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(Cl)nc1C(F)(F)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164627209 719080656 /nfs/dbraw/zinc/08/06/56/719080656.db2.gz PRYRESSUANGVLI-ZWKOTPCHSA-N 1 0 402.876 4.252 20 30 HIEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164629904 719081036 /nfs/dbraw/zinc/08/10/36/719081036.db2.gz ZVNQEGFZFGKJBN-ROUUACIJSA-N 1 0 402.876 4.252 20 30 HIEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164629053 719089706 /nfs/dbraw/zinc/08/97/06/719089706.db2.gz QPOYYEVVBRBVJC-DENIHFKCSA-N 1 0 417.557 4.039 20 30 HIEDRO N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)cnc2Cl)cc1 ZINC001164621863 719126954 /nfs/dbraw/zinc/12/69/54/719126954.db2.gz NMFRJBIBYQXKEI-MAUKXSAKSA-N 1 0 420.866 4.332 20 30 HIEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c(C#N)c(Cl)nc3cccc(C)c31)C2 ZINC001164811695 720206615 /nfs/dbraw/zinc/20/66/15/720206615.db2.gz JSSHASXSVFVSHS-HOYKHHGWSA-N 1 0 424.976 4.253 20 30 HIEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc3c(cc1C#N)CCCC3)CC2 ZINC001164838193 720711138 /nfs/dbraw/zinc/71/11/38/720711138.db2.gz HCYDWNIFROQEQO-HSZRJFAPSA-N 1 0 416.569 4.092 20 30 HIEDRO Cc1nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)cc1C#N ZINC001164836995 720728459 /nfs/dbraw/zinc/72/84/59/720728459.db2.gz CMWCEGFWFVLNQX-HXUWFJFHSA-N 1 0 410.949 4.175 20 30 HIEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(C#N)c3cc(Cl)ccc3n1)[C@@H]2C ZINC001164862937 721017296 /nfs/dbraw/zinc/01/72/96/721017296.db2.gz RWSNRMQNUXFVQE-OAHLLOKOSA-N 1 0 408.937 4.378 20 30 HIEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903124 721555241 /nfs/dbraw/zinc/55/52/41/721555241.db2.gz ARZMSLQVLCPVMZ-QUCCMNQESA-N 1 0 420.513 4.163 20 30 HIEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(C3(C#N)CCC3)cn2)CC1 ZINC001165022352 721840796 /nfs/dbraw/zinc/84/07/96/721840796.db2.gz RODVKKYLRIKRKI-UHFFFAOYSA-N 1 0 420.557 4.145 20 30 HIEDRO CN(C)CC[N@@H+]1CC[C@H]2[C@H]1CCN2c1ncc(C#N)c2sc(-c3ccccc3)cc21 ZINC001164921021 721866255 /nfs/dbraw/zinc/86/62/55/721866255.db2.gz BVOXBDWNYITFJJ-RTWAWAEBSA-N 1 0 417.582 4.050 20 30 HIEDRO N#CC1(c2ccc(N3CCC[C@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2)CCOCC1 ZINC001164996612 722206712 /nfs/dbraw/zinc/20/67/12/722206712.db2.gz UJNKGIZPCHHOEA-VWLOTQADSA-N 1 0 420.532 4.037 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2cccc(C)c2C)[n+]2cccc(CO)c2)c(C)n1C ZINC000010167937 845625541 /nfs/dbraw/zinc/62/55/41/845625541.db2.gz CDKLZIROJGAKGH-UHFFFAOYSA-O 1 0 422.574 4.089 20 30 HIEDRO CN(C)c1cc[n+](C(C(=O)c2ccc(F)cc2F)C(=S)Nc2ccccc2)cc1 ZINC000010170593 845625814 /nfs/dbraw/zinc/62/58/14/845625814.db2.gz JWNIPWWOOHXIBC-UHFFFAOYSA-O 1 0 412.485 4.369 20 30 HIEDRO CCOC(=O)c1[nH]c(C)c(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccccc2)c1C ZINC000010170927 845627244 /nfs/dbraw/zinc/62/72/44/845627244.db2.gz ZWHNRTZGYNFFAU-UHFFFAOYSA-O 1 0 422.530 4.147 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2cc(C)cc(C)c2)[n+]2cccc(CO)c2)c(C)n1C ZINC000010172569 845627343 /nfs/dbraw/zinc/62/73/43/845627343.db2.gz QCYSKHUFXHRDER-UHFFFAOYSA-O 1 0 422.574 4.089 20 30 HIEDRO CCc1ccc(NC(=S)C(C(=O)c2cc(C)n(C)c2C)[n+]2cccc(CO)c2)cc1 ZINC000010173503 845627575 /nfs/dbraw/zinc/62/75/75/845627575.db2.gz RGRBEHWOIFKGJF-UHFFFAOYSA-O 1 0 422.574 4.035 20 30 HIEDRO O=C(c1ccc2c(c1)CCC2)C(C(=S)Nc1ccccc1F)[n+]1cccc(CO)c1 ZINC000011171188 845762989 /nfs/dbraw/zinc/76/29/89/845762989.db2.gz FBPLAZSVDUPFRK-UHFFFAOYSA-O 1 0 421.517 4.145 20 30 HIEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 ZINC000012807548 845891200 /nfs/dbraw/zinc/89/12/00/845891200.db2.gz SDPRRWSJBCMMJO-UHFFFAOYSA-N 1 0 420.513 4.087 20 30 HIEDRO N#CCSc1ccccc1NC(=O)C[N@@H+](Cc1ccccc1)CC1CCOCC1 ZINC000436356516 861683544 /nfs/dbraw/zinc/68/35/44/861683544.db2.gz GUONEXNWMJZECH-UHFFFAOYSA-N 1 0 409.555 4.170 20 30 HIEDRO C=CCNC(=S)C(C(=O)c1ccccc1Br)[n+]1ccccc1CC ZINC000022687383 846604105 /nfs/dbraw/zinc/60/41/05/846604105.db2.gz QJQHYLOEHFHQNB-UHFFFAOYSA-O 1 0 404.353 4.013 20 30 HIEDRO COCCNC(=S)C(C(=O)c1ccc(Cl)s1)[n+]1ccc(C(C)(C)C)cc1 ZINC000022792766 846621682 /nfs/dbraw/zinc/62/16/82/846621682.db2.gz WJOCZOFIQVXMIA-UHFFFAOYSA-O 1 0 412.000 4.161 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1cccc(Br)c1)[n+]1ccccc1CC ZINC000022796043 846621986 /nfs/dbraw/zinc/62/19/86/846621986.db2.gz VODQAZDEWGSUER-UHFFFAOYSA-O 1 0 418.380 4.404 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc2c(c1)CCCC2 ZINC000022797655 846622821 /nfs/dbraw/zinc/62/28/21/846622821.db2.gz IDXUKEWPHWHEPI-UHFFFAOYSA-O 1 0 401.502 4.236 20 30 HIEDRO CCc1ccccc1NC(=S)C(C(=O)c1cc(C)[nH]c1C)[n+]1cccc(CO)c1 ZINC000023604459 846727388 /nfs/dbraw/zinc/72/73/88/846727388.db2.gz SFEGDEUPPGAVOR-UHFFFAOYSA-O 1 0 408.547 4.025 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1cc(C)[nH]c1C)C(=S)NCc1ccc(OC)cc1 ZINC000023603045 846727481 /nfs/dbraw/zinc/72/74/81/846727481.db2.gz DOMANVLIUWVUTC-UHFFFAOYSA-O 1 0 422.574 4.219 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccccc2F)[n+]2ccc(N(C)C)cc2)c(C)[nH]1 ZINC000023603352 846727584 /nfs/dbraw/zinc/72/75/84/846727584.db2.gz DMQRMRJXCXHZDI-UHFFFAOYSA-O 1 0 411.526 4.175 20 30 HIEDRO C=CCc1cc(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)cc(OC)c1OC ZINC000027342332 847286360 /nfs/dbraw/zinc/28/63/60/847286360.db2.gz AWBGYKZBCOPOAV-QFIPXVFZSA-N 1 0 424.541 4.008 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000028960655 847484722 /nfs/dbraw/zinc/48/47/22/847484722.db2.gz OROXOWLBYWTBFY-UHFFFAOYSA-N 1 0 417.340 4.011 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccc(-c4ccccc4)o3)CC2)cc1 ZINC000029984594 847664127 /nfs/dbraw/zinc/66/41/27/847664127.db2.gz LDMGLKDBAIVOQV-UHFFFAOYSA-N 1 0 413.521 4.485 20 30 HIEDRO C=CCc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)cc(OC)c1OC ZINC000031765851 847944911 /nfs/dbraw/zinc/94/49/11/847944911.db2.gz BGUMOWCEHGSKQE-UHFFFAOYSA-N 1 0 408.542 4.089 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H](c3ccco3)c3ccccc3)CC2)cc1 ZINC000045156000 848641568 /nfs/dbraw/zinc/64/15/68/848641568.db2.gz XNDMJTRPNIGCNA-DEOSSOPVSA-N 1 0 414.509 4.158 20 30 HIEDRO C=CCN(Cc1ccccc1)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000045787173 848728417 /nfs/dbraw/zinc/72/84/17/848728417.db2.gz OOFPADRZTUWVRR-NHCUHLMSSA-N 1 0 407.558 4.194 20 30 HIEDRO COCC[N@H+](C)CCCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000046983246 848967499 /nfs/dbraw/zinc/96/74/99/848967499.db2.gz IVUREKBNQBMGGX-HXUWFJFHSA-N 1 0 414.937 4.085 20 30 HIEDRO CSc1ccc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000047054685 848977457 /nfs/dbraw/zinc/97/74/57/848977457.db2.gz RRGLMORBHOXIQQ-GOSISDBHSA-N 1 0 408.571 4.259 20 30 HIEDRO N#Cc1ccccc1OCc1ccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)o1 ZINC000048185523 849187352 /nfs/dbraw/zinc/18/73/52/849187352.db2.gz ZGLBTDAAVHSJMO-JOCHJYFZSA-N 1 0 415.493 4.297 20 30 HIEDRO N#CCc1ccc(OC[C@H](O)C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC000051407131 849465439 /nfs/dbraw/zinc/46/54/39/849465439.db2.gz WNKCZAGAJXRJAN-HXUWFJFHSA-N 1 0 404.432 4.176 20 30 HIEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000053618735 849737991 /nfs/dbraw/zinc/73/79/91/849737991.db2.gz ZKGUQRHOFDQSLP-UHFFFAOYSA-N 1 0 407.562 4.217 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCSc4ccccc43)CC2)cc1 ZINC000053962668 849782902 /nfs/dbraw/zinc/78/29/02/849782902.db2.gz XUXINLJXKDBMEG-NRFANRHFSA-N 1 0 406.555 4.013 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)Nc1ccccc1C#N ZINC000056153333 850258078 /nfs/dbraw/zinc/25/80/78/850258078.db2.gz PLDKFVBYHYOFLW-QZTJIDSGSA-N 1 0 412.493 4.488 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153283 850258993 /nfs/dbraw/zinc/25/89/93/850258993.db2.gz FUPKRYGVTAXOBM-MOPGFXCFSA-N 1 0 418.541 4.321 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000056196586 850279630 /nfs/dbraw/zinc/27/96/30/850279630.db2.gz RBBABJJZMGGJCU-KBPBESRZSA-N 1 0 412.515 4.475 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[N@H+](CC3CCCCC3)CC2)c1C ZINC000056495745 850380070 /nfs/dbraw/zinc/38/00/70/850380070.db2.gz ZYSFSFNVWQWICJ-UHFFFAOYSA-N 1 0 410.606 4.138 20 30 HIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000056800278 850486342 /nfs/dbraw/zinc/48/63/42/850486342.db2.gz YKEIRHIWIZHIBL-UHFFFAOYSA-N 1 0 413.481 4.408 20 30 HIEDRO Cc1c2ccccc2oc1[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000056904859 850514794 /nfs/dbraw/zinc/51/47/94/850514794.db2.gz FMJIPVBUWRCAAG-SFHVURJKSA-N 1 0 404.514 4.447 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)c1C#N ZINC000058399949 850816129 /nfs/dbraw/zinc/81/61/29/850816129.db2.gz NAHSBECUNMAUMA-UHFFFAOYSA-N 1 0 420.582 4.255 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000058428354 850822296 /nfs/dbraw/zinc/82/22/96/850822296.db2.gz NCFFUBJTDMPHJN-UHFFFAOYSA-N 1 0 420.557 4.300 20 30 HIEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)o1 ZINC000058879338 850949761 /nfs/dbraw/zinc/94/97/61/850949761.db2.gz FSVHRJOJHBWGJK-UHFFFAOYSA-N 1 0 421.541 4.458 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccccc1-c1ccccc1 ZINC000060575837 851153788 /nfs/dbraw/zinc/15/37/88/851153788.db2.gz QTDKVAYOYOBKQC-UHFFFAOYSA-N 1 0 413.521 4.194 20 30 HIEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000060693066 851193589 /nfs/dbraw/zinc/19/35/89/851193589.db2.gz IHISXFZJCZKZHB-HXUWFJFHSA-N 1 0 405.542 4.379 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(Cn3ccccc3=O)cc2)ccc1OC ZINC000060949776 851255381 /nfs/dbraw/zinc/25/53/81/851255381.db2.gz MZIBRGBEUAWRMG-UHFFFAOYSA-N 1 0 404.510 4.150 20 30 HIEDRO CCC[N@H+](CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)Cc1ccc(C#N)cc1 ZINC000061001752 851269978 /nfs/dbraw/zinc/26/99/78/851269978.db2.gz PRFBVWOBAPNYTQ-QHCPKHFHSA-N 1 0 421.541 4.151 20 30 HIEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000061503664 851391165 /nfs/dbraw/zinc/39/11/65/851391165.db2.gz DANJXJKRVOKJSG-UHFFFAOYSA-N 1 0 421.589 4.039 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c1C#N ZINC000061571740 851406912 /nfs/dbraw/zinc/40/69/12/851406912.db2.gz PXNQDFQILFTFNT-UHFFFAOYSA-N 1 0 424.595 4.354 20 30 HIEDRO N#Cc1cc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)ccc1OCC(F)(F)F ZINC000063391312 851674596 /nfs/dbraw/zinc/67/45/96/851674596.db2.gz XIYYTNUYAPXZAA-UHFFFAOYSA-N 1 0 424.467 4.275 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000064244598 851857127 /nfs/dbraw/zinc/85/71/27/851857127.db2.gz PQGZRIBNIRTOBL-UHFFFAOYSA-N 1 0 408.571 4.230 20 30 HIEDRO COc1cc([C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc(OC)c1OC ZINC000437111759 862298437 /nfs/dbraw/zinc/29/84/37/862298437.db2.gz ROXKAGDZQGJUSS-VNCLNFNDSA-N 1 0 411.502 4.020 20 30 HIEDRO Cn1ccc([C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)c2ccc(Cl)cc2)n1 ZINC000437107201 862295487 /nfs/dbraw/zinc/29/54/87/862295487.db2.gz OZFUQRVTEBCUFC-AOMIVXANSA-N 1 0 421.932 4.409 20 30 HIEDRO COc1ccc(C[NH2+]Cc2ccc(-n3ccnc3C)c(F)c2)cc1OCCCC#N ZINC000064614350 851940727 /nfs/dbraw/zinc/94/07/27/851940727.db2.gz YICGTFJRHIKVCY-UHFFFAOYSA-N 1 0 408.477 4.301 20 30 HIEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000078916776 852534315 /nfs/dbraw/zinc/53/43/15/852534315.db2.gz RJFCHGSZUFXFTH-SFHVURJKSA-N 1 0 409.530 4.361 20 30 HIEDRO C=C(C)C[N@@H+](CC)CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000096954697 852562267 /nfs/dbraw/zinc/56/22/67/852562267.db2.gz PLPPKEWSVCRIOQ-JOCHJYFZSA-N 1 0 405.542 4.323 20 30 HIEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000097357287 852604839 /nfs/dbraw/zinc/60/48/39/852604839.db2.gz CJFAHPCPSUCWTJ-IBGZPJMESA-N 1 0 419.447 4.176 20 30 HIEDRO CCC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000112523620 853231497 /nfs/dbraw/zinc/23/14/97/853231497.db2.gz NKEMAUBRTYWASP-QHCPKHFHSA-N 1 0 404.558 4.263 20 30 HIEDRO CCCn1c(C)cc(C(O)=CONC(=[NH2+])c2ccc(OCc3cccnc3)cc2)c1C ZINC000116104328 853283351 /nfs/dbraw/zinc/28/33/51/853283351.db2.gz UVXUVXVJPKSLSJ-UHFFFAOYSA-N 1 0 420.513 4.009 20 30 HIEDRO COc1ccc2[nH]cc(C3CC[NH+](CCC(=O)Nc4sccc4C#N)CC3)c2c1 ZINC000142126967 853488433 /nfs/dbraw/zinc/48/84/33/853488433.db2.gz ZIMMQNDKWJWKMF-UHFFFAOYSA-N 1 0 408.527 4.318 20 30 HIEDRO COc1ccc2[nH]cc(C3CC[NH+]([C@H](C)C(=O)Nc4ccccc4C#N)CC3)c2c1 ZINC000142131718 853488452 /nfs/dbraw/zinc/48/84/52/853488452.db2.gz CQAYQQNOROOCJR-MRXNPFEDSA-N 1 0 402.498 4.255 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)ccc1OC ZINC000142956382 853505333 /nfs/dbraw/zinc/50/53/33/853505333.db2.gz HYXSAUJDXLWJQF-QFIPXVFZSA-N 1 0 410.514 4.057 20 30 HIEDRO COc1ccc(C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)cc1OCCCC#N ZINC000147195277 853584003 /nfs/dbraw/zinc/58/40/03/853584003.db2.gz XEMCAHYFTKXZLZ-GOSISDBHSA-N 1 0 407.514 4.355 20 30 HIEDRO CCc1c(C(=O)C(C(=S)NC(C)(C)CC)[n+]2ccccc2)[nH]c(C)c1C(C)=O ZINC000186981513 853669313 /nfs/dbraw/zinc/66/93/13/853669313.db2.gz XWCMVPIYTJWQHU-UHFFFAOYSA-O 1 0 400.568 4.093 20 30 HIEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H](C)c2ccccc2)c1C#N ZINC000216198629 853846909 /nfs/dbraw/zinc/84/69/09/853846909.db2.gz AIFGIUMBZSJWHG-KRWDZBQOSA-N 1 0 404.489 4.453 20 30 HIEDRO CCOc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)ccc1OCC(=O)N1CCCCC1 ZINC000237015189 853951264 /nfs/dbraw/zinc/95/12/64/853951264.db2.gz DKCCPNBNPQZCMA-LJQANCHMSA-N 1 0 421.541 4.199 20 30 HIEDRO COc1cc(C[NH2+]Cc2cccc(C#N)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237108410 853966377 /nfs/dbraw/zinc/96/63/77/853966377.db2.gz NHUFITQJLKDUGV-UHFFFAOYSA-N 1 0 403.438 4.344 20 30 HIEDRO C[C@@H](NC1(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)CCOCC1)c1ccccc1 ZINC000237404332 854024521 /nfs/dbraw/zinc/02/45/21/854024521.db2.gz QAKAZFIUAZUGDG-OAQYLSRUSA-N 1 0 406.574 4.026 20 30 HIEDRO C=CCOc1cccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2C)c1 ZINC000237563083 854054877 /nfs/dbraw/zinc/05/48/77/854054877.db2.gz XGJYBRVDKQWFSB-UHFFFAOYSA-N 1 0 403.320 4.441 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCc2nccn2Cc2ccccc2)c(-c2ccccc2)n1 ZINC000237830293 854105724 /nfs/dbraw/zinc/10/57/24/854105724.db2.gz SBGNIKZXWXUXPF-UHFFFAOYSA-N 1 0 410.525 4.041 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cccc(OCc4ccccc4F)c3)CC2)nc1 ZINC000237837156 854106619 /nfs/dbraw/zinc/10/66/19/854106619.db2.gz KSUAGSPROYIHQX-UHFFFAOYSA-N 1 0 416.500 4.430 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cccc(OCc4ccccc4C#N)c3)CC2)nc1 ZINC000237851553 854107658 /nfs/dbraw/zinc/10/76/58/854107658.db2.gz WXXGUKZVHYDROK-UHFFFAOYSA-N 1 0 423.520 4.163 20 30 HIEDRO Cn1c(CC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)nc2cc(F)ccc21 ZINC000237854450 854108112 /nfs/dbraw/zinc/10/81/12/854108112.db2.gz QDDSHMHWOFXCSQ-UHFFFAOYSA-N 1 0 414.484 4.495 20 30 HIEDRO Cn1c(CC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)nc2cc(F)ccc21 ZINC000237854371 854108585 /nfs/dbraw/zinc/10/85/85/854108585.db2.gz IROBHBJZTLJZDF-UHFFFAOYSA-N 1 0 414.484 4.495 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]CC3=Cc4cc(Cl)cc(Cl)c4OC3)CC2)nc1 ZINC000237906534 854117791 /nfs/dbraw/zinc/11/77/91/854117791.db2.gz YPPJPDZAXAZPKL-UHFFFAOYSA-N 1 0 415.324 4.294 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)c1 ZINC000237915455 854118827 /nfs/dbraw/zinc/11/88/27/854118827.db2.gz QIOPHCJCMNSZHE-UHFFFAOYSA-N 1 0 415.493 4.125 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)c(-c2ccccc2)n1 ZINC000238138528 854147327 /nfs/dbraw/zinc/14/73/27/854147327.db2.gz QACKNNQGBMZBCD-UHFFFAOYSA-N 1 0 413.525 4.492 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000247648474 854159043 /nfs/dbraw/zinc/15/90/43/854159043.db2.gz LLRJZVRNOMWHNI-UHFFFAOYSA-N 1 0 402.325 4.142 20 30 HIEDRO CC[N@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000249965680 854192425 /nfs/dbraw/zinc/19/24/25/854192425.db2.gz NPZOYMYISYZCDP-VGOFRKELSA-N 1 0 404.539 4.303 20 30 HIEDRO Cc1cc(C)c(NC(=O)[C@H](C)O[NH+]=Cc2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000255496781 854217046 /nfs/dbraw/zinc/21/70/46/854217046.db2.gz ZTTKZIWBUQKDAE-KRWDZBQOSA-N 1 0 415.921 4.171 20 30 HIEDRO CCN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000261396541 854247342 /nfs/dbraw/zinc/24/73/42/854247342.db2.gz SMHBMKNAZIVPAH-DYESRHJHSA-N 1 0 410.949 4.308 20 30 HIEDRO COc1ccc(C[NH+]2CCC(CNc3nc(C(F)(F)F)ccc3C#N)CC2)cc1 ZINC000301310589 854354406 /nfs/dbraw/zinc/35/44/06/854354406.db2.gz ZXOXUHUMGQNTNW-UHFFFAOYSA-N 1 0 404.436 4.305 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301680877 854443379 /nfs/dbraw/zinc/44/33/79/854443379.db2.gz SSXPFYLEEIQHKH-KRWDZBQOSA-N 1 0 407.518 4.496 20 30 HIEDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1F ZINC000302764167 854626024 /nfs/dbraw/zinc/62/60/24/854626024.db2.gz SSDREDQTCCFVFR-ZDUSSCGKSA-N 1 0 401.507 4.326 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000303128354 854774751 /nfs/dbraw/zinc/77/47/51/854774751.db2.gz ARZHSQHGGDWSMB-HSZRJFAPSA-N 1 0 410.606 4.138 20 30 HIEDRO N#Cc1ccsc1NC(=O)CC[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000303183251 854805155 /nfs/dbraw/zinc/80/51/55/854805155.db2.gz LCTLBKVZRSMRMJ-UHFFFAOYSA-N 1 0 404.333 4.380 20 30 HIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000303230807 854827576 /nfs/dbraw/zinc/82/75/76/854827576.db2.gz VLRAADZSJZEQMF-DEOSSOPVSA-N 1 0 404.558 4.044 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(COc3cccc(Br)c3)o2)CC1 ZINC000303332312 854877158 /nfs/dbraw/zinc/87/71/58/854877158.db2.gz XAOZSCNQBZLIIP-UHFFFAOYSA-N 1 0 419.319 4.001 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000303378679 854899956 /nfs/dbraw/zinc/89/99/56/854899956.db2.gz LZGJUIJWLWSQSC-IBGZPJMESA-N 1 0 414.619 4.075 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000303435146 854935404 /nfs/dbraw/zinc/93/54/04/854935404.db2.gz GSVMYPJNBGEPJG-LEWJYISDSA-N 1 0 415.459 4.271 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccc(F)cc1 ZINC000303568500 855045573 /nfs/dbraw/zinc/04/55/73/855045573.db2.gz BDJUQYJQTZXMTJ-DEOSSOPVSA-N 1 0 417.484 4.309 20 30 HIEDRO Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000303587524 855061403 /nfs/dbraw/zinc/06/14/03/855061403.db2.gz GRLRJRQVERYNRV-UHFFFAOYSA-N 1 0 419.550 4.074 20 30 HIEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@@H](C)C1 ZINC000303593130 855066079 /nfs/dbraw/zinc/06/60/79/855066079.db2.gz IGNCPHUZUTUQHE-CYFREDJKSA-N 1 0 421.541 4.217 20 30 HIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000303661354 855114419 /nfs/dbraw/zinc/11/44/19/855114419.db2.gz VSGZFFIQWVFZHB-RJGXRXQPSA-N 1 0 410.606 4.217 20 30 HIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000303665068 855116882 /nfs/dbraw/zinc/11/68/82/855116882.db2.gz FAYLSIHNFKATIK-PBHICJAKSA-N 1 0 413.319 4.127 20 30 HIEDRO CCCNC(=O)c1cccc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000303872246 855262266 /nfs/dbraw/zinc/26/22/66/855262266.db2.gz BXEIXLZFNWRMHE-ZDUSSCGKSA-N 1 0 407.345 4.299 20 30 HIEDRO C[C@@H](NC(=[NH2+])NCc1cccc(CN2CCCC2=O)c1)c1ccc(Cl)cc1Cl ZINC000303875372 855264638 /nfs/dbraw/zinc/26/46/38/855264638.db2.gz DJJIWRTYCRGHQE-CQSZACIVSA-N 1 0 419.356 4.281 20 30 HIEDRO [NH2+]=C(NCc1cccc(NC(=O)N2CCCC2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303877717 855265500 /nfs/dbraw/zinc/26/55/00/855265500.db2.gz IWBNFXAZVKCNJI-UHFFFAOYSA-N 1 0 421.423 4.140 20 30 HIEDRO CC1CCN(c2ccc(CNC(=[NH2+])Nc3ccc(OC(F)(F)F)cc3)cn2)CC1 ZINC000303881410 855267583 /nfs/dbraw/zinc/26/75/83/855267583.db2.gz HSEVDRDIHKDKMU-UHFFFAOYSA-N 1 0 407.440 4.143 20 30 HIEDRO CC[C@H](C)C(=O)Nc1cccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000303894822 855274831 /nfs/dbraw/zinc/27/48/31/855274831.db2.gz PBYFHBYOMIEPGY-ZDUSSCGKSA-N 1 0 408.424 4.497 20 30 HIEDRO CC(C)NC(=O)Nc1ccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000303905495 855280611 /nfs/dbraw/zinc/28/06/11/855280611.db2.gz ZLPVVWOXYHMFNI-UHFFFAOYSA-N 1 0 409.412 4.042 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCC(C)(C)c2cccc(Br)c2)cc1OC ZINC000303976531 855332965 /nfs/dbraw/zinc/33/29/65/855332965.db2.gz KHHYKQRIILCEPE-UHFFFAOYSA-N 1 0 406.324 4.171 20 30 HIEDRO CCOc1ccccc1Oc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cn1 ZINC000304472009 855355373 /nfs/dbraw/zinc/35/53/73/855355373.db2.gz FGSLVBBXXSBKTL-IBGZPJMESA-N 1 0 418.497 4.201 20 30 HIEDRO [NH2+]=C(NC[C@H](c1cccs1)N1CCOCC1)Nc1cccc(Oc2ccccc2)c1 ZINC000304494886 855356508 /nfs/dbraw/zinc/35/65/08/855356508.db2.gz PDHDTZRZNPYCRP-OAQYLSRUSA-N 1 0 422.554 4.341 20 30 HIEDRO COc1ccc(OC(F)F)c(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000305025685 855358584 /nfs/dbraw/zinc/35/85/84/855358584.db2.gz PGXOIUXOPFPUBK-UHFFFAOYSA-N 1 0 405.323 4.122 20 30 HIEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000390580401 855456441 /nfs/dbraw/zinc/45/64/41/855456441.db2.gz ZCXNHUMGALPJCJ-NRFANRHFSA-N 1 0 413.359 4.215 20 30 HIEDRO CCN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000409814869 855668129 /nfs/dbraw/zinc/66/81/29/855668129.db2.gz YXRYASIZHQNAGL-CVDCTZTESA-N 1 0 413.525 4.042 20 30 HIEDRO N#CC1(CCC[NH+]2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)CCOCC1 ZINC000410349966 855942638 /nfs/dbraw/zinc/94/26/38/855942638.db2.gz RTHRRMMDDASLMN-FQEVSTJZSA-N 1 0 401.938 4.188 20 30 HIEDRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000410371975 855958061 /nfs/dbraw/zinc/95/80/61/855958061.db2.gz LVBBWDFANMADAT-FQEVSTJZSA-N 1 0 407.558 4.348 20 30 HIEDRO FC(F)(F)c1ccc(C#CC[NH+]2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000427013921 856595681 /nfs/dbraw/zinc/59/56/81/856595681.db2.gz FEOLXUCGTBUCHM-UHFFFAOYSA-N 1 0 412.253 4.353 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@H+](CCc2ccccc2)[C@H]2CCOC2)sc2c1CCCC2 ZINC000437513385 862861627 /nfs/dbraw/zinc/86/16/27/862861627.db2.gz HHAXOVGQJZBJAL-IBGZPJMESA-N 1 0 423.582 4.161 20 30 HIEDRO COC(=O)[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc2ccccc2c1 ZINC000428394493 857188123 /nfs/dbraw/zinc/18/81/23/857188123.db2.gz BDLAVEJTFFODRR-RUZDIDTESA-N 1 0 413.521 4.180 20 30 HIEDRO Cc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000428810943 857355031 /nfs/dbraw/zinc/35/50/31/857355031.db2.gz YYVGVIUWLNOIKO-FQEVSTJZSA-N 1 0 405.889 4.025 20 30 HIEDRO CS(=O)(=O)CC[C@@H]1CCCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000428856477 857374115 /nfs/dbraw/zinc/37/41/15/857374115.db2.gz LSVYUIKDSFVXET-QHCPKHFHSA-N 1 0 410.583 4.176 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000429122931 857520982 /nfs/dbraw/zinc/52/09/82/857520982.db2.gz RVMGRBDHMGRMMP-VTJXTGGHSA-N 1 0 415.584 4.373 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429408536 857649752 /nfs/dbraw/zinc/64/97/52/857649752.db2.gz XAVFNYPDJBYNTQ-SJORKVTESA-N 1 0 414.619 4.022 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(c4ccncc4)CC3)sc2C1 ZINC000429545374 857736778 /nfs/dbraw/zinc/73/67/78/857736778.db2.gz CLRUWNGMCRTHFQ-INIZCTEOSA-N 1 0 408.571 4.348 20 30 HIEDRO CCc1ccc([C@@H](CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)[NH+](C)C)cc1 ZINC000429717447 857848459 /nfs/dbraw/zinc/84/84/59/857848459.db2.gz CDDXDZLOFIHKIT-HSZRJFAPSA-N 1 0 415.541 4.059 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccnn2Cc2cccc3ccccc32)CC1 ZINC000429732252 857854818 /nfs/dbraw/zinc/85/48/18/857854818.db2.gz POYNBVVQTIDRKO-UHFFFAOYSA-N 1 0 403.530 4.247 20 30 HIEDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1 ZINC000429988967 857985914 /nfs/dbraw/zinc/98/59/14/857985914.db2.gz YQMCQIFBQKAFMO-UHFFFAOYSA-N 1 0 415.541 4.234 20 30 HIEDRO CCOc1c(Br)cc(Br)cc1C[NH2+]CC1(CC#N)CC1 ZINC000430069744 858018905 /nfs/dbraw/zinc/01/89/05/858018905.db2.gz ZPHBKDSAYYKCKO-UHFFFAOYSA-N 1 0 402.130 4.394 20 30 HIEDRO C[C@@H]1C[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000430652265 858249324 /nfs/dbraw/zinc/24/93/24/858249324.db2.gz HLTFXYFUKOAUEK-OFNKIYASSA-N 1 0 405.542 4.277 20 30 HIEDRO C[C@@H]1C[C@H](NC(=O)CCCCOc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000430652261 858249733 /nfs/dbraw/zinc/24/97/33/858249733.db2.gz HLTFXYFUKOAUEK-NFBKMPQASA-N 1 0 405.542 4.277 20 30 HIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430671299 858261278 /nfs/dbraw/zinc/26/12/78/858261278.db2.gz WJNNOFOMGUZJFR-APTRMMRNSA-N 1 0 405.542 4.131 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430765096 858296281 /nfs/dbraw/zinc/29/62/81/858296281.db2.gz DUSWLHZAWUOWHM-UMEGOILYSA-N 1 0 406.526 4.296 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431673269 858730225 /nfs/dbraw/zinc/73/02/25/858730225.db2.gz MHQIMYWLYPUWCB-OFNKIYASSA-N 1 0 407.558 4.446 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431673267 858730237 /nfs/dbraw/zinc/73/02/37/858730237.db2.gz MHQIMYWLYPUWCB-NFBKMPQASA-N 1 0 407.558 4.446 20 30 HIEDRO CC1(C)C[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000432150406 859017054 /nfs/dbraw/zinc/01/70/54/859017054.db2.gz MHEJUTAJLGRLHL-HSZRJFAPSA-N 1 0 402.542 4.198 20 30 HIEDRO Cc1c(C#N)cccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000432259053 859072102 /nfs/dbraw/zinc/07/21/02/859072102.db2.gz NHLGYWYGMGHAIL-UHFFFAOYSA-N 1 0 404.436 4.481 20 30 HIEDRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)cc1OC ZINC000433030258 859489556 /nfs/dbraw/zinc/48/95/56/859489556.db2.gz JGEDTDJFICJUEJ-FGZHOGPDSA-N 1 0 421.541 4.392 20 30 HIEDRO C[NH+](C)[C@H]1CCOc2c(NCc3cn(CCC#N)nc3-c3ccccc3)cccc21 ZINC000433206877 859567127 /nfs/dbraw/zinc/56/71/27/859567127.db2.gz PGDLQXWUQHGGEC-QFIPXVFZSA-N 1 0 401.514 4.461 20 30 HIEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(c3ncc4n3CCCC4)CC2)c1 ZINC000433217018 859572489 /nfs/dbraw/zinc/57/24/89/859572489.db2.gz CSTPLEZRFMBKMM-UHFFFAOYSA-N 1 0 415.444 4.104 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCOc2cccc(C(F)(F)F)c2)c(-c2ccncc2)n1 ZINC000433310524 859631188 /nfs/dbraw/zinc/63/11/88/859631188.db2.gz CHGNUEGARHPMFO-UHFFFAOYSA-N 1 0 415.419 4.046 20 30 HIEDRO N#CCCN(C(=O)C[NH2+][C@H](c1ccccc1)C1(CO)CCC1)c1cccc(Cl)c1 ZINC000433317123 859635478 /nfs/dbraw/zinc/63/54/78/859635478.db2.gz KCFUPPWILAJTNF-JOCHJYFZSA-N 1 0 411.933 4.080 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)c(-c2ccncc2)n1 ZINC000433319421 859637479 /nfs/dbraw/zinc/63/74/79/859637479.db2.gz OIPXOBSHMBRWSH-UHFFFAOYSA-N 1 0 401.392 4.047 20 30 HIEDRO N#CCCn1cc(C[NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(-c2ccncc2)n1 ZINC000433339446 859653513 /nfs/dbraw/zinc/65/35/13/859653513.db2.gz LIIWKPPNRPNQEO-YADHBBJMSA-N 1 0 405.477 4.008 20 30 HIEDRO Cn1cc(C#N)cc1C(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000433716466 859850839 /nfs/dbraw/zinc/85/08/39/859850839.db2.gz BZQRZNARHOBPMD-UHFFFAOYSA-N 1 0 400.526 4.080 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 ZINC000434134224 860134136 /nfs/dbraw/zinc/13/41/36/860134136.db2.gz HGRCBBTWTAXIPQ-NRFANRHFSA-N 1 0 407.961 4.163 20 30 HIEDRO COc1cc([C@@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)ccc1OCC(C)C ZINC000434881806 860532872 /nfs/dbraw/zinc/53/28/72/860532872.db2.gz YAYSZSBHFCLJKS-QAPCUYQASA-N 1 0 413.543 4.119 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(COc3ccc(Cl)cc3Cl)on2)CC1 ZINC000435015300 860598875 /nfs/dbraw/zinc/59/88/75/860598875.db2.gz GZWIEFRWKUQQRF-UHFFFAOYSA-N 1 0 424.328 4.331 20 30 HIEDRO COc1ccc(C2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC2)cc1 ZINC000435123502 860651189 /nfs/dbraw/zinc/65/11/89/860651189.db2.gz HGCAGZYJHNYMQS-UHFFFAOYSA-N 1 0 401.514 4.247 20 30 HIEDRO COc1ccccc1CC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000435128497 860653788 /nfs/dbraw/zinc/65/37/88/860653788.db2.gz DOKRWBFYTWLUEH-UHFFFAOYSA-N 1 0 415.541 4.322 20 30 HIEDRO N#CCCn1cc(C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)c(-c2ccncc2)n1 ZINC000435131277 860655068 /nfs/dbraw/zinc/65/50/68/860655068.db2.gz CNXAQPFVHPCXIW-XMMPIXPASA-N 1 0 415.541 4.121 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000437988465 863351602 /nfs/dbraw/zinc/35/16/02/863351602.db2.gz RMQKWTMYIQJBHW-NVXWUHKLSA-N 1 0 406.477 4.278 20 30 HIEDRO CCOc1cccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1OC(F)F ZINC000438469640 863889515 /nfs/dbraw/zinc/88/95/15/863889515.db2.gz WRVDHLSGPREJPR-UHFFFAOYSA-N 1 0 417.456 4.433 20 30 HIEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000438494863 863913372 /nfs/dbraw/zinc/91/33/72/863913372.db2.gz PBFZADGYRFALMY-UHFFFAOYSA-N 1 0 401.514 4.236 20 30 HIEDRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1C(F)(F)F ZINC000438545903 863974239 /nfs/dbraw/zinc/97/42/39/863974239.db2.gz BZAIBFINPLVJKJ-UHFFFAOYSA-N 1 0 404.436 4.481 20 30 HIEDRO C=CCc1cc(C(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc(OC)c1OC ZINC000438553000 863983254 /nfs/dbraw/zinc/98/32/54/863983254.db2.gz PXNRYEHMIJYGLU-UHFFFAOYSA-N 1 0 408.542 4.169 20 30 HIEDRO N#Cc1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000438636255 864067857 /nfs/dbraw/zinc/06/78/57/864067857.db2.gz KBQBKUJRTYSMJC-GOSISDBHSA-N 1 0 402.420 4.363 20 30 HIEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NC2CC[NH+](CC3CC3)CC2)cc1F ZINC000438647601 864087877 /nfs/dbraw/zinc/08/78/77/864087877.db2.gz HOPVKUNNJNTWDU-UHFFFAOYSA-N 1 0 408.477 4.486 20 30 HIEDRO Cc1ccc([C@H](CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[NH+]2CCCC2)o1 ZINC000438655094 864095609 /nfs/dbraw/zinc/09/56/09/864095609.db2.gz XIXCFHMWETZAJG-KRWDZBQOSA-N 1 0 406.408 4.437 20 30 HIEDRO Cc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[NH+]2CCCC2)o1 ZINC000438655095 864096305 /nfs/dbraw/zinc/09/63/05/864096305.db2.gz XIXCFHMWETZAJG-QGZVFWFLSA-N 1 0 406.408 4.437 20 30 HIEDRO Cc1oc(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CCC2)c(C#N)c1C ZINC000438734192 864218017 /nfs/dbraw/zinc/21/80/17/864218017.db2.gz KQZVUXNDRSRAAK-UHFFFAOYSA-N 1 0 402.292 4.138 20 30 HIEDRO CCCc1c(NC2CC[NH+](Cc3cccnc3)CC2)cnn1-c1cccc(C#N)c1 ZINC000439054803 864506720 /nfs/dbraw/zinc/50/67/20/864506720.db2.gz GJYJGQMEVNNZLD-UHFFFAOYSA-N 1 0 400.530 4.168 20 30 HIEDRO C[NH+](C)CC1(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CCC1 ZINC000439517520 864860276 /nfs/dbraw/zinc/86/02/76/864860276.db2.gz RGZOIEZXHYDRPJ-UHFFFAOYSA-N 1 0 412.921 4.396 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)ccc1Br ZINC000467952898 881818187 /nfs/dbraw/zinc/81/81/87/881818187.db2.gz QFHCGHGDVCHSDF-UHFFFAOYSA-N 1 0 419.298 4.056 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+]CC1(c2ccccc2)CCCC1 ZINC000439558019 864883278 /nfs/dbraw/zinc/88/32/78/864883278.db2.gz QLSWFBFBNPJMDQ-HXUWFJFHSA-N 1 0 405.542 4.432 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000439579876 864901030 /nfs/dbraw/zinc/90/10/30/864901030.db2.gz HDNHFKYPBPOPRQ-UXHICEINSA-N 1 0 422.495 4.144 20 30 HIEDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000439618144 864940371 /nfs/dbraw/zinc/94/03/71/864940371.db2.gz XMFWVGDJBZYZJZ-LLBUTXAOSA-N 1 0 401.576 4.009 20 30 HIEDRO CCCc1c(NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cnn1-c1cccc(C#N)c1 ZINC000439683994 865020032 /nfs/dbraw/zinc/02/00/32/865020032.db2.gz VPTXHJUTPNUGFQ-HXUWFJFHSA-N 1 0 422.577 4.186 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000440164266 865392875 /nfs/dbraw/zinc/39/28/75/865392875.db2.gz XTZBJFXPHPPHLT-QGZVFWFLSA-N 1 0 412.361 4.197 20 30 HIEDRO C[C@@H]([NH2+]C1(CNC(=O)N[C@H](CCC#N)c2ccccc2)CCOCC1)c1ccccc1 ZINC000440238396 865475345 /nfs/dbraw/zinc/47/53/45/865475345.db2.gz BXUFZWKVUISFQQ-NFBKMPQASA-N 1 0 420.557 4.231 20 30 HIEDRO C[C@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc(C#N)c(F)c1 ZINC000468049618 881875592 /nfs/dbraw/zinc/87/55/92/881875592.db2.gz OLGLVXYIVVYVMC-GUYCJALGSA-N 1 0 405.395 4.168 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Cl)cc2-c2nc(CC(C)C)no2)CC1 ZINC000440291339 865544222 /nfs/dbraw/zinc/54/42/22/865544222.db2.gz KTMAXMFNGAIMNH-UHFFFAOYSA-N 1 0 417.941 4.360 20 30 HIEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000440822048 865938261 /nfs/dbraw/zinc/93/82/61/865938261.db2.gz JZCIHEPCOQWWEG-QFIPXVFZSA-N 1 0 406.530 4.064 20 30 HIEDRO COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000441286003 866360477 /nfs/dbraw/zinc/36/04/77/866360477.db2.gz YYGJFWKHFHNFCX-XZOQPEGZSA-N 1 0 406.526 4.394 20 30 HIEDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000441286000 866360711 /nfs/dbraw/zinc/36/07/11/866360711.db2.gz YYGJFWKHFHNFCX-DHIUTWEWSA-N 1 0 406.526 4.394 20 30 HIEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000441329818 866401650 /nfs/dbraw/zinc/40/16/50/866401650.db2.gz DTMXVXDBXLXXGR-WZONZLPQSA-N 1 0 408.521 4.364 20 30 HIEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@H]1c1ccccc1 ZINC000442182754 867205427 /nfs/dbraw/zinc/20/54/27/867205427.db2.gz RIONHRLWOGFNPG-FUHWJXTLSA-N 1 0 404.392 4.024 20 30 HIEDRO C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000442197731 867220202 /nfs/dbraw/zinc/22/02/02/867220202.db2.gz XNFOVLNJOWNUGJ-UONOGXRCSA-N 1 0 410.440 4.231 20 30 HIEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443010380 867790561 /nfs/dbraw/zinc/79/05/61/867790561.db2.gz DKVBFVYWGKIHCG-SJLPKXTDSA-N 1 0 417.962 4.058 20 30 HIEDRO N#CCSCCC[N@H+]1CCC[C@@H]1c1nc(-c2ccccc2Br)no1 ZINC000443307187 867897710 /nfs/dbraw/zinc/89/77/10/867897710.db2.gz BVMCVJUUNNVSMJ-OAHLLOKOSA-N 1 0 407.337 4.283 20 30 HIEDRO CC1CC[NH+]([C@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)c2cccs2)CC1 ZINC000468244685 882145999 /nfs/dbraw/zinc/14/59/99/882145999.db2.gz CQZNMWNEMWYAFK-HXUWFJFHSA-N 1 0 420.538 4.478 20 30 HIEDRO C[C@H]1C[NH+](CCCCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@H](C)O1 ZINC000443661040 868265053 /nfs/dbraw/zinc/26/50/53/868265053.db2.gz ZZGUNGFSLPRCGQ-PMACEKPBSA-N 1 0 421.541 4.164 20 30 HIEDRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+]Cc3ccc(C#N)c(C)c3)c2)cc1 ZINC000443996921 868518240 /nfs/dbraw/zinc/51/82/40/868518240.db2.gz LBBSBZXANCGFSB-UHFFFAOYSA-N 1 0 415.493 4.296 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000444174818 868649155 /nfs/dbraw/zinc/64/91/55/868649155.db2.gz HTIMHQMFVFRSAO-ISKFKSNPSA-N 1 0 419.569 4.477 20 30 HIEDRO Cc1ccc([C@H]2CCC[C@@H]2[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000444248082 868695075 /nfs/dbraw/zinc/69/50/75/868695075.db2.gz VWEVALJHIUZIOS-PKTZIBPZSA-N 1 0 413.525 4.259 20 30 HIEDRO CN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000444298738 868728928 /nfs/dbraw/zinc/72/89/28/868728928.db2.gz YSHAQGGDWNGKHE-NRFANRHFSA-N 1 0 400.526 4.292 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(OCc2cccc(F)c2)c(F)c1 ZINC000444388530 868804191 /nfs/dbraw/zinc/80/41/91/868804191.db2.gz KQFYJEIWCSBQKB-UHFFFAOYSA-N 1 0 416.472 4.243 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445880549 869870392 /nfs/dbraw/zinc/87/03/92/869870392.db2.gz OHIYLCUFELQHSV-OAHLLOKOSA-N 1 0 420.332 4.166 20 30 HIEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H]1CCOc2ccc(Br)cc21 ZINC000445894700 869876445 /nfs/dbraw/zinc/87/64/45/869876445.db2.gz RCSVISCQCUJKGV-SFHVURJKSA-N 1 0 414.303 4.105 20 30 HIEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1 ZINC000445988446 869952554 /nfs/dbraw/zinc/95/25/54/869952554.db2.gz ODIDMAALJPSFHV-AZUAARDMSA-N 1 0 422.472 4.277 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC#Cc1ccccc1Cl ZINC000446981561 870876806 /nfs/dbraw/zinc/87/68/06/870876806.db2.gz QZEWQGZWLXLHMG-UHFFFAOYSA-N 1 0 400.979 4.290 20 30 HIEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448285559 872213115 /nfs/dbraw/zinc/21/31/15/872213115.db2.gz MKQFSBCFSXOZHG-BEFAXECRSA-N 1 0 408.464 4.359 20 30 HIEDRO CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460283803 872872164 /nfs/dbraw/zinc/87/21/64/872872164.db2.gz OJSALGRXNBKIAK-AUSIDOKSSA-N 1 0 414.557 4.326 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000460374708 873011886 /nfs/dbraw/zinc/01/18/86/873011886.db2.gz MBKLGEQCSSZVMQ-RCZVLFRGSA-N 1 0 421.589 4.198 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460556457 873276212 /nfs/dbraw/zinc/27/62/12/873276212.db2.gz HHGLUNQHNCUREY-VQIMIIECSA-N 1 0 415.969 4.321 20 30 HIEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460765675 873608367 /nfs/dbraw/zinc/60/83/67/873608367.db2.gz DEJLQGJLCHHBLR-AZUAARDMSA-N 1 0 418.545 4.239 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460781274 873636553 /nfs/dbraw/zinc/63/65/53/873636553.db2.gz JAYDXMRVMJDRFU-BJLQDIEVSA-N 1 0 415.557 4.300 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000460801072 873673400 /nfs/dbraw/zinc/67/34/00/873673400.db2.gz ACFUWRSSDJALAL-UHFFFAOYSA-N 1 0 412.541 4.105 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460803830 873677438 /nfs/dbraw/zinc/67/74/38/873677438.db2.gz HGHFQSVBJQICQE-HKBOAZHASA-N 1 0 415.626 4.228 20 30 HIEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460960252 873857315 /nfs/dbraw/zinc/85/73/15/873857315.db2.gz RDTHCLNLKVMGIB-UHFFFAOYSA-N 1 0 404.562 4.380 20 30 HIEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460964156 873860418 /nfs/dbraw/zinc/86/04/18/873860418.db2.gz RKMPTPSMDYJXPE-QFIPXVFZSA-N 1 0 418.589 4.312 20 30 HIEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C[C@@H]1C ZINC000461315701 874323499 /nfs/dbraw/zinc/32/34/99/874323499.db2.gz CZWDJUUGYNJWFB-PXNSSMCTSA-N 1 0 420.586 4.236 20 30 HIEDRO C[C@@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)c1cccc(C#N)c1 ZINC000461908704 875051811 /nfs/dbraw/zinc/05/18/11/875051811.db2.gz NZGAVDULKZCNQB-GOSISDBHSA-N 1 0 404.514 4.115 20 30 HIEDRO N#C[C@H]1CCC[C@@H]1NC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000461952173 875082418 /nfs/dbraw/zinc/08/24/18/875082418.db2.gz ZVHISGRDXNKOQQ-APWZRJJASA-N 1 0 409.361 4.293 20 30 HIEDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C(=O)N1c1ccccc1 ZINC000462739348 875809835 /nfs/dbraw/zinc/80/98/35/875809835.db2.gz VZZDOQGDKJMURE-CLOONOSVSA-N 1 0 411.505 4.421 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccccc3OCC(F)(F)F)C2)c(F)c1 ZINC000462747778 875815685 /nfs/dbraw/zinc/81/56/85/875815685.db2.gz GACYVZIDCILXIQ-KRWDZBQOSA-N 1 0 407.411 4.397 20 30 HIEDRO Cc1cc(NCC2([NH+]3CCCCC3)CCN(C)CC2)n2c3ccccc3nc2c1C#N ZINC000463079052 876110918 /nfs/dbraw/zinc/11/09/18/876110918.db2.gz WLMWFFMWUSXHJU-UHFFFAOYSA-N 1 0 416.573 4.030 20 30 HIEDRO C[C@@H]1C[C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000468940212 883006084 /nfs/dbraw/zinc/00/60/84/883006084.db2.gz JPJRMCMEJPIUOW-AUSIDOKSSA-N 1 0 402.542 4.344 20 30 HIEDRO C[C@H]1C[C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000468940447 883006695 /nfs/dbraw/zinc/00/66/95/883006695.db2.gz JPJRMCMEJPIUOW-CVDCTZTESA-N 1 0 402.542 4.344 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3cccc(OCC(F)(F)F)c3)CC2)cc1 ZINC000463247286 876304155 /nfs/dbraw/zinc/30/41/55/876304155.db2.gz VRQZVYVWSAUFJE-UHFFFAOYSA-N 1 0 417.475 4.296 20 30 HIEDRO C[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F)c1cccc(C#N)c1 ZINC000463585668 876689744 /nfs/dbraw/zinc/68/97/44/876689744.db2.gz IMJQQYWKIZOXJQ-OAHLLOKOSA-N 1 0 416.447 4.071 20 30 HIEDRO N#CCCCn1cc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000468990118 883057610 /nfs/dbraw/zinc/05/76/10/883057610.db2.gz MRSQPCRQLKAZNX-JOCHJYFZSA-N 1 0 414.553 4.239 20 30 HIEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000464746583 877980701 /nfs/dbraw/zinc/98/07/01/877980701.db2.gz ZQGXSLGDOWONKU-UHFFFAOYSA-N 1 0 421.541 4.278 20 30 HIEDRO CC[NH+](CC)C[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000464781943 878027045 /nfs/dbraw/zinc/02/70/45/878027045.db2.gz UJDNCQIFJUDCKH-HXUWFJFHSA-N 1 0 413.610 4.084 20 30 HIEDRO CCSCC[C@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000464856785 878136756 /nfs/dbraw/zinc/13/67/56/878136756.db2.gz RUTUGRXUSBLYBF-KRWDZBQOSA-N 1 0 412.603 4.427 20 30 HIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464903277 878216664 /nfs/dbraw/zinc/21/66/64/878216664.db2.gz VNICPPAJPRVPDQ-YKSBVNFPSA-N 1 0 405.542 4.085 20 30 HIEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CSCc1ccc(C#N)cc1 ZINC000464945920 878282970 /nfs/dbraw/zinc/28/29/70/878282970.db2.gz VIUQJQVRBOZRJM-HSZRJFAPSA-N 1 0 407.583 4.162 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000465246733 878668190 /nfs/dbraw/zinc/66/81/90/878668190.db2.gz OYHBWBIWLBXSEV-LJQANCHMSA-N 1 0 422.529 4.459 20 30 HIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000465591239 879073933 /nfs/dbraw/zinc/07/39/33/879073933.db2.gz FQOZVOHLTPSZQS-ZEQRLZLVSA-N 1 0 402.542 4.264 20 30 HIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000465591236 879074924 /nfs/dbraw/zinc/07/49/24/879074924.db2.gz FQOZVOHLTPSZQS-BJKOFHAPSA-N 1 0 402.542 4.264 20 30 HIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000465617347 879118411 /nfs/dbraw/zinc/11/84/11/879118411.db2.gz ZUWGAABVDFDFID-BJKOFHAPSA-N 1 0 402.542 4.264 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)CC1 ZINC000465858889 879506197 /nfs/dbraw/zinc/50/61/97/879506197.db2.gz KMRSAHSFFUJPEZ-UHFFFAOYSA-N 1 0 409.496 4.467 20 30 HIEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(SCC#N)c1 ZINC000503464755 912496697 /nfs/dbraw/zinc/49/66/97/912496697.db2.gz RHKGOQUQLNFIAL-FQEVSTJZSA-N 1 0 409.555 4.135 20 30 HIEDRO COc1cc(C[NH2+]CCc2cccc(C#N)c2)cc(OC)c1OCc1ccccc1 ZINC000466424352 880196996 /nfs/dbraw/zinc/19/69/96/880196996.db2.gz HQMZQDSGUMEKRH-UHFFFAOYSA-N 1 0 402.494 4.487 20 30 HIEDRO C[C@H](c1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1)N1CCOCC1 ZINC000503499427 912545792 /nfs/dbraw/zinc/54/57/92/912545792.db2.gz TZCCNMDWHLOEIZ-LJQANCHMSA-N 1 0 416.525 4.273 20 30 HIEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ncccc1OCCCC#N ZINC000466607289 880377608 /nfs/dbraw/zinc/37/76/08/880377608.db2.gz DMERHCCBOXNCBE-NRFANRHFSA-N 1 0 421.545 4.140 20 30 HIEDRO N#CCSCCC[NH+]1CCN(Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)CC1 ZINC000466730429 880515537 /nfs/dbraw/zinc/51/55/37/880515537.db2.gz FJMZKBQVOFZIBI-UHFFFAOYSA-N 1 0 416.572 4.088 20 30 HIEDRO COc1ccc(C2CC[NH+](CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)cc1 ZINC000466743509 880525471 /nfs/dbraw/zinc/52/54/71/880525471.db2.gz NRGJPBOVWMNSIA-UHFFFAOYSA-N 1 0 411.933 4.475 20 30 HIEDRO C[NH+](C)CCc1ccc(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1 ZINC000467065218 880848433 /nfs/dbraw/zinc/84/84/33/880848433.db2.gz YJQAJLGTHIQNNK-UHFFFAOYSA-N 1 0 413.521 4.171 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000467216586 880945540 /nfs/dbraw/zinc/94/55/40/880945540.db2.gz JLXUFDUSZRXTGK-RUZDIDTESA-N 1 0 422.573 4.049 20 30 HIEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000503558230 912631971 /nfs/dbraw/zinc/63/19/71/912631971.db2.gz PCSPGJGGOSFJQE-HSZRJFAPSA-N 1 0 411.509 4.224 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000469181757 883281676 /nfs/dbraw/zinc/28/16/76/883281676.db2.gz IIXRPYNVYIMUQV-IBGZPJMESA-N 1 0 408.571 4.089 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000469196463 883296231 /nfs/dbraw/zinc/29/62/31/883296231.db2.gz HKJCUENBAKYWIC-LJQANCHMSA-N 1 0 408.571 4.232 20 30 HIEDRO C[C@H]1C[C@@H](N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000469225345 883324691 /nfs/dbraw/zinc/32/46/91/883324691.db2.gz RWSJFXYYQQBQNO-AVRDEDQJSA-N 1 0 414.509 4.338 20 30 HIEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000469592404 883827866 /nfs/dbraw/zinc/82/78/66/883827866.db2.gz FQBLEWSMXNCLHA-KRWDZBQOSA-N 1 0 412.509 4.076 20 30 HIEDRO Cc1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1Oc1cccnc1 ZINC000503943199 912876198 /nfs/dbraw/zinc/87/61/98/912876198.db2.gz DWPLCLDZOAXYRI-HSZRJFAPSA-N 1 0 412.493 4.339 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000503964976 912888350 /nfs/dbraw/zinc/88/83/50/912888350.db2.gz WDGWKGNWNZHNIK-FQEVSTJZSA-N 1 0 416.437 4.012 20 30 HIEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000503983128 912896027 /nfs/dbraw/zinc/89/60/27/912896027.db2.gz ZRDYFJLPPZPYEO-XMMPIXPASA-N 1 0 415.468 4.011 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000504036112 912942828 /nfs/dbraw/zinc/94/28/28/912942828.db2.gz MCBAXZPAMQSOJC-NOTZXAQLSA-N 1 0 417.553 4.056 20 30 HIEDRO CCC[N@H+](C)C[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000471030991 885537702 /nfs/dbraw/zinc/53/77/02/885537702.db2.gz GGKHYADWGKAPCG-HXUWFJFHSA-N 1 0 413.610 4.084 20 30 HIEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000471745949 886472106 /nfs/dbraw/zinc/47/21/06/886472106.db2.gz JOYVMFCDVCINKS-OHUGHZGNSA-N 1 0 414.553 4.035 20 30 HIEDRO N#CCCn1cc(C(=O)C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)c2ccccc21 ZINC000472230131 887036330 /nfs/dbraw/zinc/03/63/30/887036330.db2.gz NYYDHZVNQBNMIU-XMMPIXPASA-N 1 0 401.510 4.110 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)C2Cc3ccccc3C2)c1C#N ZINC000472439684 887288055 /nfs/dbraw/zinc/28/80/55/887288055.db2.gz MPKFJLNDLKUMPS-UHFFFAOYSA-N 1 0 416.525 4.046 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@H](c3cccs3)n3cccc3)CC2)cc1 ZINC000473357895 888081414 /nfs/dbraw/zinc/08/14/14/888081414.db2.gz PPBUKDXFPLSGLE-JOCHJYFZSA-N 1 0 418.566 4.135 20 30 HIEDRO C[C@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000473614804 888354252 /nfs/dbraw/zinc/35/42/52/888354252.db2.gz NIZGGMLJCKMUQF-NBGIEHNGSA-N 1 0 402.542 4.317 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474223308 889061665 /nfs/dbraw/zinc/06/16/65/889061665.db2.gz OOFICQWRLYOKMK-PZJWPPBQSA-N 1 0 422.598 4.226 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCCn2cc(Br)cn2)CC1 ZINC000475213814 890084167 /nfs/dbraw/zinc/08/41/67/890084167.db2.gz XIRWFUHASXKXBW-UHFFFAOYSA-N 1 0 401.352 4.420 20 30 HIEDRO CN(C(=O)c1occc1COc1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475303307 890211432 /nfs/dbraw/zinc/21/14/32/890211432.db2.gz HIVDYEAUNPQINH-QFIPXVFZSA-N 1 0 415.493 4.077 20 30 HIEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000475747816 890692092 /nfs/dbraw/zinc/69/20/92/890692092.db2.gz LTJWMWQNBNYFCD-HXUWFJFHSA-N 1 0 416.363 4.142 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(Cl)cc1OC ZINC000475976363 890892831 /nfs/dbraw/zinc/89/28/31/890892831.db2.gz LOCOPWUXFPSLBX-UHFFFAOYSA-N 1 0 406.983 4.447 20 30 HIEDRO N#Cc1cccc(OCCC[NH+]2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 ZINC000477165650 892088882 /nfs/dbraw/zinc/08/88/82/892088882.db2.gz SOCWFCKERHHVDR-JOCHJYFZSA-N 1 0 409.917 4.428 20 30 HIEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000477302735 892264183 /nfs/dbraw/zinc/26/41/83/892264183.db2.gz CAYXMHBLRCIFHG-FQEVSTJZSA-N 1 0 400.444 4.085 20 30 HIEDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1F ZINC000477411628 892363876 /nfs/dbraw/zinc/36/38/76/892363876.db2.gz LPTZJUJNGJXYGB-UHFFFAOYSA-N 1 0 417.484 4.268 20 30 HIEDRO CCC[N@H+](CCCOc1cccc(C#N)c1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000477762828 892852090 /nfs/dbraw/zinc/85/20/90/892852090.db2.gz BUUSPKNFYSSABO-UHFFFAOYSA-N 1 0 405.542 4.344 20 30 HIEDRO Cn1cc(C[NH2+]C[C@H]2CCCN(C)[C@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000478195692 893357474 /nfs/dbraw/zinc/35/74/74/893357474.db2.gz KTAGNZXYRCONGK-AUSIDOKSSA-N 1 0 405.571 4.193 20 30 HIEDRO Cc1ccc(NC(=O)C2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000478951267 894233192 /nfs/dbraw/zinc/23/31/92/894233192.db2.gz CANUXXIFEYTOIQ-UHFFFAOYSA-N 1 0 401.432 4.111 20 30 HIEDRO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479210436 894473743 /nfs/dbraw/zinc/47/37/43/894473743.db2.gz CSNUBVIWFZDCEN-YMPZKCBVSA-N 1 0 411.590 4.138 20 30 HIEDRO CCCCOc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000479217390 894480818 /nfs/dbraw/zinc/48/08/18/894480818.db2.gz OLVOEOZOZPXWJE-UHFFFAOYSA-N 1 0 421.541 4.162 20 30 HIEDRO N#CC1(NC(=O)c2cccc(Oc3ccncc3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479219053 894482306 /nfs/dbraw/zinc/48/23/06/894482306.db2.gz QTTDNSLCLLIOLS-UHFFFAOYSA-N 1 0 412.493 4.162 20 30 HIEDRO COc1ccc2c(c1)CCC[C@H]2CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479249543 894515087 /nfs/dbraw/zinc/51/50/87/894515087.db2.gz RODDUKUBFHIPDA-QFIPXVFZSA-N 1 0 417.553 4.180 20 30 HIEDRO N#CC1(NC(=O)c2cccc(C(F)(F)F)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC000479253938 894518040 /nfs/dbraw/zinc/51/80/40/894518040.db2.gz VYPQYRHBCAJZOO-UHFFFAOYSA-N 1 0 405.395 4.133 20 30 HIEDRO N#CC1(NC(=O)CCc2ccc(-c3ccccc3)[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000479270377 894544038 /nfs/dbraw/zinc/54/40/38/894544038.db2.gz AOYIWEZIIPAKKM-UHFFFAOYSA-N 1 0 412.537 4.289 20 30 HIEDRO N#CC1(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000479288869 894568793 /nfs/dbraw/zinc/56/87/93/894568793.db2.gz YMTHNGQBHJLONS-MSOLQXFVSA-N 1 0 411.908 4.257 20 30 HIEDRO COc1ccccc1SC[C@@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000480001103 895354700 /nfs/dbraw/zinc/35/47/00/895354700.db2.gz WTILRPIBEDFVPB-KRWDZBQOSA-N 1 0 406.555 4.485 20 30 HIEDRO N#Cc1cc(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cnc1C(F)(F)F ZINC000480003968 895357838 /nfs/dbraw/zinc/35/78/38/895357838.db2.gz ZINGELUPTQXQRJ-UHFFFAOYSA-N 1 0 418.419 4.089 20 30 HIEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[NH+](C)C ZINC000480302806 895707797 /nfs/dbraw/zinc/70/77/97/895707797.db2.gz VEZDNDCVWPFYTO-ZHRRBRCNSA-N 1 0 420.492 4.004 20 30 HIEDRO C[C@@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000480348581 895754523 /nfs/dbraw/zinc/75/45/23/895754523.db2.gz NKENPVBIFYCLKQ-VFNWGFHPSA-N 1 0 422.920 4.210 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000481174511 896509910 /nfs/dbraw/zinc/50/99/10/896509910.db2.gz HSIYBPWJQMOZHS-QPPBQGQZSA-N 1 0 418.585 4.050 20 30 HIEDRO C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000481320432 896675139 /nfs/dbraw/zinc/67/51/39/896675139.db2.gz HQCJKEXFSHOASX-QWRGUYRKSA-N 1 0 418.353 4.424 20 30 HIEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000481619189 897002781 /nfs/dbraw/zinc/00/27/81/897002781.db2.gz BHRCWVCAYLOTEC-QGZVFWFLSA-N 1 0 410.493 4.272 20 30 HIEDRO CN(c1ccccc1CNc1ccn(-c2cccc(F)c2C#N)n1)C1CC[NH+](C)CC1 ZINC000512381853 921119420 /nfs/dbraw/zinc/11/94/20/921119420.db2.gz AGEPDCBMWAVATE-UHFFFAOYSA-N 1 0 418.520 4.026 20 30 HIEDRO COc1cc(I)c(Cl)cc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000481719798 897113870 /nfs/dbraw/zinc/11/38/70/897113870.db2.gz DFNFSEPHUDAQOC-UHFFFAOYSA-N 1 0 412.658 4.115 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1(c2ccccc2)CCCC1 ZINC000481838265 897205688 /nfs/dbraw/zinc/20/56/88/897205688.db2.gz KFCDIEDTYDMANE-LJQANCHMSA-N 1 0 413.525 4.173 20 30 HIEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000482130452 897587053 /nfs/dbraw/zinc/58/70/53/897587053.db2.gz DYSWIMVHNSJPKK-QFIPXVFZSA-N 1 0 415.541 4.171 20 30 HIEDRO CC1(C)C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@]2(CCCOC2)O1 ZINC000482446207 898010508 /nfs/dbraw/zinc/01/05/08/898010508.db2.gz CJKBQJYRDUPJRV-VWLOTQADSA-N 1 0 406.526 4.297 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000482879245 898492281 /nfs/dbraw/zinc/49/22/81/898492281.db2.gz XNONCNHVBSQUDF-CRAIPNDOSA-N 1 0 406.505 4.247 20 30 HIEDRO CC1(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000483060928 898739710 /nfs/dbraw/zinc/73/97/10/898739710.db2.gz AKYDKXHFEBOCIE-UHFFFAOYSA-N 1 0 417.553 4.230 20 30 HIEDRO COc1ccc(C[N@H+](CCC(=O)Nc2cccc(C#N)c2)CCc2ccccn2)cc1 ZINC000483064120 898743019 /nfs/dbraw/zinc/74/30/19/898743019.db2.gz TWQXYQUAKZIHIK-UHFFFAOYSA-N 1 0 414.509 4.035 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@H](C)c2ccc(F)c(F)c2)cc1 ZINC000505591947 914298011 /nfs/dbraw/zinc/29/80/11/914298011.db2.gz VWZWMKNRXCLAIK-MRXNPFEDSA-N 1 0 401.457 4.303 20 30 HIEDRO CS[C@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000483392920 899026967 /nfs/dbraw/zinc/02/69/67/899026967.db2.gz IQLMMQVILZWKMF-GOTSBHOMSA-N 1 0 421.566 4.197 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000484049768 899682183 /nfs/dbraw/zinc/68/21/83/899682183.db2.gz SXMQXEWOIWILMF-MOPGFXCFSA-N 1 0 410.484 4.000 20 30 HIEDRO Cc1ccc(C[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccccn2)cc1 ZINC000484912349 900290046 /nfs/dbraw/zinc/29/00/46/900290046.db2.gz XNVPTSZTLOOHIQ-RPBOFIJWSA-N 1 0 410.521 4.331 20 30 HIEDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OCC ZINC000485235956 900520808 /nfs/dbraw/zinc/52/08/08/900520808.db2.gz WXKBLBHOABMCPU-UTKZUKDTSA-N 1 0 407.514 4.202 20 30 HIEDRO CC[N@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000505788642 914454157 /nfs/dbraw/zinc/45/41/57/914454157.db2.gz BYXPVBPGWBNGLX-IQGLISFBSA-N 1 0 421.541 4.226 20 30 HIEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 ZINC000485409138 900706403 /nfs/dbraw/zinc/70/64/03/900706403.db2.gz RHWVLEKIKOTCLN-GOSISDBHSA-N 1 0 408.502 4.165 20 30 HIEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 ZINC000485425806 900723282 /nfs/dbraw/zinc/72/32/82/900723282.db2.gz JQDATRYHBXXRMM-NRFANRHFSA-N 1 0 406.530 4.251 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000485807705 901056794 /nfs/dbraw/zinc/05/67/94/901056794.db2.gz WXXKNUUQRXHZCH-CVEARBPZSA-N 1 0 408.527 4.291 20 30 HIEDRO C=CCOc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c1 ZINC000486429048 901588790 /nfs/dbraw/zinc/58/87/90/901588790.db2.gz DPKVLQYSRMBNDN-HYBUGGRVSA-N 1 0 402.498 4.250 20 30 HIEDRO C=CCc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cc(OC)c1O ZINC000486473927 901634313 /nfs/dbraw/zinc/63/43/13/901634313.db2.gz WSMMDGBQZKZTIC-NTKDMRAZSA-N 1 0 409.530 4.019 20 30 HIEDRO C[NH+]1CCC(n2ccc(NCc3cccc(OCc4ccccc4C#N)c3)n2)CC1 ZINC000486787327 901853930 /nfs/dbraw/zinc/85/39/30/901853930.db2.gz KUOZUALKPCUMAO-UHFFFAOYSA-N 1 0 401.514 4.213 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c(Cl)c1 ZINC000486821022 901873836 /nfs/dbraw/zinc/87/38/36/901873836.db2.gz FWXAKLOGIQFMBP-XMSQKQJNSA-N 1 0 405.889 4.210 20 30 HIEDRO C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487285903 902137106 /nfs/dbraw/zinc/13/71/06/902137106.db2.gz KHKBORQWQZEZJV-NFBKMPQASA-N 1 0 405.542 4.134 20 30 HIEDRO Cc1nc(SCC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C#N)c(C)c1C ZINC000505953182 914608758 /nfs/dbraw/zinc/60/87/58/914608758.db2.gz LQRIROLNYBVYTF-OXJNMPFZSA-N 1 0 414.619 4.084 20 30 HIEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccc(C#N)c(Br)c3)C2)CC1 ZINC000487896698 902436237 /nfs/dbraw/zinc/43/62/37/902436237.db2.gz MKXQMMLBNWDSSF-MRXNPFEDSA-N 1 0 419.367 4.297 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487937326 902467619 /nfs/dbraw/zinc/46/76/19/902467619.db2.gz XJDZCQKZXSCALT-HOTGVXAUSA-N 1 0 419.367 4.439 20 30 HIEDRO N#C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000505982193 914644913 /nfs/dbraw/zinc/64/49/13/914644913.db2.gz QHMCSLIUNWJKHG-QUCCMNQESA-N 1 0 401.432 4.298 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(SCC(F)F)cc1 ZINC000488466938 902839803 /nfs/dbraw/zinc/83/98/03/902839803.db2.gz MPAMDOHBTXCAMW-MGPUTAFESA-N 1 0 415.509 4.367 20 30 HIEDRO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488506160 902860900 /nfs/dbraw/zinc/86/09/00/902860900.db2.gz YRJWPAUYWIGLLI-IIBYNOLFSA-N 1 0 415.459 4.289 20 30 HIEDRO C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488507684 902862103 /nfs/dbraw/zinc/86/21/03/902862103.db2.gz RHZVDTAPHUEPMJ-DKIXLDBZSA-N 1 0 417.553 4.225 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000488559837 902883369 /nfs/dbraw/zinc/88/33/69/902883369.db2.gz JBKUQDHAUTXZJE-INIZCTEOSA-N 1 0 418.563 4.034 20 30 HIEDRO COC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(Cl)cc1 ZINC000488710543 902959561 /nfs/dbraw/zinc/95/95/61/902959561.db2.gz FLIAKUSEAKBFDB-SFHVURJKSA-N 1 0 417.962 4.458 20 30 HIEDRO CCN(C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000488915618 903074640 /nfs/dbraw/zinc/07/46/40/903074640.db2.gz KSXLNZAWKDPJLR-FQEVSTJZSA-N 1 0 404.558 4.312 20 30 HIEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000489103907 903198131 /nfs/dbraw/zinc/19/81/31/903198131.db2.gz KQGRGKJIVVSMQC-DEOSSOPVSA-N 1 0 414.509 4.273 20 30 HIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489529019 903440029 /nfs/dbraw/zinc/44/00/29/903440029.db2.gz IPKJKEJIGXBVPL-HYBUGGRVSA-N 1 0 404.558 4.390 20 30 HIEDRO Cn1cc(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)c(-c2ccc(C#N)cc2)n1 ZINC000490545692 904090933 /nfs/dbraw/zinc/09/09/33/904090933.db2.gz OCUUIOIPRAMIPE-UHFFFAOYSA-N 1 0 415.324 4.260 20 30 HIEDRO N#CCCN(C(=O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1cccc(Cl)c1 ZINC000491058685 904403223 /nfs/dbraw/zinc/40/32/23/904403223.db2.gz HAQNIMQCDHUZES-FQEVSTJZSA-N 1 0 416.997 4.175 20 30 HIEDRO Cn1cc(C[N@H+](C)CCc2ccc(Br)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000491143730 904453243 /nfs/dbraw/zinc/45/32/43/904453243.db2.gz YQOXENQWQMHBPA-UHFFFAOYSA-N 1 0 409.331 4.396 20 30 HIEDRO Cn1cc(C[N@@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491144329 904454832 /nfs/dbraw/zinc/45/48/32/904454832.db2.gz ZAIVBGKHPJTBND-UHFFFAOYSA-N 1 0 419.960 4.320 20 30 HIEDRO COc1ccccc1CC1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000491206742 904482265 /nfs/dbraw/zinc/48/22/65/904482265.db2.gz UUZADCFHEMOTCY-UHFFFAOYSA-N 1 0 400.526 4.422 20 30 HIEDRO C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492271683 904826849 /nfs/dbraw/zinc/82/68/49/904826849.db2.gz PSSBYELXRVVDOX-QAPCUYQASA-N 1 0 414.456 4.192 20 30 HIEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c1 ZINC000492355503 904839231 /nfs/dbraw/zinc/83/92/31/904839231.db2.gz HNAJGAFJSXCAKG-MRXNPFEDSA-N 1 0 414.351 4.018 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000493388208 905101246 /nfs/dbraw/zinc/10/12/46/905101246.db2.gz RHEPORJXGVCHFT-QPPBQGQZSA-N 1 0 405.542 4.333 20 30 HIEDRO CN1C(=O)C[C@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493915539 905268283 /nfs/dbraw/zinc/26/82/83/905268283.db2.gz DVPHKPCMLJDMJJ-QFBILLFUSA-N 1 0 423.822 4.014 20 30 HIEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000494327425 905638715 /nfs/dbraw/zinc/63/87/15/905638715.db2.gz QJEQSWKLXXXGAT-OALUTQOASA-N 1 0 409.530 4.218 20 30 HIEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3)C2)cc(OC)c1O ZINC000512445206 921166584 /nfs/dbraw/zinc/16/65/84/921166584.db2.gz XPVBNZBXVFHJSW-IBGZPJMESA-N 1 0 423.557 4.471 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000494471104 905751987 /nfs/dbraw/zinc/75/19/87/905751987.db2.gz WLOKWHHVMKSPHH-KHDYIWLOSA-N 1 0 415.946 4.209 20 30 HIEDRO CC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CCCCC1 ZINC000494779440 905978809 /nfs/dbraw/zinc/97/88/09/905978809.db2.gz VKVUNBOVHALRNW-IBGZPJMESA-N 1 0 412.578 4.011 20 30 HIEDRO CC(C)(C)CC(C)(C)[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000494784781 905986515 /nfs/dbraw/zinc/98/65/15/905986515.db2.gz MLDQSWPCAQMHOS-KRWDZBQOSA-N 1 0 414.594 4.160 20 30 HIEDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000495008246 906170031 /nfs/dbraw/zinc/17/00/31/906170031.db2.gz XCHURQNCMYBWKW-MDPIYQRISA-N 1 0 424.589 4.009 20 30 HIEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000495247831 906335469 /nfs/dbraw/zinc/33/54/69/906335469.db2.gz CQSXONWCFYPEEE-ACJLOTCBSA-N 1 0 410.331 4.027 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)s1 ZINC000512547730 921228569 /nfs/dbraw/zinc/22/85/69/921228569.db2.gz ROWDCKXIONOUHO-UHFFFAOYSA-N 1 0 404.333 4.233 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](Cc2ccccc2)C2CC2)c1C#N ZINC000495481865 906478126 /nfs/dbraw/zinc/47/81/26/906478126.db2.gz WPUJMBSKHZURSW-QHCPKHFHSA-N 1 0 416.525 4.167 20 30 HIEDRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1Br ZINC000512591817 921252462 /nfs/dbraw/zinc/25/24/62/921252462.db2.gz ZVCMVTCJYOLABN-UHFFFAOYSA-N 1 0 412.331 4.480 20 30 HIEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000496220942 906629979 /nfs/dbraw/zinc/62/99/79/906629979.db2.gz CGLRNCMLFWKJBN-UHFFFAOYSA-N 1 0 424.545 4.005 20 30 HIEDRO C[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000496226298 906634728 /nfs/dbraw/zinc/63/47/28/906634728.db2.gz YGXWDCFHQNJAFB-XKYBLWFHSA-N 1 0 420.557 4.239 20 30 HIEDRO N#C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Br)c1 ZINC000496273648 906647067 /nfs/dbraw/zinc/64/70/67/906647067.db2.gz UJWWGBUSXIIMHO-FQEVSTJZSA-N 1 0 412.331 4.430 20 30 HIEDRO CCOc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1OCC ZINC000512621990 921265072 /nfs/dbraw/zinc/26/50/72/921265072.db2.gz GOXAYSREGFSJQB-UHFFFAOYSA-N 1 0 407.514 4.206 20 30 HIEDRO CCCCCC(=O)NC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000512635054 921269598 /nfs/dbraw/zinc/26/95/98/921269598.db2.gz WXCHCNCBTQSSKB-UHFFFAOYSA-N 1 0 407.562 4.125 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(Br)c(OC(F)(F)F)c2)CC1 ZINC000512680034 921285474 /nfs/dbraw/zinc/28/54/74/921285474.db2.gz GLFRRKYTIYMPKD-UHFFFAOYSA-N 1 0 421.257 4.118 20 30 HIEDRO CC[N@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@@H](C)c1ccc(C#N)cc1 ZINC000497590489 907070937 /nfs/dbraw/zinc/07/09/37/907070937.db2.gz IIQBIOKZRFUFTP-AWEZNQCLSA-N 1 0 407.411 4.415 20 30 HIEDRO C[NH+](C)Cc1ccccc1C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 ZINC000497997873 907478978 /nfs/dbraw/zinc/47/89/78/907478978.db2.gz LWYLJGONWQSJBH-UHFFFAOYSA-N 1 0 409.540 4.016 20 30 HIEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000498013144 907505127 /nfs/dbraw/zinc/50/51/27/907505127.db2.gz DSRQBDOPCBPKRH-UTKZUKDTSA-N 1 0 417.575 4.004 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000498358630 907856647 /nfs/dbraw/zinc/85/66/47/907856647.db2.gz HBQXLBQTHAQKRQ-XMMPIXPASA-N 1 0 420.532 4.407 20 30 HIEDRO C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498701921 908127318 /nfs/dbraw/zinc/12/73/18/908127318.db2.gz HUEKCVPXPXHJDZ-AUSIDOKSSA-N 1 0 402.542 4.143 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCCc3ccccc3C2)c1C#N ZINC000498916915 908325428 /nfs/dbraw/zinc/32/54/28/908325428.db2.gz SXYVZVNFQAHUPZ-UHFFFAOYSA-N 1 0 416.525 4.395 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)cc1Cl ZINC000499048477 908419609 /nfs/dbraw/zinc/41/96/09/908419609.db2.gz QLLGYKCVQKVWAF-UHFFFAOYSA-N 1 0 420.738 4.178 20 30 HIEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C[C@H]1C ZINC000499562867 908841817 /nfs/dbraw/zinc/84/18/17/908841817.db2.gz PNTKPKXBXXZAPG-IAGOWNOFSA-N 1 0 410.493 4.223 20 30 HIEDRO N#CC1(CCC[N@H+]2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)CCOCC1 ZINC000499564869 908841854 /nfs/dbraw/zinc/84/18/54/908841854.db2.gz QHGQDIMRYKIKMG-HSZRJFAPSA-N 1 0 405.542 4.135 20 30 HIEDRO Cc1cc(C[N@@H+](CCCC2(C#N)CCOCC2)CC(C)C)nc(N2CCCCC2)n1 ZINC000499601562 908852893 /nfs/dbraw/zinc/85/28/93/908852893.db2.gz YWZUUAGONBOLGE-UHFFFAOYSA-N 1 0 413.610 4.334 20 30 HIEDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@@H]1C ZINC000499608361 908854700 /nfs/dbraw/zinc/85/47/00/908854700.db2.gz RJCPMFIGTGRQFI-OALUTQOASA-N 1 0 406.530 4.278 20 30 HIEDRO COCC[N@H+](CCCC1(C#N)CCOCC1)Cc1ccc(Br)s1 ZINC000499733586 908893466 /nfs/dbraw/zinc/89/34/66/908893466.db2.gz KVGBHNLADMHXPT-UHFFFAOYSA-N 1 0 401.370 4.060 20 30 HIEDRO C=CCOc1ccccc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000500027841 909482725 /nfs/dbraw/zinc/48/27/25/909482725.db2.gz MQABQAGDHQIDMO-UHFFFAOYSA-N 1 0 407.514 4.318 20 30 HIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000500048599 909512424 /nfs/dbraw/zinc/51/24/24/909512424.db2.gz JBPRGMFLICTCCP-GOSISDBHSA-N 1 0 402.560 4.133 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCNC(=O)CC3CCCCC3)c2)c1 ZINC000500892914 910163406 /nfs/dbraw/zinc/16/34/06/910163406.db2.gz SESUPGMXTHEXCC-UHFFFAOYSA-N 1 0 405.542 4.313 20 30 HIEDRO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](c4nc(-c5ccc(Cl)cc5)no4)C3)n2c1 ZINC000513129182 921572441 /nfs/dbraw/zinc/57/24/41/921572441.db2.gz WHQIVBSLCIEIOQ-QGZVFWFLSA-N 1 0 418.888 4.289 20 30 HIEDRO CCN(C(=O)CCc1c(C)nn(CCC#N)c1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000501959774 910945678 /nfs/dbraw/zinc/94/56/78/910945678.db2.gz IJUKSLHTMZXARV-NZQKXSOJSA-N 1 0 421.589 4.030 20 30 HIEDRO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000501980836 910961302 /nfs/dbraw/zinc/96/13/02/910961302.db2.gz IHVIFUQCSIFRSV-GJZGRUSLSA-N 1 0 423.904 4.089 20 30 HIEDRO N#Cc1ccccc1OCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)o1 ZINC000513265723 921667629 /nfs/dbraw/zinc/66/76/29/921667629.db2.gz DYICYNNSNBINGE-NRFANRHFSA-N 1 0 415.493 4.125 20 30 HIEDRO C=CCc1cc(C(=O)Nc2ccccc2NC2CC[NH+](C)CC2)cc(OC)c1OC ZINC000502609576 911631881 /nfs/dbraw/zinc/63/18/81/911631881.db2.gz IHAIVEMLOXNJFM-UHFFFAOYSA-N 1 0 409.530 4.191 20 30 HIEDRO Cc1ccccc1[C@@H](OC[C@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000506309392 914899102 /nfs/dbraw/zinc/89/91/02/914899102.db2.gz SXYAVKFAFNUJTR-RSXGOPAZSA-N 1 0 400.522 4.466 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCCN(Cc4cscn4)CC3)c2)c1 ZINC000513375141 921747073 /nfs/dbraw/zinc/74/70/73/921747073.db2.gz HIUVAFZAANYPCO-UHFFFAOYSA-N 1 0 418.566 4.302 20 30 HIEDRO COc1ccc(C(=O)C2CC[NH+](Cc3ccc(OC)c(OCCCC#N)c3)CC2)cc1 ZINC000506631423 915300825 /nfs/dbraw/zinc/30/08/25/915300825.db2.gz ILWADEQHPAXNNV-UHFFFAOYSA-N 1 0 422.525 4.481 20 30 HIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)ccc1OC ZINC000506632903 915300950 /nfs/dbraw/zinc/30/09/50/915300950.db2.gz UTGUVJNWLFKDAD-FQEVSTJZSA-N 1 0 410.562 4.348 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000506790123 915518895 /nfs/dbraw/zinc/51/88/95/915518895.db2.gz LHJYMMJXKNZLCA-LJQANCHMSA-N 1 0 413.468 4.441 20 30 HIEDRO COc1cccc([C@@H](C)[NH+]2CCN(Cc3ccc(OC)c(OCCCC#N)c3)CC2)c1 ZINC000513417530 921784604 /nfs/dbraw/zinc/78/46/04/921784604.db2.gz WLBSTOJGMPAAEE-HXUWFJFHSA-N 1 0 423.557 4.265 20 30 HIEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000506979020 915786467 /nfs/dbraw/zinc/78/64/67/915786467.db2.gz KBDQZUMAZJRWJR-MCIONIFRSA-N 1 0 414.365 4.454 20 30 HIEDRO COc1cc(CN2CC[C@@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)C2)cc(OC)c1 ZINC000507648328 916407961 /nfs/dbraw/zinc/40/79/61/916407961.db2.gz GBFCJXKZERRRSY-VVCJCJSVSA-N 1 0 419.569 4.272 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2ccccc2O)cc1OCC ZINC000508100006 916915164 /nfs/dbraw/zinc/91/51/64/916915164.db2.gz ZTFZHNWAFYPGSZ-UHFFFAOYSA-N 1 0 406.320 4.451 20 30 HIEDRO N#CC1CCN(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000508198969 917018938 /nfs/dbraw/zinc/01/89/38/917018938.db2.gz GCKDUJSUVNHWLV-UHFFFAOYSA-N 1 0 402.542 4.395 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000508256729 917074604 /nfs/dbraw/zinc/07/46/04/917074604.db2.gz DMLSOINANKOWKP-KRWDZBQOSA-N 1 0 408.502 4.213 20 30 HIEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508494311 917277859 /nfs/dbraw/zinc/27/78/59/917277859.db2.gz OLTXSQZWFQSBIB-UHFFFAOYSA-N 1 0 402.546 4.052 20 30 HIEDRO C[S@@](=O)C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1ccccc1 ZINC000508649428 917414309 /nfs/dbraw/zinc/41/43/09/917414309.db2.gz AWGVXUVEGSXERN-FUFSCUOVSA-N 1 0 404.535 4.347 20 30 HIEDRO C[S@@](=O)C[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1ccccc1 ZINC000508649431 917414365 /nfs/dbraw/zinc/41/43/65/917414365.db2.gz AWGVXUVEGSXERN-PWUYWRBVSA-N 1 0 404.535 4.347 20 30 HIEDRO C[S@](=O)C[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1 ZINC000508652595 917418002 /nfs/dbraw/zinc/41/80/02/917418002.db2.gz ZZFQEVJJRRUAFV-GIGWZHCTSA-N 1 0 404.535 4.347 20 30 HIEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508747588 917504891 /nfs/dbraw/zinc/50/48/91/917504891.db2.gz OINDEUWXTGQWJH-OALUTQOASA-N 1 0 413.541 4.055 20 30 HIEDRO C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508813341 917567635 /nfs/dbraw/zinc/56/76/35/917567635.db2.gz ZMFMBANPDNHJGC-MRXNPFEDSA-N 1 0 418.383 4.062 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000508879670 917632334 /nfs/dbraw/zinc/63/23/34/917632334.db2.gz JXPRVZBHUOZOHW-GCJKJVERSA-N 1 0 410.518 4.292 20 30 HIEDRO C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000508915003 917672106 /nfs/dbraw/zinc/67/21/06/917672106.db2.gz VTCQUXDHZSDUHH-NRFANRHFSA-N 1 0 423.605 4.156 20 30 HIEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000508918222 917675571 /nfs/dbraw/zinc/67/55/71/917675571.db2.gz MDLDGSFFOHNFTP-RBBKRZOGSA-N 1 0 421.589 4.054 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(OCc2cccs2)c1 ZINC000508965729 917721925 /nfs/dbraw/zinc/72/19/25/917721925.db2.gz HXWWOWOQGXFHNS-UHFFFAOYSA-N 1 0 419.550 4.403 20 30 HIEDRO CC[N@@H+]1CCC[C@@H](CN(C)c2c(C#N)cnc3ccc(Cl)cc32)[C@@H]1c1cnn(C)c1 ZINC000509615550 918264322 /nfs/dbraw/zinc/26/43/22/918264322.db2.gz DQRSAGSGYRDJJZ-KSFYIVLOSA-N 1 0 422.964 4.403 20 30 HIEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1occc1COc1cccc(C#N)c1)[NH+](C)C ZINC000510539904 918985130 /nfs/dbraw/zinc/98/51/30/918985130.db2.gz OCDOBIWRCDRTNN-MBSDFSHPSA-N 1 0 417.509 4.460 20 30 HIEDRO C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510787644 919253316 /nfs/dbraw/zinc/25/33/16/919253316.db2.gz MFKKFDXQTRMFLG-HKUYNNGSSA-N 1 0 407.514 4.113 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1)C1CC1 ZINC000510990393 919545359 /nfs/dbraw/zinc/54/53/59/919545359.db2.gz BPJXYEOOWWMQLG-UHFFFAOYSA-N 1 0 400.444 4.471 20 30 HIEDRO C[C@@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000511476780 920085894 /nfs/dbraw/zinc/08/58/94/920085894.db2.gz OBRUGBMNNXHAGD-ROUUACIJSA-N 1 0 419.529 4.052 20 30 HIEDRO C[C@@H]([NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)C(=O)NC1(C#N)CCCCC1 ZINC000511603707 920250248 /nfs/dbraw/zinc/25/02/48/920250248.db2.gz IIHPVBQWNHKQAT-RDTXWAMCSA-N 1 0 409.452 4.357 20 30 HIEDRO N#CCCN(C(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21)c1cccc(Cl)c1 ZINC000511670223 920335422 /nfs/dbraw/zinc/33/54/22/920335422.db2.gz GVMAJCJGHNLWFL-ZLNRFVROSA-N 1 0 423.944 4.091 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1Cl ZINC000511781455 920472972 /nfs/dbraw/zinc/47/29/72/920472972.db2.gz NZUFHPMXQPTYCC-SJBKTWHCSA-N 1 0 409.917 4.045 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](CCO)c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000512216983 920965055 /nfs/dbraw/zinc/96/50/55/920965055.db2.gz DCEJXOMDBSOESN-VQTJNVASSA-N 1 0 418.324 4.074 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cc1 ZINC000512218112 920967057 /nfs/dbraw/zinc/96/70/57/920967057.db2.gz KMJSIFDUMIFRQN-IBGZPJMESA-N 1 0 406.404 4.045 20 30 HIEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513534991 921876073 /nfs/dbraw/zinc/87/60/73/921876073.db2.gz REIWSCAGBZOJHV-XMMPIXPASA-N 1 0 413.521 4.040 20 30 HIEDRO CCC1(CNC(=O)CSc2ccc(C#N)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000514060811 922383797 /nfs/dbraw/zinc/38/37/97/922383797.db2.gz UAFMVHJUJRQIGZ-UHFFFAOYSA-N 1 0 407.583 4.459 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000514592963 922718828 /nfs/dbraw/zinc/71/88/28/922718828.db2.gz NWRWEQIVUKKIKD-FOIQADDNSA-N 1 0 417.600 4.288 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)COc3ccc4ccccc4c3)CC2)c(F)c1 ZINC000514879935 922829385 /nfs/dbraw/zinc/82/93/85/922829385.db2.gz HSWAGVDWSIZZOX-NRFANRHFSA-N 1 0 420.484 4.134 20 30 HIEDRO COc1cccc([C@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)[NH+]2CCCC2)c1 ZINC000515117946 922931027 /nfs/dbraw/zinc/93/10/27/922931027.db2.gz MKFDDWJGJLABKV-QFIPXVFZSA-N 1 0 406.530 4.455 20 30 HIEDRO CCC[N@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)Cc1ccc(C#N)cc1 ZINC000515411014 923089301 /nfs/dbraw/zinc/08/93/01/923089301.db2.gz ZCZXFWZCUIREBM-INIZCTEOSA-N 1 0 414.347 4.410 20 30 HIEDRO N#Cc1ccccc1OCc1ccc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)o1 ZINC000515771545 923339109 /nfs/dbraw/zinc/33/91/09/923339109.db2.gz VFOPARFEFVFVPE-JOCHJYFZSA-N 1 0 415.493 4.297 20 30 HIEDRO N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)s2)cc1 ZINC000516238905 923621376 /nfs/dbraw/zinc/62/13/76/923621376.db2.gz ILDRTWFVUNIWMZ-NRFANRHFSA-N 1 0 416.550 4.456 20 30 HIEDRO C[C@H]1C[NH+](CCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000516383668 923704406 /nfs/dbraw/zinc/70/44/06/923704406.db2.gz KAYGCQUWKSBGHS-OALUTQOASA-N 1 0 423.582 4.080 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000517331979 924108401 /nfs/dbraw/zinc/10/84/01/924108401.db2.gz YCLZWBNKHUNIBM-QFIPXVFZSA-N 1 0 402.542 4.249 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000517340851 924114821 /nfs/dbraw/zinc/11/48/21/924114821.db2.gz FKHLFFBMMDXBGC-KRWDZBQOSA-N 1 0 424.408 4.278 20 30 HIEDRO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3cccc(COc4ccc(C#N)cc4)c3)n1)OC2 ZINC000517435724 924184612 /nfs/dbraw/zinc/18/46/12/924184612.db2.gz QSQYRFRWPULPNR-ZJSXRUAMSA-N 1 0 416.481 4.113 20 30 HIEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517606858 926714527 /nfs/dbraw/zinc/71/45/27/926714527.db2.gz ZLJQTBXEFDUKNV-OAQYLSRUSA-N 1 0 419.569 4.177 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)cc1OC ZINC000517710045 926807832 /nfs/dbraw/zinc/80/78/32/926807832.db2.gz YSNQVGDXNYILPD-QGZVFWFLSA-N 1 0 417.347 4.391 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000517751435 926821920 /nfs/dbraw/zinc/82/19/20/926821920.db2.gz DXXQJEYQRNUNAF-RPWUZVMVSA-N 1 0 404.558 4.358 20 30 HIEDRO C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000517761653 926824947 /nfs/dbraw/zinc/82/49/47/926824947.db2.gz NCWOKEYCDFGBRK-VAMGGRTRSA-N 1 0 403.615 4.083 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2sc(C(F)(F)F)cc2C(=O)OCC)CC1 ZINC000518062800 927000917 /nfs/dbraw/zinc/00/09/17/927000917.db2.gz TZBXMQKPZFRGIM-UHFFFAOYSA-N 1 0 419.469 4.106 20 30 HIEDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)c(C)c2)CC1 ZINC000518167373 927058788 /nfs/dbraw/zinc/05/87/88/927058788.db2.gz DXOTVKFNLPQJNX-XMMPIXPASA-N 1 0 420.557 4.051 20 30 HIEDRO C[C@@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000518863321 927570298 /nfs/dbraw/zinc/57/02/98/927570298.db2.gz CWRAEPIKLLGZGB-FQEVSTJZSA-N 1 0 421.589 4.452 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000518954601 927654837 /nfs/dbraw/zinc/65/48/37/927654837.db2.gz BLJITNMAPSSURZ-UHFFFAOYSA-N 1 0 405.527 4.277 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000519451286 927958756 /nfs/dbraw/zinc/95/87/56/927958756.db2.gz XJVBXUPOLNNIPI-GOSISDBHSA-N 1 0 421.570 4.406 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(OC2CCC(C)CC2)CC1)C(C)C ZINC000519452245 927959116 /nfs/dbraw/zinc/95/91/16/927959116.db2.gz VNSUSNOQZUEJEA-BBHUYCHWSA-N 1 0 405.627 4.454 20 30 HIEDRO C[C@@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[N@H+](C)Cc1ccccc1 ZINC000519570020 928019655 /nfs/dbraw/zinc/01/96/55/928019655.db2.gz DMNGAMRWYQJLKT-SFHVURJKSA-N 1 0 415.497 4.388 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000519935757 928169806 /nfs/dbraw/zinc/16/98/06/928169806.db2.gz QSOUXGBLGFUOOR-XMMPIXPASA-N 1 0 402.542 4.401 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000520195031 928381551 /nfs/dbraw/zinc/38/15/51/928381551.db2.gz PZOYDKHFOGPYNX-QGZVFWFLSA-N 1 0 412.559 4.343 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)ccc1OC ZINC000520227073 928399864 /nfs/dbraw/zinc/39/98/64/928399864.db2.gz CTVOGHDSJGHUTA-KRWDZBQOSA-N 1 0 400.906 4.199 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(COc3ccc(CCC(C)=O)cc3)c2)CC1 ZINC000520685686 928734367 /nfs/dbraw/zinc/73/43/67/928734367.db2.gz ACDPMOIOZYZWOR-UHFFFAOYSA-N 1 0 420.553 4.167 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)CC1 ZINC000520697741 928744423 /nfs/dbraw/zinc/74/44/23/928744423.db2.gz PEIXOVXLAMUHRB-LJQANCHMSA-N 1 0 412.578 4.172 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)cc1 ZINC000520785373 928817183 /nfs/dbraw/zinc/81/71/83/928817183.db2.gz OATZXDUWWLKINE-JOCHJYFZSA-N 1 0 409.505 4.178 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1C#N ZINC000520899429 928866605 /nfs/dbraw/zinc/86/66/05/928866605.db2.gz ZEKCOFKKTOAELB-RBBKRZOGSA-N 1 0 418.541 4.331 20 30 HIEDRO CN(Cc1ccc(C#N)cc1)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000520998046 928915151 /nfs/dbraw/zinc/91/51/51/928915151.db2.gz AWYXMXNMAVKNDU-UHFFFAOYSA-N 1 0 418.585 4.435 20 30 HIEDRO C[NH+]1CCC(Nc2ccccc2NC(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000521117473 929006090 /nfs/dbraw/zinc/00/60/90/929006090.db2.gz SGIOARHKGLWAPE-UHFFFAOYSA-N 1 0 406.530 4.252 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000521121435 929006947 /nfs/dbraw/zinc/00/69/47/929006947.db2.gz IZBFSJBBZWVNLM-GHTZIAJQSA-N 1 0 408.502 4.128 20 30 HIEDRO Cc1nc(COc2ccc(C[NH2+]C3CCC(Oc4ccccc4C#N)CC3)cc2)no1 ZINC000521377356 929193699 /nfs/dbraw/zinc/19/36/99/929193699.db2.gz FSGVNJBAYIAIJB-UHFFFAOYSA-N 1 0 418.497 4.309 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccco1 ZINC000521466040 929234429 /nfs/dbraw/zinc/23/44/29/929234429.db2.gz GFUXNEOKBWITRS-INIZCTEOSA-N 1 0 424.423 4.297 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(OCC(F)(F)F)cc3)C2)c(F)c1 ZINC000521862201 929513458 /nfs/dbraw/zinc/51/34/58/929513458.db2.gz SMTJIHFJPHDRAR-QGZVFWFLSA-N 1 0 407.411 4.397 20 30 HIEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000524637289 929747704 /nfs/dbraw/zinc/74/77/04/929747704.db2.gz VTUQSQWFBDDIGZ-LJQANCHMSA-N 1 0 421.589 4.126 20 30 HIEDRO C=CCCCCCN(C)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000524800370 929834205 /nfs/dbraw/zinc/83/42/05/929834205.db2.gz PHBWGXMMKLRKHY-LJQANCHMSA-N 1 0 404.574 4.416 20 30 HIEDRO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000524945964 929908500 /nfs/dbraw/zinc/90/85/00/929908500.db2.gz HRGGJYDVYUEJHV-XDNSSPFJSA-N 1 0 417.619 4.391 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000525124133 930049923 /nfs/dbraw/zinc/04/99/23/930049923.db2.gz YRIWZFQJKXFOAX-RZUBCFFCSA-N 1 0 405.542 4.456 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1OCC1CC1 ZINC000525449287 930247085 /nfs/dbraw/zinc/24/70/85/930247085.db2.gz XATGUTIMJMFMIJ-UHFFFAOYSA-N 1 0 410.493 4.082 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000525761347 930435119 /nfs/dbraw/zinc/43/51/19/930435119.db2.gz YCRSRQHHNUIITI-JKSUJKDBSA-N 1 0 417.456 4.283 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000530356732 930692404 /nfs/dbraw/zinc/69/24/04/930692404.db2.gz CAMPXHGENVMPCG-XZOQPEGZSA-N 1 0 418.541 4.068 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)CC3([NH+]4CCOCC4)CCCC3)cc2)c1 ZINC000531292454 931003901 /nfs/dbraw/zinc/00/39/01/931003901.db2.gz MVYRABLOGBODDF-UHFFFAOYSA-N 1 0 419.525 4.111 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000531471866 931070230 /nfs/dbraw/zinc/07/02/30/931070230.db2.gz OPVAKGHFPHFOCZ-BHIFYINESA-N 1 0 410.949 4.424 20 30 HIEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2c(F)cc(C#N)cc2F)cc1 ZINC000531516759 931087858 /nfs/dbraw/zinc/08/78/58/931087858.db2.gz VGLZHLWOHLTOLG-UHFFFAOYSA-N 1 0 405.448 4.495 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000531610597 931125140 /nfs/dbraw/zinc/12/51/40/931125140.db2.gz OWVFTSOAXFTPQK-DEOSSOPVSA-N 1 0 417.553 4.408 20 30 HIEDRO CCOc1ccc([C@H](C)NC(=O)C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000531642823 931137217 /nfs/dbraw/zinc/13/72/17/931137217.db2.gz NJZGGLWMTFOMCJ-ZWKOTPCHSA-N 1 0 409.530 4.226 20 30 HIEDRO COc1ccc([C@@H]([NH2+]CCCC(C)(C)C#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000531648528 931139205 /nfs/dbraw/zinc/13/92/05/931139205.db2.gz IISNQAWVMUCGNS-OAQYLSRUSA-N 1 0 400.544 4.108 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000531694825 931157312 /nfs/dbraw/zinc/15/73/12/931157312.db2.gz RLDOCZYLSUEIDK-UWVGGRQHSA-N 1 0 404.326 4.177 20 30 HIEDRO N#CCCN(CCC#N)C(=O)C[N@@H+](Cc1ccccc1C(F)(F)F)C1CCCC1 ZINC000531840947 931215710 /nfs/dbraw/zinc/21/57/10/931215710.db2.gz IGPDDSMDKCHEIH-UHFFFAOYSA-N 1 0 406.452 4.106 20 30 HIEDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1C ZINC000532507185 931466892 /nfs/dbraw/zinc/46/68/92/931466892.db2.gz WEABWHBSBSGRGO-PXNSSMCTSA-N 1 0 408.521 4.290 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](Cc2ccccn2)C(C)C)c1C#N ZINC000532920731 931694096 /nfs/dbraw/zinc/69/40/96/931694096.db2.gz PXBJCVMNGCMVLW-UHFFFAOYSA-N 1 0 419.529 4.252 20 30 HIEDRO CC(C)C[N@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000533254954 931820388 /nfs/dbraw/zinc/82/03/88/931820388.db2.gz QOCMFXQCNBITHQ-HSZRJFAPSA-N 1 0 418.566 4.379 20 30 HIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000533375259 931852473 /nfs/dbraw/zinc/85/24/73/931852473.db2.gz LCKPTBWRCQKBCS-KZNAEPCWSA-N 1 0 414.619 4.164 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](c1ccccc1)C1CCCC1 ZINC000533386166 931854643 /nfs/dbraw/zinc/85/46/43/931854643.db2.gz DTUXWWBYROBZSR-DEOSSOPVSA-N 1 0 422.573 4.473 20 30 HIEDRO CCCO[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000533419561 931862352 /nfs/dbraw/zinc/86/23/52/931862352.db2.gz HHHMWHFKKWQYJX-IAGOWNOFSA-N 1 0 403.592 4.354 20 30 HIEDRO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000533432128 931866947 /nfs/dbraw/zinc/86/69/47/931866947.db2.gz WATJMBPVKCNSQK-MAODMQOUSA-N 1 0 415.603 4.353 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000533512503 931889812 /nfs/dbraw/zinc/88/98/12/931889812.db2.gz XTTHTRFITQSBTH-FYQPLNBISA-N 1 0 414.619 4.214 20 30 HIEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000533522657 931892895 /nfs/dbraw/zinc/89/28/95/931892895.db2.gz CBKKJUURGKBRMR-UHFFFAOYSA-N 1 0 406.349 4.322 20 30 HIEDRO CC[N@H+](CCOc1cccc(C#N)c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000533531995 931896194 /nfs/dbraw/zinc/89/61/94/931896194.db2.gz QMDJIPIBNYORHA-UHFFFAOYSA-N 1 0 407.562 4.150 20 30 HIEDRO O=C(Nc1cc(Cl)ccc1O)C1CC[NH+](CC#Cc2ccc(Cl)cc2)CC1 ZINC000533607069 931921730 /nfs/dbraw/zinc/92/17/30/931921730.db2.gz UHSOIGQYHWBUSZ-UHFFFAOYSA-N 1 0 403.309 4.401 20 30 HIEDRO CN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534195244 932325529 /nfs/dbraw/zinc/32/55/29/932325529.db2.gz DTHKZCSPYYOQNZ-SFTDATJTSA-N 1 0 417.985 4.013 20 30 HIEDRO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)[C@H]1c1ccccc1 ZINC000534757090 932734114 /nfs/dbraw/zinc/73/41/14/932734114.db2.gz UDYZEZACAXYKQI-ILBGXUMGSA-N 1 0 411.505 4.312 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1 ZINC000535316268 933068158 /nfs/dbraw/zinc/06/81/58/933068158.db2.gz WGXFVGZNDYZVLI-NRFANRHFSA-N 1 0 415.541 4.064 20 30 HIEDRO C[C@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1ccc(C#N)c(F)c1 ZINC000537407606 933761825 /nfs/dbraw/zinc/76/18/25/933761825.db2.gz RZTHSQHLWQIQNR-INIZCTEOSA-N 1 0 403.461 4.265 20 30 HIEDRO C=CCn1c(C(C)C)nnc1N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000562905048 945147114 /nfs/dbraw/zinc/14/71/14/945147114.db2.gz HOYGPMCTMXLNMR-UHFFFAOYSA-N 1 0 407.484 4.319 20 30 HIEDRO C=CC[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537628885 938340145 /nfs/dbraw/zinc/34/01/45/938340145.db2.gz JHARCXPHBJPLOD-INIZCTEOSA-N 1 0 419.920 4.455 20 30 HIEDRO O=C([C@@H]1CC12CC[NH+](CC#Cc1ccc(C(F)(F)F)cc1)CC2)N1CCCCC1 ZINC000537848653 938389425 /nfs/dbraw/zinc/38/94/25/938389425.db2.gz MUHUHLAHASVSQH-FQEVSTJZSA-N 1 0 404.476 4.172 20 30 HIEDRO C[C@H](Cc1ccccc1)n1cccc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000538008260 938459199 /nfs/dbraw/zinc/45/91/99/938459199.db2.gz IEGKANAXGZHNEE-OAQYLSRUSA-N 1 0 414.553 4.367 20 30 HIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000538129187 938514340 /nfs/dbraw/zinc/51/43/40/938514340.db2.gz XMFKNDZUWHQPFV-RBUKOAKNSA-N 1 0 406.530 4.248 20 30 HIEDRO CC[C@@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000538152361 938524437 /nfs/dbraw/zinc/52/44/37/938524437.db2.gz ZSBIONVEBZFZML-JOCHJYFZSA-N 1 0 410.945 4.434 20 30 HIEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000538153982 938525498 /nfs/dbraw/zinc/52/54/98/938525498.db2.gz CLCVOEYYQVDUCG-SFHVURJKSA-N 1 0 406.507 4.475 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(-n2cccn2)cc1 ZINC000538234924 938568598 /nfs/dbraw/zinc/56/85/98/938568598.db2.gz MEOAPICDOSETIO-QZTJIDSGSA-N 1 0 419.554 4.413 20 30 HIEDRO CC(C)N1CC[C@@H](NC(=O)COc2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538600923 938659060 /nfs/dbraw/zinc/65/90/60/938659060.db2.gz LSLZUSOMYLIHPJ-DENIHFKCSA-N 1 0 415.896 4.070 20 30 HIEDRO N#CCCCOc1cccc(CN2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000538718431 938689690 /nfs/dbraw/zinc/68/96/90/938689690.db2.gz RNMPXBVSKINJSN-HSZRJFAPSA-N 1 0 419.525 4.297 20 30 HIEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000538787289 938711277 /nfs/dbraw/zinc/71/12/77/938711277.db2.gz OOFDWPOFEVUCSF-UHFFFAOYSA-N 1 0 419.569 4.114 20 30 HIEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000538874511 938729135 /nfs/dbraw/zinc/72/91/35/938729135.db2.gz MSWWBDDFLREERF-HSZRJFAPSA-N 1 0 405.546 4.375 20 30 HIEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000539209400 938819340 /nfs/dbraw/zinc/81/93/40/938819340.db2.gz BMGFFEJHLRCUKM-QHCPKHFHSA-N 1 0 402.542 4.385 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccccc2-n2cccn2)c1C ZINC000539263558 938829512 /nfs/dbraw/zinc/82/95/12/938829512.db2.gz YMTLIAFJABEYNB-FQEVSTJZSA-N 1 0 401.514 4.087 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000539302550 938836984 /nfs/dbraw/zinc/83/69/84/938836984.db2.gz BHIWVHWRRLXLDM-OAQYLSRUSA-N 1 0 418.541 4.281 20 30 HIEDRO COC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(F)c(F)c1 ZINC000539326964 938842342 /nfs/dbraw/zinc/84/23/42/938842342.db2.gz RIALDYGYAIHWBE-SFHVURJKSA-N 1 0 419.497 4.083 20 30 HIEDRO NC(=O)[C@H](C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1ccc(F)cc1 ZINC000539633336 938891127 /nfs/dbraw/zinc/89/11/27/938891127.db2.gz DOOZZZYCSPBFSL-ZDUSSCGKSA-N 1 0 422.344 4.297 20 30 HIEDRO CCN(C[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1)CC(F)(F)F ZINC000539849520 938957176 /nfs/dbraw/zinc/95/71/76/938957176.db2.gz BHOWIWMIUCCLQV-SFHVURJKSA-N 1 0 419.495 4.170 20 30 HIEDRO C[C@H](CCO)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1 ZINC000540057133 939053412 /nfs/dbraw/zinc/05/34/12/939053412.db2.gz YEBVTGPKKJNUKQ-QGZVFWFLSA-N 1 0 411.571 4.100 20 30 HIEDRO Cc1sc2nc([C@H](C)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)nc(N)c2c1C ZINC000540298502 939186577 /nfs/dbraw/zinc/18/65/77/939186577.db2.gz PUKPLPQOMWXLBR-INIZCTEOSA-N 1 0 420.586 4.031 20 30 HIEDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)ccc1S(C)(=O)=O ZINC000540314776 939191214 /nfs/dbraw/zinc/19/12/14/939191214.db2.gz XSTSWTYACPXZJR-QGZVFWFLSA-N 1 0 420.534 4.488 20 30 HIEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000540323974 939194234 /nfs/dbraw/zinc/19/42/34/939194234.db2.gz NBUFAYLJJQEGAS-GOSISDBHSA-N 1 0 411.521 4.082 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 ZINC000540333249 939198438 /nfs/dbraw/zinc/19/84/38/939198438.db2.gz ZXGBKXDRHDOQFZ-QGZVFWFLSA-N 1 0 420.513 4.306 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(OCc2ccccn2)c1 ZINC000540351721 939203952 /nfs/dbraw/zinc/20/39/52/939203952.db2.gz LZGQNUBRQNDRMS-INIZCTEOSA-N 1 0 406.511 4.273 20 30 HIEDRO Cc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000540362950 939211157 /nfs/dbraw/zinc/21/11/57/939211157.db2.gz PUIVGXOMUFAJPS-JOCHJYFZSA-N 1 0 401.514 4.368 20 30 HIEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000540378726 939219297 /nfs/dbraw/zinc/21/92/97/939219297.db2.gz CMFQMXRWECBSBU-KRWDZBQOSA-N 1 0 404.333 4.452 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)sc2c1CCCC2 ZINC000540389973 939227218 /nfs/dbraw/zinc/22/72/18/939227218.db2.gz KYAOONLPPCYKEZ-JTSKRJEESA-N 1 0 409.555 4.195 20 30 HIEDRO C[C@@H]([NH2+]C[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1)c1cccc(C#N)c1 ZINC000540596190 939315287 /nfs/dbraw/zinc/31/52/87/939315287.db2.gz BCHAHJYPDYVNMD-WHSLLNHNSA-N 1 0 401.913 4.463 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(N[C@@H](c3cccc(F)c3)c3ccccn3)CC2)cc1 ZINC000540607577 939317978 /nfs/dbraw/zinc/31/79/78/939317978.db2.gz DVFWLSMMVDXZEC-VWLOTQADSA-N 1 0 400.501 4.436 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]C3CCN(c4ccc(F)cc4F)CC3)CC2)nc1 ZINC000540982199 939424914 /nfs/dbraw/zinc/42/49/14/939424914.db2.gz APJONSBTXVBRHV-UHFFFAOYSA-N 1 0 412.484 4.180 20 30 HIEDRO N#CCC1CC[NH+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000541018450 939431908 /nfs/dbraw/zinc/43/19/08/939431908.db2.gz DDPHIHXJUSFAFT-QFIPXVFZSA-N 1 0 400.469 4.057 20 30 HIEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541085626 939454745 /nfs/dbraw/zinc/45/47/45/939454745.db2.gz KZBSSGWKTWWLFF-SFHVURJKSA-N 1 0 415.518 4.221 20 30 HIEDRO COc1ccccc1COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541086477 939455161 /nfs/dbraw/zinc/45/51/61/939455161.db2.gz DZRAFVMUWOLYAZ-DFBJGRDBSA-N 1 0 416.521 4.462 20 30 HIEDRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000541090366 939456279 /nfs/dbraw/zinc/45/62/79/939456279.db2.gz OFNUNXLVFMQATI-QGZVFWFLSA-N 1 0 412.493 4.473 20 30 HIEDRO COCCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000541096519 939458867 /nfs/dbraw/zinc/45/88/67/939458867.db2.gz ZKBYHFANYNYAPN-LJQANCHMSA-N 1 0 420.557 4.086 20 30 HIEDRO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541159259 939480962 /nfs/dbraw/zinc/48/09/62/939480962.db2.gz WVQNRGZBASBRAB-NTUVXCKYSA-N 1 0 402.542 4.412 20 30 HIEDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1C ZINC000541216192 939486111 /nfs/dbraw/zinc/48/61/11/939486111.db2.gz FEWREDFKQLRCNI-MDMXATFFSA-N 1 0 406.530 4.267 20 30 HIEDRO COc1cc(C[N@H+](C)C2CCC(NC(C)=O)CC2)ccc1OCc1cccc(C#N)c1 ZINC000541316817 939490649 /nfs/dbraw/zinc/49/06/49/939490649.db2.gz IPQIVRJCMPFCEU-UHFFFAOYSA-N 1 0 421.541 4.025 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000541624313 939573683 /nfs/dbraw/zinc/57/36/83/939573683.db2.gz SAUFIHKOSUEMLH-UHFFFAOYSA-N 1 0 420.738 4.178 20 30 HIEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)s2)cc1 ZINC000541640178 939581932 /nfs/dbraw/zinc/58/19/32/939581932.db2.gz NFZCCLDEUDAHQQ-KHJUTWJGSA-N 1 0 414.575 4.221 20 30 HIEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c1C#N ZINC000541646085 939585543 /nfs/dbraw/zinc/58/55/43/939585543.db2.gz WCPOVRMKODHHEZ-INIZCTEOSA-N 1 0 422.508 4.172 20 30 HIEDRO CN1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1c1cccs1 ZINC000541910178 939651906 /nfs/dbraw/zinc/65/19/06/939651906.db2.gz CIZDRDPGZKWZDB-QPPBQGQZSA-N 1 0 408.615 4.257 20 30 HIEDRO OC[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1 ZINC000541984888 939670192 /nfs/dbraw/zinc/67/01/92/939670192.db2.gz ZMDAZYMLYVDYNV-QGZVFWFLSA-N 1 0 414.221 4.022 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)CN[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1Cl ZINC000542529690 939837881 /nfs/dbraw/zinc/83/78/81/939837881.db2.gz PCDCPUCGJSYAHB-RTBURBONSA-N 1 0 416.997 4.138 20 30 HIEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542942466 939882816 /nfs/dbraw/zinc/88/28/16/939882816.db2.gz QHQYYNGKYXGYAV-VGOFRKELSA-N 1 0 416.477 4.044 20 30 HIEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)c1ccccc1 ZINC000542957230 939885790 /nfs/dbraw/zinc/88/57/90/939885790.db2.gz JSDJONXLYZFAGZ-MRXNPFEDSA-N 1 0 420.492 4.134 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000542966463 939887862 /nfs/dbraw/zinc/88/78/62/939887862.db2.gz CUFHGNTVOZCPCA-YZCUQEPOSA-N 1 0 415.584 4.108 20 30 HIEDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543029180 939898730 /nfs/dbraw/zinc/89/87/30/939898730.db2.gz AEDBSMKSZYGXHB-UUOWRZLLSA-N 1 0 405.542 4.196 20 30 HIEDRO C[C@@H](Sc1cccc(Cl)c1C#N)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000543032359 939899160 /nfs/dbraw/zinc/89/91/60/939899160.db2.gz XLZMOJBIULBUBU-MRXNPFEDSA-N 1 0 413.974 4.473 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@H+](Cc2ccc(C#N)cc2)C2CC2)sc2c1CCCC2 ZINC000543253909 940009168 /nfs/dbraw/zinc/00/91/68/940009168.db2.gz UXBXFWMZVMWCPU-UHFFFAOYSA-N 1 0 404.539 4.363 20 30 HIEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000543352332 940039282 /nfs/dbraw/zinc/03/92/82/940039282.db2.gz QUJIQIFTKXRTLO-UHFFFAOYSA-N 1 0 402.542 4.205 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000543363320 940042613 /nfs/dbraw/zinc/04/26/13/940042613.db2.gz IOBDOUDPZPQAQY-DVECYGJZSA-N 1 0 402.542 4.143 20 30 HIEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000543514162 940091550 /nfs/dbraw/zinc/09/15/50/940091550.db2.gz ZOEUIKVNIHFMJB-QDUSTFBWSA-N 1 0 402.539 4.351 20 30 HIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000543516194 940092832 /nfs/dbraw/zinc/09/28/32/940092832.db2.gz VEPIFRLMFJMSHJ-OAHLLOKOSA-N 1 0 411.552 4.115 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543875015 940220924 /nfs/dbraw/zinc/22/09/24/940220924.db2.gz CXBUVVMRESKZHX-QGZVFWFLSA-N 1 0 413.477 4.286 20 30 HIEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)C1 ZINC000544025330 940303096 /nfs/dbraw/zinc/30/30/96/940303096.db2.gz KKSKGZQYMAASJT-PRHODGIISA-N 1 0 422.291 4.396 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC(OC[C@H]4CCOC4)CC3)c2)c1 ZINC000544370910 940404414 /nfs/dbraw/zinc/40/44/14/940404414.db2.gz OQONEHGVQUMQMJ-QHCPKHFHSA-N 1 0 406.526 4.155 20 30 HIEDRO CCN(C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1)CC(F)(F)F ZINC000544608618 940489809 /nfs/dbraw/zinc/48/98/09/940489809.db2.gz YXPJWMJDKMXIBH-CQSZACIVSA-N 1 0 416.381 4.473 20 30 HIEDRO COc1c(Br)cc(Br)cc1CNc1cc(CC#N)ccn1 ZINC000546634031 940863016 /nfs/dbraw/zinc/86/30/16/940863016.db2.gz NEIKUUFSJPGLJU-UHFFFAOYSA-N 1 0 411.097 4.293 20 30 HIEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000548851206 941126547 /nfs/dbraw/zinc/12/65/47/941126547.db2.gz RNKRAPNKWCXMQW-UHFFFAOYSA-N 1 0 404.562 4.236 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)c1ccc(C#N)cc1 ZINC000548936211 941130854 /nfs/dbraw/zinc/13/08/54/941130854.db2.gz NMUDMBYYDUKZMM-GOSISDBHSA-N 1 0 423.520 4.389 20 30 HIEDRO CCN1CC[C@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549110853 941160774 /nfs/dbraw/zinc/16/07/74/941160774.db2.gz JPXMSDYBGBEBBQ-RBBKRZOGSA-N 1 0 414.912 4.104 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(C#N)cc1 ZINC000549174122 941168577 /nfs/dbraw/zinc/16/85/77/941168577.db2.gz NLQYXNDGKAKJRD-HNNXBMFYSA-N 1 0 404.495 4.161 20 30 HIEDRO C[NH+](C)C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(Cl)cc1 ZINC000549232322 941172733 /nfs/dbraw/zinc/17/27/33/941172733.db2.gz BIUZRHXUOZWTBG-NRFANRHFSA-N 1 0 423.900 4.416 20 30 HIEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000549249611 941174096 /nfs/dbraw/zinc/17/40/96/941174096.db2.gz GHHNZPNMBPBVHU-GMAHTHKFSA-N 1 0 416.573 4.340 20 30 HIEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000549273192 941175913 /nfs/dbraw/zinc/17/59/13/941175913.db2.gz VLTFWQMGNGWHTI-UGKGYDQZSA-N 1 0 409.553 4.037 20 30 HIEDRO CC(C)C(=O)c1ccc([C@H](C)C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000549290453 941177364 /nfs/dbraw/zinc/17/73/64/941177364.db2.gz QMTDVPGWBKUUKW-FQEVSTJZSA-N 1 0 417.553 4.303 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000549291036 941177528 /nfs/dbraw/zinc/17/75/28/941177528.db2.gz AIWWULOILFATSA-SFHVURJKSA-N 1 0 417.985 4.255 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000549668268 941203753 /nfs/dbraw/zinc/20/37/53/941203753.db2.gz SJFIBMAKBFWBEG-SIKLNZKXSA-N 1 0 415.626 4.290 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)c1ncc(C#N)cc1C)c1ccc(C(F)(F)F)cc1 ZINC000549699972 941205073 /nfs/dbraw/zinc/20/50/73/941205073.db2.gz QVMNQQHTOKMDTB-GOSISDBHSA-N 1 0 404.436 4.093 20 30 HIEDRO C=C(C)COc1cc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)ccc1OC ZINC000549849493 941214572 /nfs/dbraw/zinc/21/45/72/941214572.db2.gz ZOMZVCXTRUZOEL-UHFFFAOYSA-N 1 0 404.514 4.395 20 30 HIEDRO N#Cc1cccc(NC(=O)CC[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)c1 ZINC000550028251 941268757 /nfs/dbraw/zinc/26/87/57/941268757.db2.gz FOLLFGLYZILYGJ-UHFFFAOYSA-N 1 0 415.896 4.061 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH2+]C2(c3cccc(C#N)c3)CC2)sc2c1CCCCC2 ZINC000551712857 941531350 /nfs/dbraw/zinc/53/13/50/941531350.db2.gz MGPDIPNMKYYRLS-UHFFFAOYSA-N 1 0 404.539 4.368 20 30 HIEDRO COc1ccc([C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)N2CCCCC2)cc1 ZINC000552034044 941571210 /nfs/dbraw/zinc/57/12/10/941571210.db2.gz AWUYWPMOVXNUPP-AREMUKBSSA-N 1 0 418.585 4.352 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]C[C@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)CC2)cc1 ZINC000552056776 941575810 /nfs/dbraw/zinc/57/58/10/941575810.db2.gz RORGTXCBZDWZMU-LOSJGSFVSA-N 1 0 407.533 4.030 20 30 HIEDRO CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)s1 ZINC000552089741 941583281 /nfs/dbraw/zinc/58/32/81/941583281.db2.gz UJGIYPMKRKYGSM-RVOGRPJXSA-N 1 0 411.575 4.057 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000552786912 941762829 /nfs/dbraw/zinc/76/28/29/941762829.db2.gz FRMDCLGGSSCSIU-UHFFFAOYSA-N 1 0 407.518 4.122 20 30 HIEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(C#N)cc3OC(F)F)ccc2NC1=O ZINC000553010242 941815027 /nfs/dbraw/zinc/81/50/27/941815027.db2.gz AADIYTUTHMVRLF-YVEFUNNKSA-N 1 0 401.413 4.120 20 30 HIEDRO COc1ccc([C@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)[NH+]2CCCCC2)cc1 ZINC000554262033 942083148 /nfs/dbraw/zinc/08/31/48/942083148.db2.gz UXWWFQKDHYWAJJ-QHCPKHFHSA-N 1 0 418.541 4.082 20 30 HIEDRO C[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C[NH+]1CCCC1 ZINC000554843724 942282137 /nfs/dbraw/zinc/28/21/37/942282137.db2.gz LQABLWSKEWOIRA-IBGZPJMESA-N 1 0 408.521 4.141 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555131388 942396365 /nfs/dbraw/zinc/39/63/65/942396365.db2.gz MUUFDPQOSJNXJK-CBQOVEMMSA-N 1 0 422.976 4.037 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000555237834 942440353 /nfs/dbraw/zinc/44/03/53/942440353.db2.gz QUSJREQMTRHMMT-XSDIEEQYSA-N 1 0 401.599 4.043 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000555237831 942440670 /nfs/dbraw/zinc/44/06/70/942440670.db2.gz QUSJREQMTRHMMT-DOIPELPJSA-N 1 0 401.599 4.043 20 30 HIEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000555249634 942446133 /nfs/dbraw/zinc/44/61/33/942446133.db2.gz UTVXSDSOZBYYPV-FQEVSTJZSA-N 1 0 416.573 4.382 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000555267075 942455201 /nfs/dbraw/zinc/45/52/01/942455201.db2.gz MSNWILCVBGFZQD-QGZVFWFLSA-N 1 0 415.969 4.322 20 30 HIEDRO C=CCc1cc(C[NH2+][C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc(OC)c1O ZINC000555627824 942679865 /nfs/dbraw/zinc/67/98/65/942679865.db2.gz YDXYQTVNQYBKAB-IIBYNOLFSA-N 1 0 412.505 4.110 20 30 HIEDRO C[C@@H]([NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1)C(=O)Nc1ccccc1C#N ZINC000555696728 942704522 /nfs/dbraw/zinc/70/45/22/942704522.db2.gz DGXXMPDVVQBYGE-OAHLLOKOSA-N 1 0 415.896 4.059 20 30 HIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000556896955 942956850 /nfs/dbraw/zinc/95/68/50/942956850.db2.gz IBSVLHDTLFHPJZ-SKBVVQJISA-N 1 0 403.570 4.464 20 30 HIEDRO CC(C)(C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1cc(F)cc(C#N)c1 ZINC000556920520 942966298 /nfs/dbraw/zinc/96/62/98/942966298.db2.gz MUQPDHGYUOMLJT-URXFXBBRSA-N 1 0 419.544 4.488 20 30 HIEDRO CCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)C[C@@H]1CCCCO1 ZINC000557376257 943092679 /nfs/dbraw/zinc/09/26/79/943092679.db2.gz GRPLCICTFVYJFF-QFIPXVFZSA-N 1 0 422.573 4.245 20 30 HIEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000557568933 943213457 /nfs/dbraw/zinc/21/34/57/943213457.db2.gz BYRGTNZZRRISFG-KRWDZBQOSA-N 1 0 408.498 4.489 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)c1C ZINC000558118993 943385456 /nfs/dbraw/zinc/38/54/56/943385456.db2.gz VOGRRXBFMSZCLF-UHFFFAOYSA-N 1 0 423.532 4.370 20 30 HIEDRO COC[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cccc(Cl)c1F ZINC000558257462 943462767 /nfs/dbraw/zinc/46/27/67/943462767.db2.gz MZHWWYGVQMYTRW-RJYAGPCLSA-N 1 0 403.885 4.413 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC4(CCC4)[C@H]3[C@@H]3CCCO3)sc2C1 ZINC000558476059 943570090 /nfs/dbraw/zinc/57/00/90/943570090.db2.gz JHGPETGRMIYNJU-FYINFDKHSA-N 1 0 413.587 4.107 20 30 HIEDRO C[C@H]([NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000558740925 943636704 /nfs/dbraw/zinc/63/67/04/943636704.db2.gz FFUOMWWLJKERLE-XDHUDOTRSA-N 1 0 401.535 4.445 20 30 HIEDRO CCN1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000558902095 943736580 /nfs/dbraw/zinc/73/65/80/943736580.db2.gz MGEALVDNMSQOIY-PUCZYUMASA-N 1 0 414.912 4.103 20 30 HIEDRO C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000558984269 943786437 /nfs/dbraw/zinc/78/64/37/943786437.db2.gz SETZAUQBBIIILW-UHFFFAOYSA-N 1 0 407.606 4.484 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000558990473 943791181 /nfs/dbraw/zinc/79/11/81/943791181.db2.gz ZMGBVKYDEMXNHB-VXKWHMMOSA-N 1 0 409.578 4.066 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000559022085 943807631 /nfs/dbraw/zinc/80/76/31/943807631.db2.gz DNDDVUKPIHCTDM-KRWDZBQOSA-N 1 0 401.530 4.100 20 30 HIEDRO C=CCC[C@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000559486508 943978642 /nfs/dbraw/zinc/97/86/42/943978642.db2.gz IDVHBLFMBIENGV-DEOSSOPVSA-N 1 0 419.569 4.112 20 30 HIEDRO C=CCc1cc(C(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc(OC)c1OC ZINC000560756584 944321689 /nfs/dbraw/zinc/32/16/89/944321689.db2.gz KZQDNUKREUPVDA-SANMLTNESA-N 1 0 420.553 4.171 20 30 HIEDRO N#Cc1cccc(OCCCCC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000560763181 944324723 /nfs/dbraw/zinc/32/47/23/944324723.db2.gz XMJWBFAHGQNYBV-AREMUKBSSA-N 1 0 417.553 4.232 20 30 HIEDRO N#Cc1ccc(OC2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)c(F)c1 ZINC000560768403 944325728 /nfs/dbraw/zinc/32/57/28/944325728.db2.gz WDCVIKIKAPPANR-UHFFFAOYSA-N 1 0 421.516 4.367 20 30 HIEDRO C[C@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000561057466 944419968 /nfs/dbraw/zinc/41/99/68/944419968.db2.gz SVBVLHHIGHUYCW-QZTJIDSGSA-N 1 0 416.997 4.055 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](CCCOC)c2ccc(Cl)cc2)CC1 ZINC000561536551 944661482 /nfs/dbraw/zinc/66/14/82/944661482.db2.gz MKGIYRSISROXPX-LJQANCHMSA-N 1 0 407.986 4.190 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH2+][C@H](CCO)c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000561917879 944855638 /nfs/dbraw/zinc/85/56/38/944855638.db2.gz OXAWURXUCICIOE-GOSISDBHSA-N 1 0 417.962 4.194 20 30 HIEDRO C=CCOc1c(Br)cc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1OCC ZINC000561983075 944885389 /nfs/dbraw/zinc/88/53/89/944885389.db2.gz NAODBZXCGVAMIF-YJBOKZPZSA-N 1 0 411.384 4.185 20 30 HIEDRO N#Cc1ccc(CSCC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000562187002 945010197 /nfs/dbraw/zinc/01/01/97/945010197.db2.gz QNJGUZUXCBYRSD-QHCPKHFHSA-N 1 0 407.583 4.210 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000564395087 945553126 /nfs/dbraw/zinc/55/31/26/945553126.db2.gz IOYPUNJLFHSYPE-ISKFKSNPSA-N 1 0 424.976 4.239 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000564412531 945564661 /nfs/dbraw/zinc/56/46/61/945564661.db2.gz FEQYCDZFQLDYQS-OAQYLSRUSA-N 1 0 420.557 4.026 20 30 HIEDRO C=CCn1c(CCc2ccco2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000565332452 945813294 /nfs/dbraw/zinc/81/32/94/945813294.db2.gz QSEZDRWBCPIKOR-UNMCSNQZSA-N 1 0 419.573 4.332 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000566038988 945988355 /nfs/dbraw/zinc/98/83/55/945988355.db2.gz UMGAWZAALZPTDJ-WZONZLPQSA-N 1 0 421.516 4.145 20 30 HIEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCC(c2ccccc2)c2ccccc2)cc1 ZINC000566713693 946082409 /nfs/dbraw/zinc/08/24/09/946082409.db2.gz ARAGVBWLYQMVNU-UHFFFAOYSA-N 1 0 404.535 4.144 20 30 HIEDRO Cc1n[nH]c(C)c1[C@H]1CCCCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000569112978 946817785 /nfs/dbraw/zinc/81/77/85/946817785.db2.gz VNGQCLYKXRPXIG-OAQYLSRUSA-N 1 0 403.534 4.316 20 30 HIEDRO COc1ccc([C@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)c2ccc(F)cc2)cc1 ZINC000569184732 946835373 /nfs/dbraw/zinc/83/53/73/946835373.db2.gz AIJBMBVUUZWEKF-WIOPSUGQSA-N 1 0 420.484 4.019 20 30 HIEDRO N#CCCCOc1cccc(C[N@H+]2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)c1 ZINC000569626062 946898871 /nfs/dbraw/zinc/89/88/71/946898871.db2.gz SXVVZYDGWKIRQD-LJQANCHMSA-N 1 0 405.420 4.436 20 30 HIEDRO C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000569890775 947037876 /nfs/dbraw/zinc/03/78/76/947037876.db2.gz QCEQNDGRKIFGQG-IBGZPJMESA-N 1 0 405.546 4.289 20 30 HIEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000571146390 947528132 /nfs/dbraw/zinc/52/81/32/947528132.db2.gz OGYUQXQBGPDGIW-HXUWFJFHSA-N 1 0 408.594 4.397 20 30 HIEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(CCC#N)c2ccc(F)cc2)C1 ZINC000571148962 947528759 /nfs/dbraw/zinc/52/87/59/947528759.db2.gz JJSFIIQQLVTAIY-UHFFFAOYSA-N 1 0 418.516 4.494 20 30 HIEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000571353625 947613701 /nfs/dbraw/zinc/61/37/01/947613701.db2.gz OUUMKDWYHAVMCU-UGKGYDQZSA-N 1 0 418.541 4.422 20 30 HIEDRO O=C(CN[C@@H](CO)c1ccc(F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000571554476 947699274 /nfs/dbraw/zinc/69/92/74/947699274.db2.gz WYRSLEOMDNEGNY-HNNXBMFYSA-N 1 0 424.316 4.125 20 30 HIEDRO COc1ccc([C@@H](CCC#N)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000571752722 947774246 /nfs/dbraw/zinc/77/42/46/947774246.db2.gz PZOZFPQAPQXYQZ-YDIMBITNSA-N 1 0 421.541 4.079 20 30 HIEDRO COc1cccc([C@@H](C[NH2+]C[C@H](C#N)CCC#N)c2c[nH]c3ccccc32)c1OC ZINC000571945666 947819022 /nfs/dbraw/zinc/81/90/22/947819022.db2.gz QASCLVPSGQLBNG-FXAWDEMLSA-N 1 0 402.498 4.350 20 30 HIEDRO C=CCn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000572325936 947884838 /nfs/dbraw/zinc/88/48/38/947884838.db2.gz YHYSXBZWNUVFGP-HJNYFJLDSA-N 1 0 423.605 4.093 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)cc1 ZINC000572430275 947901146 /nfs/dbraw/zinc/90/11/46/947901146.db2.gz ODVBTQOPJVOALL-UHFFFAOYSA-N 1 0 404.392 4.244 20 30 HIEDRO CCN(CC)[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1cccc(OC)c1 ZINC000572744126 947998158 /nfs/dbraw/zinc/99/81/58/947998158.db2.gz FUOUMGXETYJYHM-RUZDIDTESA-N 1 0 406.574 4.208 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000573046647 948069802 /nfs/dbraw/zinc/06/98/02/948069802.db2.gz FVYZWDYETITASD-GHTZIAJQSA-N 1 0 406.530 4.474 20 30 HIEDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000573513352 948223917 /nfs/dbraw/zinc/22/39/17/948223917.db2.gz AHAPBGXJKJCLBP-UHFFFAOYSA-N 1 0 420.534 4.221 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCCC[C@@H]1c1ccccc1 ZINC000573770669 948296988 /nfs/dbraw/zinc/29/69/88/948296988.db2.gz SBFLHBCESAPOMB-JOCHJYFZSA-N 1 0 408.546 4.179 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2cccc(N3CCOCC3)c2)c1 ZINC000573904397 948325245 /nfs/dbraw/zinc/32/52/45/948325245.db2.gz XTQBLPNJOXEFEQ-UHFFFAOYSA-N 1 0 413.521 4.264 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1OC ZINC000575164216 948614319 /nfs/dbraw/zinc/61/43/19/948614319.db2.gz ZRBDIVGHEPTLCU-YJBOKZPZSA-N 1 0 409.368 4.081 20 30 HIEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000575839405 948734038 /nfs/dbraw/zinc/73/40/38/948734038.db2.gz GQDGQNYMHGJQCV-SFHVURJKSA-N 1 0 413.541 4.198 20 30 HIEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCC(C4C[NH2+]C4)CC3)cnc2Cl)c1 ZINC001164614316 719038307 /nfs/dbraw/zinc/03/83/07/719038307.db2.gz AKGBYIGYZURAPQ-UHFFFAOYSA-N 1 0 402.876 4.254 20 30 HIEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164619222 719043863 /nfs/dbraw/zinc/04/38/63/719043863.db2.gz CBJCHAAEJBXANV-LPHOPBHVSA-N 1 0 423.294 4.388 20 30 HIEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628526 719080344 /nfs/dbraw/zinc/08/03/44/719080344.db2.gz SGSKYSGJJFCYMS-LPHOPBHVSA-N 1 0 402.876 4.252 20 30 HIEDRO N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)cnc2Cl)cc1 ZINC001164621870 719126931 /nfs/dbraw/zinc/12/69/31/719126931.db2.gz NMFRJBIBYQXKEI-QAPCUYQASA-N 1 0 420.866 4.332 20 30 HIEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc3ccccc3c(Cl)c1C#N)[C@H]2C ZINC001164860418 720998521 /nfs/dbraw/zinc/99/85/21/720998521.db2.gz OAMZYIFQCAEECS-HNNXBMFYSA-N 1 0 408.937 4.378 20 30 HIEDRO N#Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc2ccc(Cl)cc12 ZINC001164904746 721563411 /nfs/dbraw/zinc/56/34/11/721563411.db2.gz FLIPNTITNFIPSL-UYAOXDASSA-N 1 0 422.891 4.241 20 30 HIEDRO Cc1cc(Cl)nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1C#N ZINC001164904737 721585436 /nfs/dbraw/zinc/58/54/36/721585436.db2.gz FYTBKOUKRILZER-HXUWFJFHSA-N 1 0 417.891 4.048 20 30 HIEDRO CC(C)c1ccc(C#N)c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908488 721586153 /nfs/dbraw/zinc/58/61/53/721586153.db2.gz ZLBMNJWSQLFKQI-QFIPXVFZSA-N 1 0 411.500 4.209 20 30 HIEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nc(C)c(C#N)cc4Cl)CC3)C2)cc1 ZINC001164941838 721933251 /nfs/dbraw/zinc/93/32/51/721933251.db2.gz JXRKPGWCNUZFSL-UHFFFAOYSA-N 1 0 410.949 4.095 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)s1)C(=O)N(CCC#N)c1ccccc1 ZINC000435977788 861243466 /nfs/dbraw/zinc/24/34/66/861243466.db2.gz YGNVYSMQCOQTHY-KBPBESRZSA-N 1 0 406.349 4.497 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)C(=O)N(CCC#N)c1ccccc1 ZINC000435977790 861244357 /nfs/dbraw/zinc/24/43/57/861244357.db2.gz YGNVYSMQCOQTHY-UONOGXRCSA-N 1 0 406.349 4.497 20 30 HIEDRO Cc1oc(C#N)cc1C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000436067357 861350015 /nfs/dbraw/zinc/35/00/15/861350015.db2.gz QKKXWBQBMIQKSI-UHFFFAOYSA-N 1 0 414.509 4.030 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)Nc2ccccc2)cc1 ZINC000010170284 845625903 /nfs/dbraw/zinc/62/59/03/845625903.db2.gz XESCOVJDNZGYID-UHFFFAOYSA-O 1 0 406.487 4.496 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000436288416 861594124 /nfs/dbraw/zinc/59/41/24/861594124.db2.gz FEIYKMAVLULVKE-OYDLWJJNSA-N 1 0 413.583 4.367 20 30 HIEDRO O=C(c1ccc2c(c1)CCC2)C(C(=S)Nc1ccc(F)cc1)[n+]1cccc(CO)c1 ZINC000010829809 845712576 /nfs/dbraw/zinc/71/25/76/845712576.db2.gz LJZIWEQWTLIJAZ-UHFFFAOYSA-O 1 0 421.517 4.145 20 30 HIEDRO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c([N+](=O)[O-])c1 ZINC000014703393 845971293 /nfs/dbraw/zinc/97/12/93/845971293.db2.gz LOYPJFPVDBUWGD-UHFFFAOYSA-N 1 0 404.392 4.198 20 30 HIEDRO Cc1ccc(NC(=S)C(C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccccc2)cc1F ZINC000014872422 845988294 /nfs/dbraw/zinc/98/82/94/845988294.db2.gz LELBEAVYCKXSON-UHFFFAOYSA-O 1 0 410.450 4.381 20 30 HIEDRO Cc1ccc(NC(=S)C(C(=O)c2ccc3c(c2)OCCO3)[n+]2ccccc2)cc1F ZINC000014872481 845988635 /nfs/dbraw/zinc/98/86/35/845988635.db2.gz LNLARMNUKUQHDE-UHFFFAOYSA-O 1 0 423.489 4.244 20 30 HIEDRO CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406137 846438983 /nfs/dbraw/zinc/43/89/83/846438983.db2.gz QMSZXSXTWCMYEL-FQEVSTJZSA-N 1 0 404.558 4.217 20 30 HIEDRO C=CCNC(=S)C(C(=O)c1ccccc1Br)[n+]1ccc(CC)cc1 ZINC000022687372 846603872 /nfs/dbraw/zinc/60/38/72/846603872.db2.gz LPMLDXXYLCTTDO-UHFFFAOYSA-O 1 0 404.353 4.013 20 30 HIEDRO CCOc1ccc(C(=O)C(C(=S)NCc2ccccc2)[n+]2cccc(C)c2)cc1 ZINC000022730767 846610627 /nfs/dbraw/zinc/61/06/27/846610627.db2.gz HHGKAPREDJVDJN-UHFFFAOYSA-O 1 0 405.543 4.410 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccc(N(C)C)cc1 ZINC000022796427 846621517 /nfs/dbraw/zinc/62/15/17/846621517.db2.gz FJXBYKMYDXVHBR-UHFFFAOYSA-O 1 0 423.389 4.451 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2cc(C)[nH]c2C)C(=S)NCCc2ccccc2)cc1 ZINC000023604828 846728738 /nfs/dbraw/zinc/72/87/38/846728738.db2.gz OMBNHLCKFYMSPR-UHFFFAOYSA-O 1 0 406.575 4.253 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(OC)cc1OC)[n+]1ccc(CCC)cc1 ZINC000027311326 847281590 /nfs/dbraw/zinc/28/15/90/847281590.db2.gz LCSLQZZMFOMJFP-UHFFFAOYSA-O 1 0 413.563 4.048 20 30 HIEDRO C=CCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1OC ZINC000027668816 847335363 /nfs/dbraw/zinc/33/53/63/847335363.db2.gz OVTKJWLMNIRFOW-QFIPXVFZSA-N 1 0 424.541 4.226 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000028350001 847410590 /nfs/dbraw/zinc/41/05/90/847410590.db2.gz GSMLEIJXUZKZJQ-KBPBESRZSA-N 1 0 410.905 4.238 20 30 HIEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(Br)s1 ZINC000028885095 847471699 /nfs/dbraw/zinc/47/16/99/847471699.db2.gz KTJXTKTXIVZBRF-UHFFFAOYSA-N 1 0 412.740 4.496 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nc(C)c(Cc3ccc(F)cc3)s2)CC1 ZINC000436491719 861822643 /nfs/dbraw/zinc/82/26/43/861822643.db2.gz SOGPONQVCNOPFE-UHFFFAOYSA-N 1 0 402.539 4.343 20 30 HIEDRO CCNC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(C(CC)CC)cc1 ZINC000032813754 848079209 /nfs/dbraw/zinc/07/92/09/848079209.db2.gz QQJPSKIIZMDNDH-UHFFFAOYSA-O 1 0 400.524 4.334 20 30 HIEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000043506052 848433298 /nfs/dbraw/zinc/43/32/98/848433298.db2.gz PHGLLHUNKUCRDU-IBGZPJMESA-N 1 0 413.521 4.371 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000043717925 848453017 /nfs/dbraw/zinc/45/30/17/848453017.db2.gz UGZWLYDVDXORCW-JOCHJYFZSA-N 1 0 410.949 4.436 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000045786262 848727552 /nfs/dbraw/zinc/72/75/52/848727552.db2.gz FCLMFTLYZJVGSE-RTBURBONSA-N 1 0 413.587 4.255 20 30 HIEDRO CC(C)Oc1ccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000046065846 848780143 /nfs/dbraw/zinc/78/01/43/848780143.db2.gz KTJDMGHZYKYFKQ-LJQANCHMSA-N 1 0 408.546 4.180 20 30 HIEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000046129828 848787867 /nfs/dbraw/zinc/78/78/67/848787867.db2.gz WRVXXPGRBCNJOU-BGYRXZFFSA-N 1 0 404.558 4.378 20 30 HIEDRO COc1ccc2[nH]cc(C3=CC[N@H+](CCC(=O)Nc4ccc(C#N)cc4)CC3)c2c1 ZINC000047257331 849015392 /nfs/dbraw/zinc/01/53/92/849015392.db2.gz PDBFXZXQEVLDLY-UHFFFAOYSA-N 1 0 400.482 4.166 20 30 HIEDRO COc1cc(OC)c(OC)cc1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000047698053 849092689 /nfs/dbraw/zinc/09/26/89/849092689.db2.gz KCCDTIRXNSFKTK-UHFFFAOYSA-N 1 0 418.493 4.453 20 30 HIEDRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000048078760 849160300 /nfs/dbraw/zinc/16/03/00/849160300.db2.gz QAEHKZQXWTZFFW-UHFFFAOYSA-N 1 0 412.456 4.083 20 30 HIEDRO C[C@@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C[NH+]1CCCCC1 ZINC000048126301 849173671 /nfs/dbraw/zinc/17/36/71/849173671.db2.gz PYLNPPBLYGTDGT-SFHVURJKSA-N 1 0 419.529 4.054 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cccc(OC(F)F)c1 ZINC000050957116 849421534 /nfs/dbraw/zinc/42/15/34/849421534.db2.gz HECWAZOODQRDBW-UHFFFAOYSA-N 1 0 408.518 4.386 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1C ZINC000052212819 849560496 /nfs/dbraw/zinc/56/04/96/849560496.db2.gz XQKHWSLALQMIQU-QFIPXVFZSA-N 1 0 408.546 4.097 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1C ZINC000052212822 849561719 /nfs/dbraw/zinc/56/17/19/849561719.db2.gz XQKHWSLALQMIQU-JOCHJYFZSA-N 1 0 408.546 4.097 20 30 HIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000054227780 849830123 /nfs/dbraw/zinc/83/01/23/849830123.db2.gz LAHJADRSCVDCKA-NQIIRXRSSA-N 1 0 415.493 4.296 20 30 HIEDRO COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000057042238 850538593 /nfs/dbraw/zinc/53/85/93/850538593.db2.gz PPFSPHYZMRNUJD-QHCPKHFHSA-N 1 0 417.553 4.111 20 30 HIEDRO C=CCOc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)cc1OC ZINC000058952293 850966848 /nfs/dbraw/zinc/96/68/48/850966848.db2.gz SRZCMJORJDIXQW-IBGZPJMESA-N 1 0 408.542 4.422 20 30 HIEDRO C=CCOc1c(Br)cc(CNCCC[N@@H+]2CCCC[C@@H]2C)cc1OC ZINC000061029091 851277997 /nfs/dbraw/zinc/27/79/97/851277997.db2.gz XKEOPHPPJHRVST-INIZCTEOSA-N 1 0 411.384 4.377 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000062230879 851512516 /nfs/dbraw/zinc/51/25/16/851512516.db2.gz RHJISFCKWXMAAN-GOSISDBHSA-N 1 0 420.582 4.195 20 30 HIEDRO C=CCN(CCc1ccccc1)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000063331115 851662895 /nfs/dbraw/zinc/66/28/95/851662895.db2.gz FWGPPZOIEIPNKR-UHFFFAOYSA-N 1 0 421.585 4.348 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(N=Nc3ncnc4sc5c(c43)CCC5)CC2)cc1 ZINC000063361088 851670064 /nfs/dbraw/zinc/67/00/64/851670064.db2.gz QIQGMPYLSDDNCC-UHFFFAOYSA-N 1 0 402.527 4.116 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000063400907 851679318 /nfs/dbraw/zinc/67/93/18/851679318.db2.gz POKZEBPMNDFDGM-UHFFFAOYSA-N 1 0 408.502 4.088 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000063403311 851680397 /nfs/dbraw/zinc/68/03/97/851680397.db2.gz SXFVZSUNPIHICU-HDICACEKSA-N 1 0 402.539 4.049 20 30 HIEDRO CCc1c(C(=O)C(C(=S)NC2CCCCC2)[n+]2ccccc2)[nH]c(C)c1C(C)=O ZINC000063440666 851689871 /nfs/dbraw/zinc/68/98/71/851689871.db2.gz DGZXODJLWNWQJU-UHFFFAOYSA-O 1 0 412.579 4.237 20 30 HIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c(C)c1 ZINC000437107671 862296006 /nfs/dbraw/zinc/29/60/06/862296006.db2.gz QERYJFGZZLHUHJ-PELRDEGISA-N 1 0 406.530 4.267 20 30 HIEDRO COc1ccc(C[NH2+]CC2(c3ccc(F)cc3)CCOCC2)cc1OCCCC#N ZINC000064614303 851940451 /nfs/dbraw/zinc/94/04/51/851940451.db2.gz UXHJIPANSRLZAO-UHFFFAOYSA-N 1 0 412.505 4.355 20 30 HIEDRO CC[N@H+](CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000065432896 852130625 /nfs/dbraw/zinc/13/06/25/852130625.db2.gz SMEKFWWIRNPAFV-JPYJTQIMSA-N 1 0 421.541 4.322 20 30 HIEDRO CCC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)Cc1ccc(C#N)cc1 ZINC000097491139 852618311 /nfs/dbraw/zinc/61/83/11/852618311.db2.gz ITMHFCOFZUCKHE-JOCHJYFZSA-N 1 0 421.541 4.151 20 30 HIEDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000105422643 852704656 /nfs/dbraw/zinc/70/46/56/852704656.db2.gz CNHGMLISGXPMAX-FQEVSTJZSA-N 1 0 413.905 4.395 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CSCc2ccc(C#N)cc2)cc1 ZINC000107715046 852789114 /nfs/dbraw/zinc/78/91/14/852789114.db2.gz UARLQRIWGGCVPG-IBGZPJMESA-N 1 0 407.583 4.482 20 30 HIEDRO CC(C)[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)[NH+]1CCC(C)CC1 ZINC000108147127 852826009 /nfs/dbraw/zinc/82/60/09/852826009.db2.gz WAPFDLRGUWEWJP-NRFANRHFSA-N 1 0 409.530 4.217 20 30 HIEDRO Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000108591483 852862590 /nfs/dbraw/zinc/86/25/90/852862590.db2.gz MQENBMTUFYKLDO-DEOSSOPVSA-N 1 0 405.542 4.005 20 30 HIEDRO C#CC[NH+]1CCC(C(=O)Nc2ccc(OC(F)F)c(-c3ccc(OC)cc3)c2)CC1 ZINC000108712300 852874013 /nfs/dbraw/zinc/87/40/13/852874013.db2.gz MGDDAQAOYZCCKH-UHFFFAOYSA-N 1 0 414.452 4.247 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1)C(C)C ZINC000110170173 853068487 /nfs/dbraw/zinc/06/84/87/853068487.db2.gz XEBQARWCDKTAJY-UHFFFAOYSA-N 1 0 418.585 4.137 20 30 HIEDRO CN(C(=O)C[N@H+](CCCO)C(c1ccccc1)c1ccccc1)C1(C#N)CCCCC1 ZINC000110933497 853170417 /nfs/dbraw/zinc/17/04/17/853170417.db2.gz DMQWTZNWZGQTAK-UHFFFAOYSA-N 1 0 419.569 4.145 20 30 HIEDRO N#Cc1c(C[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cn2ccccc12 ZINC000110987922 853181002 /nfs/dbraw/zinc/18/10/02/853181002.db2.gz YFPFKKNJQPANBC-KRWDZBQOSA-N 1 0 401.445 4.380 20 30 HIEDRO CCN(C(=O)CSCc1ccc(C#N)cc1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000115990106 853276969 /nfs/dbraw/zinc/27/69/69/853276969.db2.gz RLTSVKVGMLJSAV-CVDCTZTESA-N 1 0 407.583 4.475 20 30 HIEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000116179010 853290102 /nfs/dbraw/zinc/29/01/02/853290102.db2.gz ZWWPAXQPCJRTBC-UHFFFAOYSA-N 1 0 420.538 4.360 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](Cc1ccc(C)s1)C(C)C ZINC000138934816 853399683 /nfs/dbraw/zinc/39/96/83/853399683.db2.gz PLSNRFYNMJBWPS-UHFFFAOYSA-N 1 0 416.591 4.232 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1C ZINC000149883555 853633894 /nfs/dbraw/zinc/63/38/94/853633894.db2.gz PXGWQDPXNXFGJU-HXUWFJFHSA-N 1 0 407.562 4.075 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000150218103 853640401 /nfs/dbraw/zinc/64/04/01/853640401.db2.gz FIRUGAZKEDZCEJ-UHFFFAOYSA-N 1 0 407.558 4.305 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)c1 ZINC000236599985 853901482 /nfs/dbraw/zinc/90/14/82/853901482.db2.gz SQVNZFXTXVXXOW-UHFFFAOYSA-N 1 0 403.276 4.150 20 30 HIEDRO CN(C)C(=O)c1cccc(CC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c1 ZINC000237075046 853960958 /nfs/dbraw/zinc/96/09/58/853960958.db2.gz WEGJSMAMXDKNHO-UHFFFAOYSA-N 1 0 413.521 4.171 20 30 HIEDRO COc1ccc(C)cc1C1(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)CCOCC1 ZINC000237185187 853978002 /nfs/dbraw/zinc/97/80/02/853978002.db2.gz IVJIULDONFDHCJ-UHFFFAOYSA-N 1 0 407.558 4.192 20 30 HIEDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OCCCC#N ZINC000237324221 854006983 /nfs/dbraw/zinc/00/69/83/854006983.db2.gz YQDKXLJCVPKFSP-HXUWFJFHSA-N 1 0 422.504 4.147 20 30 HIEDRO C=CCOc1ccc(C[NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)cc1 ZINC000237461355 854036705 /nfs/dbraw/zinc/03/67/05/854036705.db2.gz FNHFHQKGQVYIQO-UHFFFAOYSA-N 1 0 424.522 4.132 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000237645294 854067886 /nfs/dbraw/zinc/06/78/86/854067886.db2.gz ZEDZAGZFTNAZOD-HSZRJFAPSA-N 1 0 413.949 4.186 20 30 HIEDRO N#Cc1ccc2ncc(C[NH2+]C3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)n2c1 ZINC000237685761 854076146 /nfs/dbraw/zinc/07/61/46/854076146.db2.gz HTAWFZWJLPJHOS-UHFFFAOYSA-N 1 0 414.340 4.267 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(Oc4cnccn4)cc3)C2)c(F)c1 ZINC000237715005 854081867 /nfs/dbraw/zinc/08/18/67/854081867.db2.gz TWKXYGCWUHLYMT-IBGZPJMESA-N 1 0 403.461 4.038 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCCNC(=O)c2cccs2)c1 ZINC000238057987 854138684 /nfs/dbraw/zinc/13/86/84/854138684.db2.gz NMOLXHZTFAYEMS-UHFFFAOYSA-N 1 0 405.523 4.108 20 30 HIEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000301104299 854297703 /nfs/dbraw/zinc/29/77/03/854297703.db2.gz SRAUPNHFGSLSMK-UHFFFAOYSA-N 1 0 409.440 4.179 20 30 HIEDRO C[C@H]1C[C@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000301529804 854414225 /nfs/dbraw/zinc/41/42/25/854414225.db2.gz JGMQDPPZPVHLRT-QFBILLFUSA-N 1 0 401.470 4.480 20 30 HIEDRO Cc1cc(C)c2ncc(C#N)c(NCc3ccccc3C[N@@H+]3CCC[C@@H]3CO)c2c1 ZINC000302875395 854662935 /nfs/dbraw/zinc/66/29/35/854662935.db2.gz FJIIQBYYVYSVHM-JOCHJYFZSA-N 1 0 400.526 4.292 20 30 HIEDRO CCCO[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000303296432 854858392 /nfs/dbraw/zinc/85/83/92/854858392.db2.gz BVQYRZYUGGKODZ-QGZVFWFLSA-N 1 0 403.592 4.498 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC2(c3ccc(Br)cc3)CCC2)CC1 ZINC000303383325 854902977 /nfs/dbraw/zinc/90/29/77/854902977.db2.gz XVDHFZRWCOYTPK-UHFFFAOYSA-N 1 0 420.395 4.211 20 30 HIEDRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCCC#N)[NH+](C)C ZINC000303435900 854936509 /nfs/dbraw/zinc/93/65/09/854936509.db2.gz DKKVDXQGQFZTMN-GOSISDBHSA-N 1 0 420.406 4.015 20 30 HIEDRO N#Cc1cccc(OCCCCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000303458976 854959207 /nfs/dbraw/zinc/95/92/07/854959207.db2.gz LGYHXVJESOIGDI-CWAQXLGLSA-N 1 0 417.553 4.419 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc3C2)c1C#N ZINC000303508546 854997587 /nfs/dbraw/zinc/99/75/87/854997587.db2.gz AXMSSRQGTRILKM-NRFANRHFSA-N 1 0 416.525 4.046 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c1C#N ZINC000303563453 855041632 /nfs/dbraw/zinc/04/16/32/855041632.db2.gz LONNZMDBKNPKMD-XMMPIXPASA-N 1 0 406.530 4.379 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(NC(=O)c3ccco3)cc2)c1 ZINC000303779834 855194247 /nfs/dbraw/zinc/19/42/47/855194247.db2.gz KVYXASLGZIZIAI-UHFFFAOYSA-N 1 0 422.485 4.256 20 30 HIEDRO [NH2+]=C(NCc1ccc(NC(=O)c2ccco2)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303790823 855200310 /nfs/dbraw/zinc/20/03/10/855200310.db2.gz WWVHRUOQXDELGX-UHFFFAOYSA-N 1 0 418.375 4.357 20 30 HIEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000303844797 855241725 /nfs/dbraw/zinc/24/17/25/855241725.db2.gz NMEVDWPXSFXECM-GOSISDBHSA-N 1 0 422.460 4.014 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCC[C@H]3Cc3ccccc3)CC2)cc1 ZINC000303863062 855258038 /nfs/dbraw/zinc/25/80/38/855258038.db2.gz WUFQODYRZYZNDP-DQEYMECFSA-N 1 0 416.569 4.187 20 30 HIEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1cccc(CN2CCCC2=O)c1 ZINC000303881682 855267322 /nfs/dbraw/zinc/26/73/22/855267322.db2.gz HUBITZWJGFXUDL-UHFFFAOYSA-N 1 0 406.574 4.153 20 30 HIEDRO CCc1cccc(CC)c1NC(=[NH2+])NCCCc1nnc(SC)n1CC(C)C ZINC000303899882 855276957 /nfs/dbraw/zinc/27/69/57/855276957.db2.gz WISHVPPZNGRFNR-UHFFFAOYSA-N 1 0 402.612 4.140 20 30 HIEDRO CCc1nc(C)c([C@@H](C)[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000303940683 855305733 /nfs/dbraw/zinc/30/57/33/855305733.db2.gz SOYPDLPHPLJDDQ-CYBMUJFWSA-N 1 0 402.589 4.457 20 30 HIEDRO COc1ccc(CNC(=[NH2+])NCC[C@@H](C)c2cccc(C(F)(F)F)c2)cc1OC ZINC000304792644 855358603 /nfs/dbraw/zinc/35/86/03/855358603.db2.gz LDZRFGJHFJRLMO-CQSZACIVSA-N 1 0 409.452 4.321 20 30 HIEDRO CC(C)(C)OC(=O)Nc1ccc(CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1 ZINC000304941912 855359049 /nfs/dbraw/zinc/35/90/49/855359049.db2.gz NUNJZQYLHAZSGZ-LJQANCHMSA-N 1 0 410.518 4.004 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCCc2cc(Cl)ccc2Br)cc1OC ZINC000305200557 855359935 /nfs/dbraw/zinc/35/99/35/855359935.db2.gz MQHJNUVBLRLXLJ-UHFFFAOYSA-N 1 0 412.715 4.089 20 30 HIEDRO CC[C@H](C)NC(=O)c1cccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000305235938 855360308 /nfs/dbraw/zinc/36/03/08/855360308.db2.gz NPDUDNVVNDLQCM-ZDUSSCGKSA-N 1 0 408.424 4.040 20 30 HIEDRO CCCOc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)c(OC(F)F)c1 ZINC000305107383 855360343 /nfs/dbraw/zinc/36/03/43/855360343.db2.gz ZTHBEJNAHCMVGC-QGZVFWFLSA-N 1 0 405.445 4.005 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1 ZINC000409460877 855490291 /nfs/dbraw/zinc/49/02/91/855490291.db2.gz JMBMDFNCNVIUCJ-LJQANCHMSA-N 1 0 413.525 4.048 20 30 HIEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)C[C@H](C)O1 ZINC000410366287 855954260 /nfs/dbraw/zinc/95/42/60/855954260.db2.gz POFJLDAWJWIENM-KDURUIRLSA-N 1 0 420.557 4.419 20 30 HIEDRO Cc1ccc(Cc2cnc(NC(=O)N(CCC#N)CCC[NH+](C)C)s2)cc1Cl ZINC000426679274 856408484 /nfs/dbraw/zinc/40/84/84/856408484.db2.gz HIRFGLLMRWNAHF-UHFFFAOYSA-N 1 0 419.982 4.395 20 30 HIEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426840420 856507896 /nfs/dbraw/zinc/50/78/96/856507896.db2.gz NTQVQDCJGQYMSR-JOCHJYFZSA-N 1 0 405.889 4.052 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426841547 856507952 /nfs/dbraw/zinc/50/79/52/856507952.db2.gz DBFDYUQJKJZHKB-IBGZPJMESA-N 1 0 411.918 4.113 20 30 HIEDRO Cc1sc(NC(=O)CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C#N)c1C ZINC000426994933 856585129 /nfs/dbraw/zinc/58/51/29/856585129.db2.gz LBRZNSQCTYYGJB-UZLBHIALSA-N 1 0 410.587 4.160 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)C(=O)c1cc(F)ccc1F ZINC000427125194 856653265 /nfs/dbraw/zinc/65/32/65/856653265.db2.gz ADMCIBRHRLHLLZ-HNNXBMFYSA-N 1 0 420.529 4.134 20 30 HIEDRO CC[N@H+](CCNC(=O)C1(c2cc(F)cc(C(F)(F)F)c2)CC1)CCC(F)(F)F ZINC000427231661 856727680 /nfs/dbraw/zinc/72/76/80/856727680.db2.gz XDAWRGOQRVXRGE-UHFFFAOYSA-N 1 0 414.365 4.267 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@H]2OCCc3sccc32)c1 ZINC000427860007 856984592 /nfs/dbraw/zinc/98/45/92/856984592.db2.gz YTNFUZRFFQMXAY-KGVIQGDOSA-N 1 0 411.571 4.292 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2OCCc3sccc32)c1 ZINC000427860008 856985073 /nfs/dbraw/zinc/98/50/73/856985073.db2.gz YTNFUZRFFQMXAY-NPPFBWRTSA-N 1 0 411.571 4.292 20 30 HIEDRO COC(=O)[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc2ccccc2c1 ZINC000428394494 857188198 /nfs/dbraw/zinc/18/81/98/857188198.db2.gz BDLAVEJTFFODRR-VWLOTQADSA-N 1 0 413.521 4.180 20 30 HIEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000429048843 857476256 /nfs/dbraw/zinc/47/62/56/857476256.db2.gz UATVZPDMLDMIBZ-OAQYLSRUSA-N 1 0 421.545 4.259 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@H]2OCCc3sccc32)ccc1Cl ZINC000429157384 857534959 /nfs/dbraw/zinc/53/49/59/857534959.db2.gz VCPPPTXNVABTRA-QVKFZJNVSA-N 1 0 417.962 4.249 20 30 HIEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3ncccc3Cl)CC2)c(OC)c1 ZINC000429213096 857557265 /nfs/dbraw/zinc/55/72/65/857557265.db2.gz BECDOQHJETYBIY-IBGZPJMESA-N 1 0 416.949 4.091 20 30 HIEDRO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000429289829 857593284 /nfs/dbraw/zinc/59/32/84/857593284.db2.gz DWZYKNDAMCIHFM-INIZCTEOSA-N 1 0 404.333 4.234 20 30 HIEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000429370379 857627262 /nfs/dbraw/zinc/62/72/62/857627262.db2.gz GYSHVNMZOHTQKR-UHFFFAOYSA-N 1 0 409.555 4.212 20 30 HIEDRO N#CC1(CCC[NH2+][C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CCOCC1 ZINC000429378762 857632874 /nfs/dbraw/zinc/63/28/74/857632874.db2.gz QRVWIPACFNCMAE-URXFXBBRSA-N 1 0 424.516 4.267 20 30 HIEDRO CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000429411666 857651943 /nfs/dbraw/zinc/65/19/43/857651943.db2.gz YCXMCGCPIHWQSJ-INIZCTEOSA-N 1 0 404.333 4.234 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(c2ccncc2)CC1 ZINC000429586117 857769720 /nfs/dbraw/zinc/76/97/20/857769720.db2.gz APQUJXFYILMDQE-INIZCTEOSA-N 1 0 408.571 4.490 20 30 HIEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429599852 857783114 /nfs/dbraw/zinc/78/31/14/857783114.db2.gz UDNAZZVOVPMQQE-UHFFFAOYSA-N 1 0 415.541 4.234 20 30 HIEDRO CCS[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000429666403 857826785 /nfs/dbraw/zinc/82/67/85/857826785.db2.gz FOCOWNFVLIYVHI-UXHICEINSA-N 1 0 414.575 4.210 20 30 HIEDRO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1OCc1ccccc1 ZINC000430157443 858057046 /nfs/dbraw/zinc/05/70/46/858057046.db2.gz DMYLRKHEVAVGRR-JOCHJYFZSA-N 1 0 415.493 4.194 20 30 HIEDRO C=CCN1C(=O)N(Cc2ccccc2C[NH+]2CCCCC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430758825 858292750 /nfs/dbraw/zinc/29/27/50/858292750.db2.gz VZZTUNPUGNEEHH-DEOSSOPVSA-N 1 0 417.553 4.234 20 30 HIEDRO C=CCN1C(=O)N(Cc2ccc(C[NH+](CC)CC)cc2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430769905 858297816 /nfs/dbraw/zinc/29/78/16/858297816.db2.gz ZAUUBZMXYDZYJT-QHCPKHFHSA-N 1 0 405.542 4.090 20 30 HIEDRO C[C@H]1C[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000431209120 858504170 /nfs/dbraw/zinc/50/41/70/858504170.db2.gz PYVGYWOEICSXOC-YJBOKZPZSA-N 1 0 414.456 4.334 20 30 HIEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2cccc(C#N)c2C)CC1 ZINC000431703197 858750925 /nfs/dbraw/zinc/75/09/25/858750925.db2.gz FULSHPXPNBXWQR-KRWDZBQOSA-N 1 0 409.509 4.030 20 30 HIEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000431830791 858831243 /nfs/dbraw/zinc/83/12/43/858831243.db2.gz DAVPZRRQWXTORD-UHFFFAOYSA-N 1 0 408.512 4.210 20 30 HIEDRO N#CCCC[C@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000431901804 858862708 /nfs/dbraw/zinc/86/27/08/858862708.db2.gz YHCVPIMGJQONIS-ZEQRLZLVSA-N 1 0 420.557 4.012 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(COc3c(Cl)cccc3Cl)on2)CC1 ZINC000467539580 881359626 /nfs/dbraw/zinc/35/96/26/881359626.db2.gz JBJGOQPEEMEQJR-UHFFFAOYSA-N 1 0 424.328 4.331 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CCC[C@H]([NH+](C)C)CC2)cc1OCC ZINC000432815555 859372314 /nfs/dbraw/zinc/37/23/14/859372314.db2.gz HZFSTOQZFGZXMY-KRWDZBQOSA-N 1 0 411.384 4.329 20 30 HIEDRO COc1cc(C[N@H+](CCC(=O)Nc2cccc(C#N)c2)C2CC2)ccc1OC(F)F ZINC000432951304 859443693 /nfs/dbraw/zinc/44/36/93/859443693.db2.gz SRVUSYZMKBNKJR-UHFFFAOYSA-N 1 0 415.440 4.161 20 30 HIEDRO N#CCCC[C@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000433010565 859476148 /nfs/dbraw/zinc/47/61/48/859476148.db2.gz CNCRIWRSOAOMKY-ICSRJNTNSA-N 1 0 403.320 4.214 20 30 HIEDRO COc1cc(NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)c(OC)cc1Cl ZINC000433015916 859479704 /nfs/dbraw/zinc/47/97/04/859479704.db2.gz ZGLJJEUOVYLXOO-KRWDZBQOSA-N 1 0 401.894 4.320 20 30 HIEDRO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433033724 859491915 /nfs/dbraw/zinc/49/19/15/859491915.db2.gz WJDODHHSKQBRTF-XMMPIXPASA-N 1 0 415.541 4.130 20 30 HIEDRO C=CCOc1ccc(C[NH+]2CCC(c3nc(C(=O)OCC)cs3)CC2)cc1OC ZINC000433048050 859498172 /nfs/dbraw/zinc/49/81/72/859498172.db2.gz YYKOAUBWGRRQEZ-UHFFFAOYSA-N 1 0 416.543 4.273 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@@H]3CCOC[C@H]3C)sc2C1 ZINC000433161766 859547949 /nfs/dbraw/zinc/54/79/49/859547949.db2.gz YIUNVPMCSYRRMA-IIDMSEBBSA-N 1 0 403.592 4.114 20 30 HIEDRO Cc1cnc(C2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)s1 ZINC000433172057 859553223 /nfs/dbraw/zinc/55/32/23/859553223.db2.gz BXVLDTZVDUSVKG-UHFFFAOYSA-N 1 0 400.573 4.082 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c1C ZINC000433294095 859622430 /nfs/dbraw/zinc/62/24/30/859622430.db2.gz JRDHSMXVUXMSPV-XMMPIXPASA-N 1 0 405.542 4.044 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccnc(OC3CCCCC3)c2)c(-c2ccncc2)n1 ZINC000433316044 859634218 /nfs/dbraw/zinc/63/42/18/859634218.db2.gz GPWBVRHREUYXGE-UHFFFAOYSA-N 1 0 416.529 4.255 20 30 HIEDRO N#C[C@@H](CCc1ccccc1)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000433354981 859658380 /nfs/dbraw/zinc/65/83/80/859658380.db2.gz UMXVOOHTQBUSDY-OAQYLSRUSA-N 1 0 409.961 4.441 20 30 HIEDRO C[C@H]1C[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000467697278 881492453 /nfs/dbraw/zinc/49/24/53/881492453.db2.gz RMQXIDAJCDZPIM-PGRDOPGGSA-N 1 0 415.493 4.123 20 30 HIEDRO Cc1cccc(NC2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC2)c1 ZINC000435126873 860653095 /nfs/dbraw/zinc/65/30/95/860653095.db2.gz RXQDCOGVVDRMQD-UHFFFAOYSA-N 1 0 400.530 4.244 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c(-c2ccncc2)n1 ZINC000435138463 860660150 /nfs/dbraw/zinc/66/01/50/860660150.db2.gz SDIUKYRSKLLPCX-UHFFFAOYSA-N 1 0 409.497 4.024 20 30 HIEDRO C=C(C)C[C@@H](C)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000467781676 881601639 /nfs/dbraw/zinc/60/16/39/881601639.db2.gz BTUIKNSMCJTSKJ-MRXNPFEDSA-N 1 0 409.368 4.011 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCO[C@H]2C(=C)C)cc1OCC ZINC000435742549 861023716 /nfs/dbraw/zinc/02/37/16/861023716.db2.gz NYGWIGCBMMCONZ-LPHOPBHVSA-N 1 0 410.352 4.483 20 30 HIEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(C(F)(F)F)cc1C#N ZINC000467791634 881614111 /nfs/dbraw/zinc/61/41/11/881614111.db2.gz ZBESHKNWPKTHHK-UHFFFAOYSA-N 1 0 408.512 4.210 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000438208120 863640626 /nfs/dbraw/zinc/64/06/26/863640626.db2.gz AUFNFOWOZKLPCM-VQIMIIECSA-N 1 0 408.502 4.306 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(CC(F)(F)F)cc3)CC2)cc1 ZINC000438375938 863835016 /nfs/dbraw/zinc/83/50/16/863835016.db2.gz NTVURRDWPRNNRW-UHFFFAOYSA-N 1 0 416.447 4.403 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2csc(COc3ccccc3)n2)CC1 ZINC000438484543 863900396 /nfs/dbraw/zinc/90/03/96/863900396.db2.gz IUSIXDDJYREQRA-UHFFFAOYSA-N 1 0 420.538 4.469 20 30 HIEDRO N#Cc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1C(F)(F)F ZINC000438630910 864061231 /nfs/dbraw/zinc/06/12/31/864061231.db2.gz ACWAGHHGYRIAJM-UHFFFAOYSA-N 1 0 402.420 4.495 20 30 HIEDRO O=C(NC1CCCCC1)C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000438682391 864145498 /nfs/dbraw/zinc/14/54/98/864145498.db2.gz HOLVAISOKGKNPU-UHFFFAOYSA-N 1 0 408.464 4.098 20 30 HIEDRO N#CCC[C@H](NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000438844079 864337877 /nfs/dbraw/zinc/33/78/77/864337877.db2.gz XIFJGQYDQYHEPA-QHCPKHFHSA-N 1 0 406.530 4.005 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c1 ZINC000439003926 864458582 /nfs/dbraw/zinc/45/85/82/864458582.db2.gz ONSKBDHFMYHNDN-VCFYHUQZSA-N 1 0 411.590 4.202 20 30 HIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCc3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000439012585 864463830 /nfs/dbraw/zinc/46/38/30/864463830.db2.gz XZRKQAJEGXDJCP-UHFFFAOYSA-N 1 0 417.431 4.350 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439316256 864751455 /nfs/dbraw/zinc/75/14/55/864751455.db2.gz CXJCFFVUVBBEFX-YWZLYKJASA-N 1 0 406.368 4.071 20 30 HIEDRO CCCc1c(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439669981 865001190 /nfs/dbraw/zinc/00/11/90/865001190.db2.gz GDOFYGHWPXWWEU-ZWKOTPCHSA-N 1 0 408.550 4.081 20 30 HIEDRO CCCc1c(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cnn1-c1cccc(C#N)c1 ZINC000439693457 865029661 /nfs/dbraw/zinc/02/96/61/865029661.db2.gz SMWCGARKDOIGLM-LJQANCHMSA-N 1 0 408.550 4.035 20 30 HIEDRO CCCc1c(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)cnn1-c1cccc(C#N)c1 ZINC000439700968 865038554 /nfs/dbraw/zinc/03/85/54/865038554.db2.gz HXCBOIRYMJFLBP-FQEVSTJZSA-N 1 0 422.558 4.182 20 30 HIEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cccc(C#N)c2)[C@@H]2CCCC[C@H]12 ZINC000439990237 865300800 /nfs/dbraw/zinc/30/08/00/865300800.db2.gz UBWDNLCMDQVCJN-HYYNZMQPSA-N 1 0 424.589 4.071 20 30 HIEDRO CC1(C)C[N@@H+](C2(CNC(=O)N[C@H](CCC#N)c3ccccc3)CCCCC2)CCO1 ZINC000440249559 865488457 /nfs/dbraw/zinc/48/84/57/865488457.db2.gz PEXYEVNSEYLOGH-OAQYLSRUSA-N 1 0 412.578 4.144 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000440258706 865509857 /nfs/dbraw/zinc/50/98/57/865509857.db2.gz UNGCDCGAKXUWBG-NRFANRHFSA-N 1 0 400.473 4.083 20 30 HIEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000440314348 865582919 /nfs/dbraw/zinc/58/29/19/865582919.db2.gz MKQHSGMSCSPTGJ-OAQYLSRUSA-N 1 0 401.934 4.104 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH2+][C@]2(CO)CCCc3ccccc32)sc2c1CCCCC2 ZINC000440817345 865932642 /nfs/dbraw/zinc/93/26/42/865932642.db2.gz BYJGGYQTAMPSJP-DEOSSOPVSA-N 1 0 423.582 4.031 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)sc2c1CCCC2 ZINC000441223655 866301108 /nfs/dbraw/zinc/30/11/08/866301108.db2.gz AMKHIMDYHHDBSD-UHFFFAOYSA-N 1 0 424.526 4.400 20 30 HIEDRO COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000441286002 866359931 /nfs/dbraw/zinc/35/99/31/866359931.db2.gz YYGJFWKHFHNFCX-PKTZIBPZSA-N 1 0 406.526 4.394 20 30 HIEDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000441380708 866452366 /nfs/dbraw/zinc/45/23/66/866452366.db2.gz RBZUDVNGLGOORX-VGOFRKELSA-N 1 0 421.932 4.383 20 30 HIEDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000441389894 866460584 /nfs/dbraw/zinc/46/05/84/866460584.db2.gz XRKCTUWSLSHCLX-UHFFFAOYSA-N 1 0 416.460 4.202 20 30 HIEDRO Cc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(OC(C)(C)C)c1 ZINC000441459610 866536865 /nfs/dbraw/zinc/53/68/65/866536865.db2.gz BBUUIKHRKHKJSZ-UHFFFAOYSA-N 1 0 422.573 4.317 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000441479362 866557461 /nfs/dbraw/zinc/55/74/61/866557461.db2.gz HNKDYMMQVVOKJU-LJQANCHMSA-N 1 0 401.942 4.103 20 30 HIEDRO CC[C@@H]1CCc2nc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)sc2C1 ZINC000441946414 867010806 /nfs/dbraw/zinc/01/08/06/867010806.db2.gz MTTVIGCIHUJUQJ-MRXNPFEDSA-N 1 0 411.575 4.125 20 30 HIEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@H]1c1ccccc1 ZINC000442182755 867204753 /nfs/dbraw/zinc/20/47/53/867204753.db2.gz RIONHRLWOGFNPG-SJLPKXTDSA-N 1 0 404.392 4.024 20 30 HIEDRO N#Cc1ccc(CN2CCCN(C(=O)c3ncccc3Oc3ccccc3)CC2)cc1 ZINC000442425101 867394477 /nfs/dbraw/zinc/39/44/77/867394477.db2.gz PSHMLIRDFFSBDL-UHFFFAOYSA-N 1 0 412.493 4.094 20 30 HIEDRO N#CC1CCC(C[NH2+][C@@H]2CCCOc3ccc(I)cc32)CC1 ZINC000442849564 867696893 /nfs/dbraw/zinc/69/68/93/867696893.db2.gz CDLBJKGGSZYTHI-MQBCKMQZSA-N 1 0 410.299 4.424 20 30 HIEDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443010384 867791325 /nfs/dbraw/zinc/79/13/25/867791325.db2.gz DKVBFVYWGKIHCG-WMZOPIPTSA-N 1 0 417.962 4.058 20 30 HIEDRO COc1cc(C[NH+]2CCC(Nc3cccc(Br)c3)CC2)ccc1C#N ZINC000443063479 867806907 /nfs/dbraw/zinc/80/69/07/867806907.db2.gz AQIWTLVJZXOHHN-UHFFFAOYSA-N 1 0 400.320 4.406 20 30 HIEDRO CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CC1CCC(C#N)CC1 ZINC000443063227 867807210 /nfs/dbraw/zinc/80/72/10/867807210.db2.gz NCAXEVFBXXNFJG-UHFFFAOYSA-N 1 0 423.351 4.119 20 30 HIEDRO CC[C@@]1(C)Oc2ccc(NC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc2O1 ZINC000443355269 867921726 /nfs/dbraw/zinc/92/17/26/867921726.db2.gz AGRBZQBGXFYSSV-DEOSSOPVSA-N 1 0 420.513 4.195 20 30 HIEDRO OCC1CC[NH+](Cc2ccccc2NCC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000443542973 868100601 /nfs/dbraw/zinc/10/06/01/868100601.db2.gz RQWIRQQOVWSODR-UHFFFAOYSA-N 1 0 402.460 4.373 20 30 HIEDRO N#CCCN(C(=O)CN1CCC(CCC[NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC000443606009 868165327 /nfs/dbraw/zinc/16/53/27/868165327.db2.gz QTMVPQDXNWUPSK-UHFFFAOYSA-N 1 0 416.997 4.175 20 30 HIEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)o2)c1 ZINC000443637816 868219876 /nfs/dbraw/zinc/21/98/76/868219876.db2.gz HEFJVXVPARVOKS-MRXNPFEDSA-N 1 0 403.417 4.268 20 30 HIEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CCC[C@H](c4nc5ccc(F)cc5o4)C3)o2)c1 ZINC000443637808 868220598 /nfs/dbraw/zinc/22/05/98/868220598.db2.gz HEFJVXVPARVOKS-INIZCTEOSA-N 1 0 403.417 4.268 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000444169925 868647704 /nfs/dbraw/zinc/64/77/04/868647704.db2.gz LYVLRUBAGUSRBL-IRXDYDNUSA-N 1 0 402.608 4.022 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)[C@@H](CCO)c2ccccc2)c1C#N ZINC000444239285 868689010 /nfs/dbraw/zinc/68/90/10/868689010.db2.gz KGGHCURBUQGYPD-QHCPKHFHSA-N 1 0 422.573 4.476 20 30 HIEDRO COc1ccccc1Oc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1F ZINC000444383768 868802428 /nfs/dbraw/zinc/80/24/28/868802428.db2.gz PWMYQURCIWCQMB-UHFFFAOYSA-N 1 0 414.481 4.326 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000444388061 868803769 /nfs/dbraw/zinc/80/37/69/868803769.db2.gz CKOJUQUIZYIUKR-UHFFFAOYSA-N 1 0 401.898 4.227 20 30 HIEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H](C)c2cccc(O)c2)c1C#N ZINC000444753061 868987039 /nfs/dbraw/zinc/98/70/39/868987039.db2.gz XGYIMNFKECBRFP-HNNXBMFYSA-N 1 0 406.461 4.100 20 30 HIEDRO C=CC[C@H]1[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)CCCC1(C)C ZINC000444782209 869001391 /nfs/dbraw/zinc/00/13/91/869001391.db2.gz IDVNHRJVKGIRCV-HXUWFJFHSA-N 1 0 400.567 4.018 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)c1C#N ZINC000445995359 869958479 /nfs/dbraw/zinc/95/84/79/869958479.db2.gz LAOYLIMSZABZHZ-FYYLOGMGSA-N 1 0 416.525 4.482 20 30 HIEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000447396698 871307762 /nfs/dbraw/zinc/30/77/62/871307762.db2.gz WUBGPZJPERPHQN-SFHVURJKSA-N 1 0 413.587 4.423 20 30 HIEDRO CC(C)c1ccc2ncc(C#N)c(NCc3ccc(C[NH+]4CCC(O)CC4)cc3)c2c1 ZINC000447669850 871600670 /nfs/dbraw/zinc/60/06/70/871600670.db2.gz HKYKRFOYYUFSEO-UHFFFAOYSA-N 1 0 414.553 4.221 20 30 HIEDRO N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2)cc1 ZINC000448204613 872095441 /nfs/dbraw/zinc/09/54/41/872095441.db2.gz OHFMIJYFYGBEKK-WIOPSUGQSA-N 1 0 415.537 4.226 20 30 HIEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448285560 872214129 /nfs/dbraw/zinc/21/41/29/872214129.db2.gz MKQFSBCFSXOZHG-DNVCBOLYSA-N 1 0 408.464 4.359 20 30 HIEDRO N#Cc1ccc(Nc2cccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2)cc1 ZINC000448450852 872397698 /nfs/dbraw/zinc/39/76/98/872397698.db2.gz WGAYNWSWTCZFSS-GBXCKJPGSA-N 1 0 400.526 4.391 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000460371535 873007219 /nfs/dbraw/zinc/00/72/19/873007219.db2.gz BVPRRYLCZAKENY-UHFFFAOYSA-N 1 0 412.541 4.105 20 30 HIEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460542926 873244812 /nfs/dbraw/zinc/24/48/12/873244812.db2.gz GWZPWULJRQXEGK-NRFANRHFSA-N 1 0 418.589 4.381 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460580548 873316075 /nfs/dbraw/zinc/31/60/75/873316075.db2.gz XAVARGCJIJCUFB-AWEZNQCLSA-N 1 0 422.396 4.018 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460764998 873606541 /nfs/dbraw/zinc/60/65/41/873606541.db2.gz ADTZJCRAYAAHQG-QFBILLFUSA-N 1 0 417.985 4.350 20 30 HIEDRO C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460778851 873631532 /nfs/dbraw/zinc/63/15/32/873631532.db2.gz BETVEXKGQFQBFR-WOJBJXKFSA-N 1 0 416.573 4.441 20 30 HIEDRO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460782266 873637888 /nfs/dbraw/zinc/63/78/88/873637888.db2.gz AUISUXUYNVXTDY-UGKGYDQZSA-N 1 0 419.577 4.016 20 30 HIEDRO CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000460923769 873828121 /nfs/dbraw/zinc/82/81/21/873828121.db2.gz LVMJYDGLKAILGU-UHFFFAOYSA-N 1 0 414.557 4.185 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460942812 873842925 /nfs/dbraw/zinc/84/29/25/873842925.db2.gz FBEDLNOVQFQDPY-LEWJYISDSA-N 1 0 409.578 4.113 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460948717 873846888 /nfs/dbraw/zinc/84/68/88/873846888.db2.gz XCDNNWPDZMGCAC-FCJDFRRUSA-N 1 0 421.589 4.162 20 30 HIEDRO C=C(C)Cn1c(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)nnc1C(F)(F)Oc1ccccc1 ZINC000460950503 873848583 /nfs/dbraw/zinc/84/85/83/873848583.db2.gz QJFTZCMNAPZWFW-ZWKOTPCHSA-N 1 0 417.504 4.046 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460951777 873850586 /nfs/dbraw/zinc/85/05/86/873850586.db2.gz XWDFCWIGCNCZTP-SFHVURJKSA-N 1 0 415.557 4.444 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2=O)cc1OC ZINC000462727490 875804513 /nfs/dbraw/zinc/80/45/13/875804513.db2.gz WOAOZMNETJBSRF-GOSISDBHSA-N 1 0 400.906 4.199 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)CCc2cccn2C)cc1OC ZINC000462733608 875807143 /nfs/dbraw/zinc/80/71/43/875807143.db2.gz JLPNCTUDNYQOLA-OAHLLOKOSA-N 1 0 407.352 4.472 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(C#N)c1)c1ccc(Br)cc1OCCCO ZINC000462948528 875968812 /nfs/dbraw/zinc/96/88/12/875968812.db2.gz NXGLQUHZAPVSIE-LSDHHAIUSA-N 1 0 403.320 4.494 20 30 HIEDRO CC(=O)NCC[N@H+](CCCCC(C)(C)C#N)Cc1ccc(Br)s1 ZINC000503265731 912247745 /nfs/dbraw/zinc/24/77/45/912247745.db2.gz RTWXFHWWWIWSFC-UHFFFAOYSA-N 1 0 400.386 4.169 20 30 HIEDRO O=c1ccccn1C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000503266008 912247839 /nfs/dbraw/zinc/24/78/39/912247839.db2.gz FKSLSXDBCQDHHX-NRFANRHFSA-N 1 0 412.411 4.130 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464399679 877601684 /nfs/dbraw/zinc/60/16/84/877601684.db2.gz ZVJNGYBAOHDLBK-NRFANRHFSA-N 1 0 408.542 4.244 20 30 HIEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464903275 878216793 /nfs/dbraw/zinc/21/67/93/878216793.db2.gz VNICPPAJPRVPDQ-HYBUGGRVSA-N 1 0 405.542 4.085 20 30 HIEDRO C=CCc1cc(C(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000464954238 878292251 /nfs/dbraw/zinc/29/22/51/878292251.db2.gz XAQFFWIMLLIKKS-NRFANRHFSA-N 1 0 422.569 4.417 20 30 HIEDRO C=CCc1cc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000464984552 878332028 /nfs/dbraw/zinc/33/20/28/878332028.db2.gz NZHPLWSALXDRRM-FQEVSTJZSA-N 1 0 408.542 4.026 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503437109 912445470 /nfs/dbraw/zinc/44/54/70/912445470.db2.gz WWYMYJYRQIKIKZ-RTBURBONSA-N 1 0 412.603 4.064 20 30 HIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000465801749 879412782 /nfs/dbraw/zinc/41/27/82/879412782.db2.gz AETCJLKJFFEGIL-GOTSBHOMSA-N 1 0 422.598 4.441 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH+]2CCN(c3cccs3)CC2)sc2c1CCCCC2 ZINC000466497764 880274454 /nfs/dbraw/zinc/27/44/54/880274454.db2.gz VAAOBKLWHKLRET-UHFFFAOYSA-N 1 0 414.600 4.101 20 30 HIEDRO N#CCCCOc1cccnc1NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000466595344 880366251 /nfs/dbraw/zinc/36/62/51/880366251.db2.gz HQGATQJBJPBABL-UHFFFAOYSA-N 1 0 407.518 4.072 20 30 HIEDRO N#CCCCOc1cccnc1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000466596252 880367566 /nfs/dbraw/zinc/36/75/66/880367566.db2.gz LDHZKPYWJACLAJ-UHFFFAOYSA-N 1 0 407.518 4.072 20 30 HIEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)Nc1ncccc1OCCCC#N ZINC000466614686 880386215 /nfs/dbraw/zinc/38/62/15/880386215.db2.gz WJHFKSGUOOLIMK-RTBURBONSA-N 1 0 421.545 4.042 20 30 HIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000467267577 881006946 /nfs/dbraw/zinc/00/69/46/881006946.db2.gz FHCZJCROUYCTGA-UHFFFAOYSA-N 1 0 409.481 4.070 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000469119075 883213607 /nfs/dbraw/zinc/21/36/07/883213607.db2.gz VOWZBMMKHWLUKV-LUQTXGNESA-N 1 0 423.507 4.450 20 30 HIEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)cc2)C1 ZINC000469147983 883245326 /nfs/dbraw/zinc/24/53/26/883245326.db2.gz URPDTNCMRJPDEX-QGZVFWFLSA-N 1 0 416.481 4.186 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H]1c1cccs1 ZINC000469208996 883310176 /nfs/dbraw/zinc/31/01/76/883310176.db2.gz CODWLMLHSVDLJH-UTKZUKDTSA-N 1 0 406.511 4.088 20 30 HIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1ccc(Br)cc1OC ZINC000469754002 883916330 /nfs/dbraw/zinc/91/63/30/883916330.db2.gz WIBLOOWMVNQRTE-ZDUSSCGKSA-N 1 0 405.292 4.068 20 30 HIEDRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000469757344 883922081 /nfs/dbraw/zinc/92/20/81/883922081.db2.gz QUOJIEQJYOJRMU-CYBMUJFWSA-N 1 0 402.292 4.009 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 ZINC000469767019 883938484 /nfs/dbraw/zinc/93/84/84/883938484.db2.gz XKZKWFJVFVDFSI-LJQANCHMSA-N 1 0 401.432 4.028 20 30 HIEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470275700 884633788 /nfs/dbraw/zinc/63/37/88/884633788.db2.gz DBDUIMVUGFSVSO-IBGZPJMESA-N 1 0 404.436 4.021 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 ZINC000503947564 912878181 /nfs/dbraw/zinc/87/81/81/912878181.db2.gz RPSKAGCLNCMFBO-OAQYLSRUSA-N 1 0 416.437 4.012 20 30 HIEDRO N#Cc1ccccc1-c1ccc(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)cc1 ZINC000471034573 885543772 /nfs/dbraw/zinc/54/37/72/885543772.db2.gz UJWCSXNCJKFDMG-UHFFFAOYSA-N 1 0 407.468 4.135 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+](CCCO)[C@H]2CCCc3ccccc32)c1C ZINC000471047113 885559446 /nfs/dbraw/zinc/55/94/46/885559446.db2.gz KSGLEEROVDPUJO-VWLOTQADSA-N 1 0 419.569 4.312 20 30 HIEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000504057018 912960272 /nfs/dbraw/zinc/96/02/72/912960272.db2.gz UULFUPRURZAYEP-UHFFFAOYSA-N 1 0 415.497 4.341 20 30 HIEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000504059917 912966584 /nfs/dbraw/zinc/96/65/84/912966584.db2.gz FPYYXXGHKLRBBJ-LJQANCHMSA-N 1 0 402.542 4.486 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000471255573 885834003 /nfs/dbraw/zinc/83/40/03/885834003.db2.gz XFKAFXHWKBEFCM-UHFFFAOYSA-N 1 0 424.467 4.272 20 30 HIEDRO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000471497429 886198532 /nfs/dbraw/zinc/19/85/32/886198532.db2.gz WRLRDEWYJZLZSK-OAQYLSRUSA-N 1 0 411.546 4.094 20 30 HIEDRO CCC(CC)(CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000472157224 886955351 /nfs/dbraw/zinc/95/53/51/886955351.db2.gz MSZNXDLVYMXXAX-AUSIDOKSSA-N 1 0 402.542 4.266 20 30 HIEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472365874 887202333 /nfs/dbraw/zinc/20/23/33/887202333.db2.gz DVQIGZQPNSKWKC-XMMPIXPASA-N 1 0 404.558 4.248 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@H](c3ccccc3)C2)c1C#N ZINC000472432688 887280578 /nfs/dbraw/zinc/28/05/78/887280578.db2.gz QGFISSMQSKHRAZ-NRFANRHFSA-N 1 0 416.525 4.436 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccc[nH]2)c1C#N ZINC000472439509 887288608 /nfs/dbraw/zinc/28/86/08/887288608.db2.gz NJEMPVDKSHYLKX-NRFANRHFSA-N 1 0 405.502 4.112 20 30 HIEDRO N#Cc1ccc(CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C2CC2)cc1 ZINC000472464339 887323639 /nfs/dbraw/zinc/32/36/39/887323639.db2.gz OQKWGLPQNSZDRQ-UHFFFAOYSA-N 1 0 420.479 4.038 20 30 HIEDRO C[C@@H]1CN(C2CC[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC2)CCO1 ZINC000472742828 887587695 /nfs/dbraw/zinc/58/76/95/887587695.db2.gz ACWDJWUWTGKDEG-JOCHJYFZSA-N 1 0 403.570 4.071 20 30 HIEDRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000472844677 887698639 /nfs/dbraw/zinc/69/86/39/887698639.db2.gz DKNYTCCHYAHZPJ-UHFFFAOYSA-N 1 0 405.542 4.097 20 30 HIEDRO Cc1csc(NC2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)n1 ZINC000473064776 887885962 /nfs/dbraw/zinc/88/59/62/887885962.db2.gz KOAHSSCCUZXAEC-UHFFFAOYSA-N 1 0 406.559 4.305 20 30 HIEDRO C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000473829490 888663612 /nfs/dbraw/zinc/66/36/12/888663612.db2.gz NPKOEXZUQIAPHH-SLYNCCJLSA-N 1 0 412.496 4.433 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000474198091 889036344 /nfs/dbraw/zinc/03/63/44/889036344.db2.gz XIBWQEVGFQMUMR-LJQANCHMSA-N 1 0 401.432 4.028 20 30 HIEDRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000474888779 889746121 /nfs/dbraw/zinc/74/61/21/889746121.db2.gz UUEWYABBDDTSLL-UHFFFAOYSA-N 1 0 423.582 4.329 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)CC2)cc1 ZINC000504651524 913394414 /nfs/dbraw/zinc/39/44/14/913394414.db2.gz WIVVFUFNURDITK-DEOSSOPVSA-N 1 0 400.526 4.194 20 30 HIEDRO C[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C(=O)N1Cc2ccccc2C1 ZINC000475487717 890393083 /nfs/dbraw/zinc/39/30/83/890393083.db2.gz ROOCEJIPSNFGBM-IBGZPJMESA-N 1 0 411.505 4.158 20 30 HIEDRO COc1cccc([C@@H]2[C@@H](NC(=O)C[C@@H](CC#N)c3ccccc3)CC[N@@H+]2C2CC2)c1 ZINC000476597590 891531319 /nfs/dbraw/zinc/53/13/19/891531319.db2.gz NUUSTWMBEGBAMH-HFRGRHLUSA-N 1 0 403.526 4.177 20 30 HIEDRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000476994574 891922122 /nfs/dbraw/zinc/92/21/22/891922122.db2.gz KNLAIZMWAALBHY-DLBZAZTESA-N 1 0 421.932 4.460 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000477253946 892205785 /nfs/dbraw/zinc/20/57/85/892205785.db2.gz UFGYTMXPORDGIU-GOSISDBHSA-N 1 0 402.539 4.193 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cc1)C1CC1 ZINC000477304453 892266221 /nfs/dbraw/zinc/26/62/21/892266221.db2.gz RCEMUCXLYIBOQP-UHFFFAOYSA-N 1 0 400.444 4.471 20 30 HIEDRO C=C(C)[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1)c1ccc(F)c(F)c1 ZINC000477657365 892789771 /nfs/dbraw/zinc/78/97/71/892789771.db2.gz DANAXFWAEYTPDY-OAQYLSRUSA-N 1 0 415.484 4.179 20 30 HIEDRO C=C(C)[C@@H](NC(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1)c1ccc(F)c(F)c1 ZINC000477749302 892842153 /nfs/dbraw/zinc/84/21/53/892842153.db2.gz UYSUNFDYRONNFY-JOCHJYFZSA-N 1 0 423.548 4.362 20 30 HIEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(C#N)c1C ZINC000478044609 893184166 /nfs/dbraw/zinc/18/41/66/893184166.db2.gz GXRLQUZFZUDDGU-FUHWJXTLSA-N 1 0 400.567 4.072 20 30 HIEDRO C=CCN(CCOC)C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000478391986 893670590 /nfs/dbraw/zinc/67/05/90/893670590.db2.gz YTZQFFXISXVJTF-UHFFFAOYSA-N 1 0 407.558 4.293 20 30 HIEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1c(F)cccc1Cl ZINC000478397649 893677820 /nfs/dbraw/zinc/67/78/20/893677820.db2.gz JGCVXXQOGPPPOK-MRXNPFEDSA-N 1 0 414.912 4.329 20 30 HIEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1c(F)cccc1Cl ZINC000478397648 893678709 /nfs/dbraw/zinc/67/87/09/893678709.db2.gz JGCVXXQOGPPPOK-INIZCTEOSA-N 1 0 414.912 4.329 20 30 HIEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000478823055 894097368 /nfs/dbraw/zinc/09/73/68/894097368.db2.gz FNLVPUMXQMEMSH-UHFFFAOYSA-N 1 0 419.447 4.060 20 30 HIEDRO N#CC1(NC(=O)CCCOc2ccc(Cl)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479222855 894484776 /nfs/dbraw/zinc/48/47/76/894484776.db2.gz VNSZCEFFDDLTON-UHFFFAOYSA-N 1 0 411.933 4.174 20 30 HIEDRO N#CC1(NC(=O)c2ccnc(OC3CCCCC3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479250963 894516120 /nfs/dbraw/zinc/51/61/20/894516120.db2.gz UYROBMPBNJROQB-UHFFFAOYSA-N 1 0 418.541 4.081 20 30 HIEDRO Cc1ccc(OCCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000479250503 894517197 /nfs/dbraw/zinc/51/71/97/894517197.db2.gz UFFVUVWGDYCZDA-UHFFFAOYSA-N 1 0 405.542 4.137 20 30 HIEDRO CC(C)c1cccc(O[C@@H](C)C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479305362 894591164 /nfs/dbraw/zinc/59/11/64/894591164.db2.gz HAPBNEOEXUSZGD-FQEVSTJZSA-N 1 0 405.542 4.252 20 30 HIEDRO N#CC1(NC(=O)COc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479305659 894591818 /nfs/dbraw/zinc/59/18/18/894591818.db2.gz HZGSSPCRURMBLH-UHFFFAOYSA-N 1 0 418.324 4.047 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479436887 894752746 /nfs/dbraw/zinc/75/27/46/894752746.db2.gz LIFHKOITMPFHIT-IRSIHTCSSA-N 1 0 413.525 4.496 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000479727622 895026012 /nfs/dbraw/zinc/02/60/12/895026012.db2.gz LNOGZIRIOWNJHK-UHFFFAOYSA-N 1 0 409.578 4.000 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000479790090 895094995 /nfs/dbraw/zinc/09/49/95/895094995.db2.gz QZJUXBOQOSGPEQ-HSZRJFAPSA-N 1 0 409.578 4.389 20 30 HIEDRO C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000480347120 895753463 /nfs/dbraw/zinc/75/34/63/895753463.db2.gz IUNOXDRDOBMPDG-VFNWGFHPSA-N 1 0 422.920 4.210 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[NH+](CC(C)C)CC2)cc1 ZINC000480402818 895805494 /nfs/dbraw/zinc/80/54/94/895805494.db2.gz KAFXSBSLOGSUNV-UHFFFAOYSA-N 1 0 408.502 4.165 20 30 HIEDRO CCC(CC)(CNS(=O)(=O)Cc1ccc(C#N)cc1F)[NH2+][C@H](C)c1ccccc1 ZINC000481058988 896381422 /nfs/dbraw/zinc/38/14/22/896381422.db2.gz LNMMZRIQUYYLOR-QGZVFWFLSA-N 1 0 417.550 4.026 20 30 HIEDRO C=C(C)[C@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)c(F)c1 ZINC000481581434 896960991 /nfs/dbraw/zinc/96/09/91/896960991.db2.gz WOFPQRYDUXDPPY-DEOSSOPVSA-N 1 0 413.512 4.084 20 30 HIEDRO C=C(C)[C@@H](NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc(F)c(F)c1 ZINC000481581435 896961467 /nfs/dbraw/zinc/96/14/67/896961467.db2.gz WOFPQRYDUXDPPY-XMMPIXPASA-N 1 0 413.512 4.084 20 30 HIEDRO CC(C)[N@@H+]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000481683961 897067789 /nfs/dbraw/zinc/06/77/89/897067789.db2.gz IWTHUZNLDNHNID-UHFFFAOYSA-N 1 0 410.493 4.224 20 30 HIEDRO CC[C@@H](C[N@H+](CC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1 ZINC000481745342 897138997 /nfs/dbraw/zinc/13/89/97/897138997.db2.gz CUNCIVOACXWYBX-IBGZPJMESA-N 1 0 401.514 4.198 20 30 HIEDRO CC[C@H](Cc1ccccc1Br)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000481832231 897200155 /nfs/dbraw/zinc/20/01/55/897200155.db2.gz ORBWNPQJMBVBRO-OAHLLOKOSA-N 1 0 406.349 4.274 20 30 HIEDRO N#Cc1ccc(SCC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000481864190 897232659 /nfs/dbraw/zinc/23/26/59/897232659.db2.gz NRVJEHZLGCIVFA-GGAORHGYSA-N 1 0 405.567 4.163 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000481916345 897299151 /nfs/dbraw/zinc/29/91/51/897299151.db2.gz CYQUUXAIRBEMOR-BXKMTCNYSA-N 1 0 403.526 4.334 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000482002098 897399384 /nfs/dbraw/zinc/39/93/84/897399384.db2.gz YYFVEBFKMBTUBW-XMMPIXPASA-N 1 0 402.542 4.135 20 30 HIEDRO CC(C)Oc1ccc([C@@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)[NH+](C)C)cc1 ZINC000482301210 897798552 /nfs/dbraw/zinc/79/85/52/897798552.db2.gz HGNARDAFEVSYKU-HXUWFJFHSA-N 1 0 411.550 4.326 20 30 HIEDRO C=C(C)C[NH+]1CCC(NCc2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000482778066 898385522 /nfs/dbraw/zinc/38/55/22/898385522.db2.gz FVBPHALVDJIVDX-UHFFFAOYSA-N 1 0 403.368 4.073 20 30 HIEDRO COc1cc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc(OC)c1OC ZINC000482876423 898490401 /nfs/dbraw/zinc/49/04/01/898490401.db2.gz OMEYYSBBFVIYBK-MAUKXSAKSA-N 1 0 413.493 4.043 20 30 HIEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(n2c(C)nc3ccccc32)CC1 ZINC000482888605 898505079 /nfs/dbraw/zinc/50/50/79/898505079.db2.gz SJMKLDQFRPPSDU-JOCHJYFZSA-N 1 0 405.542 4.150 20 30 HIEDRO Cc1nc2ccccc2n1C1CC[NH+]([C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000482891178 898509485 /nfs/dbraw/zinc/50/94/85/898509485.db2.gz RODGACQQPDJKFZ-FAFRJYIDSA-N 1 0 421.589 4.301 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCC4(CC3)C(=O)Nc3ccccc34)C2)c(F)c1 ZINC000482894329 898513227 /nfs/dbraw/zinc/51/32/27/898513227.db2.gz RATBJDDLVOLUJR-CSKUQDPHSA-N 1 0 418.516 4.088 20 30 HIEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC[C@H]21 ZINC000483040768 898709281 /nfs/dbraw/zinc/70/92/81/898709281.db2.gz AFRSXMRYRNNMOC-ZJSXRUAMSA-N 1 0 418.541 4.280 20 30 HIEDRO Cn1cc(C[N@H+](CCO)Cc2cccc(OCc3ccccc3Cl)c2)cc1C#N ZINC000483176048 898842286 /nfs/dbraw/zinc/84/22/86/898842286.db2.gz WERLMCHQFZKPBT-UHFFFAOYSA-N 1 0 409.917 4.124 20 30 HIEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC[C@H]21 ZINC000483230964 898874401 /nfs/dbraw/zinc/87/44/01/898874401.db2.gz QPVXJTRGOQZEKF-YLJYHZDGSA-N 1 0 408.477 4.438 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2Cc3ccc(C)cc3C2)c1C#N ZINC000483337992 898968422 /nfs/dbraw/zinc/96/84/22/898968422.db2.gz NBUBBDWMRGDACK-UHFFFAOYSA-N 1 0 402.498 4.271 20 30 HIEDRO CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000483424785 899053350 /nfs/dbraw/zinc/05/33/50/899053350.db2.gz GAZAUHREBPJFKV-MRXNPFEDSA-N 1 0 403.448 4.146 20 30 HIEDRO C=CCN(CC1CCCCC1)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000483707923 899362479 /nfs/dbraw/zinc/36/24/79/899362479.db2.gz XJVBGFHUAHRNBU-LJQANCHMSA-N 1 0 416.585 4.416 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cc1F ZINC000483714041 899371028 /nfs/dbraw/zinc/37/10/28/899371028.db2.gz NQBYSJIYRGIRLQ-IBGZPJMESA-N 1 0 403.461 4.052 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCc3cc(C)ccc3C2)c1C#N ZINC000484025815 899659594 /nfs/dbraw/zinc/65/95/94/899659594.db2.gz XFVKFBXMGZHLRE-UHFFFAOYSA-N 1 0 416.525 4.313 20 30 HIEDRO CC(C)[C@@](C)([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000484336496 899888790 /nfs/dbraw/zinc/88/87/90/899888790.db2.gz ZYAVEPQTPBTFIL-OAQYLSRUSA-N 1 0 414.347 4.098 20 30 HIEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c(OC)c1 ZINC000484349982 899899181 /nfs/dbraw/zinc/89/91/81/899899181.db2.gz KUWFACFIQHGUPB-VQIMIIECSA-N 1 0 401.469 4.074 20 30 HIEDRO C[NH+](C)C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccc(F)cc1 ZINC000484471216 899965188 /nfs/dbraw/zinc/96/51/88/899965188.db2.gz VXYQJJMTEQWETM-INIZCTEOSA-N 1 0 410.371 4.020 20 30 HIEDRO N#Cc1ccc(Oc2cccc(C(=O)NC3CC[NH+](Cc4ccccn4)CC3)c2)cc1 ZINC000484679492 900118746 /nfs/dbraw/zinc/11/87/46/900118746.db2.gz JILBHUVTOUIOPZ-UHFFFAOYSA-N 1 0 412.493 4.140 20 30 HIEDRO N#Cc1ccccc1N1CCC[N@@H+](CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000485002028 900353649 /nfs/dbraw/zinc/35/36/49/900353649.db2.gz LQJCMUSZDUFUJA-UHFFFAOYSA-N 1 0 416.447 4.118 20 30 HIEDRO COCCSc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485324245 900606661 /nfs/dbraw/zinc/60/66/61/900606661.db2.gz VTTWILACCCETBT-VGSWGCGISA-N 1 0 409.555 4.143 20 30 HIEDRO COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341749 900632696 /nfs/dbraw/zinc/63/26/96/900632696.db2.gz BRBIYCSBLVMRTF-XZOQPEGZSA-N 1 0 405.542 4.062 20 30 HIEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)CCc1nccs1 ZINC000485448949 900743150 /nfs/dbraw/zinc/74/31/50/900743150.db2.gz BPMMIZMRNYRUJK-AWEZNQCLSA-N 1 0 402.589 4.094 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000485807706 901057031 /nfs/dbraw/zinc/05/70/31/901057031.db2.gz WXXKNUUQRXHZCH-HOTGVXAUSA-N 1 0 408.527 4.291 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)CSc1ccc(C#N)cc1 ZINC000486157271 901344964 /nfs/dbraw/zinc/34/49/64/901344964.db2.gz YQGBKTULRZMUFH-UHFFFAOYSA-N 1 0 421.488 4.260 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](COc3ccccc3)C2)sc2c1CCCC2 ZINC000505900571 914542074 /nfs/dbraw/zinc/54/20/74/914542074.db2.gz GDIWIUUQGAAOFB-KRWDZBQOSA-N 1 0 409.555 4.228 20 30 HIEDRO N#Cc1ccc(OCC[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cc1 ZINC000486845745 901892588 /nfs/dbraw/zinc/89/25/88/901892588.db2.gz NGZAQNSBSCQTJS-HYBUGGRVSA-N 1 0 400.482 4.041 20 30 HIEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@@H](C)CC[NH+](C)C ZINC000486904131 901948869 /nfs/dbraw/zinc/94/88/69/901948869.db2.gz WVZKWOYKGLWXIX-HNNXBMFYSA-N 1 0 414.575 4.095 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000505929413 914580211 /nfs/dbraw/zinc/58/02/11/914580211.db2.gz CTUDEIYBVYPEQF-VQTJNVASSA-N 1 0 421.541 4.457 20 30 HIEDRO CCCCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000488487550 902850594 /nfs/dbraw/zinc/85/05/94/902850594.db2.gz OXRQPSDYNVMZMT-GCJKJVERSA-N 1 0 421.541 4.197 20 30 HIEDRO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Br)c1 ZINC000488499380 902856951 /nfs/dbraw/zinc/85/69/51/902856951.db2.gz OGVMKXVIBONVGS-VQTJNVASSA-N 1 0 412.331 4.163 20 30 HIEDRO CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)cc1 ZINC000488505393 902860936 /nfs/dbraw/zinc/86/09/36/902860936.db2.gz YRQFQOUGPKGKBT-UXHICEINSA-N 1 0 412.331 4.163 20 30 HIEDRO C[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488624715 902904622 /nfs/dbraw/zinc/90/46/22/902904622.db2.gz IOSJMBZXVVRVJY-WQDFSMHNSA-N 1 0 416.569 4.378 20 30 HIEDRO C=CCC[C@H](C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccccc1 ZINC000488652967 902921823 /nfs/dbraw/zinc/92/18/23/902921823.db2.gz DHQRRYROAKPJTF-QHCPKHFHSA-N 1 0 405.542 4.072 20 30 HIEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000489260482 903295296 /nfs/dbraw/zinc/29/52/96/903295296.db2.gz SNXLXGYUCZTDLF-QHCPKHFHSA-N 1 0 411.546 4.005 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCSCc1ccccc1C#N ZINC000489397610 903366011 /nfs/dbraw/zinc/36/60/11/903366011.db2.gz RVAGLWOXPQDGFO-XXBNENTESA-N 1 0 422.598 4.001 20 30 HIEDRO CC[NH+]1CCN(c2ccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)c(C)c2)CC1 ZINC000506030180 914713616 /nfs/dbraw/zinc/71/36/16/914713616.db2.gz IAQFCXZHUZOCTM-UHFFFAOYSA-N 1 0 408.521 4.064 20 30 HIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000489536766 903447254 /nfs/dbraw/zinc/44/72/54/903447254.db2.gz SLGMTDSBMRRAJH-UHFFFAOYSA-N 1 0 423.460 4.282 20 30 HIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489850827 903630360 /nfs/dbraw/zinc/63/03/60/903630360.db2.gz VJYPCEWMYOAVTP-GBXCKJPGSA-N 1 0 404.558 4.389 20 30 HIEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@H](c4nc5c(s4)CCCC5)C3)o2)cc1 ZINC000490018667 903726683 /nfs/dbraw/zinc/72/66/83/903726683.db2.gz GVVUCMZZIZAUSU-KRWDZBQOSA-N 1 0 405.527 4.323 20 30 HIEDRO CC[NH+](CC)Cc1ccc(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000506056653 914757957 /nfs/dbraw/zinc/75/79/57/914757957.db2.gz WZSDDKSZHMODOZ-UHFFFAOYSA-N 1 0 422.548 4.072 20 30 HIEDRO C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000491227277 904490818 /nfs/dbraw/zinc/49/08/18/904490818.db2.gz AZURVCONDFJIFB-NLFFAJNJSA-N 1 0 413.569 4.444 20 30 HIEDRO Cn1c2ccccc2cc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1=O ZINC000491473061 904615148 /nfs/dbraw/zinc/61/51/48/904615148.db2.gz ZQLUFMWEQGEKIS-UHFFFAOYSA-N 1 0 409.489 4.279 20 30 HIEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)C2)CC1 ZINC000491501855 904625772 /nfs/dbraw/zinc/62/57/72/904625772.db2.gz CTSJLPPFNFYIDM-KRWDZBQOSA-N 1 0 406.477 4.135 20 30 HIEDRO N#Cc1ccc(Br)c(CN2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000491831653 904706244 /nfs/dbraw/zinc/70/62/44/904706244.db2.gz JWSMRMJWSVLZHO-CQSZACIVSA-N 1 0 413.241 4.373 20 30 HIEDRO C[N@H+](Cc1cc(C#N)ccc1Br)C1CCN(C(=O)c2ccccc2)CC1 ZINC000492695633 904890208 /nfs/dbraw/zinc/89/02/08/904890208.db2.gz JVFYBNKTKBRWOW-UHFFFAOYSA-N 1 0 412.331 4.057 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c[nH]cc3-c3ccccc3F)CC2)cc1 ZINC000493054353 905004877 /nfs/dbraw/zinc/00/48/77/905004877.db2.gz NOCXHFUEDQTVPK-UHFFFAOYSA-N 1 0 402.473 4.041 20 30 HIEDRO Cc1ccc([C@@H]([NH2+]CCOc2ccc(C#N)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000494026297 905368517 /nfs/dbraw/zinc/36/85/17/905368517.db2.gz BGTIUIQZMMCTEW-XMMPIXPASA-N 1 0 420.534 4.028 20 30 HIEDRO CN(CCCn1ccnc1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000494236490 905563994 /nfs/dbraw/zinc/56/39/94/905563994.db2.gz DPCPDZJBPGECSQ-UHFFFAOYSA-N 1 0 403.486 4.082 20 30 HIEDRO N#CCCN(C(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000494455922 905737790 /nfs/dbraw/zinc/73/77/90/905737790.db2.gz WLPWHEXLGYZYCQ-FPOVZHCZSA-N 1 0 418.324 4.360 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000494471985 905753126 /nfs/dbraw/zinc/75/31/26/905753126.db2.gz GLVXWHQOTDISLN-QWNAUFKNSA-N 1 0 421.944 4.218 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000494484354 905768713 /nfs/dbraw/zinc/76/87/13/905768713.db2.gz JZVJDSZDQHLDDZ-GMAHTHKFSA-N 1 0 411.933 4.323 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1C ZINC000494496766 905783504 /nfs/dbraw/zinc/78/35/04/905783504.db2.gz POWATZZVLIWKDW-NFBKMPQASA-N 1 0 411.933 4.323 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000494515931 905807316 /nfs/dbraw/zinc/80/73/16/905807316.db2.gz ZTWUZUBWBZNXKW-RVHYNSKXSA-N 1 0 415.896 4.234 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc(Br)cs1 ZINC000494738026 905937697 /nfs/dbraw/zinc/93/76/97/905937697.db2.gz IHDKEXPGYGBYAD-WBMJQRKESA-N 1 0 404.333 4.228 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc(Br)cs1 ZINC000494738024 905938655 /nfs/dbraw/zinc/93/86/55/905938655.db2.gz IHDKEXPGYGBYAD-MLGOLLRUSA-N 1 0 404.333 4.228 20 30 HIEDRO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCCC1)CCCC2 ZINC000494791611 905994109 /nfs/dbraw/zinc/99/41/09/905994109.db2.gz FJLRODNIYZBLSF-SIKLNZKXSA-N 1 0 424.589 4.011 20 30 HIEDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000495145034 906269868 /nfs/dbraw/zinc/26/98/68/906269868.db2.gz NMCIKXNDXOMGLD-UHFFFAOYSA-N 1 0 413.587 4.292 20 30 HIEDRO N#C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1cccc(Br)c1 ZINC000496273649 906646588 /nfs/dbraw/zinc/64/65/88/906646588.db2.gz UJWWGBUSXIIMHO-HXUWFJFHSA-N 1 0 412.331 4.430 20 30 HIEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512619537 921264470 /nfs/dbraw/zinc/26/44/70/921264470.db2.gz MFTKOBWNNMTJMI-CVEARBPZSA-N 1 0 403.523 4.140 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000497453633 906928138 /nfs/dbraw/zinc/92/81/38/906928138.db2.gz RUAQRELYVCGZLA-HSZRJFAPSA-N 1 0 409.578 4.216 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000512805352 921314520 /nfs/dbraw/zinc/31/45/20/921314520.db2.gz FYSYWYPJSSKXNI-UHFFFAOYSA-N 1 0 401.869 4.223 20 30 HIEDRO Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)c1 ZINC000512831899 921336169 /nfs/dbraw/zinc/33/61/69/921336169.db2.gz FZYMMZNTMXAVTM-GOSISDBHSA-N 1 0 409.505 4.493 20 30 HIEDRO C[NH+](C)CCOC1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000498324526 907840853 /nfs/dbraw/zinc/84/08/53/907840853.db2.gz OLDLHDAHPOGKCM-UHFFFAOYSA-N 1 0 423.582 4.033 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1C ZINC000498473093 907943724 /nfs/dbraw/zinc/94/37/24/907943724.db2.gz MAURYSKISCDAOC-UXHICEINSA-N 1 0 407.562 4.073 20 30 HIEDRO COc1cccc(C2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3OC)CC2)c1 ZINC000498693273 908121498 /nfs/dbraw/zinc/12/14/98/908121498.db2.gz IMGSDLIQVRSDBM-IBGZPJMESA-N 1 0 421.541 4.219 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1C)C(C)C ZINC000498857325 908261057 /nfs/dbraw/zinc/26/10/57/908261057.db2.gz ILMYKEPYPFRTDD-QFIPXVFZSA-N 1 0 412.578 4.051 20 30 HIEDRO N#CC1(CCC[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)CCOCC1 ZINC000499535758 908832283 /nfs/dbraw/zinc/83/22/83/908832283.db2.gz BZJMTKGUIOJDMK-UHFFFAOYSA-N 1 0 407.917 4.230 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCN(c4ccc(F)cc4F)CC3)C2)c(F)c1 ZINC000513056933 921513495 /nfs/dbraw/zinc/51/34/95/921513495.db2.gz JOIBDFJHLVOKAH-LJQANCHMSA-N 1 0 414.475 4.203 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC([NH+]2CCCCC2)CC1 ZINC000500433560 909854470 /nfs/dbraw/zinc/85/44/70/909854470.db2.gz IAOBTMUJCYRHKJ-KRWDZBQOSA-N 1 0 414.619 4.166 20 30 HIEDRO COc1ccc(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)cc1OCCCC#N ZINC000513097079 921545459 /nfs/dbraw/zinc/54/54/59/921545459.db2.gz YZKWKDHXERXDBR-UHFFFAOYSA-N 1 0 421.541 4.114 20 30 HIEDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000501250317 910409546 /nfs/dbraw/zinc/40/95/46/910409546.db2.gz XCLKVCYZPPQPGG-UHFFFAOYSA-N 1 0 409.530 4.314 20 30 HIEDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1OCCCC#N ZINC000513143196 921581252 /nfs/dbraw/zinc/58/12/52/921581252.db2.gz ATVBCAAWOQZKNP-FQEVSTJZSA-N 1 0 408.498 4.486 20 30 HIEDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1OCCCC#N ZINC000513143197 921581470 /nfs/dbraw/zinc/58/14/70/921581470.db2.gz ATVBCAAWOQZKNP-HXUWFJFHSA-N 1 0 408.498 4.486 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501377159 910504998 /nfs/dbraw/zinc/50/49/98/910504998.db2.gz QMJUQNRKAFOUEJ-ZJSXRUAMSA-N 1 0 423.605 4.462 20 30 HIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000513155040 921589772 /nfs/dbraw/zinc/58/97/72/921589772.db2.gz UASDPCWCZYFGJN-GOSISDBHSA-N 1 0 416.447 4.003 20 30 HIEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C#N)cc1 ZINC000501788304 910840681 /nfs/dbraw/zinc/84/06/81/910840681.db2.gz FOKNTXYFWBLKOC-UHFFFAOYSA-N 1 0 404.341 4.388 20 30 HIEDRO CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000513206323 921623095 /nfs/dbraw/zinc/62/30/95/921623095.db2.gz VQPIQQSGJSEOSZ-JOCHJYFZSA-N 1 0 421.541 4.027 20 30 HIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000502318013 911292429 /nfs/dbraw/zinc/29/24/29/911292429.db2.gz DUGMRFZQYDCSBF-DVECYGJZSA-N 1 0 400.526 4.192 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000502499484 911505829 /nfs/dbraw/zinc/50/58/29/911505829.db2.gz QPOBZOGWHRDLCL-UHFFFAOYSA-N 1 0 404.514 4.148 20 30 HIEDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)cc1 ZINC000502623772 911652708 /nfs/dbraw/zinc/65/27/08/911652708.db2.gz TZRCANCNVSKVEG-UHFFFAOYSA-N 1 0 417.513 4.025 20 30 HIEDRO C[NH+](C)CCOc1ccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 ZINC000502759458 911781345 /nfs/dbraw/zinc/78/13/45/911781345.db2.gz MUXYQKHHUVQZSO-UHFFFAOYSA-N 1 0 415.493 4.330 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H]2CCCC23CCOCC3)c1C#N ZINC000502824299 911839807 /nfs/dbraw/zinc/83/98/07/911839807.db2.gz MVVOYJVHSOVZTN-NRFANRHFSA-N 1 0 412.578 4.359 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCCC12CCOCC2)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000502824228 911840029 /nfs/dbraw/zinc/84/00/29/911840029.db2.gz MDQFICWDZBSKMY-BEFAXECRSA-N 1 0 401.576 4.155 20 30 HIEDRO Cc1ccc2c(CC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)coc2c1C ZINC000513314136 921706282 /nfs/dbraw/zinc/70/62/82/921706282.db2.gz BZCJTBOBLVNGTN-UHFFFAOYSA-N 1 0 401.510 4.198 20 30 HIEDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1 ZINC000513336911 921723204 /nfs/dbraw/zinc/72/32/04/921723204.db2.gz XWWZLYGFXIVJPG-IBGZPJMESA-N 1 0 400.320 4.286 20 30 HIEDRO CCOc1c(Cl)cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000506295223 914890451 /nfs/dbraw/zinc/89/04/51/914890451.db2.gz PELBHQGENMQOKT-UHFFFAOYSA-N 1 0 413.949 4.327 20 30 HIEDRO Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000506309390 914899143 /nfs/dbraw/zinc/89/91/43/914899143.db2.gz SXYAVKFAFNUJTR-AOYPEHQESA-N 1 0 400.522 4.466 20 30 HIEDRO Cc1ccc([C@H](OC[C@@H](O)C[N@@H+](C)Cc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000506317616 914915060 /nfs/dbraw/zinc/91/50/60/914915060.db2.gz YXEGXZXFUXBCEA-IZZNHLLZSA-N 1 0 400.522 4.466 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000506478494 915084174 /nfs/dbraw/zinc/08/41/74/915084174.db2.gz ASFZJHRBXXPQIP-GOSISDBHSA-N 1 0 405.517 4.420 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2ccc(OC)cc2)c2ccccc2OC)CC1 ZINC000506488743 915094581 /nfs/dbraw/zinc/09/45/81/915094581.db2.gz KSCJJCBNCAVPLE-DEOSSOPVSA-N 1 0 423.557 4.133 20 30 HIEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000506529781 915171877 /nfs/dbraw/zinc/17/18/77/915171877.db2.gz CTAOTXFEFVUBAS-GOSISDBHSA-N 1 0 405.517 4.277 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](c4nccs4)C3)sc2C1 ZINC000506562834 915208960 /nfs/dbraw/zinc/20/89/60/915208960.db2.gz QAVPEHWXQZXLAP-CABCVRRESA-N 1 0 414.600 4.409 20 30 HIEDRO COC(=O)c1ccc(OC(C)C)c(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000513391514 921763953 /nfs/dbraw/zinc/76/39/53/921763953.db2.gz YNLANYPDVPZHTN-UHFFFAOYSA-N 1 0 407.514 4.209 20 30 HIEDRO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC000506807971 915557826 /nfs/dbraw/zinc/55/78/26/915557826.db2.gz WZVLZKYUXFGALQ-OAQYLSRUSA-N 1 0 402.498 4.126 20 30 HIEDRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507439907 916208770 /nfs/dbraw/zinc/20/87/70/916208770.db2.gz HDHMGXPBZMZAMP-FDDCHVKYSA-N 1 0 418.541 4.184 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]C2CCN(C(=O)c3ccccc3F)CC2)CC1 ZINC000507646067 916405328 /nfs/dbraw/zinc/40/53/28/916405328.db2.gz VMTITRPWHSYRTG-UHFFFAOYSA-N 1 0 405.517 4.424 20 30 HIEDRO Cn1cc(C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000507712151 916506372 /nfs/dbraw/zinc/50/63/72/916506372.db2.gz AHBOLIBJFJXSFL-UHFFFAOYSA-N 1 0 412.493 4.019 20 30 HIEDRO COc1ccc(Br)c(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000507758231 916544550 /nfs/dbraw/zinc/54/45/50/916544550.db2.gz LPDSOZCNKVIIRH-UHFFFAOYSA-N 1 0 416.319 4.204 20 30 HIEDRO Cn1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c(-c2ccccc2Cl)n1 ZINC000507767565 916552886 /nfs/dbraw/zinc/55/28/86/916552886.db2.gz CWVBFYHKMBWPSC-UHFFFAOYSA-N 1 0 421.932 4.487 20 30 HIEDRO CC(C)[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)Nc1ccc(F)cc1 ZINC000507768518 916553586 /nfs/dbraw/zinc/55/35/86/916553586.db2.gz HJKGUEIYSFVNNI-UHFFFAOYSA-N 1 0 416.884 4.028 20 30 HIEDRO COc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1OCCCC#N ZINC000507773078 916558075 /nfs/dbraw/zinc/55/80/75/916558075.db2.gz SUUNCUYFWOOYSL-UHFFFAOYSA-N 1 0 420.513 4.124 20 30 HIEDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3cc(C#N)cn3C(C)(C)C)c(C)c2)CC1 ZINC000508047624 916875114 /nfs/dbraw/zinc/87/51/14/916875114.db2.gz XZAXOXVLQGPFPD-UHFFFAOYSA-N 1 0 408.550 4.209 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000508243648 917060690 /nfs/dbraw/zinc/06/06/90/917060690.db2.gz RVKYPEQDBIFMED-RTBURBONSA-N 1 0 406.486 4.107 20 30 HIEDRO C=CCOc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000508429448 917218258 /nfs/dbraw/zinc/21/82/58/917218258.db2.gz XNTJERALBBZMEF-REWPJTCUSA-N 1 0 407.558 4.446 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000508431392 917219253 /nfs/dbraw/zinc/21/92/53/917219253.db2.gz QPSJUXDXRNKXLP-PKOBYXMFSA-N 1 0 422.495 4.424 20 30 HIEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508502971 917287017 /nfs/dbraw/zinc/28/70/17/917287017.db2.gz DEXLICBEPZBQQX-NZQKXSOJSA-N 1 0 421.589 4.113 20 30 HIEDRO C=CCn1c(CCCc2ccccc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508510721 917296356 /nfs/dbraw/zinc/29/63/56/917296356.db2.gz RTENKRABNTZGQO-GMAHTHKFSA-N 1 0 405.590 4.093 20 30 HIEDRO CCOc1cc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)ccc1O[C@H](C)C(=O)N(C)C ZINC000508601885 917372231 /nfs/dbraw/zinc/37/22/31/917372231.db2.gz BERUXQIUFRCKDA-RTBURBONSA-N 1 0 423.557 4.396 20 30 HIEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000508694001 917456439 /nfs/dbraw/zinc/45/64/39/917456439.db2.gz AXWUMZDWCJMKDW-UHFFFAOYSA-N 1 0 402.546 4.052 20 30 HIEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508736206 917496684 /nfs/dbraw/zinc/49/66/84/917496684.db2.gz ZEYKNEGOYJQCDE-IBGZPJMESA-N 1 0 404.562 4.156 20 30 HIEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508746878 917505474 /nfs/dbraw/zinc/50/54/74/917505474.db2.gz LLKUNDQOBKUVNS-SFHVURJKSA-N 1 0 413.541 4.198 20 30 HIEDRO C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000508750427 917508174 /nfs/dbraw/zinc/50/81/74/917508174.db2.gz ZHCXLWADXUAVTC-UHFFFAOYSA-N 1 0 420.586 4.095 20 30 HIEDRO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508814782 917568457 /nfs/dbraw/zinc/56/84/57/917568457.db2.gz WKQKNTPNKMQYIQ-MZYLBHOOSA-N 1 0 405.590 4.459 20 30 HIEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000508823017 917577645 /nfs/dbraw/zinc/57/76/45/917577645.db2.gz APLZNLGOGCILIV-HXUWFJFHSA-N 1 0 409.578 4.232 20 30 HIEDRO C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508825383 917578778 /nfs/dbraw/zinc/57/87/78/917578778.db2.gz DWYFSUIGCWABQS-HSZRJFAPSA-N 1 0 401.558 4.273 20 30 HIEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508850910 917604284 /nfs/dbraw/zinc/60/42/84/917604284.db2.gz WXZBZGRALQFEED-CTNGQTDRSA-N 1 0 404.562 4.094 20 30 HIEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508885894 917639901 /nfs/dbraw/zinc/63/99/01/917639901.db2.gz UZFCFIGGTLNNGQ-PUHATCMVSA-N 1 0 421.589 4.022 20 30 HIEDRO C=CCn1c(Cc2cccc3ccccc32)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508904445 917660468 /nfs/dbraw/zinc/66/04/68/917660468.db2.gz UKXYLSMYLWLFCG-QFIPXVFZSA-N 1 0 401.558 4.273 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508916781 917673916 /nfs/dbraw/zinc/67/39/16/917673916.db2.gz IAGZYETWMDZJSL-IEBWSBKVSA-N 1 0 415.969 4.322 20 30 HIEDRO C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000508956806 917713096 /nfs/dbraw/zinc/71/30/96/917713096.db2.gz UCAZMVVIDCNBAF-HSZRJFAPSA-N 1 0 423.605 4.129 20 30 HIEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508957154 917714431 /nfs/dbraw/zinc/71/44/31/917714431.db2.gz XBDAJADCFMGJLI-LJQANCHMSA-N 1 0 402.546 4.052 20 30 HIEDRO CCOc1cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)ccc1OC(F)F ZINC000509120303 917855626 /nfs/dbraw/zinc/85/56/26/917855626.db2.gz FKORNBAFXNCLQJ-UHFFFAOYSA-N 1 0 401.457 4.271 20 30 HIEDRO N#Cc1ccc(OC2CCN(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)CC2)cc1 ZINC000509373842 918039323 /nfs/dbraw/zinc/03/93/23/918039323.db2.gz RCLAVCOCQFSABY-OAQYLSRUSA-N 1 0 424.570 4.010 20 30 HIEDRO COc1ccc2[nH]cc(C3=CCN(CC(=O)Nc4ccc(C#N)c(Cl)c4)CC3)c2c1 ZINC000509558666 918208352 /nfs/dbraw/zinc/20/83/52/918208352.db2.gz QRWVPYUXBXTNJG-UHFFFAOYSA-N 1 0 420.900 4.429 20 30 HIEDRO C[C@H]([NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1 ZINC000509798900 918404194 /nfs/dbraw/zinc/40/41/94/918404194.db2.gz NICBIKSUIHEPLT-ATIQYGATSA-N 1 0 411.933 4.369 20 30 HIEDRO C[C@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C[NH+]1CCCC1 ZINC000509911546 918511703 /nfs/dbraw/zinc/51/17/03/918511703.db2.gz MSNKMYLBKBTJNL-LJQANCHMSA-N 1 0 406.530 4.185 20 30 HIEDRO C[C@@H]1C[C@@H](CCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000510071915 918640625 /nfs/dbraw/zinc/64/06/25/918640625.db2.gz NFUKFCMGTDWRQY-DENIHFKCSA-N 1 0 405.542 4.133 20 30 HIEDRO C[C@@H]1C[C@H](CCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000510071916 918640859 /nfs/dbraw/zinc/64/08/59/918640859.db2.gz NFUKFCMGTDWRQY-KNQAVFIVSA-N 1 0 405.542 4.133 20 30 HIEDRO C[C@H]1C[C@H](CCNC(=O)CSCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000510195812 918745053 /nfs/dbraw/zinc/74/50/53/918745053.db2.gz VRKYHIFCLJESQO-CVDCTZTESA-N 1 0 407.583 4.208 20 30 HIEDRO C=CCSc1ccccc1NC(=O)CN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000510222280 918767326 /nfs/dbraw/zinc/76/73/26/918767326.db2.gz KEKCDWJRHIPNAH-UHFFFAOYSA-N 1 0 409.599 4.500 20 30 HIEDRO C=C(C)COc1cc(C[NH+]2CCC(C(=O)N3CCC(C)CC3)CC2)ccc1OC ZINC000510387962 918866915 /nfs/dbraw/zinc/86/69/15/918866915.db2.gz YFRTVDQGQIAVST-UHFFFAOYSA-N 1 0 400.563 4.121 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)c1 ZINC000510422572 918888178 /nfs/dbraw/zinc/88/81/78/918888178.db2.gz AVADSSRXBWCHKV-UNMCSNQZSA-N 1 0 415.541 4.235 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CCC[C@@H]([NH+]3CCCC3)C2)cc1OC ZINC000510485677 918937492 /nfs/dbraw/zinc/93/74/92/918937492.db2.gz PBCVSCOOFQZINT-QGZVFWFLSA-N 1 0 409.368 4.083 20 30 HIEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(COc2ccccc2C#N)o1)[NH+](C)C ZINC000510526647 918973049 /nfs/dbraw/zinc/97/30/49/918973049.db2.gz UBGXZIJXFPYCEJ-UUOWRZLLSA-N 1 0 417.509 4.460 20 30 HIEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1occc1COc1cccc(C#N)c1)[NH+](C)C ZINC000510539902 918985607 /nfs/dbraw/zinc/98/56/07/918985607.db2.gz OCDOBIWRCDRTNN-JPYJTQIMSA-N 1 0 417.509 4.460 20 30 HIEDRO C[C@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510551206 918996857 /nfs/dbraw/zinc/99/68/57/918996857.db2.gz OOVPLPJPVOOYDW-WMZOPIPTSA-N 1 0 407.480 4.009 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000510645874 919086539 /nfs/dbraw/zinc/08/65/39/919086539.db2.gz MMKPFBGEMGXCQE-KRWDZBQOSA-N 1 0 408.502 4.355 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000510696788 919134069 /nfs/dbraw/zinc/13/40/69/919134069.db2.gz FIIXYDHPZKABML-JOCHJYFZSA-N 1 0 424.520 4.064 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000511396195 920008023 /nfs/dbraw/zinc/00/80/23/920008023.db2.gz GNCXMVBCXDQBHH-IBGZPJMESA-N 1 0 420.557 4.299 20 30 HIEDRO COc1ccc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)cc1OCCCC#N ZINC000511745195 920422150 /nfs/dbraw/zinc/42/21/50/920422150.db2.gz YVDIWHOIIUPXPO-UHFFFAOYSA-N 1 0 422.529 4.164 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1Cl ZINC000511781454 920472640 /nfs/dbraw/zinc/47/26/40/920472640.db2.gz NZUFHPMXQPTYCC-RZUBCFFCSA-N 1 0 409.917 4.045 20 30 HIEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000511837663 920547894 /nfs/dbraw/zinc/54/78/94/920547894.db2.gz IIURYDDUQHXDND-HLAWJBBLSA-N 1 0 404.432 4.243 20 30 HIEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000511873676 920604395 /nfs/dbraw/zinc/60/43/95/920604395.db2.gz KUTRKGGXVLSPLB-WOJBJXKFSA-N 1 0 401.432 4.119 20 30 HIEDRO N#CCCCOc1cccc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000512252237 921010933 /nfs/dbraw/zinc/01/09/33/921010933.db2.gz JKPDRVYLEGFUNI-UHFFFAOYSA-N 1 0 405.542 4.036 20 30 HIEDRO N#C[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1Cl ZINC000512274384 921029713 /nfs/dbraw/zinc/02/97/13/921029713.db2.gz CILOIACGCBFKBK-MJGOQNOKSA-N 1 0 403.860 4.178 20 30 HIEDRO C=C(C)C[NH2+]Cc1ccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(OCC)c1 ZINC000512369969 921110058 /nfs/dbraw/zinc/11/00/58/921110058.db2.gz ILCUPEJKWIJBMV-UHFFFAOYSA-N 1 0 414.458 4.105 20 30 HIEDRO C=CCOc1c(Br)cc(CNC[C@@H](C)C[NH+]2CCCCC2)cc1OC ZINC000513639140 921962794 /nfs/dbraw/zinc/96/27/94/921962794.db2.gz YGBSKFIMCSQUII-MRXNPFEDSA-N 1 0 411.384 4.234 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]CCc3ccc(F)c(Br)c3)CC2)cc1 ZINC000513656979 921977512 /nfs/dbraw/zinc/97/75/12/921977512.db2.gz ZSUCHLKHXFOPDS-UHFFFAOYSA-N 1 0 402.311 4.261 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@@H](c4nnc5n4CCC5)C3)c2)c1 ZINC000513672317 921995852 /nfs/dbraw/zinc/99/58/52/921995852.db2.gz JHSBXYQYFYNUDX-JOCHJYFZSA-N 1 0 413.525 4.055 20 30 HIEDRO COc1c(Cl)cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000513978112 922298478 /nfs/dbraw/zinc/29/84/78/922298478.db2.gz GACXWJFEGKUTCN-UHFFFAOYSA-N 1 0 421.328 4.469 20 30 HIEDRO CCC1(CNC(=O)NCc2cc(C#N)ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000514022040 922344212 /nfs/dbraw/zinc/34/42/12/922344212.db2.gz HSKIBMTWTGUGBM-UHFFFAOYSA-N 1 0 408.521 4.189 20 30 HIEDRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)ccc1OCC(C)C ZINC000514786857 922801902 /nfs/dbraw/zinc/80/19/02/922801902.db2.gz UIEOPXSHJDPKIJ-QZTJIDSGSA-N 1 0 401.551 4.112 20 30 HIEDRO COc1cc(C[N@@H+]2CC[C@@H](n3cc(C)cn3)C2)ccc1OCc1cccc(C#N)c1 ZINC000514820146 922813875 /nfs/dbraw/zinc/81/38/75/922813875.db2.gz NONGOPFTNNXBDW-JOCHJYFZSA-N 1 0 402.498 4.098 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)COc3ccc4ccccc4c3)CC2)c(F)c1 ZINC000514879936 922829621 /nfs/dbraw/zinc/82/96/21/922829621.db2.gz HSWAGVDWSIZZOX-OAQYLSRUSA-N 1 0 420.484 4.134 20 30 HIEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)c1 ZINC000517042829 923969489 /nfs/dbraw/zinc/96/94/89/923969489.db2.gz DEYXDQLFXKHJTD-UHFFFAOYSA-N 1 0 410.470 4.053 20 30 HIEDRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CC1 ZINC000517419260 924169019 /nfs/dbraw/zinc/16/90/19/924169019.db2.gz GANNUIHGADQMGI-UHFFFAOYSA-N 1 0 422.529 4.361 20 30 HIEDRO C[NH+]1CCC(C#N)(NC(=O)CCc2c3ccccc3[nH]c2-c2ccc(F)cc2)CC1 ZINC000517581216 926694475 /nfs/dbraw/zinc/69/44/75/926694475.db2.gz JKZRMBSHQCEGOD-UHFFFAOYSA-N 1 0 404.489 4.011 20 30 HIEDRO C[NH+]1CCC(C#N)(NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000518027038 926966285 /nfs/dbraw/zinc/96/62/85/926966285.db2.gz WRYIDZSSHNLSCS-UHFFFAOYSA-N 1 0 403.404 4.215 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(Br)cc3)nc2)CC1 ZINC000518501065 927312011 /nfs/dbraw/zinc/31/20/11/927312011.db2.gz POXOZXJHHVXDNZ-UHFFFAOYSA-N 1 0 416.319 4.017 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)CC1 ZINC000519270381 927857442 /nfs/dbraw/zinc/85/74/42/927857442.db2.gz KIHAXOQCMAUPIS-UHFFFAOYSA-N 1 0 406.555 4.007 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(C3CC3)nc3onc(CC(C)(C)C)c32)CC1 ZINC000519271143 927858227 /nfs/dbraw/zinc/85/82/27/927858227.db2.gz YRRMJUZBDMOWJO-UHFFFAOYSA-N 1 0 410.562 4.459 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(CCc3ccc(OCC)cc3)CC2)CC1 ZINC000519285574 927864169 /nfs/dbraw/zinc/86/41/69/927864169.db2.gz BERIVSAQUQZHBE-UHFFFAOYSA-N 1 0 413.606 4.480 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)CC1 ZINC000519287454 927864719 /nfs/dbraw/zinc/86/47/19/927864719.db2.gz FUCFIYMPSSUAKO-UHFFFAOYSA-N 1 0 416.909 4.347 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000519451287 927959132 /nfs/dbraw/zinc/95/91/32/927959132.db2.gz XJVBXUPOLNNIPI-SFHVURJKSA-N 1 0 421.570 4.406 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)C(C)(C)c2csc(-c3c(F)cccc3F)n2)CC1 ZINC000519651865 928036899 /nfs/dbraw/zinc/03/68/99/928036899.db2.gz HFTJIVOKNBBJAA-UHFFFAOYSA-N 1 0 405.514 4.133 20 30 HIEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000520582410 928653275 /nfs/dbraw/zinc/65/32/75/928653275.db2.gz GQENMQHTIWIUDP-UHFFFAOYSA-N 1 0 420.513 4.117 20 30 HIEDRO Cc1cnc(-c2cccc(NC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2)o1 ZINC000520936849 928882569 /nfs/dbraw/zinc/88/25/69/928882569.db2.gz JWWJXGUJUWOFPC-UHFFFAOYSA-N 1 0 415.497 4.262 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000521834184 929486693 /nfs/dbraw/zinc/48/66/93/929486693.db2.gz YTTRWXHRAAEXNI-RUZDIDTESA-N 1 0 411.505 4.028 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000524590196 929702059 /nfs/dbraw/zinc/70/20/59/929702059.db2.gz YRYHFTUIEJWTAU-KRWDZBQOSA-N 1 0 424.358 4.303 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2nc3ccccc3n2C)c2ccccc2)CC1 ZINC000524668933 929782457 /nfs/dbraw/zinc/78/24/57/929782457.db2.gz FIPQCKULOBHJND-QHCPKHFHSA-N 1 0 417.557 4.002 20 30 HIEDRO CC(C)(C)N(Cc1cccc(F)c1)C(=O)C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000524757963 929820505 /nfs/dbraw/zinc/82/05/05/929820505.db2.gz CCEPBEDLZBZSQH-UHFFFAOYSA-N 1 0 422.548 4.037 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)CCCCOc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000525039106 929994537 /nfs/dbraw/zinc/99/45/37/929994537.db2.gz FOHQIALLRJJMHP-WMZHIEFXSA-N 1 0 411.571 4.368 20 30 HIEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000525709423 930411863 /nfs/dbraw/zinc/41/18/63/930411863.db2.gz AKKGJCXDOYYNMW-UHFFFAOYSA-N 1 0 416.424 4.368 20 30 HIEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(OC)c(OCCCC#N)c3)ccc2NC1=O ZINC000525802572 930449303 /nfs/dbraw/zinc/44/93/03/930449303.db2.gz WEEPWQGUSMZTKM-UZLBHIALSA-N 1 0 423.513 4.338 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000530356730 930691815 /nfs/dbraw/zinc/69/18/15/930691815.db2.gz CAMPXHGENVMPCG-GOTSBHOMSA-N 1 0 418.541 4.068 20 30 HIEDRO N#Cc1cccc(Oc2ccc(NC(=O)CC3([NH+]4CCOCC4)CCCC3)cc2)c1 ZINC000531054113 930898989 /nfs/dbraw/zinc/89/89/89/930898989.db2.gz GDGGVWQRBXLYIY-UHFFFAOYSA-N 1 0 405.498 4.324 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000531471868 931070541 /nfs/dbraw/zinc/07/05/41/931070541.db2.gz OPVAKGHFPHFOCZ-YPAWHYETSA-N 1 0 410.949 4.424 20 30 HIEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000531553685 931101549 /nfs/dbraw/zinc/10/15/49/931101549.db2.gz LPJHPJMJPNQLMU-AAEUAGOBSA-N 1 0 408.365 4.222 20 30 HIEDRO Cc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c(O[C@@H]2CCOC2)c1 ZINC000531564444 931104242 /nfs/dbraw/zinc/10/42/42/931104242.db2.gz IGGDKSTTXABCLT-HSZRJFAPSA-N 1 0 416.525 4.230 20 30 HIEDRO CC(C)(C)[C@H](NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000532158729 931331815 /nfs/dbraw/zinc/33/18/15/931331815.db2.gz HKSOQAYSVZGPIY-HSZRJFAPSA-N 1 0 424.614 4.031 20 30 HIEDRO Cc1cc(C)c(NC(=O)CCC[NH+]2CCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000532468463 931449440 /nfs/dbraw/zinc/44/94/40/931449440.db2.gz XGXUHHYSPQPRJR-UHFFFAOYSA-N 1 0 404.558 4.020 20 30 HIEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](C)Cc1ccc(OC)cc1 ZINC000532554611 931521822 /nfs/dbraw/zinc/52/18/22/931521822.db2.gz WNNUPWVPWQCFQV-INIZCTEOSA-N 1 0 411.571 4.399 20 30 HIEDRO C=CCC[C@@H]([NH2+]Cc1c(C)nn(C)c1N1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000532725539 931610967 /nfs/dbraw/zinc/61/09/67/931610967.db2.gz AVAPIAUALWKDFU-HXUWFJFHSA-N 1 0 422.495 4.381 20 30 HIEDRO C=CCC[C@H]([NH2+]Cc1c(C)nn(C)c1N1CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000532725538 931611066 /nfs/dbraw/zinc/61/10/66/931611066.db2.gz AVAPIAUALWKDFU-FQEVSTJZSA-N 1 0 422.495 4.381 20 30 HIEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000532819845 931640005 /nfs/dbraw/zinc/64/00/05/931640005.db2.gz QOHQEHBWLMYWSC-UHFFFAOYSA-N 1 0 417.509 4.371 20 30 HIEDRO C[N@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1sccc1C#N ZINC000532957701 931711762 /nfs/dbraw/zinc/71/17/62/931711762.db2.gz KTNSAXVUDQOYSC-UHFFFAOYSA-N 1 0 407.543 4.293 20 30 HIEDRO COc1ccccc1[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000532967768 931719317 /nfs/dbraw/zinc/71/93/17/931719317.db2.gz HSIPMJRACPJKIP-MRXNPFEDSA-N 1 0 409.555 4.325 20 30 HIEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000533062381 931759665 /nfs/dbraw/zinc/75/96/65/931759665.db2.gz HPWMNZCCMJFSNA-UHFFFAOYSA-N 1 0 404.297 4.099 20 30 HIEDRO C=CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)CC1 ZINC000533286188 931828447 /nfs/dbraw/zinc/82/84/47/931828447.db2.gz ACQXOIRYOWVBHI-QGZVFWFLSA-N 1 0 407.514 4.173 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000533298165 931832366 /nfs/dbraw/zinc/83/23/66/931832366.db2.gz JOBBDQGQJGFWKE-HXUWFJFHSA-N 1 0 412.599 4.375 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(OCCc3ccccc3)CC1)CCC2 ZINC000533297379 931832380 /nfs/dbraw/zinc/83/23/80/931832380.db2.gz JDBCKDYOUIWKIJ-UHFFFAOYSA-N 1 0 423.582 4.161 20 30 HIEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000533364958 931849224 /nfs/dbraw/zinc/84/92/24/931849224.db2.gz PCNSGZZPHUNBPK-AEFFLSMTSA-N 1 0 414.937 4.159 20 30 HIEDRO COc1cc(CN2CCC[C@@H]2C[NH+]2CCCC2)ccc1OCc1cccc(C#N)c1 ZINC000533401070 931858643 /nfs/dbraw/zinc/85/86/43/931858643.db2.gz RPGGCKVMOOMKLM-HSZRJFAPSA-N 1 0 405.542 4.206 20 30 HIEDRO COc1ccc(C#N)cc1C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000533485683 931881649 /nfs/dbraw/zinc/88/16/49/931881649.db2.gz FXQZCTDUMCDGBC-UHFFFAOYSA-N 1 0 401.304 4.125 20 30 HIEDRO CC(C)(C)[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(F)cc1 ZINC000533486846 931882474 /nfs/dbraw/zinc/88/24/74/931882474.db2.gz DVFLKVDEYBREBR-NRFANRHFSA-N 1 0 405.477 4.199 20 30 HIEDRO Cc1cc([C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C2CC2)ccc1F ZINC000533967699 932142993 /nfs/dbraw/zinc/14/29/93/932142993.db2.gz SDXHRUGIKWSXKR-QHCPKHFHSA-N 1 0 408.521 4.230 20 30 HIEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Sc3ccccc3C)cc2)c1C#N ZINC000534061551 932241258 /nfs/dbraw/zinc/24/12/58/932241258.db2.gz IRAVVOFKQVDOQW-UHFFFAOYSA-N 1 0 405.527 4.145 20 30 HIEDRO C[N@@H+]1CC[C@@H](CNC(=O)CSc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534222188 932342040 /nfs/dbraw/zinc/34/20/40/932342040.db2.gz RFLOOKWBLHLXGX-KKSFZXQISA-N 1 0 417.937 4.252 20 30 HIEDRO C[NH+](C)Cc1ccc(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1F ZINC000534262355 932370636 /nfs/dbraw/zinc/37/06/36/932370636.db2.gz ZKCXNROKBJETDN-UHFFFAOYSA-N 1 0 403.457 4.481 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)sc2c1CCCC2 ZINC000534356497 932391101 /nfs/dbraw/zinc/39/11/01/932391101.db2.gz GLQFCGJZJCRTKD-NRFANRHFSA-N 1 0 423.582 4.100 20 30 HIEDRO COc1ccc(C[C@H](C)C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000534905717 932832505 /nfs/dbraw/zinc/83/25/05/932832505.db2.gz ZINHXKQXZAILNY-INIZCTEOSA-N 1 0 411.571 4.256 20 30 HIEDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(CC#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535676121 933324470 /nfs/dbraw/zinc/32/44/70/933324470.db2.gz OGNPASJNDUZZCH-OXJNMPFZSA-N 1 0 400.885 4.360 20 30 HIEDRO COc1ccc(C#N)cc1NC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535680698 933332415 /nfs/dbraw/zinc/33/24/15/933332415.db2.gz OVFOTJBZRQKRAA-MGPUTAFESA-N 1 0 416.884 4.174 20 30 HIEDRO COc1ccc(Br)c(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000537296875 933703172 /nfs/dbraw/zinc/70/31/72/933703172.db2.gz YYEXKGUTMIXGSW-UHFFFAOYSA-N 1 0 414.347 4.084 20 30 HIEDRO COc1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1OCCCC#N ZINC000537342979 933726316 /nfs/dbraw/zinc/72/63/16/933726316.db2.gz IXTGJBFKXDDVCY-KNQAVFIVSA-N 1 0 402.441 4.276 20 30 HIEDRO C=CC[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537628886 938339889 /nfs/dbraw/zinc/33/98/89/938339889.db2.gz JHARCXPHBJPLOD-MRXNPFEDSA-N 1 0 419.920 4.455 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC000537639521 938343775 /nfs/dbraw/zinc/34/37/75/938343775.db2.gz SNMUESZFFPRKQQ-UHFFFAOYSA-N 1 0 414.431 4.262 20 30 HIEDRO CC(C)(CCC#N)C[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000537662001 938349180 /nfs/dbraw/zinc/34/91/80/938349180.db2.gz YYBGOHICVGFILU-UHFFFAOYSA-N 1 0 412.315 4.464 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)cc1OCC ZINC000537687197 938354476 /nfs/dbraw/zinc/35/44/76/938354476.db2.gz DEUXFAJXNJUVDQ-SJLPKXTDSA-N 1 0 410.352 4.414 20 30 HIEDRO C=CCOc1cccc(C[N@H+]2CCCN(Cc3csc([C@@H](C)OC)n3)CC2)c1 ZINC000537711741 938361785 /nfs/dbraw/zinc/36/17/85/938361785.db2.gz WIPNDXMJDRZPJP-GOSISDBHSA-N 1 0 401.576 4.123 20 30 HIEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000538130328 938515107 /nfs/dbraw/zinc/51/51/07/938515107.db2.gz ZFYDKGQIUPXSII-GOSISDBHSA-N 1 0 412.493 4.490 20 30 HIEDRO COc1cc([C@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)ccc1OCc1ccccc1 ZINC000538150759 938523031 /nfs/dbraw/zinc/52/30/31/938523031.db2.gz LSHDQFSXFHIXKI-IBGZPJMESA-N 1 0 421.541 4.267 20 30 HIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)c(C#N)c1C ZINC000538155810 938526026 /nfs/dbraw/zinc/52/60/26/938526026.db2.gz PZBKRUZLLPNLRE-DLBZAZTESA-N 1 0 418.497 4.420 20 30 HIEDRO COCCSc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000538205701 938553825 /nfs/dbraw/zinc/55/38/25/938553825.db2.gz ZEUHAEIHHCQEES-GJZGRUSLSA-N 1 0 401.532 4.184 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[N@H+](Cc2ccccc2)CC(C)(C)O)ccc1Cl ZINC000538321406 938592176 /nfs/dbraw/zinc/59/21/76/938592176.db2.gz GHCJYZXUYCVOAM-UHFFFAOYSA-N 1 0 413.949 4.168 20 30 HIEDRO Cc1ccccc1[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000538390312 938609409 /nfs/dbraw/zinc/60/94/09/938609409.db2.gz ORIWHFAFNSVFIX-JOCHJYFZSA-N 1 0 400.444 4.222 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c(OC(F)F)c1 ZINC000538666535 938680192 /nfs/dbraw/zinc/68/01/92/938680192.db2.gz VFLGMNDTYXGWEO-GOSISDBHSA-N 1 0 409.440 4.324 20 30 HIEDRO N#Cc1ccccc1-c1ccc(CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000539102102 938803152 /nfs/dbraw/zinc/80/31/52/938803152.db2.gz HCWAYGTXPKTLMB-DEOSSOPVSA-N 1 0 410.521 4.149 20 30 HIEDRO CCN1CC[C@@H](NC(=O)CSc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539133233 938808689 /nfs/dbraw/zinc/80/86/89/938808689.db2.gz QUKMTRYVDFIGRR-TZIWHRDSSA-N 1 0 417.937 4.395 20 30 HIEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(OCc2cccnc2)cc1 ZINC000539226108 938821768 /nfs/dbraw/zinc/82/17/68/938821768.db2.gz LDOIYKAEQQOERS-GOSISDBHSA-N 1 0 400.482 4.212 20 30 HIEDRO CCCCOc1ccc([C@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cc1OC ZINC000539269444 938830765 /nfs/dbraw/zinc/83/07/65/938830765.db2.gz HBWZCLHSNNULHX-SFHVURJKSA-N 1 0 401.551 4.210 20 30 HIEDRO CCC[C@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000539422671 938858124 /nfs/dbraw/zinc/85/81/24/938858124.db2.gz BFMXPZQFQOVIMM-QFIPXVFZSA-N 1 0 401.514 4.095 20 30 HIEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000539425697 938858864 /nfs/dbraw/zinc/85/88/64/938858864.db2.gz XRYHICJCXICFEC-QZTJIDSGSA-N 1 0 401.860 4.454 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539494077 938868281 /nfs/dbraw/zinc/86/82/81/938868281.db2.gz XQWVKTGKXGRVIM-HSZRJFAPSA-N 1 0 410.539 4.415 20 30 HIEDRO CCOc1ccc(CC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1OCC ZINC000539499425 938869173 /nfs/dbraw/zinc/86/91/73/938869173.db2.gz IDNWRCMMXRXQTD-UHFFFAOYSA-N 1 0 407.558 4.152 20 30 HIEDRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+]Cc3ccc(C#N)s3)c2)cc1 ZINC000539502492 938869551 /nfs/dbraw/zinc/86/95/51/938869551.db2.gz FJJPXCJQVYFXAT-UHFFFAOYSA-N 1 0 407.495 4.049 20 30 HIEDRO C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1cccc(C#N)c1 ZINC000539511459 938871013 /nfs/dbraw/zinc/87/10/13/938871013.db2.gz XKDVUZWSGKZNMA-HNNXBMFYSA-N 1 0 400.320 4.008 20 30 HIEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NCc1cn(CCC#N)nc1-c1ccccc1 ZINC000539923817 938978147 /nfs/dbraw/zinc/97/81/47/938978147.db2.gz HHFJFVZNRVFBQZ-UHFFFAOYSA-N 1 0 414.557 4.136 20 30 HIEDRO C[C@@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000540152521 939093715 /nfs/dbraw/zinc/09/37/15/939093715.db2.gz JFXBUDKDBWWINH-JPYJTQIMSA-N 1 0 423.538 4.454 20 30 HIEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000540309945 939189710 /nfs/dbraw/zinc/18/97/10/939189710.db2.gz YPTVWDVRNBQXFH-WIOPSUGQSA-N 1 0 414.553 4.384 20 30 HIEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccccc1-n1cccn1 ZINC000540358940 939208082 /nfs/dbraw/zinc/20/80/82/939208082.db2.gz BIMIAHDILFKIQK-KRWDZBQOSA-N 1 0 407.905 4.123 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccccc1-n1cccn1 ZINC000540358943 939208465 /nfs/dbraw/zinc/20/84/65/939208465.db2.gz BIMIAHDILFKIQK-QGZVFWFLSA-N 1 0 407.905 4.123 20 30 HIEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)c1ccc2c(c1)OCCO2 ZINC000540376724 939217023 /nfs/dbraw/zinc/21/70/23/939217023.db2.gz RRJIDJDBHKDCFO-FQEVSTJZSA-N 1 0 407.514 4.062 20 30 HIEDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)ccc1OCCC(C)C ZINC000540378750 939219641 /nfs/dbraw/zinc/21/96/41/939219641.db2.gz CRJNZRLVKGNRDM-INIZCTEOSA-N 1 0 413.518 4.491 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)sc2c1CCCC2 ZINC000540389976 939227522 /nfs/dbraw/zinc/22/75/22/939227522.db2.gz KYAOONLPPCYKEZ-VGSWGCGISA-N 1 0 409.555 4.195 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000540436452 939248629 /nfs/dbraw/zinc/24/86/29/939248629.db2.gz WVADFPUUVHUVSD-UHFFFAOYSA-N 1 0 409.839 4.434 20 30 HIEDRO Cn1cc([C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C(C)(C)C)cn1 ZINC000540477190 939268375 /nfs/dbraw/zinc/26/83/75/939268375.db2.gz PIGRUNYDRTYPPW-FQEVSTJZSA-N 1 0 413.591 4.328 20 30 HIEDRO Cn1ccnc1[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000540597013 939315385 /nfs/dbraw/zinc/31/53/85/939315385.db2.gz FWBVBHWGXOQSRR-HSZRJFAPSA-N 1 0 419.960 4.289 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000540605563 939317602 /nfs/dbraw/zinc/31/76/02/939317602.db2.gz AYIPPYGWUCKXBZ-XZOQPEGZSA-N 1 0 413.924 4.435 20 30 HIEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000540668497 939334806 /nfs/dbraw/zinc/33/48/06/939334806.db2.gz UUYKSVJRMPSURI-HXUWFJFHSA-N 1 0 401.432 4.200 20 30 HIEDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540741293 939355009 /nfs/dbraw/zinc/35/50/09/939355009.db2.gz HTHOAWJPZKALQY-UTKZUKDTSA-N 1 0 411.908 4.457 20 30 HIEDRO C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)cc1 ZINC000540776505 939368021 /nfs/dbraw/zinc/36/80/21/939368021.db2.gz JLIDOOFSFGRMHA-KRWDZBQOSA-N 1 0 411.933 4.011 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc(C(=O)N4CCCCC4)c3)CC2)cc1 ZINC000540973281 939422472 /nfs/dbraw/zinc/42/24/72/939422472.db2.gz PQZAONNPTUJCTC-UHFFFAOYSA-N 1 0 402.542 4.261 20 30 HIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000541026934 939434496 /nfs/dbraw/zinc/43/44/96/939434496.db2.gz JJEPHLQQBRGOHS-QZTJIDSGSA-N 1 0 419.504 4.306 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541083992 939453794 /nfs/dbraw/zinc/45/37/94/939453794.db2.gz DLICBNAYJUESKY-QGZVFWFLSA-N 1 0 414.465 4.447 20 30 HIEDRO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541131989 939472254 /nfs/dbraw/zinc/47/22/54/939472254.db2.gz DBCOCCUUIIRYRA-HOYKHHGWSA-N 1 0 403.526 4.046 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(CCCn3ccnc3)CC2)c1 ZINC000541201937 939485362 /nfs/dbraw/zinc/48/53/62/939485362.db2.gz CVFXUJGKXZKRKV-JOCHJYFZSA-N 1 0 421.589 4.328 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000541202444 939485432 /nfs/dbraw/zinc/48/54/32/939485432.db2.gz KLVSXXATYYAVQY-IBGZPJMESA-N 1 0 400.592 4.040 20 30 HIEDRO COc1cccc([C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[NH+]2CCCC2)c1 ZINC000541447795 939518846 /nfs/dbraw/zinc/51/88/46/939518846.db2.gz JUOYDXBQDVFZCL-XMMPIXPASA-N 1 0 418.541 4.078 20 30 HIEDRO CC1(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000541562753 939555817 /nfs/dbraw/zinc/55/58/17/939555817.db2.gz ZYPPWJFRBQBPGV-UHFFFAOYSA-N 1 0 414.471 4.475 20 30 HIEDRO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541703702 939609760 /nfs/dbraw/zinc/60/97/60/939609760.db2.gz NSFLNGQIJLTDCY-ICSRJNTNSA-N 1 0 401.869 4.141 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)C(C)C ZINC000541787475 939630404 /nfs/dbraw/zinc/63/04/04/939630404.db2.gz QRNUECDVCDVQHW-DNVJHFABSA-N 1 0 417.569 4.386 20 30 HIEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccccc1 ZINC000541908196 939651484 /nfs/dbraw/zinc/65/14/84/939651484.db2.gz SSQCVIPHWNCROZ-INIZCTEOSA-N 1 0 420.492 4.134 20 30 HIEDRO C=CCC[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000541967339 939664703 /nfs/dbraw/zinc/66/47/03/939664703.db2.gz UQLPGYMILWEDQG-RPWUZVMVSA-N 1 0 407.558 4.150 20 30 HIEDRO COc1cc(C[NH2+][C@H](CO)c2ccccc2C)ccc1OCc1cccc(C#N)c1 ZINC000541984150 939670210 /nfs/dbraw/zinc/67/02/10/939670210.db2.gz KYVSZXGFJVQMOI-HSZRJFAPSA-N 1 0 402.494 4.278 20 30 HIEDRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542004089 939679702 /nfs/dbraw/zinc/67/97/02/939679702.db2.gz CFWJCPQDRGFGFT-NVXWUHKLSA-N 1 0 401.514 4.253 20 30 HIEDRO CC(C)c1nnc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1 ZINC000542014801 939686232 /nfs/dbraw/zinc/68/62/32/939686232.db2.gz ZZVRKELEKDDBGY-HNNXBMFYSA-N 1 0 405.527 4.489 20 30 HIEDRO N#Cc1c(Cl)cccc1SCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000542103220 939715049 /nfs/dbraw/zinc/71/50/49/939715049.db2.gz UHZMYRXHQVMHEA-UHFFFAOYSA-N 1 0 417.987 4.491 20 30 HIEDRO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000542261600 939775657 /nfs/dbraw/zinc/77/56/57/939775657.db2.gz PCSUBTBMFAVJIB-GPXOXTDOSA-N 1 0 403.526 4.034 20 30 HIEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000542586107 939846470 /nfs/dbraw/zinc/84/64/70/939846470.db2.gz YCQHGZBJGVJJLT-KUHUBIRLSA-N 1 0 411.502 4.220 20 30 HIEDRO CN(C(=O)C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1)C1(C#N)CCCCC1 ZINC000543051287 939909616 /nfs/dbraw/zinc/90/96/16/939909616.db2.gz BIHHOPLNUKDZOB-NRFANRHFSA-N 1 0 410.949 4.293 20 30 HIEDRO C[C@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000543363070 940041937 /nfs/dbraw/zinc/04/19/37/940041937.db2.gz UQVYCALZJNUTAZ-CVDCTZTESA-N 1 0 402.542 4.285 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000543363321 940042482 /nfs/dbraw/zinc/04/24/82/940042482.db2.gz IOBDOUDPZPQAQY-NTKDMRAZSA-N 1 0 402.542 4.143 20 30 HIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000543516193 940092902 /nfs/dbraw/zinc/09/29/02/940092902.db2.gz VEPIFRLMFJMSHJ-HNNXBMFYSA-N 1 0 411.552 4.115 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000543585051 940119510 /nfs/dbraw/zinc/11/95/10/940119510.db2.gz FFYLVUZYEYEIKY-HOTGVXAUSA-N 1 0 401.576 4.107 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc(NC(=O)c4ccoc4)c3)CC2)cc1 ZINC000543758968 940177002 /nfs/dbraw/zinc/17/70/02/940177002.db2.gz HKJSZDOYJTWSLI-UHFFFAOYSA-N 1 0 400.482 4.480 20 30 HIEDRO COc1cccc2c1CC[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCCCC3)C2 ZINC000543874138 940220184 /nfs/dbraw/zinc/22/01/84/940220184.db2.gz YOSJKFXDOCEGSZ-UHFFFAOYSA-N 1 0 409.555 4.284 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC=C(c3cccc(Br)c3)CC2)CC1 ZINC000545865369 940642979 /nfs/dbraw/zinc/64/29/79/940642979.db2.gz SFZAHABTNQWKAR-UHFFFAOYSA-N 1 0 418.379 4.288 20 30 HIEDRO CCN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546227249 940735675 /nfs/dbraw/zinc/73/56/75/940735675.db2.gz PBIGHQPHMQMSKH-QFIPXVFZSA-N 1 0 414.553 4.334 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H](c3ccccc3)C(F)(F)F)CC2)cc1 ZINC000547843580 941078091 /nfs/dbraw/zinc/07/80/91/941078091.db2.gz QWHPHXKSFWFOJM-HXUWFJFHSA-N 1 0 416.447 4.079 20 30 HIEDRO N#Cc1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1Cl ZINC000548612044 941115046 /nfs/dbraw/zinc/11/50/46/941115046.db2.gz NQLXPWSRTPUYII-UHFFFAOYSA-N 1 0 410.905 4.278 20 30 HIEDRO N#CC1(c2ccccn2)CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000548865218 941127142 /nfs/dbraw/zinc/12/71/42/941127142.db2.gz ODFFRMVYNPZKCT-HXUWFJFHSA-N 1 0 410.521 4.108 20 30 HIEDRO Cc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c(-c2cnn(C)c2)c1 ZINC000548983443 941138848 /nfs/dbraw/zinc/13/88/48/941138848.db2.gz DKXFVFQXPKVLMG-UHFFFAOYSA-N 1 0 401.514 4.142 20 30 HIEDRO CCN1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549110852 941160679 /nfs/dbraw/zinc/16/06/79/941160679.db2.gz JPXMSDYBGBEBBQ-IRLDBZIGSA-N 1 0 414.912 4.104 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000549250555 941174200 /nfs/dbraw/zinc/17/42/00/941174200.db2.gz YNGRDKQBJCWQSX-UYAOXDASSA-N 1 0 413.541 4.198 20 30 HIEDRO C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000549287505 941177028 /nfs/dbraw/zinc/17/70/28/941177028.db2.gz LCTHTDUHLHTRDV-NRFANRHFSA-N 1 0 423.605 4.308 20 30 HIEDRO Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000549452207 941191573 /nfs/dbraw/zinc/19/15/73/941191573.db2.gz YNAHPQYUOCMKNF-XDNSSPFJSA-N 1 0 400.530 4.108 20 30 HIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000549477401 941194722 /nfs/dbraw/zinc/19/47/22/941194722.db2.gz KOEGEXWCHLDXSG-NFBKMPQASA-N 1 0 415.484 4.037 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000549644865 941202693 /nfs/dbraw/zinc/20/26/93/941202693.db2.gz YJYCBKJEWRZVIN-JOCHJYFZSA-N 1 0 418.589 4.485 20 30 HIEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000549691141 941204685 /nfs/dbraw/zinc/20/46/85/941204685.db2.gz WOKCEVRDEVUDLS-HXUWFJFHSA-N 1 0 408.594 4.397 20 30 HIEDRO CCOc1cc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)ccc1OC(F)F ZINC000551220802 941429977 /nfs/dbraw/zinc/42/99/77/941429977.db2.gz QBLIZXXGHYKEJL-UHFFFAOYSA-N 1 0 401.457 4.317 20 30 HIEDRO N#CC1(NC(=O)C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)CCCCC1 ZINC000551421634 941475918 /nfs/dbraw/zinc/47/59/18/941475918.db2.gz HSWYORFSVGLWOS-HXUWFJFHSA-N 1 0 423.479 4.105 20 30 HIEDRO N#CCCN(C(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(F)cc1 ZINC000552012148 941568404 /nfs/dbraw/zinc/56/84/04/941568404.db2.gz SGQYUUDUWXJFKU-HXUWFJFHSA-N 1 0 401.432 4.230 20 30 HIEDRO CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)s1 ZINC000552089739 941583032 /nfs/dbraw/zinc/58/30/32/941583032.db2.gz UJGIYPMKRKYGSM-POQQUOOYSA-N 1 0 411.575 4.057 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1OC ZINC000552102539 941585929 /nfs/dbraw/zinc/58/59/29/941585929.db2.gz DWTZDWBPUYHYKL-QGZVFWFLSA-N 1 0 423.395 4.186 20 30 HIEDRO C=CCOc1ccc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1OC ZINC000552133721 941591329 /nfs/dbraw/zinc/59/13/29/941591329.db2.gz QNOUQIMAHCMCMM-SFHVURJKSA-N 1 0 414.571 4.224 20 30 HIEDRO COc1ccccc1[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N1CCCCC1 ZINC000552234900 941610220 /nfs/dbraw/zinc/61/02/20/941610220.db2.gz ZDADXKIHFZYMAA-RUZDIDTESA-N 1 0 418.585 4.352 20 30 HIEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCSc3ccc(F)cc32)c(OC)c1 ZINC000552497260 941688939 /nfs/dbraw/zinc/68/89/39/941688939.db2.gz BDVVRXZKYBYUCK-MJGOQNOKSA-N 1 0 403.519 4.129 20 30 HIEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1Br ZINC000553202445 941848284 /nfs/dbraw/zinc/84/82/84/941848284.db2.gz RQZFMTDCBBUCDF-RYUDHWBXSA-N 1 0 420.307 4.217 20 30 HIEDRO C[C@@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[NH+]1CCC(C)CC1 ZINC000553238174 941854845 /nfs/dbraw/zinc/85/48/45/941854845.db2.gz RVXWMMOYIYCOAC-SFHVURJKSA-N 1 0 416.997 4.055 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2cccnc2)c1C#N ZINC000553890515 941991458 /nfs/dbraw/zinc/99/14/58/941991458.db2.gz WEIVULGMYBNBAM-JOCHJYFZSA-N 1 0 417.513 4.179 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@H]2c2cccnc2)c1C#N ZINC000553890517 941992118 /nfs/dbraw/zinc/99/21/18/941992118.db2.gz WEIVULGMYBNBAM-QFIPXVFZSA-N 1 0 417.513 4.179 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000553942999 942004383 /nfs/dbraw/zinc/00/43/83/942004383.db2.gz ILFAVHLDVGOOBL-MAUKXSAKSA-N 1 0 417.962 4.244 20 30 HIEDRO C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@@H](c1ccccc1)[NH+](C)C ZINC000554072972 942030018 /nfs/dbraw/zinc/03/00/18/942030018.db2.gz HORASRRYYTUVBD-KKSFZXQISA-N 1 0 419.554 4.418 20 30 HIEDRO COc1cc(C[NH2+][C@H](CO)c2ccc(F)cc2)ccc1OCc1cccc(C#N)c1 ZINC000554637120 942182545 /nfs/dbraw/zinc/18/25/45/942182545.db2.gz ZMFMAIYSQUYTBN-JOCHJYFZSA-N 1 0 406.457 4.108 20 30 HIEDRO C[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000554748936 942219548 /nfs/dbraw/zinc/21/95/48/942219548.db2.gz FDHQBQXZDBFPGQ-WOVMCDHWSA-N 1 0 420.397 4.226 20 30 HIEDRO CC(C)N1CC[C@@H]([NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555005836 942352694 /nfs/dbraw/zinc/35/26/94/942352694.db2.gz IMZNSPCHJWMIFW-CODJPFMTSA-N 1 0 422.976 4.035 20 30 HIEDRO CCN1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2OC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555132202 942396361 /nfs/dbraw/zinc/39/63/61/942396361.db2.gz HAGSKALNMMHYDU-KNQAVFIVSA-N 1 0 417.912 4.163 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000555241349 942443290 /nfs/dbraw/zinc/44/32/90/942443290.db2.gz YAYRXIOSLKETTL-OAQYLSRUSA-N 1 0 409.578 4.115 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CC[C@H](OC(F)F)C2)cc1OCC ZINC000555368311 942498090 /nfs/dbraw/zinc/49/80/90/942498090.db2.gz XBFZELRGRSADMG-ZDUSSCGKSA-N 1 0 406.267 4.226 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)c1C ZINC000555598052 942662583 /nfs/dbraw/zinc/66/25/83/942662583.db2.gz NPXTXPOUKRDOLM-LJQANCHMSA-N 1 0 419.504 4.226 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000555626022 942677870 /nfs/dbraw/zinc/67/78/70/942677870.db2.gz NEPFJCKTESYVOK-IRXDYDNUSA-N 1 0 423.467 4.136 20 30 HIEDRO CN1CC[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]1c1ccccc1 ZINC000556124891 942808133 /nfs/dbraw/zinc/80/81/33/942808133.db2.gz KJPHQKJVKYJFEX-REWPJTCUSA-N 1 0 422.598 4.252 20 30 HIEDRO N#Cc1cccc(C2([NH2+]CC(=O)Nc3ccc(N4CCc5ccccc54)cc3)CC2)c1 ZINC000556510680 942887966 /nfs/dbraw/zinc/88/79/66/942887966.db2.gz NFBQQORDAJNNBC-UHFFFAOYSA-N 1 0 408.505 4.470 20 30 HIEDRO N#Cc1ccc2ncc(C[NH2+]C3(c4cccc(C(F)(F)F)c4)CCOCC3)n2c1 ZINC000556617957 942918421 /nfs/dbraw/zinc/91/84/21/942918421.db2.gz REWABYKIHMQWMF-UHFFFAOYSA-N 1 0 400.404 4.020 20 30 HIEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)s1 ZINC000556829580 942937755 /nfs/dbraw/zinc/93/77/55/942937755.db2.gz PVJMAYYOMRCYLL-LJQANCHMSA-N 1 0 411.571 4.066 20 30 HIEDRO N#Cc1ccc(N2CCC(C(=O)Nc3cccc(CC[NH+]4CCCC4)c3)CC2)c(F)c1 ZINC000556959413 942979518 /nfs/dbraw/zinc/97/95/18/942979518.db2.gz PRKNWMNCPUTVDK-UHFFFAOYSA-N 1 0 420.532 4.191 20 30 HIEDRO COc1cccc([C@@H]2[C@H](NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000556971223 942984281 /nfs/dbraw/zinc/98/42/81/942984281.db2.gz NAXJAFOGFGTYTA-DHIUTWEWSA-N 1 0 421.516 4.078 20 30 HIEDRO C=CCc1cc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)cc(OC)c1O ZINC000557521536 943188454 /nfs/dbraw/zinc/18/84/54/943188454.db2.gz NUTZDEPBSLTXDI-FQEVSTJZSA-N 1 0 404.514 4.294 20 30 HIEDRO N#Cc1cc(Br)ccc1CN1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000558102145 943379553 /nfs/dbraw/zinc/37/95/53/943379553.db2.gz PXUXDWKTCODKGR-UHFFFAOYSA-N 1 0 422.330 4.485 20 30 HIEDRO COCc1cccc(OCC2(C[NH+]3CCC(C#N)(c4ccccn4)CC3)CCC2)c1 ZINC000558629366 943621191 /nfs/dbraw/zinc/62/11/91/943621191.db2.gz PPKFESSHHRWQOX-UHFFFAOYSA-N 1 0 405.542 4.334 20 30 HIEDRO CC(C)C(=O)c1ccc([C@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000558805402 943670744 /nfs/dbraw/zinc/67/07/44/943670744.db2.gz FRUWJTXIBFJIIT-IBGZPJMESA-N 1 0 405.542 4.091 20 30 HIEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000558988686 943789919 /nfs/dbraw/zinc/78/99/19/943789919.db2.gz SMFZECCYDHDOEB-OAQYLSRUSA-N 1 0 418.589 4.169 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000559011940 943803433 /nfs/dbraw/zinc/80/34/33/943803433.db2.gz WSWMTCLMTGKJFX-OAQYLSRUSA-N 1 0 411.594 4.218 20 30 HIEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000559027923 943809201 /nfs/dbraw/zinc/80/92/01/943809201.db2.gz RKFIOQGIAVIACV-UHFFFAOYSA-N 1 0 415.557 4.129 20 30 HIEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cc2)C1 ZINC000559047754 943815064 /nfs/dbraw/zinc/81/50/64/943815064.db2.gz KQQMQSZBSZSFPD-HNNXBMFYSA-N 1 0 416.447 4.134 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)c1 ZINC000559315671 943894789 /nfs/dbraw/zinc/89/47/89/943894789.db2.gz IQCRIVUNNMJRFW-UHFFFAOYSA-N 1 0 403.526 4.085 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1OC ZINC000559343206 943900568 /nfs/dbraw/zinc/90/05/68/943900568.db2.gz YHKAHXXEOMHPOZ-UWJYYQICSA-N 1 0 412.505 4.241 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1OC ZINC000559343203 943901155 /nfs/dbraw/zinc/90/11/55/943901155.db2.gz YHKAHXXEOMHPOZ-DYESRHJHSA-N 1 0 412.505 4.241 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](c3cncc(Br)c3)C3CC3)CC2)cc1 ZINC000560537597 944246727 /nfs/dbraw/zinc/24/67/27/944246727.db2.gz SEXMARVJWCJJOA-OAQYLSRUSA-N 1 0 411.347 4.425 20 30 HIEDRO C[C@@H](Nc1cccc(CC[N@H+](C)C2CC2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000561060226 944421482 /nfs/dbraw/zinc/42/14/82/944421482.db2.gz KSQAENDRQHMQNY-GOSISDBHSA-N 1 0 408.521 4.210 20 30 HIEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)cc1 ZINC000561160553 944488617 /nfs/dbraw/zinc/48/86/17/944488617.db2.gz IONKOOFFFZMGAV-BWKNWUBXSA-N 1 0 404.485 4.205 20 30 HIEDRO CCC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1ccc(F)cc1 ZINC000561349428 944558744 /nfs/dbraw/zinc/55/87/44/944558744.db2.gz XXGKFFKXFHRMPU-UHFFFAOYSA-N 1 0 406.423 4.224 20 30 HIEDRO C=CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1OCC ZINC000561983069 944885638 /nfs/dbraw/zinc/88/56/38/944885638.db2.gz NAODBZXCGVAMIF-CRAIPNDOSA-N 1 0 411.384 4.185 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000562024736 944899199 /nfs/dbraw/zinc/89/91/99/944899199.db2.gz MXHIRFIOYYXSBE-GCJKJVERSA-N 1 0 417.557 4.430 20 30 HIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(S(=O)(=O)Nc3ccc(F)cc3)cc1)CC2 ZINC000562085875 944930449 /nfs/dbraw/zinc/93/04/49/944930449.db2.gz VUPVGJDPVZWOSF-QHCPKHFHSA-N 1 0 421.497 4.275 20 30 HIEDRO Cc1ccc(NC(=O)C2CCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)nc1 ZINC000562201162 945017140 /nfs/dbraw/zinc/01/71/40/945017140.db2.gz MZVAHIKGTZXSPR-UHFFFAOYSA-N 1 0 402.420 4.131 20 30 HIEDRO COc1ccc(C[C@H]2CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)cc1 ZINC000562243395 945039431 /nfs/dbraw/zinc/03/94/31/945039431.db2.gz IXPDVPMEOWNGCL-TZIWHRDSSA-N 1 0 423.532 4.424 20 30 HIEDRO CN(CCC(F)(F)F)[C@@H](C[NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000564415769 945566067 /nfs/dbraw/zinc/56/60/67/945566067.db2.gz SPCCKZIZEWFQDI-HNNXBMFYSA-N 1 0 402.873 4.383 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000565332139 945813212 /nfs/dbraw/zinc/81/32/12/945813212.db2.gz BLRBNGGBTPRLME-GCJKJVERSA-N 1 0 410.583 4.335 20 30 HIEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000568698079 946666304 /nfs/dbraw/zinc/66/63/04/946666304.db2.gz GEKKPPYLLVAYKY-UHFFFAOYSA-N 1 0 422.964 4.200 20 30 HIEDRO COCc1cccc(OCC2(C[NH+]3CCC(Oc4ccc(C#N)cc4)CC3)CC2)c1 ZINC000568995554 946792426 /nfs/dbraw/zinc/79/24/26/946792426.db2.gz DQLQSAKLYDPMJY-UHFFFAOYSA-N 1 0 406.526 4.407 20 30 HIEDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C#N)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570131290 947111147 /nfs/dbraw/zinc/11/11/47/947111147.db2.gz JGYSADGDRZRWGT-LIRRHRJNSA-N 1 0 404.848 4.304 20 30 HIEDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C#N)c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000570131289 947111207 /nfs/dbraw/zinc/11/12/07/947111207.db2.gz JGYSADGDRZRWGT-KUHUBIRLSA-N 1 0 404.848 4.304 20 30 HIEDRO C[C@@H]1C[C@@H](CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000570220996 947147656 /nfs/dbraw/zinc/14/76/56/947147656.db2.gz YQMIAQNWCICLBG-UYAOXDASSA-N 1 0 407.533 4.392 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 ZINC000570811211 947361159 /nfs/dbraw/zinc/36/11/59/947361159.db2.gz XCDUXOXKXXKSME-OAHLLOKOSA-N 1 0 416.447 4.276 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH+]3CCC(c4noc5cc(F)ccc54)CC3)C2=O)cc1 ZINC000571309944 947588920 /nfs/dbraw/zinc/58/89/20/947588920.db2.gz ICMIHZJTAULDEU-OAQYLSRUSA-N 1 0 418.472 4.214 20 30 HIEDRO C=CCn1c(-c2cccnc2)nnc1N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000571365794 947622877 /nfs/dbraw/zinc/62/28/77/947622877.db2.gz SZTNIOYWCQJZAY-DENIHFKCSA-N 1 0 402.546 4.188 20 30 HIEDRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)c2ccc(C#N)cc2)CC1 ZINC000571458893 947659112 /nfs/dbraw/zinc/65/91/12/947659112.db2.gz STUDLWPDUIEBCV-UHFFFAOYSA-N 1 0 412.331 4.057 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000572412081 947896749 /nfs/dbraw/zinc/89/67/49/947896749.db2.gz QVWUXKLJTBUMAC-HTAPYJJXSA-N 1 0 411.571 4.226 20 30 HIEDRO COc1ccc2c(c1)C1(CC1)CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C2 ZINC000573610541 948248999 /nfs/dbraw/zinc/24/89/99/948248999.db2.gz PQMGGPPBFDUQEH-UHFFFAOYSA-N 1 0 409.917 4.143 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@H+]2CCC3(CC(OCC)C3)C2)cc1OC ZINC000574082461 948361690 /nfs/dbraw/zinc/36/16/90/948361690.db2.gz SBKDCGSEMDQDLX-UHFFFAOYSA-N 1 0 410.352 4.414 20 30 HIEDRO Cc1cc(C#N)cnc1C(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000574386812 948430266 /nfs/dbraw/zinc/43/02/66/948430266.db2.gz GWRQJQXBQFBJIT-HUDNXNEVSA-N 1 0 408.933 4.259 20 30 HIEDRO N#Cc1ccc(CN[C@H](CO)c2ccccc2OC(F)(F)F)c(C(F)(F)F)c1 ZINC000574562689 948476740 /nfs/dbraw/zinc/47/67/40/948476740.db2.gz CKHPBSMYRYWNQM-OAHLLOKOSA-N 1 0 404.310 4.299 20 30 HIEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000575017397 948573668 /nfs/dbraw/zinc/57/36/68/948573668.db2.gz WOEBCVVMXZEFJD-UQBPGWFLSA-N 1 0 411.505 4.382 20 30 HIEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000575017394 948573779 /nfs/dbraw/zinc/57/37/79/948573779.db2.gz WOEBCVVMXZEFJD-CLOONOSVSA-N 1 0 411.505 4.382 20 30 HIEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000575089831 948589909 /nfs/dbraw/zinc/58/99/09/948589909.db2.gz OVWULYFDBUTDDQ-AEFFLSMTSA-N 1 0 422.454 4.482 20 30 HIEDRO CC(C)(CO)[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccs1 ZINC000575977854 948806402 /nfs/dbraw/zinc/80/64/02/948806402.db2.gz XBVUDUPGFSYCQT-IBGZPJMESA-N 1 0 417.600 4.238 20 30 HIEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000006949601 569188455 /nfs/dbraw/zinc/18/84/55/569188455.db2.gz GVEICCSPGYMWGR-URXFXBBRSA-N 1 0 411.505 4.201 20 30 HIEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628833 719089610 /nfs/dbraw/zinc/08/96/10/719089610.db2.gz OXGQIWUYJCALLE-APWZRJJASA-N 1 0 402.876 4.252 20 30 HIEDRO Cc1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(C#N)c(C)c1Cl ZINC001164695680 719886726 /nfs/dbraw/zinc/88/67/26/719886726.db2.gz QRKIVDBUJWFCAR-UHFFFAOYSA-N 1 0 416.978 4.156 20 30 HIEDRO N#Cc1ccc2ccnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c2c1 ZINC001164695706 719890564 /nfs/dbraw/zinc/89/05/64/719890564.db2.gz RVWOJAFAAWSKKO-UHFFFAOYSA-N 1 0 404.539 4.039 20 30 HIEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c(C#N)c(Cl)nc3cccc(C)c31)C2 ZINC001164811697 720207474 /nfs/dbraw/zinc/20/74/74/720207474.db2.gz JSSHASXSVFVSHS-KOSHJBKYSA-N 1 0 424.976 4.253 20 30 HIEDRO Cc1cc(Cl)nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C#N ZINC001164843234 720663734 /nfs/dbraw/zinc/66/37/34/720663734.db2.gz VRZVYZBHAVEXFH-IBGZPJMESA-N 1 0 410.949 4.175 20 30 HIEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CC[NH+](C4CCCC4)CC3)c(Cl)nn2)cc1 ZINC001165033821 721862596 /nfs/dbraw/zinc/86/25/96/721862596.db2.gz ZHHGWTQQGVKCMO-UHFFFAOYSA-N 1 0 417.891 4.278 20 30 HIEDRO CCN(CC(=O)Nc1ccccc1SCC#N)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000435943256 861208635 /nfs/dbraw/zinc/20/86/35/861208635.db2.gz OMDNTIQDOMLQKI-PZJWPPBQSA-N 1 0 422.598 4.398 20 30 HIEDRO COc1cc(C[N@H+](C)[C@@H](CO)c2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC000436256023 861566792 /nfs/dbraw/zinc/56/67/92/861566792.db2.gz ZJADWJLXKXXKSV-QHCPKHFHSA-N 1 0 402.494 4.311 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1cccc([N+](=O)[O-])c1)C(=S)Nc1ccccc1 ZINC000010170345 845626226 /nfs/dbraw/zinc/62/62/26/845626226.db2.gz LCTJHKZJNGHHJZ-UHFFFAOYSA-O 1 0 406.487 4.496 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000436290385 861596040 /nfs/dbraw/zinc/59/60/40/861596040.db2.gz IIJFYXREVMEZRX-SSKFGXFMSA-N 1 0 421.509 4.029 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000436295679 861602941 /nfs/dbraw/zinc/60/29/41/861602941.db2.gz PZUHOHSNSDUJQX-XWGVYQGASA-N 1 0 413.583 4.313 20 30 HIEDRO N#CCSc1ccccc1NC(=O)COC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000016402233 846165909 /nfs/dbraw/zinc/16/59/09/846165909.db2.gz SSVZOZYSTUEBEL-UHFFFAOYSA-N 1 0 423.538 4.084 20 30 HIEDRO CCNC(=S)C(C(=O)c1ccc(OC)cc1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022687112 846603820 /nfs/dbraw/zinc/60/38/20/846603820.db2.gz KZHCLMABIQSVQP-UHFFFAOYSA-O 1 0 405.543 4.122 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1cc(C)c(C)cc1C)C(=S)NC[C@H]1CCCO1 ZINC000022691306 846603956 /nfs/dbraw/zinc/60/39/56/846603956.db2.gz KMEPNTJADQCZAW-HXUWFJFHSA-O 1 0 411.591 4.169 20 30 HIEDRO C=CCNC(=S)C(C(=O)c1ccc(Br)cc1)[n+]1ccc(CC)cc1 ZINC000022687222 846604044 /nfs/dbraw/zinc/60/40/44/846604044.db2.gz MZIHOAJLQKINPC-UHFFFAOYSA-O 1 0 404.353 4.013 20 30 HIEDRO CCOc1ccc(C(=O)C(C(=S)Nc2ccc(OC)cc2)[n+]2ccccc2)cc1 ZINC000022731244 846611140 /nfs/dbraw/zinc/61/11/40/846611140.db2.gz WVMBKDRMSMQFNB-UHFFFAOYSA-O 1 0 407.515 4.432 20 30 HIEDRO CCc1cccc(NC(=S)C(C(=O)c2ccc(C)s2)[n+]2cccc(CO)c2)c1 ZINC000022732384 846611761 /nfs/dbraw/zinc/61/17/61/846611761.db2.gz UCGUYTLPCPGYOQ-UHFFFAOYSA-O 1 0 411.572 4.450 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2cccc(C)c2)[n+]2ccc(N(C)C)cc2)c(C)[nH]1 ZINC000023603603 846726936 /nfs/dbraw/zinc/72/69/36/846726936.db2.gz RJUDVELKLQIYCG-UHFFFAOYSA-O 1 0 407.563 4.344 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccc(C)c(C)c2)[n+]2cccc(CO)c2)c(C)[nH]1 ZINC000023603264 846727319 /nfs/dbraw/zinc/72/73/19/846727319.db2.gz AYEJEEGYFDMNFC-UHFFFAOYSA-O 1 0 408.547 4.079 20 30 HIEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccc(Br)cc2)c(OC)c1 ZINC000025661577 847017018 /nfs/dbraw/zinc/01/70/18/847017018.db2.gz KMCHZBIIABGYCZ-DNVCBOLYSA-N 1 0 420.347 4.277 20 30 HIEDRO N#CCCn1cc(C[NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)c(-c2ccccc2)n1 ZINC000436407879 861756369 /nfs/dbraw/zinc/75/63/69/861756369.db2.gz IXRLIGXVVVMGEL-AZUAARDMSA-N 1 0 406.452 4.037 20 30 HIEDRO CCCCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc(CC)cc1 ZINC000027325661 847283618 /nfs/dbraw/zinc/28/36/18/847283618.db2.gz CIJPSINEKYCGEJ-UHFFFAOYSA-O 1 0 400.568 4.013 20 30 HIEDRO C=CCc1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc(OC)c1OC ZINC000027606900 847326687 /nfs/dbraw/zinc/32/66/87/847326687.db2.gz CAFVLLQBYUOCMT-GOSISDBHSA-N 1 0 400.544 4.061 20 30 HIEDRO Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C#N)cc1N(C)C ZINC000436483459 861819981 /nfs/dbraw/zinc/81/99/81/861819981.db2.gz CHWMHWZOJHXYHV-IBGZPJMESA-N 1 0 405.546 4.061 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(Br)cc3)CC2)cc1 ZINC000043134090 848387380 /nfs/dbraw/zinc/38/73/80/848387380.db2.gz HDODFUXKTRVKES-UHFFFAOYSA-N 1 0 413.319 4.061 20 30 HIEDRO COc1cc(-c2noc(CCCCC[NH2+][C@H](C)c3cccc(C#N)c3)n2)ccc1O ZINC000436723033 861907040 /nfs/dbraw/zinc/90/70/40/861907040.db2.gz PANRUTVHQBCDFS-MRXNPFEDSA-N 1 0 406.486 4.386 20 30 HIEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000045611959 848701805 /nfs/dbraw/zinc/70/18/05/848701805.db2.gz OAJJPMDFMZSXNP-UHFFFAOYSA-N 1 0 415.459 4.021 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3ccccc3[N+](=O)[O-])sc2C1 ZINC000046599331 848882694 /nfs/dbraw/zinc/88/26/94/848882694.db2.gz JRAGPTWIXFTAJM-AWEZNQCLSA-N 1 0 412.515 4.113 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C3CCN(C(=O)c4ccoc4)CC3)c2)c1 ZINC000047701197 849092667 /nfs/dbraw/zinc/09/26/67/849092667.db2.gz RXROBRSMTYOXSW-UHFFFAOYSA-N 1 0 415.493 4.125 20 30 HIEDRO COc1cc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cc(OC)c1OC ZINC000047698221 849093003 /nfs/dbraw/zinc/09/30/03/849093003.db2.gz RPQOURGEAFCAMR-UHFFFAOYSA-N 1 0 418.493 4.453 20 30 HIEDRO CCC[N@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000047726405 849099091 /nfs/dbraw/zinc/09/90/91/849099091.db2.gz OPIMIXLIASWQFU-UHFFFAOYSA-N 1 0 401.457 4.030 20 30 HIEDRO CC1CC[NH+](CCCNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000048125720 849173885 /nfs/dbraw/zinc/17/38/85/849173885.db2.gz YIZLATCLKRTONE-UHFFFAOYSA-N 1 0 419.529 4.054 20 30 HIEDRO N#Cc1ccccc1OCc1ccc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000048298131 849205091 /nfs/dbraw/zinc/20/50/91/849205091.db2.gz DWSFLONKQPJPGB-UHFFFAOYSA-N 1 0 415.493 4.125 20 30 HIEDRO N#Cc1c(NC(=O)CCN2CC[NH+](CC3CCCCC3)CC2)sc2c1CCCC2 ZINC000049982085 849337491 /nfs/dbraw/zinc/33/74/91/849337491.db2.gz XQOSKBSDCFOVBD-UHFFFAOYSA-N 1 0 414.619 4.025 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](c1ccc(F)cc1)C(C)C ZINC000052710382 849616333 /nfs/dbraw/zinc/61/63/33/849616333.db2.gz KZJMECMTPYGFLK-QFIPXVFZSA-N 1 0 414.525 4.078 20 30 HIEDRO COc1ccc2[nH]cc(C3=CC[N@H+](CCC(=O)Nc4cccc(C#N)c4)CC3)c2c1 ZINC000053073760 849661924 /nfs/dbraw/zinc/66/19/24/849661924.db2.gz XBHOJTHRSHZGHN-UHFFFAOYSA-N 1 0 400.482 4.166 20 30 HIEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000053721217 849749733 /nfs/dbraw/zinc/74/97/33/849749733.db2.gz VDKLRAWEJOSEOZ-GOSISDBHSA-N 1 0 407.562 4.359 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)C(=S)NC(C)(C)C ZINC000055014724 849956995 /nfs/dbraw/zinc/95/69/95/849956995.db2.gz UYFVCPQQITUHKX-UHFFFAOYSA-O 1 0 400.568 4.011 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[NH+](CCC(C)(C)C)CC3)sc2C1 ZINC000055933887 850210432 /nfs/dbraw/zinc/21/04/32/850210432.db2.gz PFNCAOXIBNHLHQ-QGZVFWFLSA-N 1 0 416.635 4.127 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000056153336 850258929 /nfs/dbraw/zinc/25/89/29/850258929.db2.gz NQXOSUWNRBWRLN-ZWKOTPCHSA-N 1 0 412.493 4.488 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(OCc2ccccn2)c1 ZINC000056201382 850282509 /nfs/dbraw/zinc/28/25/09/850282509.db2.gz KODSCDYXXDQLQI-MSOLQXFVSA-N 1 0 400.482 4.210 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1ccc2ccccc2c1 ZINC000058967385 850970339 /nfs/dbraw/zinc/97/03/39/850970339.db2.gz JBSWDZDLCQRCNE-UHFFFAOYSA-N 1 0 403.551 4.394 20 30 HIEDRO CC[N@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469561 851109966 /nfs/dbraw/zinc/10/99/66/851109966.db2.gz BDBDUFQGTURPTH-HXUWFJFHSA-N 1 0 405.542 4.149 20 30 HIEDRO CC[N@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477627 851113741 /nfs/dbraw/zinc/11/37/41/851113741.db2.gz YLFBWWLWHPHNQG-MRXNPFEDSA-N 1 0 401.457 4.201 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000060576014 851153178 /nfs/dbraw/zinc/15/31/78/851153178.db2.gz IIBUIOZUZAZOIN-UXHICEINSA-N 1 0 415.459 4.271 20 30 HIEDRO CCC[N@H+](CC(=O)N(C)Cc1ccccc1Br)Cc1ccc(C#N)cc1 ZINC000061001693 851270126 /nfs/dbraw/zinc/27/01/26/851270126.db2.gz AZZJUIFIQMTERZ-UHFFFAOYSA-N 1 0 414.347 4.191 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000061776453 851447805 /nfs/dbraw/zinc/44/78/05/851447805.db2.gz CWRDRMBQXJXLRQ-UHFFFAOYSA-N 1 0 412.559 4.441 20 30 HIEDRO CC[C@H](C)Oc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000063164590 851626377 /nfs/dbraw/zinc/62/63/77/851626377.db2.gz XZNWQYGLEYVGEV-IBGZPJMESA-N 1 0 406.530 4.475 20 30 HIEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cccc(N2CCCC2=O)c1 ZINC000437075061 862271178 /nfs/dbraw/zinc/27/11/78/862271178.db2.gz IJKCOJJVDYHEDG-FEPNQTLGSA-N 1 0 404.514 4.121 20 30 HIEDRO COc1cccc(C[C@@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000063549460 851713195 /nfs/dbraw/zinc/71/31/95/851713195.db2.gz SZXAOWDNWMZVQI-KRWDZBQOSA-N 1 0 409.555 4.153 20 30 HIEDRO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437103704 862292230 /nfs/dbraw/zinc/29/22/30/862292230.db2.gz BAQQZQKUOQUTNE-DLQXEOFGSA-N 1 0 404.558 4.143 20 30 HIEDRO COc1ccc(C[NH2+]Cc2ccc(N3CCC(C)CC3)nc2)cc1OCCCC#N ZINC000064614095 851940817 /nfs/dbraw/zinc/94/08/17/851940817.db2.gz WKYPGJMXJYLJBV-UHFFFAOYSA-N 1 0 408.546 4.299 20 30 HIEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000065519957 852165417 /nfs/dbraw/zinc/16/54/17/852165417.db2.gz YREVHNAJVRKZDE-OAQYLSRUSA-N 1 0 406.530 4.183 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc(Br)ccc3F)CC2)cc1 ZINC000065532584 852169187 /nfs/dbraw/zinc/16/91/87/852169187.db2.gz XKWIWYRXVYSBBH-UHFFFAOYSA-N 1 0 402.311 4.168 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(OCc2cccs2)c1 ZINC000065930530 852320208 /nfs/dbraw/zinc/32/02/08/852320208.db2.gz VNXWBGFSIKSFCD-UHFFFAOYSA-N 1 0 419.550 4.403 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000065930705 852320496 /nfs/dbraw/zinc/32/04/96/852320496.db2.gz SWHZFYOGKRXBAX-UHFFFAOYSA-N 1 0 421.472 4.073 20 30 HIEDRO CCCCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1cccc(C)c1 ZINC000067952248 852366250 /nfs/dbraw/zinc/36/62/50/852366250.db2.gz OMEMAOXGMKXISM-UHFFFAOYSA-O 1 0 400.568 4.013 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000097327569 852602344 /nfs/dbraw/zinc/60/23/44/852602344.db2.gz PLCUGIVAXJWORQ-RTWAWAEBSA-N 1 0 415.459 4.271 20 30 HIEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000097357288 852604682 /nfs/dbraw/zinc/60/46/82/852604682.db2.gz CJFAHPCPSUCWTJ-LJQANCHMSA-N 1 0 419.447 4.176 20 30 HIEDRO Cc1cc(C)c(NC(=O)[C@@H](C)ON=C(N)c2ccccc2C[NH+]2CCCCC2)c(C)c1 ZINC000097571491 852633309 /nfs/dbraw/zinc/63/33/09/852633309.db2.gz OPNNCYGMDNZHGE-HXUWFJFHSA-N 1 0 422.573 4.262 20 30 HIEDRO CC(C)c1ccc(NC(=O)CON=C(N)c2ccccc2C[NH+]2CCCCC2)cc1 ZINC000110450963 853101449 /nfs/dbraw/zinc/10/14/49/853101449.db2.gz RPBXBHRQOHWENS-UHFFFAOYSA-N 1 0 408.546 4.072 20 30 HIEDRO COc1ccc2[nH]cc(C3=CC[N@H+](CCC(=O)Nc4ccccc4C#N)CC3)c2c1 ZINC000110982130 853178755 /nfs/dbraw/zinc/17/87/55/853178755.db2.gz UFJLKEYZGSQFBP-UHFFFAOYSA-N 1 0 400.482 4.166 20 30 HIEDRO CC(C)[N@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000111046271 853193224 /nfs/dbraw/zinc/19/32/24/853193224.db2.gz IRBXLSXIYOKKCX-JOCHJYFZSA-N 1 0 404.539 4.131 20 30 HIEDRO CCC[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000112523616 853231372 /nfs/dbraw/zinc/23/13/72/853231372.db2.gz NKEMAUBRTYWASP-HSZRJFAPSA-N 1 0 404.558 4.263 20 30 HIEDRO CCc1cccc(C)c1NC(=O)CON=C(N)c1ccc(OCc2ccccc2)cc1 ZINC000138969142 853400836 /nfs/dbraw/zinc/40/08/36/853400836.db2.gz SLWUAFPGXRCVBS-UHFFFAOYSA-N 1 0 417.509 4.412 20 30 HIEDRO CN(C)C(=O)C[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1 ZINC000140572080 853447141 /nfs/dbraw/zinc/44/71/41/853447141.db2.gz ZZIAQWQTQHDFFI-RUZDIDTESA-N 1 0 413.521 4.446 20 30 HIEDRO CCc1c(C(=O)C(C(=S)N[C@@H](C)CC)[n+]2cccc(C)c2)[nH]c(C)c1C(C)=O ZINC000154473944 853644102 /nfs/dbraw/zinc/64/41/02/853644102.db2.gz GOIWHKNMDUUMGH-AWEZNQCLSA-O 1 0 400.568 4.011 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=S)N[C@@H](C)CC ZINC000194974011 853668965 /nfs/dbraw/zinc/66/89/65/853668965.db2.gz SGTPRYCBVXWRAG-HNNXBMFYSA-O 1 0 400.524 4.080 20 30 HIEDRO N#Cc1cc(F)ccc1CN1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000216813410 853858830 /nfs/dbraw/zinc/85/88/30/853858830.db2.gz DHYHFUFOPZHCSJ-UHFFFAOYSA-N 1 0 416.294 4.311 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@](C)(CO)c2ccccc2)cc1OCC ZINC000237028828 853953453 /nfs/dbraw/zinc/95/34/53/853953453.db2.gz VCCSTZABMZRAEZ-OAQYLSRUSA-N 1 0 420.347 4.410 20 30 HIEDRO CCOc1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)ccc1OCC(C)C ZINC000237081272 853962261 /nfs/dbraw/zinc/96/22/61/853962261.db2.gz GLGZITSDCOSJKL-UHFFFAOYSA-N 1 0 408.546 4.145 20 30 HIEDRO COc1ccc(C[NH2+]Cc2cccc(C#N)c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237238320 853989020 /nfs/dbraw/zinc/98/90/20/853989020.db2.gz UJEGRXJHYWMNGA-UHFFFAOYSA-N 1 0 403.438 4.344 20 30 HIEDRO C=CCOc1ccc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)cc1OC ZINC000237430770 854031321 /nfs/dbraw/zinc/03/13/21/854031321.db2.gz KCBWAKIRNXCJLT-OAQYLSRUSA-N 1 0 416.949 4.077 20 30 HIEDRO COc1cccc(N2CCC[C@H]([NH2+]Cc3ccc(OC)c(OCCCC#N)c3)C2)c1 ZINC000237458396 854037217 /nfs/dbraw/zinc/03/72/17/854037217.db2.gz SVQJWRIRJVOZMX-FQEVSTJZSA-N 1 0 409.530 4.145 20 30 HIEDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000237577549 854056971 /nfs/dbraw/zinc/05/69/71/854056971.db2.gz CCLOPCFIFFUACX-HXUWFJFHSA-N 1 0 419.573 4.144 20 30 HIEDRO N#Cc1ccc2ncc(C[NH2+]CC3(c4ccc(Cl)cc4Cl)CCOCC3)n2c1 ZINC000237675498 854073405 /nfs/dbraw/zinc/07/34/05/854073405.db2.gz NJQLRSVNNQQYBG-UHFFFAOYSA-N 1 0 415.324 4.351 20 30 HIEDRO C#CCOc1ccc(C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000237694991 854077092 /nfs/dbraw/zinc/07/70/92/854077092.db2.gz JGLZNOVMPFWRRB-NRFANRHFSA-N 1 0 416.443 4.171 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)c1 ZINC000237784997 854097339 /nfs/dbraw/zinc/09/73/39/854097339.db2.gz JWUKUMUPJINEBV-HSZRJFAPSA-N 1 0 413.949 4.186 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)c(-c2ccccc2)n1 ZINC000237821652 854104599 /nfs/dbraw/zinc/10/45/99/854104599.db2.gz VTSLKWUGGSZZPI-UHFFFAOYSA-N 1 0 408.889 4.178 20 30 HIEDRO N#Cc1ccc2ncc(C[NH2+]Cc3cn(-c4ccccc4)nc3-c3ccccc3)n2c1 ZINC000237857090 854109663 /nfs/dbraw/zinc/10/96/63/854109663.db2.gz MGKGOQKXLQOGDV-UHFFFAOYSA-N 1 0 404.477 4.348 20 30 HIEDRO N#CCCn1cc(C[NH2+]C[C@H](O)c2cccc(C(F)(F)F)c2)c(-c2ccccc2)n1 ZINC000238057306 854139069 /nfs/dbraw/zinc/13/90/69/854139069.db2.gz BZDULFPNJLIIHO-FQEVSTJZSA-N 1 0 414.431 4.306 20 30 HIEDRO CCCc1cc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)N[C@@H](C)CC)cc1 ZINC000299619654 854280761 /nfs/dbraw/zinc/28/07/61/854280761.db2.gz QFNKOQAXXCODJQ-HNNXBMFYSA-O 1 0 400.524 4.162 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)CC2)cc1 ZINC000301894112 854487131 /nfs/dbraw/zinc/48/71/31/854487131.db2.gz WTDVZTKCGJZLLH-UHFFFAOYSA-N 1 0 413.481 4.241 20 30 HIEDRO Cc1cc(N2CCN(c3c(C#N)cnc4ccccc43)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302172789 854542171 /nfs/dbraw/zinc/54/21/71/854542171.db2.gz MHZCKWRARPZDFM-UHFFFAOYSA-N 1 0 424.464 4.198 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c32)CC1 ZINC000303254845 854837697 /nfs/dbraw/zinc/83/76/97/854837697.db2.gz GOJOWNGTSBEMMC-UHFFFAOYSA-N 1 0 410.543 4.257 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Cc2c(C)nn(-c3ccc(Cl)c(Cl)c3)c2C)CC1 ZINC000303313826 854867842 /nfs/dbraw/zinc/86/78/42/854867842.db2.gz SWLMZSDPLXBVOA-UHFFFAOYSA-N 1 0 421.372 4.105 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000303502846 854991841 /nfs/dbraw/zinc/99/18/41/854991841.db2.gz VIEACYBVDNTPNW-WOJBJXKFSA-N 1 0 422.598 4.226 20 30 HIEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303625271 855085032 /nfs/dbraw/zinc/08/50/32/855085032.db2.gz NTOWQVCKNCZNHY-SFTDATJTSA-N 1 0 414.569 4.049 20 30 HIEDRO COc1ccccc1[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)N1CCCC1 ZINC000303787042 855197945 /nfs/dbraw/zinc/19/79/45/855197945.db2.gz SAKCQQOPACFKSX-SFHVURJKSA-N 1 0 422.451 4.158 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCC[C@H]3Cc3ccccc3)CC2)cc1 ZINC000303863067 855257918 /nfs/dbraw/zinc/25/79/18/855257918.db2.gz WUFQODYRZYZNDP-LOSJGSFVSA-N 1 0 416.569 4.187 20 30 HIEDRO COc1cccc(OC)c1Oc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)CCC3)cn1 ZINC000303893043 855273895 /nfs/dbraw/zinc/27/38/95/855273895.db2.gz OBRIAZGQLPOQNG-UHFFFAOYSA-N 1 0 418.497 4.307 20 30 HIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000303898337 855276400 /nfs/dbraw/zinc/27/64/00/855276400.db2.gz VMGONUDREBQORV-GBESFXJTSA-N 1 0 422.573 4.376 20 30 HIEDRO [NH2+]=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303898441 855276414 /nfs/dbraw/zinc/27/64/14/855276414.db2.gz VNIHMZLIPCDMMR-UHFFFAOYSA-N 1 0 410.465 4.065 20 30 HIEDRO Cc1ccccc1C1(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CCOCC1 ZINC000303898275 855276426 /nfs/dbraw/zinc/27/64/26/855276426.db2.gz VLMBYTGTXRTENH-UHFFFAOYSA-N 1 0 407.436 4.369 20 30 HIEDRO Cc1cc(C)n(-c2ccc(CNC(=[NH2+])N[C@@H](C)c3ccc(Cl)cc3Cl)cn2)n1 ZINC000303907549 855281300 /nfs/dbraw/zinc/28/13/00/855281300.db2.gz WXGTYINYUUATFR-AWEZNQCLSA-N 1 0 417.344 4.356 20 30 HIEDRO COc1ccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1Br ZINC000303968041 855328907 /nfs/dbraw/zinc/32/89/07/855328907.db2.gz ADLYHWWDHLRUDW-UHFFFAOYSA-N 1 0 418.213 4.283 20 30 HIEDRO [NH2+]=C(NCc1ccnc(Oc2ccc(F)cc2)c1)Nc1ccc2c(c1)OCCCO2 ZINC000303973434 855331598 /nfs/dbraw/zinc/33/15/98/855331598.db2.gz GWCVSWHDQWXWKU-UHFFFAOYSA-N 1 0 408.433 4.101 20 30 HIEDRO COc1ccc(OC)c(NC(=[NH2+])NCC(C)(C)c2cccc(Br)c2)c1 ZINC000303974612 855331614 /nfs/dbraw/zinc/33/16/14/855331614.db2.gz ICEAKFDSYKTLNK-UHFFFAOYSA-N 1 0 406.324 4.171 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(OC)c(Br)c2)c1 ZINC000303974240 855331754 /nfs/dbraw/zinc/33/17/54/855331754.db2.gz HTWOERKBFTUWEW-UHFFFAOYSA-N 1 0 422.323 4.182 20 30 HIEDRO C=CCc1cc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc(OC)c1OC ZINC000303984513 855335538 /nfs/dbraw/zinc/33/55/38/855335538.db2.gz SCDKSQSZVSEQNV-UHFFFAOYSA-N 1 0 409.408 4.258 20 30 HIEDRO [NH2+]=C(NCc1ccccc1CN1CCOCC1)Nc1cccc(Oc2ccccc2)c1 ZINC000304465064 855355594 /nfs/dbraw/zinc/35/55/94/855355594.db2.gz AWWJLRWTPAHLPU-UHFFFAOYSA-N 1 0 416.525 4.238 20 30 HIEDRO [NH2+]=C(NCCCS(=O)(=O)c1ccccc1)Nc1cccc(Oc2ccccc2)c1 ZINC000304467943 855355849 /nfs/dbraw/zinc/35/58/49/855355849.db2.gz CFKIEYZSYQPVCU-UHFFFAOYSA-N 1 0 409.511 4.070 20 30 HIEDRO [NH2+]=C(NCc1cccc(NC(=O)C2CCCCC2)c1)N[C@@H]1CCOc2ccccc21 ZINC000304512331 855356052 /nfs/dbraw/zinc/35/60/52/855356052.db2.gz UCBYYJKUTDLJDY-OAQYLSRUSA-N 1 0 406.530 4.134 20 30 HIEDRO [NH2+]=C(NCc1cccc(CN2CCOCC2)c1)Nc1cccc(Oc2ccccc2)c1 ZINC000304476721 855356725 /nfs/dbraw/zinc/35/67/25/855356725.db2.gz HRFRTDNJFVWXAB-UHFFFAOYSA-N 1 0 416.525 4.238 20 30 HIEDRO C[C@H](NC(=[NH2+])NCCCC(=O)N1Cc2ccccc2C1)c1ccc(Cl)cc1Cl ZINC000304755404 855357758 /nfs/dbraw/zinc/35/77/58/855357758.db2.gz MSFSVVUIBJUPGP-AWEZNQCLSA-N 1 0 419.356 4.281 20 30 HIEDRO COc1cccc([C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)N2CCCC2)c1 ZINC000305236285 855359610 /nfs/dbraw/zinc/35/96/10/855359610.db2.gz NTSMSHADSDWBEA-GOSISDBHSA-N 1 0 422.451 4.158 20 30 HIEDRO CC(C)NC(=O)Nc1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1 ZINC000305239292 855360333 /nfs/dbraw/zinc/36/03/33/855360333.db2.gz PSTBUVWPJPKHGR-UHFFFAOYSA-N 1 0 409.412 4.042 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000409459128 855489100 /nfs/dbraw/zinc/48/91/00/855489100.db2.gz NNKIJGFDRKAVJC-UHFFFAOYSA-N 1 0 412.347 4.159 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 ZINC000426575284 856355415 /nfs/dbraw/zinc/35/54/15/856355415.db2.gz AWHCWXOJAOSDST-UHFFFAOYSA-N 1 0 408.506 4.030 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)C(=O)c1cc(F)ccc1F ZINC000427125195 856653664 /nfs/dbraw/zinc/65/36/64/856653664.db2.gz ADMCIBRHRLHLLZ-OAHLLOKOSA-N 1 0 420.529 4.134 20 30 HIEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427241363 856731682 /nfs/dbraw/zinc/73/16/82/856731682.db2.gz ITBGCNMGKVXTPM-IBGZPJMESA-N 1 0 421.520 4.065 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccccc1 ZINC000428318566 857151214 /nfs/dbraw/zinc/15/12/14/857151214.db2.gz BMSBTWQJJGVDTM-QHCPKHFHSA-N 1 0 415.541 4.277 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)cs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000437546144 862878163 /nfs/dbraw/zinc/87/81/63/862878163.db2.gz FOMSQOMVTDUXQI-YJBOKZPZSA-N 1 0 407.461 4.451 20 30 HIEDRO CC1CC[NH+](C2CCC(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)CC2)CC1 ZINC000428528925 857242174 /nfs/dbraw/zinc/24/21/74/857242174.db2.gz RUCLGAJAEPCBAY-UHFFFAOYSA-N 1 0 419.573 4.237 20 30 HIEDRO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428794958 857343983 /nfs/dbraw/zinc/34/39/83/857343983.db2.gz PCZZAQBTTNQTLX-JPYJTQIMSA-N 1 0 412.493 4.420 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1OCCc2sccc21 ZINC000429166842 857538703 /nfs/dbraw/zinc/53/87/03/857538703.db2.gz JZWOPTFBEHDHPM-RNODOKPDSA-N 1 0 415.584 4.181 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3ncccc3Cl)CC1)CCC2 ZINC000429213871 857557207 /nfs/dbraw/zinc/55/72/07/857557207.db2.gz DTDQBGCXWWJMCZ-UHFFFAOYSA-N 1 0 414.962 4.365 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429289012 857591828 /nfs/dbraw/zinc/59/18/28/857591828.db2.gz BONBYUGAUIJKQV-ZLXGRDSLSA-N 1 0 406.368 4.105 20 30 HIEDRO CCc1ccc([C@H](CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)[NH+](C)C)cc1 ZINC000429717449 857848444 /nfs/dbraw/zinc/84/84/44/857848444.db2.gz CDDXDZLOFIHKIT-QHCPKHFHSA-N 1 0 415.541 4.059 20 30 HIEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000437636795 862964342 /nfs/dbraw/zinc/96/43/42/862964342.db2.gz OZBZZNUSLHZXDV-ISKFKSNPSA-N 1 0 407.558 4.196 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000437636801 862965671 /nfs/dbraw/zinc/96/56/71/862965671.db2.gz OZBZZNUSLHZXDV-UPVQGACJSA-N 1 0 407.558 4.196 20 30 HIEDRO CCOc1c(Br)cc(C[NH2+]CC2(CC#N)CC2)cc1Br ZINC000430034652 858004624 /nfs/dbraw/zinc/00/46/24/858004624.db2.gz KQQQCRJWNQKQMW-UHFFFAOYSA-N 1 0 402.130 4.394 20 30 HIEDRO N#CCCn1ncc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1-c1ccccc1 ZINC000430073087 858020158 /nfs/dbraw/zinc/02/01/58/858020158.db2.gz WROADVJZJUPDQY-OAQYLSRUSA-N 1 0 419.573 4.192 20 30 HIEDRO C=CCn1c(SC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)nnc1-c1ccoc1C ZINC000430124060 858042304 /nfs/dbraw/zinc/04/23/04/858042304.db2.gz RMKUQFWULPOSAG-FQEVSTJZSA-N 1 0 424.570 4.416 20 30 HIEDRO C=CCOc1ccc(C[N@@H+](Cc2cncs2)C2CCN(C(C)=O)CC2)cc1Cl ZINC000430194268 858076704 /nfs/dbraw/zinc/07/67/04/858076704.db2.gz ISDBDFHOGLRBOI-UHFFFAOYSA-N 1 0 419.978 4.374 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C#N ZINC000430742170 858283615 /nfs/dbraw/zinc/28/36/15/858283615.db2.gz OCJLQANLMLOZPB-QFBILLFUSA-N 1 0 420.582 4.335 20 30 HIEDRO CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000430828539 858319768 /nfs/dbraw/zinc/31/97/68/858319768.db2.gz BOGFWXHLIVZWDV-IFMALSPDSA-N 1 0 406.530 4.376 20 30 HIEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1Cl ZINC000437732547 863061565 /nfs/dbraw/zinc/06/15/65/863061565.db2.gz MSGHVMXBWCAAQM-TZIWHRDSSA-N 1 0 406.917 4.473 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(C(F)(F)F)ccc2Br)CC1 ZINC000431919416 858870356 /nfs/dbraw/zinc/87/03/56/858870356.db2.gz QABOXSXXVISFMR-UHFFFAOYSA-N 1 0 405.258 4.238 20 30 HIEDRO Cc1c(C#N)cccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000432275102 859079249 /nfs/dbraw/zinc/07/92/49/859079249.db2.gz ALJGBPDPWNXQAM-GOSISDBHSA-N 1 0 402.420 4.282 20 30 HIEDRO COc1cc(OC)c(NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1Cl ZINC000433013684 859478467 /nfs/dbraw/zinc/47/84/67/859478467.db2.gz OXEJHSYALFZZJI-KRWDZBQOSA-N 1 0 401.894 4.320 20 30 HIEDRO N#CCCC[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000433031169 859489524 /nfs/dbraw/zinc/48/95/24/859489524.db2.gz YGKGASDLZYZBNF-AZUAARDMSA-N 1 0 421.310 4.353 20 30 HIEDRO N#CCCC[C@@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000433034278 859492180 /nfs/dbraw/zinc/49/21/80/859492180.db2.gz XWCPZBYABJIYNY-IFMALSPDSA-N 1 0 404.539 4.373 20 30 HIEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@H](Cc4ccc(Br)cc4)C3)o2)c1 ZINC000433304900 859627776 /nfs/dbraw/zinc/62/77/76/859627776.db2.gz OJKACNHARUUFBM-QGZVFWFLSA-N 1 0 423.314 4.435 20 30 HIEDRO Cc1ccc([C@@H]2OCCC[C@H]2C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000433315985 859634262 /nfs/dbraw/zinc/63/42/62/859634262.db2.gz ZZUYKJMALMOOIP-DHLKQENFSA-N 1 0 415.541 4.425 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccccc2N2CCCCC2)c(-c2ccncc2)n1 ZINC000433319018 859637272 /nfs/dbraw/zinc/63/72/72/859637272.db2.gz HVCKBZXMLJPRBX-UHFFFAOYSA-N 1 0 400.530 4.139 20 30 HIEDRO COc1ccccc1C1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCCC1 ZINC000433344633 859655686 /nfs/dbraw/zinc/65/56/86/859655686.db2.gz SQCMYYXNHAJTNM-UHFFFAOYSA-N 1 0 415.541 4.469 20 30 HIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433462885 859713641 /nfs/dbraw/zinc/71/36/41/859713641.db2.gz MMKWFLAPBRAWRO-IBGZPJMESA-N 1 0 422.529 4.281 20 30 HIEDRO C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000433875577 859946673 /nfs/dbraw/zinc/94/66/73/859946673.db2.gz TYODEEVWNYHAKX-SFHVURJKSA-N 1 0 419.550 4.326 20 30 HIEDRO C[C@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000467690247 881483859 /nfs/dbraw/zinc/48/38/59/881483859.db2.gz COCQLABXQKSCOL-PGRDOPGGSA-N 1 0 412.493 4.138 20 30 HIEDRO C[C@@H]1C[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000467697277 881492297 /nfs/dbraw/zinc/49/22/97/881492297.db2.gz RMQXIDAJCDZPIM-GCJKJVERSA-N 1 0 415.493 4.123 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCC([NH+](C)C)CC3)sc2C1 ZINC000434672821 860453690 /nfs/dbraw/zinc/45/36/90/860453690.db2.gz AQEGCIFHPMQWTA-MRXNPFEDSA-N 1 0 416.635 4.125 20 30 HIEDRO C[C@H]1C[NH+](CCCCNC(=O)c2ccccc2Sc2ccccc2C#N)C[C@H](C)O1 ZINC000434773058 860489969 /nfs/dbraw/zinc/48/99/69/860489969.db2.gz FINHMLOJJRPTGJ-OALUTQOASA-N 1 0 423.582 4.329 20 30 HIEDRO COC(=O)[C@H](NCc1ccccc1C[N@H+](C)C1CCCCC1)c1cccc(C#N)c1 ZINC000434856595 860525524 /nfs/dbraw/zinc/52/55/24/860525524.db2.gz CUZUQKZRLJKLQA-XMMPIXPASA-N 1 0 405.542 4.327 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@@H]2C)c1C#N ZINC000434897208 860542152 /nfs/dbraw/zinc/54/21/52/860542152.db2.gz UYLXEHLBWYVGIG-UGKGYDQZSA-N 1 0 416.525 4.434 20 30 HIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434980321 860583822 /nfs/dbraw/zinc/58/38/22/860583822.db2.gz CVWCIVDDCSTFTA-AOMKIAJQSA-N 1 0 409.921 4.378 20 30 HIEDRO CC1CCC([N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]2CCCO2)CC1 ZINC000435128050 860653808 /nfs/dbraw/zinc/65/38/08/860653808.db2.gz BETDLNFUDPLSJX-HXJXPZHGSA-N 1 0 407.562 4.418 20 30 HIEDRO N#CCCn1cc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)c(-c2ccncc2)n1 ZINC000435129983 860654563 /nfs/dbraw/zinc/65/45/63/860654563.db2.gz PABHHYVPMRHWKQ-UHFFFAOYSA-N 1 0 415.541 4.288 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(Oc3ccc(F)cc3)CC2)c(-c2ccncc2)n1 ZINC000435138185 860660172 /nfs/dbraw/zinc/66/01/72/860660172.db2.gz PZGKYNBRKRNSQN-UHFFFAOYSA-N 1 0 405.477 4.041 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC000435180470 860681843 /nfs/dbraw/zinc/68/18/43/860681843.db2.gz GSJOHNBYWLBIOV-AWEZNQCLSA-N 1 0 416.513 4.091 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000435737325 861019085 /nfs/dbraw/zinc/01/90/85/861019085.db2.gz HBZWZZNVZUYZGM-CVDCTZTESA-N 1 0 412.486 4.253 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCO[C@@H]2C(=C)C)cc1OCC ZINC000435742552 861024368 /nfs/dbraw/zinc/02/43/68/861024368.db2.gz NYGWIGCBMMCONZ-VQIMIIECSA-N 1 0 410.352 4.483 20 30 HIEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000437883301 863247224 /nfs/dbraw/zinc/24/72/24/863247224.db2.gz MVUHGDUNSNPGQN-QFIPXVFZSA-N 1 0 419.529 4.149 20 30 HIEDRO C[C@@H]1C[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC[N@@H+]1C ZINC000437960105 863332159 /nfs/dbraw/zinc/33/21/59/863332159.db2.gz HWQOEKMRZLIQRY-DNVCBOLYSA-N 1 0 412.921 4.395 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000438208114 863641678 /nfs/dbraw/zinc/64/16/78/863641678.db2.gz AUFNFOWOZKLPCM-APWZRJJASA-N 1 0 408.502 4.306 20 30 HIEDRO Cn1cc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c(-c2ccccc2Cl)n1 ZINC000438468727 863889486 /nfs/dbraw/zinc/88/94/86/863889486.db2.gz KOHFNECYRYAGRQ-UHFFFAOYSA-N 1 0 421.932 4.487 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000438667270 864125310 /nfs/dbraw/zinc/12/53/10/864125310.db2.gz BJUSZVKGPRFAEO-UHFFFAOYSA-N 1 0 406.530 4.474 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Oc2ccccn2)c1 ZINC000438671362 864132405 /nfs/dbraw/zinc/13/24/05/864132405.db2.gz YROJRWIEJDLPDT-UHFFFAOYSA-N 1 0 415.497 4.341 20 30 HIEDRO N#CCC[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccccc1 ZINC000438835209 864329343 /nfs/dbraw/zinc/32/93/43/864329343.db2.gz BROYPXZFRIQJPZ-HXUWFJFHSA-N 1 0 400.592 4.082 20 30 HIEDRO COc1cccc(C2(C[NH2+][C@@H](C)C(=O)N(CCC#N)c3ccccc3)CCCC2)c1 ZINC000439608329 864930562 /nfs/dbraw/zinc/93/05/62/864930562.db2.gz YSUPFOYNTJXNQX-FQEVSTJZSA-N 1 0 405.542 4.432 20 30 HIEDRO CCCc1c(NC(=O)NCCC[NH+](C(C)C)C(C)C)cnn1-c1cccc(C#N)c1 ZINC000439681522 865015579 /nfs/dbraw/zinc/01/55/79/865015579.db2.gz AXBSPBBKUIAXBL-UHFFFAOYSA-N 1 0 410.566 4.327 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000440180927 865406147 /nfs/dbraw/zinc/40/61/47/865406147.db2.gz ASHPLOCKPBAECT-LJQANCHMSA-N 1 0 408.546 4.013 20 30 HIEDRO CSc1ccccc1[C@H](C)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000440612475 865838366 /nfs/dbraw/zinc/83/83/66/865838366.db2.gz CAOURAKGMLVQCU-HNNXBMFYSA-N 1 0 406.473 4.246 20 30 HIEDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000440657914 865858704 /nfs/dbraw/zinc/85/87/04/865858704.db2.gz GQXYVLRMSYCUQW-QFIPXVFZSA-N 1 0 411.477 4.221 20 30 HIEDRO COc1cc(C[NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)ccc1C#N ZINC000440811432 865929633 /nfs/dbraw/zinc/92/96/33/865929633.db2.gz YCTMTIZWLIHSGN-UHFFFAOYSA-N 1 0 404.432 4.424 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCc3ccc(F)cc3C2)c1C#N ZINC000441006453 866077554 /nfs/dbraw/zinc/07/75/54/866077554.db2.gz BVKPQJGMNWXLAK-UHFFFAOYSA-N 1 0 420.488 4.144 20 30 HIEDRO N#Cc1cc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC(F)(F)F ZINC000442058935 867091038 /nfs/dbraw/zinc/09/10/38/867091038.db2.gz YGEFADQAZJQSQS-INIZCTEOSA-N 1 0 418.419 4.100 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(-c3ccc(CCC)cc3)cc2)CC1 ZINC000442303536 867315499 /nfs/dbraw/zinc/31/54/99/867315499.db2.gz XFJSRBUFNALWRJ-UHFFFAOYSA-N 1 0 405.542 4.011 20 30 HIEDRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CC2CCC(C#N)CC2)c2ccc(F)c(F)c2)c1 ZINC000442848652 867696835 /nfs/dbraw/zinc/69/68/35/867696835.db2.gz AVBKZLFFMLNKTF-WTOQYCPUSA-N 1 0 418.509 4.377 20 30 HIEDRO COc1cc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)ccc1C#N ZINC000443066475 867808210 /nfs/dbraw/zinc/80/82/10/867808210.db2.gz JVFFYPIGISVNTB-HYBUGGRVSA-N 1 0 400.482 4.171 20 30 HIEDRO CC1CC[NH+]([C@@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)c2cccs2)CC1 ZINC000468244679 882146583 /nfs/dbraw/zinc/14/65/83/882146583.db2.gz CQZNMWNEMWYAFK-FQEVSTJZSA-N 1 0 420.538 4.478 20 30 HIEDRO CC[NH+](CC)CCN(CCC(F)(F)F)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000443500715 868071832 /nfs/dbraw/zinc/07/18/32/868071832.db2.gz NOWZULPAEVWJGT-UHFFFAOYSA-N 1 0 409.412 4.115 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000444169923 868647333 /nfs/dbraw/zinc/64/73/33/868647333.db2.gz LYVLRUBAGUSRBL-DLBZAZTESA-N 1 0 402.608 4.022 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000444204397 868664795 /nfs/dbraw/zinc/66/47/95/868664795.db2.gz IGHBZLJKJLWLCN-HKUYNNGSSA-N 1 0 401.576 4.443 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1C#N ZINC000444629316 868920072 /nfs/dbraw/zinc/92/00/72/868920072.db2.gz COBCEOQYJDCHCA-LJQANCHMSA-N 1 0 400.567 4.356 20 30 HIEDRO N#CC(CC[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1)(c1ccccc1)c1ccccc1 ZINC000444640049 868925195 /nfs/dbraw/zinc/92/51/95/868925195.db2.gz MUOAIDUICDKMSW-JOCHJYFZSA-N 1 0 401.554 4.221 20 30 HIEDRO Cc1c([C@H]2OCC[C@@H]2[NH2+]CCC(C#N)(c2ccccc2)c2ccccc2)cnn1C ZINC000444685979 868958062 /nfs/dbraw/zinc/95/80/62/868958062.db2.gz QOCJDTSGZGSQHN-BJKOFHAPSA-N 1 0 400.526 4.048 20 30 HIEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1cccc(OCc2ccccc2)c1 ZINC000444694040 868961215 /nfs/dbraw/zinc/96/12/15/868961215.db2.gz PQNJSGGBQGJRDP-CVDCTZTESA-N 1 0 402.494 4.228 20 30 HIEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(OCc2ccccc2)c1 ZINC000444725825 868978663 /nfs/dbraw/zinc/97/86/63/868978663.db2.gz OBEUSFASGSOGGO-LJQANCHMSA-N 1 0 420.534 4.262 20 30 HIEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1 ZINC000445996151 869959890 /nfs/dbraw/zinc/95/98/90/869959890.db2.gz WNIHIMXMHPUGMW-ICSRJNTNSA-N 1 0 401.432 4.119 20 30 HIEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000445997135 869961020 /nfs/dbraw/zinc/96/10/20/869961020.db2.gz UZMRAZKJBOBWIC-UXHICEINSA-N 1 0 422.472 4.277 20 30 HIEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000445997136 869961175 /nfs/dbraw/zinc/96/11/75/869961175.db2.gz UZMRAZKJBOBWIC-VQTJNVASSA-N 1 0 422.472 4.277 20 30 HIEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000446004926 869968994 /nfs/dbraw/zinc/96/89/94/869968994.db2.gz XCTWHHWTODJGRM-VQTJNVASSA-N 1 0 401.432 4.119 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(-c2ccco2)cc1F ZINC000448249648 872167385 /nfs/dbraw/zinc/16/73/85/872167385.db2.gz PESNZBRTFCWRTD-UHFFFAOYSA-N 1 0 420.488 4.231 20 30 HIEDRO Cn1ccnc1CC1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000448261409 872184763 /nfs/dbraw/zinc/18/47/63/872184763.db2.gz PPWNRWRSUIMEKQ-UHFFFAOYSA-N 1 0 400.482 4.179 20 30 HIEDRO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](Nc4cccc(Br)c4)C3)n2c1 ZINC000448359947 872308727 /nfs/dbraw/zinc/30/87/27/872308727.db2.gz QGLJRJWLTLORDK-SFHVURJKSA-N 1 0 410.319 4.045 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460374513 873012589 /nfs/dbraw/zinc/01/25/89/873012589.db2.gz IFJVAYMLEQADBI-SFHVURJKSA-N 1 0 415.557 4.444 20 30 HIEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460379385 873017864 /nfs/dbraw/zinc/01/78/64/873017864.db2.gz HNSCHKFOZIDTLK-ICSRJNTNSA-N 1 0 406.578 4.235 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460567797 873299116 /nfs/dbraw/zinc/29/91/16/873299116.db2.gz PTGLMQZTAILOAX-GOTSBHOMSA-N 1 0 423.605 4.410 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460773070 873621517 /nfs/dbraw/zinc/62/15/17/873621517.db2.gz JEXKCICTFDIRFR-LGKPFJOYSA-N 1 0 421.589 4.162 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460781276 873636156 /nfs/dbraw/zinc/63/61/56/873636156.db2.gz JAYDXMRVMJDRFU-HBFSDRIKSA-N 1 0 415.557 4.300 20 30 HIEDRO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460782263 873638807 /nfs/dbraw/zinc/63/88/07/873638807.db2.gz AUISUXUYNVXTDY-DENIHFKCSA-N 1 0 419.577 4.016 20 30 HIEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000460805431 873681047 /nfs/dbraw/zinc/68/10/47/873681047.db2.gz MMSGPVZVRCSPDA-UHFFFAOYSA-N 1 0 422.964 4.282 20 30 HIEDRO N#CCC[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000460936923 873838312 /nfs/dbraw/zinc/83/83/12/873838312.db2.gz ZYUDUSOYSQDTPF-VXNXHJTFSA-N 1 0 402.542 4.195 20 30 HIEDRO C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460937204 873838512 /nfs/dbraw/zinc/83/85/12/873838512.db2.gz GWDCWELANULVHM-QHCPKHFHSA-N 1 0 407.606 4.484 20 30 HIEDRO C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000460955213 873852698 /nfs/dbraw/zinc/85/26/98/873852698.db2.gz DKNXNKUTQVPVGG-ROUUACIJSA-N 1 0 415.607 4.074 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1C ZINC000461266895 874275372 /nfs/dbraw/zinc/27/53/72/874275372.db2.gz YIHMRPGCPPLULY-OAQYLSRUSA-N 1 0 407.562 4.027 20 30 HIEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)c2)c1 ZINC000461440953 874495380 /nfs/dbraw/zinc/49/53/80/874495380.db2.gz DCVFDVIQNNNTGQ-JOCHJYFZSA-N 1 0 403.526 4.085 20 30 HIEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@H]1C ZINC000461492676 874560429 /nfs/dbraw/zinc/56/04/29/874560429.db2.gz YUODDBGORNPCFV-YLJYHZDGSA-N 1 0 420.586 4.236 20 30 HIEDRO Cc1cc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)ccc1OCC[NH+]1CCCC1 ZINC000468824248 882877213 /nfs/dbraw/zinc/87/72/13/882877213.db2.gz COGXQLLAMBNNIM-UHFFFAOYSA-N 1 0 416.481 4.249 20 30 HIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000468836010 882882992 /nfs/dbraw/zinc/88/29/92/882882992.db2.gz GAYHQIDWLXTJEB-PXNSSMCTSA-N 1 0 407.539 4.423 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[C@@H]2C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000461951846 875082068 /nfs/dbraw/zinc/08/20/68/875082068.db2.gz DCCWMYQVIBKYOR-RWQQGDIJSA-N 1 0 408.468 4.080 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2sc(Cl)cc21 ZINC000462040459 875155048 /nfs/dbraw/zinc/15/50/48/875155048.db2.gz NTSFQPYHHLHROA-QGZVFWFLSA-N 1 0 402.951 4.034 20 30 HIEDRO C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000462413996 875520748 /nfs/dbraw/zinc/52/07/48/875520748.db2.gz YKWCAJZWIWSSQP-RFLWCCGPSA-N 1 0 409.533 4.446 20 30 HIEDRO COC(=O)CCCN1CCC([NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000462913053 875938019 /nfs/dbraw/zinc/93/80/19/875938019.db2.gz YSGONFOSXOSOOG-LJQANCHMSA-N 1 0 405.542 4.293 20 30 HIEDRO Cc1[nH+]c2ccc(Br)cc2c(N2CCN(c3cc(C#N)ccn3)CC2)c1C ZINC000462918322 875946017 /nfs/dbraw/zinc/94/60/17/875946017.db2.gz HGEZDEIACPJRPO-UHFFFAOYSA-N 1 0 422.330 4.207 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(Br)cc1OCCCO ZINC000462937439 875962258 /nfs/dbraw/zinc/96/22/58/875962258.db2.gz CARHVBKQHJGEHY-VLIAUNLRSA-N 1 0 415.331 4.420 20 30 HIEDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(Br)cc2OCCCO)ccc1C#N ZINC000463029533 876048624 /nfs/dbraw/zinc/04/86/24/876048624.db2.gz FBFKBCXGNMBUFN-HNNXBMFYSA-N 1 0 403.320 4.241 20 30 HIEDRO N#Cc1cccc(OCc2cccc(C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)c2)c1 ZINC000464322810 877510918 /nfs/dbraw/zinc/51/09/18/877510918.db2.gz CNNKUYLQUNAMOF-QHCPKHFHSA-N 1 0 403.526 4.132 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464763265 878004340 /nfs/dbraw/zinc/00/43/40/878004340.db2.gz ALKLHZTYZIDQKR-UXHICEINSA-N 1 0 423.582 4.445 20 30 HIEDRO C[C@H]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000464828439 878082293 /nfs/dbraw/zinc/08/22/93/878082293.db2.gz FYPSCTHRBJGNEK-SFHVURJKSA-N 1 0 410.949 4.137 20 30 HIEDRO C[C@@H]1CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000464828438 878083275 /nfs/dbraw/zinc/08/32/75/878083275.db2.gz FYPSCTHRBJGNEK-GOSISDBHSA-N 1 0 410.949 4.137 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000464835347 878094175 /nfs/dbraw/zinc/09/41/75/878094175.db2.gz HYYGFYXPNFRXCO-HSZRJFAPSA-N 1 0 418.585 4.147 20 30 HIEDRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)CC1 ZINC000464975703 878320463 /nfs/dbraw/zinc/32/04/63/878320463.db2.gz CWIVEEQWIDLPEQ-UHFFFAOYSA-N 1 0 421.541 4.278 20 30 HIEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000465152340 878531778 /nfs/dbraw/zinc/53/17/78/878531778.db2.gz CLMIBCGVLKHWPP-JOCHJYFZSA-N 1 0 420.557 4.431 20 30 HIEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NCc3cc(C#N)ccc3F)cc2)C1 ZINC000465531527 878988279 /nfs/dbraw/zinc/98/82/79/878988279.db2.gz SBFOSWQPCLPYNE-QZTJIDSGSA-N 1 0 408.521 4.175 20 30 HIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000465801751 879413254 /nfs/dbraw/zinc/41/32/54/879413254.db2.gz AETCJLKJFFEGIL-XZOQPEGZSA-N 1 0 422.598 4.441 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)Cc1ccc(Br)s1)C(C)C ZINC000503441892 912458175 /nfs/dbraw/zinc/45/81/75/912458175.db2.gz ZZFOTVAXPAKSBJ-INIZCTEOSA-N 1 0 414.413 4.351 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(OC(C)(C)C)cc2C(F)(F)F)CC1 ZINC000465868994 879519529 /nfs/dbraw/zinc/51/95/29/879519529.db2.gz XUTFBZNGBXQBQS-UHFFFAOYSA-N 1 0 413.484 4.332 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccccc2COc2ccccc2Cl)CC1 ZINC000465875125 879527557 /nfs/dbraw/zinc/52/75/57/879527557.db2.gz ZKLDMMXPCCCRNT-UHFFFAOYSA-N 1 0 413.949 4.369 20 30 HIEDRO COCCC[N@H+](C)CCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000466062669 879760817 /nfs/dbraw/zinc/76/08/17/879760817.db2.gz CFKQBLPNEFMWLB-UHFFFAOYSA-N 1 0 416.909 4.094 20 30 HIEDRO CCS(=O)(=O)c1cccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000466401770 880166817 /nfs/dbraw/zinc/16/68/17/880166817.db2.gz NALYIKVQQLHHAE-UHFFFAOYSA-N 1 0 420.534 4.221 20 30 HIEDRO CC1CC[NH+](Cc2cccc(CNC(=O)Nc3ncccc3OCCCC#N)c2)CC1 ZINC000466596061 880367247 /nfs/dbraw/zinc/36/72/47/880367247.db2.gz IPFOFJGGZIOQFL-UHFFFAOYSA-N 1 0 421.545 4.318 20 30 HIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000466598833 880369088 /nfs/dbraw/zinc/36/90/88/880369088.db2.gz KBMYONAHHMVPRU-SFHVURJKSA-N 1 0 407.518 4.111 20 30 HIEDRO C[C@@H]1C[C@@H](CCNC(=O)Nc2ncccc2OCCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000466608346 880378184 /nfs/dbraw/zinc/37/81/84/880378184.db2.gz HOYAMALCMQKKGH-TZIWHRDSSA-N 1 0 421.545 4.186 20 30 HIEDRO CC[NH+](CC)CCOC1CCN(c2c(C#N)cnc3ccc(OC(F)F)cc32)CC1 ZINC000467016548 880819526 /nfs/dbraw/zinc/81/95/26/880819526.db2.gz MCCJDQVWGPPJDX-UHFFFAOYSA-N 1 0 418.488 4.035 20 30 HIEDRO CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000467037296 880834454 /nfs/dbraw/zinc/83/44/54/880834454.db2.gz WYODSKQCYHFGDD-QHCPKHFHSA-N 1 0 410.537 4.038 20 30 HIEDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[N@@H+]1Cc1ccccc1 ZINC000467043889 880838986 /nfs/dbraw/zinc/83/89/86/880838986.db2.gz HFAQZTSHCNSGIY-WIYYLYMNSA-N 1 0 415.493 4.123 20 30 HIEDRO C=CCC[N@@H+](C)CC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000467296917 881042339 /nfs/dbraw/zinc/04/23/39/881042339.db2.gz KPPQGONOWOWBST-UHFFFAOYSA-N 1 0 405.420 4.404 20 30 HIEDRO C=CCN1CC[C@H](N(C)Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1=O ZINC000467511958 881326302 /nfs/dbraw/zinc/32/63/02/881326302.db2.gz MKMQUVNGMUSFJF-KRWDZBQOSA-N 1 0 415.877 4.259 20 30 HIEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc(COc4ccccc4C#N)o3)cccc21 ZINC000469056891 883131743 /nfs/dbraw/zinc/13/17/43/883131743.db2.gz PQKFDTOJPNVCEW-FQEVSTJZSA-N 1 0 417.465 4.368 20 30 HIEDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000469225386 883325336 /nfs/dbraw/zinc/32/53/36/883325336.db2.gz RWSJFXYYQQBQNO-GCJKJVERSA-N 1 0 414.509 4.338 20 30 HIEDRO C[C@@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1ccc(C#N)cc1 ZINC000469658610 883853242 /nfs/dbraw/zinc/85/32/42/883853242.db2.gz ALGQEQJLHAAVER-KUHUBIRLSA-N 1 0 404.436 4.240 20 30 HIEDRO N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@@H](OCC[NH+]4CCCCC4)C3)c2)cc1 ZINC000469919531 884111140 /nfs/dbraw/zinc/11/11/40/884111140.db2.gz QMLZCEHWIHZIQN-XMMPIXPASA-N 1 0 419.525 4.068 20 30 HIEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000503705573 912803953 /nfs/dbraw/zinc/80/39/53/912803953.db2.gz RPPPQAIYJQSISG-LJQANCHMSA-N 1 0 420.557 4.240 20 30 HIEDRO N#CCCN(C(=O)C[N@@H+]1CC[C@H](COCc2ccccc2)C1)c1cccc(Cl)c1 ZINC000470212289 884532927 /nfs/dbraw/zinc/53/29/27/884532927.db2.gz SOWRQWUOOJZESN-FQEVSTJZSA-N 1 0 411.933 4.125 20 30 HIEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)Nc2ccn(CCC#N)n2)cc1)C[C@H]1CCCCO1 ZINC000470419377 884822108 /nfs/dbraw/zinc/82/21/08/884822108.db2.gz QFLAVCWUGKXCLD-OAQYLSRUSA-N 1 0 424.549 4.220 20 30 HIEDRO CCC1(CC)Oc2ccc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2O1 ZINC000470538849 884942150 /nfs/dbraw/zinc/94/21/50/884942150.db2.gz XIQFYVCAQRNITI-UHFFFAOYSA-N 1 0 422.529 4.441 20 30 HIEDRO CN(c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470871772 885359123 /nfs/dbraw/zinc/35/91/23/885359123.db2.gz GBWHEKNIZIUHBM-HXUWFJFHSA-N 1 0 401.470 4.115 20 30 HIEDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)[C@H](C)C1 ZINC000471236780 885811639 /nfs/dbraw/zinc/81/16/39/885811639.db2.gz RXBYEZZWSZZYMZ-VGOFRKELSA-N 1 0 413.610 4.082 20 30 HIEDRO C=C(C)CN(Cc1ccccc1)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000471811076 886550268 /nfs/dbraw/zinc/55/02/68/886550268.db2.gz NALPDMRHWZYOQU-HXUWFJFHSA-N 1 0 424.564 4.426 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2csc3ccc(Br)cc23)CC1 ZINC000472085449 886885716 /nfs/dbraw/zinc/88/57/16/886885716.db2.gz RYDAEWQPFXCLGK-UHFFFAOYSA-N 1 0 407.377 4.363 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2)c2ccc3c(c2)CCCO3)CC1 ZINC000504248584 913113986 /nfs/dbraw/zinc/11/39/86/913113986.db2.gz YASFWJBZTNVRSJ-DEOSSOPVSA-N 1 0 405.542 4.051 20 30 HIEDRO CCO[C@H]1C[C@H](O)C12CC[NH+](CCC(C#N)(c1ccccc1)c1ccccc1)CC2 ZINC000472602388 887474513 /nfs/dbraw/zinc/47/45/13/887474513.db2.gz IXRBEWYFGTWNGJ-ZEQRLZLVSA-N 1 0 404.554 4.138 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000504309891 913158467 /nfs/dbraw/zinc/15/84/67/913158467.db2.gz LOKBQXOJXZQLSR-FGZHOGPDSA-N 1 0 404.514 4.080 20 30 HIEDRO CCN(CCC[NH+]1CCCC1)C(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000472987685 887828204 /nfs/dbraw/zinc/82/82/04/887828204.db2.gz SLWQWQJOAGCQCC-UHFFFAOYSA-N 1 0 407.562 4.029 20 30 HIEDRO COc1ccc(C[NH+]2CCC(Nc3nc(C)cs3)CC2)cc1OCCCC#N ZINC000473066495 887887228 /nfs/dbraw/zinc/88/72/28/887887228.db2.gz UDBXPJOUGSDBIE-UHFFFAOYSA-N 1 0 400.548 4.219 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000504385726 913211116 /nfs/dbraw/zinc/21/11/16/913211116.db2.gz YGMHFAHEBRCRHD-IBGZPJMESA-N 1 0 421.541 4.103 20 30 HIEDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(C(F)(F)F)c(F)c1 ZINC000473522135 888256260 /nfs/dbraw/zinc/25/62/60/888256260.db2.gz PNBQCWHIFIMCGL-UHFFFAOYSA-N 1 0 412.349 4.380 20 30 HIEDRO C[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C(=O)N1Cc2ccccc2C1 ZINC000475495961 890403723 /nfs/dbraw/zinc/40/37/23/890403723.db2.gz UPBDQJSSBOLFQY-IBGZPJMESA-N 1 0 411.505 4.158 20 30 HIEDRO COc1ccc(C[NH+]2CCC(O)(Cc3cccc(C)c3)CC2)cc1OCCCC#N ZINC000475500661 890410431 /nfs/dbraw/zinc/41/04/31/890410431.db2.gz GTHRKVRRUYFXHB-UHFFFAOYSA-N 1 0 408.542 4.256 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475684613 890625155 /nfs/dbraw/zinc/62/51/55/890625155.db2.gz BWAKURHCTCMHOZ-CYFREDJKSA-N 1 0 423.582 4.089 20 30 HIEDRO CC(C)([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000475724853 890663413 /nfs/dbraw/zinc/66/34/13/890663413.db2.gz WDMTUZFXWRVFEM-UHFFFAOYSA-N 1 0 405.420 4.357 20 30 HIEDRO C[C@H]1C[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000504825125 913541949 /nfs/dbraw/zinc/54/19/49/913541949.db2.gz HMTREUPSKVFKIY-CYFREDJKSA-N 1 0 400.526 4.020 20 30 HIEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@H](C)C1 ZINC000476832666 891813448 /nfs/dbraw/zinc/81/34/48/891813448.db2.gz RZANLMZCQFPJLJ-VGOFRKELSA-N 1 0 424.520 4.470 20 30 HIEDRO C=C(C)[C@H](NC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000477046634 891973998 /nfs/dbraw/zinc/97/39/98/891973998.db2.gz WEDNMTPZVFZVSB-NDXORKPFSA-N 1 0 409.521 4.018 20 30 HIEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000477288429 892246342 /nfs/dbraw/zinc/24/63/42/892246342.db2.gz GHQOJDPEBFUPMO-HSZRJFAPSA-N 1 0 408.521 4.284 20 30 HIEDRO CCC[N@H+](CCCOc1cccc(C#N)c1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000477754793 892846190 /nfs/dbraw/zinc/84/61/90/892846190.db2.gz KTVSDOWDFMBIER-UHFFFAOYSA-N 1 0 407.562 4.115 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1C#N ZINC000477946545 893035782 /nfs/dbraw/zinc/03/57/82/893035782.db2.gz YXZRRFXDYABQNT-VWLOTQADSA-N 1 0 418.541 4.475 20 30 HIEDRO Cn1cc(C[NH2+]C[C@@H]2CCCN(C)[C@@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000478195703 893357133 /nfs/dbraw/zinc/35/71/33/893357133.db2.gz KTAGNZXYRCONGK-CVDCTZTESA-N 1 0 405.571 4.193 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000478587723 893862559 /nfs/dbraw/zinc/86/25/59/893862559.db2.gz AMDDWKPFOKUILM-IBGZPJMESA-N 1 0 412.578 4.111 20 30 HIEDRO C=C(C)[C@@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccc(F)c(F)c1 ZINC000478918708 894199100 /nfs/dbraw/zinc/19/91/00/894199100.db2.gz FCXAEYWTEOEZNL-HSZRJFAPSA-N 1 0 414.496 4.216 20 30 HIEDRO COc1ccc([C@@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[NH+]2CCCCC2)cc1 ZINC000505169851 913858462 /nfs/dbraw/zinc/85/84/62/913858462.db2.gz VPEPIRQSQPUTBV-HSZRJFAPSA-N 1 0 421.516 4.081 20 30 HIEDRO CC[NH+](CC)CCN(CC(C)C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000479162967 894433030 /nfs/dbraw/zinc/43/30/30/894433030.db2.gz KKAWALQDUDFIDF-UHFFFAOYSA-N 1 0 414.594 4.258 20 30 HIEDRO CC[C@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000479220905 894484454 /nfs/dbraw/zinc/48/44/54/894484454.db2.gz TUCUBHLIIVSCLE-OAQYLSRUSA-N 1 0 405.542 4.253 20 30 HIEDRO Cc1cc(Cl)ccc1O[C@H](C)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479294536 894575913 /nfs/dbraw/zinc/57/59/13/894575913.db2.gz YXGHFHPQJPGDNP-GOSISDBHSA-N 1 0 411.933 4.090 20 30 HIEDRO Cc1ccc(C(C)C)c(OCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479309303 894595678 /nfs/dbraw/zinc/59/56/78/894595678.db2.gz IGIFUXGOGQNNLP-UHFFFAOYSA-N 1 0 405.542 4.172 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000479790092 895093779 /nfs/dbraw/zinc/09/37/79/895093779.db2.gz QZJUXBOQOSGPEQ-QHCPKHFHSA-N 1 0 409.578 4.389 20 30 HIEDRO COc1cc2c(cc1F)[nH+]ccc2N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000479953922 895306268 /nfs/dbraw/zinc/30/62/68/895306268.db2.gz GJXGMLHNSNQPDS-UHFFFAOYSA-N 1 0 413.456 4.129 20 30 HIEDRO Cc1ccccc1C1(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)CCOCC1 ZINC000480049499 895396861 /nfs/dbraw/zinc/39/68/61/895396861.db2.gz UWMLIEZGBAMCBX-UHFFFAOYSA-N 1 0 400.526 4.105 20 30 HIEDRO CCC[N@H+](C)C[C@H]1CCN(c2c(C#N)cnc3c(Br)c(C)ccc32)C1 ZINC000480061709 895408191 /nfs/dbraw/zinc/40/81/91/895408191.db2.gz PSDQJYLPQVFCDY-OAHLLOKOSA-N 1 0 401.352 4.346 20 30 HIEDRO C[N@H+](Cc1ccccn1)[C@H]1CCCN(c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000480247462 895658691 /nfs/dbraw/zinc/65/86/91/895658691.db2.gz BCKHLRJIVJDYDI-QFIPXVFZSA-N 1 0 403.574 4.453 20 30 HIEDRO CC[NH+](CC)CCOc1cc(NC(=O)N[C@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000480440721 895830777 /nfs/dbraw/zinc/83/07/77/895830777.db2.gz XUMCGSQIZCEVBT-QGZVFWFLSA-N 1 0 410.518 4.170 20 30 HIEDRO C[C@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480831374 896205535 /nfs/dbraw/zinc/20/55/35/896205535.db2.gz WIHXCHIMIXMEMV-SFHVURJKSA-N 1 0 411.571 4.410 20 30 HIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000481061300 896383175 /nfs/dbraw/zinc/38/31/75/896383175.db2.gz QLBDJYFZDJAKEZ-UHFFFAOYSA-N 1 0 407.971 4.393 20 30 HIEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1)CC(F)(F)F ZINC000481118601 896444857 /nfs/dbraw/zinc/44/48/57/896444857.db2.gz PTXGGHPSFNTVLN-AWEZNQCLSA-N 1 0 404.274 4.027 20 30 HIEDRO CC(C)CC(=O)Nc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000505422818 914087106 /nfs/dbraw/zinc/08/71/06/914087106.db2.gz XSPCAXNQHGNGPR-UHFFFAOYSA-N 1 0 421.545 4.139 20 30 HIEDRO C=C(C)[C@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000481606163 896986519 /nfs/dbraw/zinc/98/65/19/896986519.db2.gz GGHBONHAIDAJMK-FQEVSTJZSA-N 1 0 405.401 4.117 20 30 HIEDRO C=C(C)[C@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(F)c(F)c1 ZINC000481617878 897001021 /nfs/dbraw/zinc/00/10/21/897001021.db2.gz AGFHXSHVOGLBEB-FQEVSTJZSA-N 1 0 405.401 4.117 20 30 HIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c1C#N ZINC000481737170 897131924 /nfs/dbraw/zinc/13/19/24/897131924.db2.gz OMHBPSWLCQVLCV-XZOQPEGZSA-N 1 0 422.573 4.147 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000481916179 897299194 /nfs/dbraw/zinc/29/91/94/897299194.db2.gz XDGFEBSJWLRIBR-XMMPIXPASA-N 1 0 402.542 4.018 20 30 HIEDRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3cc(C#N)cn3C(C)(C)C)CC[N@@H+]2C2CC2)c1 ZINC000481926847 897310801 /nfs/dbraw/zinc/31/08/01/897310801.db2.gz WDDCDWVICGXGNK-IFMALSPDSA-N 1 0 421.545 4.223 20 30 HIEDRO Cc1cc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)ccc1OCC[NH+]1CCCC1 ZINC000482200503 897678417 /nfs/dbraw/zinc/67/84/17/897678417.db2.gz UDMURBYYZYEKMZ-UHFFFAOYSA-N 1 0 407.514 4.137 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)c(-c2ccccc2)n1 ZINC000482316708 897814592 /nfs/dbraw/zinc/81/45/92/897814592.db2.gz YSNMNUMEBPDKBB-UHFFFAOYSA-N 1 0 418.516 4.172 20 30 HIEDRO CCCc1c(NC(=O)N(CCC)CC[NH+]2CCCCC2)cnn1-c1cccc(C#N)c1 ZINC000482501966 898083249 /nfs/dbraw/zinc/08/32/49/898083249.db2.gz NOPVCTKRQIFNCE-UHFFFAOYSA-N 1 0 422.577 4.426 20 30 HIEDRO C=CCNC(=O)Nc1ccc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000482716505 898316150 /nfs/dbraw/zinc/31/61/50/898316150.db2.gz TYVNXGCEALYDII-UHFFFAOYSA-N 1 0 406.530 4.235 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(N2CCCC2=O)c1 ZINC000482887459 898502354 /nfs/dbraw/zinc/50/23/54/898502354.db2.gz KHFBSQZPIDEAQD-FXAWDEMLSA-N 1 0 406.505 4.144 20 30 HIEDRO COc1cc(F)c([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC ZINC000482890766 898507543 /nfs/dbraw/zinc/50/75/43/898507543.db2.gz NSZHGEYEELKRNN-ZBFHGGJFSA-N 1 0 401.457 4.173 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(-n2cncn2)cc1Cl ZINC000482892861 898511445 /nfs/dbraw/zinc/51/14/45/898511445.db2.gz VFLAGJFKDWLEQU-WBVHZDCISA-N 1 0 424.911 4.251 20 30 HIEDRO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000483025953 898686381 /nfs/dbraw/zinc/68/63/81/898686381.db2.gz ZFNJKYIUHGWLRU-HSZRJFAPSA-N 1 0 400.567 4.311 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000505583627 914291542 /nfs/dbraw/zinc/29/15/42/914291542.db2.gz DINKWYKHOPDJES-UNMCSNQZSA-N 1 0 419.569 4.161 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](CC2CC2)CC2CCC2)c1C#N ZINC000483261106 898902455 /nfs/dbraw/zinc/90/24/55/898902455.db2.gz LXRBCSRICAFCIU-UHFFFAOYSA-N 1 0 408.546 4.459 20 30 HIEDRO Cc1ccc(-c2noc([C@H](C)NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2)cc1F ZINC000483660342 899321493 /nfs/dbraw/zinc/32/14/93/899321493.db2.gz MFCPBFAUNGBMCO-KRWDZBQOSA-N 1 0 419.504 4.371 20 30 HIEDRO C=CCOc1ccccc1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000505765304 914434662 /nfs/dbraw/zinc/43/46/62/914434662.db2.gz IYOPZOPQJOXRQK-UHFFFAOYSA-N 1 0 407.514 4.318 20 30 HIEDRO COCC[N@H+](CCC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C#N)cc1 ZINC000485049375 900381554 /nfs/dbraw/zinc/38/15/54/900381554.db2.gz ZKHMOWIKIYBILU-UHFFFAOYSA-N 1 0 405.420 4.054 20 30 HIEDRO COCCSc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485324239 900606815 /nfs/dbraw/zinc/60/68/15/900606815.db2.gz VTTWILACCCETBT-VGOFRKELSA-N 1 0 409.555 4.143 20 30 HIEDRO C=CCSc1ccccc1C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000485454661 900749208 /nfs/dbraw/zinc/74/92/08/900749208.db2.gz MULIMVRGSXIEHM-UHFFFAOYSA-N 1 0 409.599 4.032 20 30 HIEDRO CC[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1cc(F)cc(Br)c1 ZINC000485822809 901069860 /nfs/dbraw/zinc/06/98/60/901069860.db2.gz NLVBUUBCYKBLMI-INIZCTEOSA-N 1 0 408.271 4.349 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000505910842 914554932 /nfs/dbraw/zinc/55/49/32/914554932.db2.gz DFTHIXHYXZCHSS-PZJWPPBQSA-N 1 0 421.541 4.457 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1C#N ZINC000505935920 914588108 /nfs/dbraw/zinc/58/81/08/914588108.db2.gz QWILGVPSAGWLKP-IAGOWNOFSA-N 1 0 412.603 4.279 20 30 HIEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)CC1 ZINC000487186429 902090710 /nfs/dbraw/zinc/09/07/10/902090710.db2.gz PAAZNDLDPFWSOV-DEOSSOPVSA-N 1 0 404.558 4.382 20 30 HIEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000488296933 902759222 /nfs/dbraw/zinc/75/92/22/902759222.db2.gz KBWVAHGPSWDROJ-SFHVURJKSA-N 1 0 420.513 4.068 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000488400447 902808407 /nfs/dbraw/zinc/80/84/07/902808407.db2.gz COBHJYHWGVBEEF-VXKWHMMOSA-N 1 0 411.571 4.432 20 30 HIEDRO CC(C)CCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488457156 902834265 /nfs/dbraw/zinc/83/42/65/902834265.db2.gz AAQNJVQDUUITDL-YADARESESA-N 1 0 405.542 4.435 20 30 HIEDRO CC[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488471581 902842367 /nfs/dbraw/zinc/84/23/67/902842367.db2.gz CNWKWNIEQIPWSV-FPOVZHCZSA-N 1 0 413.974 4.473 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000488809446 903014333 /nfs/dbraw/zinc/01/43/33/903014333.db2.gz NNECWEJQFHFEJN-SFHVURJKSA-N 1 0 406.368 4.022 20 30 HIEDRO C[N@H+](Cc1ccccc1NS(=O)(=O)c1ccc(C#N)c(F)c1)C1CCCCC1 ZINC000489086490 903187237 /nfs/dbraw/zinc/18/72/37/903187237.db2.gz YKYFSZCISINXIO-UHFFFAOYSA-N 1 0 401.507 4.263 20 30 HIEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000489260479 903295607 /nfs/dbraw/zinc/29/56/07/903295607.db2.gz SNXLXGYUCZTDLF-HSZRJFAPSA-N 1 0 411.546 4.005 20 30 HIEDRO N#Cc1ccc(CSCC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)cc1 ZINC000489301074 903319428 /nfs/dbraw/zinc/31/94/28/903319428.db2.gz ALMVPZRXZQFPBC-UHFFFAOYSA-N 1 0 409.555 4.295 20 30 HIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489529020 903439773 /nfs/dbraw/zinc/43/97/73/903439773.db2.gz IPKJKEJIGXBVPL-RDPSFJRHSA-N 1 0 404.558 4.390 20 30 HIEDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000490099912 903770223 /nfs/dbraw/zinc/77/02/23/903770223.db2.gz ZIUUUDNDYVFRLW-GOSISDBHSA-N 1 0 417.962 4.410 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000490428853 904003695 /nfs/dbraw/zinc/00/36/95/904003695.db2.gz DVMIGGARBCPDFS-UHFFFAOYSA-N 1 0 412.578 4.087 20 30 HIEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490432134 904005803 /nfs/dbraw/zinc/00/58/03/904005803.db2.gz KOPUCGYSKFQBMJ-JOCHJYFZSA-N 1 0 410.525 4.282 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1C ZINC000491062842 904407087 /nfs/dbraw/zinc/40/70/87/904407087.db2.gz SYDSTQHCKUOQSR-QHCPKHFHSA-N 1 0 410.606 4.138 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1C ZINC000493409579 905108771 /nfs/dbraw/zinc/10/87/71/905108771.db2.gz AWKWEBWRYOPNSB-FQEVSTJZSA-N 1 0 421.570 4.175 20 30 HIEDRO C[C@@H]1C[C@H](CCNC(=O)NC2(c3cccc(C#N)c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512393010 921128398 /nfs/dbraw/zinc/12/83/98/921128398.db2.gz NBUFMPRBMUBJFL-KNQAVFIVSA-N 1 0 402.542 4.147 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000493961266 905312286 /nfs/dbraw/zinc/31/22/86/905312286.db2.gz MUHRBBVVXUETOH-XMMPIXPASA-N 1 0 411.505 4.142 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000494471114 905752361 /nfs/dbraw/zinc/75/23/61/905752361.db2.gz WLOKWHHVMKSPHH-OEPMTFCVSA-N 1 0 415.946 4.209 20 30 HIEDRO Cc1cc(Br)cc2c1[C@H]([NH2+][C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 ZINC000494481413 905764182 /nfs/dbraw/zinc/76/41/82/905764182.db2.gz GNMGQWCIHNOSQN-UXHICEINSA-N 1 0 424.342 4.007 20 30 HIEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1Cl ZINC000494501384 905793420 /nfs/dbraw/zinc/79/34/20/905793420.db2.gz HSKLLVKFNMCPSL-MJGOQNOKSA-N 1 0 408.260 4.062 20 30 HIEDRO CCSc1cccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000494626141 905870211 /nfs/dbraw/zinc/87/02/11/905870211.db2.gz NYBOYEUKAGZODD-UHFFFAOYSA-N 1 0 408.571 4.088 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000495098369 906237798 /nfs/dbraw/zinc/23/77/98/906237798.db2.gz CFFVPXCMDXWSKA-UHFFFAOYSA-N 1 0 404.539 4.465 20 30 HIEDRO CS[C@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C[C@H]1[NH+](C)C ZINC000495695382 906525700 /nfs/dbraw/zinc/52/57/00/906525700.db2.gz CGXWIIFCNRUGDE-QUCCMNQESA-N 1 0 415.946 4.122 20 30 HIEDRO CCCOc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1OC ZINC000512604626 921257091 /nfs/dbraw/zinc/25/70/91/921257091.db2.gz NFTXEWLZIICUAI-UHFFFAOYSA-N 1 0 407.514 4.206 20 30 HIEDRO Cc1cc(Br)ccc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000512616663 921263188 /nfs/dbraw/zinc/26/31/88/921263188.db2.gz HWZNGALRBBAHPA-UHFFFAOYSA-N 1 0 412.331 4.480 20 30 HIEDRO Cn1cc(C[NH+]2CCC3(CC2)OCCc2ccsc23)c(-c2ccc(C#N)cc2)n1 ZINC000497136159 906811866 /nfs/dbraw/zinc/81/18/66/906811866.db2.gz YYSJZMXQYXOFQV-UHFFFAOYSA-N 1 0 404.539 4.084 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(OC(F)F)cc1 ZINC000497654477 907145175 /nfs/dbraw/zinc/14/51/75/907145175.db2.gz TUFFGGWCXNTBJQ-UHFFFAOYSA-N 1 0 408.518 4.386 20 30 HIEDRO FC(F)C(F)(F)CN1CC[NH+](CCCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000512738427 921299766 /nfs/dbraw/zinc/29/97/66/921299766.db2.gz FIXKTOVYYCJKDN-UHFFFAOYSA-N 1 0 416.381 4.382 20 30 HIEDRO Cn1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000512818497 921323069 /nfs/dbraw/zinc/32/30/69/921323069.db2.gz USPDIOXVMFIBOU-UHFFFAOYSA-N 1 0 415.472 4.013 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cn(C)nc1-c1ccccc1Cl)C(C)C ZINC000498353519 907853878 /nfs/dbraw/zinc/85/38/78/907853878.db2.gz JNDVYHGAIOIAJL-HXUWFJFHSA-N 1 0 400.954 4.169 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1(c2ccccc2Cl)CCOCC1)C(C)C ZINC000498367478 907860690 /nfs/dbraw/zinc/86/06/90/907860690.db2.gz MSLNLRZZCSHOKC-OAQYLSRUSA-N 1 0 404.982 4.203 20 30 HIEDRO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000498552661 908013777 /nfs/dbraw/zinc/01/37/77/908013777.db2.gz GJXDFGXLSSPTAO-GOTSBHOMSA-N 1 0 409.530 4.006 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN(Cc1cccc(O)c1)CC1CC1 ZINC000498900217 908306515 /nfs/dbraw/zinc/30/65/15/908306515.db2.gz XTLGYORKJUKNQW-QGZVFWFLSA-N 1 0 409.555 4.495 20 30 HIEDRO C[C@H](Sc1ccc(Cl)cc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000499056170 908425259 /nfs/dbraw/zinc/42/52/59/908425259.db2.gz OGALRQDRIJIRCF-INIZCTEOSA-N 1 0 401.963 4.283 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000499056425 908427620 /nfs/dbraw/zinc/42/76/20/908427620.db2.gz PAJZRGNQUYJGIX-RTWAWAEBSA-N 1 0 415.459 4.271 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000512923055 921417207 /nfs/dbraw/zinc/41/72/07/921417207.db2.gz POUDYBVJERSQSF-INIZCTEOSA-N 1 0 406.486 4.131 20 30 HIEDRO Cc1nc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)ccc1C#N ZINC000499365324 908733997 /nfs/dbraw/zinc/73/39/97/908733997.db2.gz TWOGJLNBRNXVIM-UHFFFAOYSA-N 1 0 417.340 4.307 20 30 HIEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCC2(C#N)CCOCC2)[C@H]2CCCC[C@@H]12 ZINC000499524028 908828659 /nfs/dbraw/zinc/82/86/59/908828659.db2.gz RRUXIEWWHNBOKS-KGWSWXIGSA-N 1 0 403.611 4.271 20 30 HIEDRO CC(C)[N@H+](CCCC1(C#N)CCOCC1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000499524109 908828773 /nfs/dbraw/zinc/82/87/73/908828773.db2.gz SHIOVPBKQYHFBL-UHFFFAOYSA-N 1 0 411.468 4.455 20 30 HIEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000499708943 908884835 /nfs/dbraw/zinc/88/48/35/908884835.db2.gz HRJFYWFFZKAYSS-OAQYLSRUSA-N 1 0 407.562 4.075 20 30 HIEDRO N#CC1(CCC[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)CCOCC1 ZINC000499734952 908894111 /nfs/dbraw/zinc/89/41/11/908894111.db2.gz SXAIGNVXLWLDEY-UHFFFAOYSA-N 1 0 412.452 4.281 20 30 HIEDRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1=O ZINC000513037533 921496664 /nfs/dbraw/zinc/49/66/64/921496664.db2.gz SJQHLMOCMUXYAD-KRWDZBQOSA-N 1 0 418.360 4.284 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 ZINC000500253398 909740199 /nfs/dbraw/zinc/74/01/99/909740199.db2.gz YKHMYKRPCVXLPL-MRXNPFEDSA-N 1 0 401.869 4.057 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)c4ncccc34)CC2)cc1 ZINC000513071195 921524712 /nfs/dbraw/zinc/52/47/12/921524712.db2.gz SDGPLULOECNACN-UHFFFAOYSA-N 1 0 404.901 4.108 20 30 HIEDRO C[C@@H]([NH2+]C1(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCOCC1)c1ccccc1 ZINC000500663491 910003501 /nfs/dbraw/zinc/00/35/01/910003501.db2.gz DCFFQZCTYGHUNK-GOSISDBHSA-N 1 0 423.561 4.136 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)cc1 ZINC000500890413 910161325 /nfs/dbraw/zinc/16/13/25/910161325.db2.gz OWVUDJFDRCPOAC-FQEVSTJZSA-N 1 0 408.502 4.163 20 30 HIEDRO COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1OCCCC#N ZINC000513107931 921556218 /nfs/dbraw/zinc/55/62/18/921556218.db2.gz YREYXXJZTRAJQM-NRFANRHFSA-N 1 0 421.541 4.020 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)s1 ZINC000513129309 921573702 /nfs/dbraw/zinc/57/37/02/921573702.db2.gz XHABIFRVNRAOTJ-UHFFFAOYSA-N 1 0 404.333 4.233 20 30 HIEDRO C[NH+](C)CCCC1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000501624580 910726370 /nfs/dbraw/zinc/72/63/70/910726370.db2.gz FCXMUXCCFIAPJJ-UHFFFAOYSA-N 1 0 405.542 4.331 20 30 HIEDRO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000501980834 910962323 /nfs/dbraw/zinc/96/23/23/910962323.db2.gz IHVIFUQCSIFRSV-CABCVRRESA-N 1 0 423.904 4.089 20 30 HIEDRO C=C(C)[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000502014765 910979485 /nfs/dbraw/zinc/97/94/85/910979485.db2.gz GEUZBUOWRVCCJY-LEWJYISDSA-N 1 0 403.473 4.193 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)N[C@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000502182425 911110598 /nfs/dbraw/zinc/11/05/98/911110598.db2.gz OTRSKXVVXZILJD-DEOSSOPVSA-N 1 0 400.526 4.022 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)N[C@@H](C[NH+]3CCCC3)c3ccccc3)CC2)cc1 ZINC000502284192 911236612 /nfs/dbraw/zinc/23/66/12/911236612.db2.gz XPXDJMRMPYMNRJ-DEOSSOPVSA-N 1 0 400.526 4.194 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)N3CC[NH+](C4CCC4)CC3)c2)cc1 ZINC000502318244 911291048 /nfs/dbraw/zinc/29/10/48/911291048.db2.gz NFJUYHZARMQTJQ-UHFFFAOYSA-N 1 0 404.514 4.034 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)N3CC[NH+](C4CCC4)CC3)cc2Cl)c1 ZINC000502470881 911462742 /nfs/dbraw/zinc/46/27/42/911462742.db2.gz YGYPODBMWNEGFH-UHFFFAOYSA-N 1 0 424.932 4.493 20 30 HIEDRO COc1cc(C[NH2+]C(C)(C)C(=O)NCC(C)(C)C)ccc1OCc1cccc(C#N)c1 ZINC000502744315 911767548 /nfs/dbraw/zinc/76/75/48/911767548.db2.gz QSKXYZLLTWZCRS-UHFFFAOYSA-N 1 0 423.557 4.176 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1cccc2ccccc21 ZINC000502941641 911927414 /nfs/dbraw/zinc/92/74/14/911927414.db2.gz WSWIXYLJEFEAKZ-UHFFFAOYSA-N 1 0 400.526 4.027 20 30 HIEDRO Cc1cc(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)nn1-c1cccc(C#N)c1 ZINC000503155179 912120751 /nfs/dbraw/zinc/12/07/51/912120751.db2.gz YMHNMGLUPWHTCV-LJQANCHMSA-N 1 0 413.525 4.008 20 30 HIEDRO C=C(C)COc1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1OC ZINC000506292853 914889103 /nfs/dbraw/zinc/88/91/03/914889103.db2.gz CGWMMLRWXFAZJN-UHFFFAOYSA-N 1 0 405.542 4.230 20 30 HIEDRO COc1ccc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1OCCCC#N ZINC000506294515 914889708 /nfs/dbraw/zinc/88/97/08/914889708.db2.gz JRVSGEWLHUMYPD-UHFFFAOYSA-N 1 0 411.521 4.225 20 30 HIEDRO Cc1ccc([C@H](OC[C@H](O)C[N@@H+](C)Cc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000506340101 914956042 /nfs/dbraw/zinc/95/60/42/914956042.db2.gz RJDCVFAVPSKWOV-CLJLJLNGSA-N 1 0 400.522 4.466 20 30 HIEDRO C[C@H]1C[C@@H](N(C)C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000513365803 921739233 /nfs/dbraw/zinc/73/92/33/921739233.db2.gz HQPGYKWVQPEKHO-MBSDFSHPSA-N 1 0 405.517 4.240 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H](Cc3ccccn3)c3cccnc3)C2)c(F)c1 ZINC000513387922 921759686 /nfs/dbraw/zinc/75/96/86/921759686.db2.gz IOIPUCQYGYAXSL-GGAORHGYSA-N 1 0 401.489 4.030 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCSCc2ccccc2C#N)C1 ZINC000506939641 915743702 /nfs/dbraw/zinc/74/37/02/915743702.db2.gz JOAVPJCOBRTKDH-WOJBJXKFSA-N 1 0 414.619 4.087 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000507218574 915970876 /nfs/dbraw/zinc/97/08/76/915970876.db2.gz LGTYELXOWRXXGW-LJQANCHMSA-N 1 0 423.532 4.424 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@@H]1OCCc2ccccc21 ZINC000507234259 915992089 /nfs/dbraw/zinc/99/20/89/915992089.db2.gz PWVVRBFQBJNIST-FQEVSTJZSA-N 1 0 409.555 4.073 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC(c3cn[nH]c3)CC2)c1C#N ZINC000507241071 916001698 /nfs/dbraw/zinc/00/16/98/916001698.db2.gz WVQPQRYPQQWXHW-UHFFFAOYSA-N 1 0 408.550 4.023 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)cc1OC(F)F ZINC000507423158 916195055 /nfs/dbraw/zinc/19/50/55/916195055.db2.gz QVXSXYRBYNSKDY-FZKQIMNGSA-N 1 0 403.404 4.145 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](Cc3cccc(C(=O)N4CCCCC4)c3)CC2)cc1 ZINC000507850437 916671872 /nfs/dbraw/zinc/67/18/72/916671872.db2.gz JHHUELHMQHERNT-UHFFFAOYSA-N 1 0 403.526 4.228 20 30 HIEDRO COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507858703 916687506 /nfs/dbraw/zinc/68/75/06/916687506.db2.gz HQJCUVVHCOVKFK-UHFFFAOYSA-N 1 0 413.905 4.092 20 30 HIEDRO C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000507885588 916730231 /nfs/dbraw/zinc/73/02/31/916730231.db2.gz DTVHPVPGYXJWQQ-KRWDZBQOSA-N 1 0 405.523 4.066 20 30 HIEDRO COCc1ccccc1/C=C(\C)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000507985435 916828891 /nfs/dbraw/zinc/82/88/91/916828891.db2.gz OKKPKUDXBOGDPF-XMHGGMMESA-N 1 0 403.526 4.459 20 30 HIEDRO C=C(C)COc1cc(C[NH+]2CCC(C(=O)Nc3ccc(C)cn3)CC2)ccc1OC ZINC000508009207 916847458 /nfs/dbraw/zinc/84/74/58/916847458.db2.gz NSZBBGSUUDXVON-UHFFFAOYSA-N 1 0 409.530 4.204 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000508259104 917076699 /nfs/dbraw/zinc/07/66/99/917076699.db2.gz MVDABOQKKKJJHY-UHFFFAOYSA-N 1 0 420.513 4.355 20 30 HIEDRO C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508470746 917256381 /nfs/dbraw/zinc/25/63/81/917256381.db2.gz DMPNFKFDSLCIGY-GOSISDBHSA-N 1 0 418.010 4.474 20 30 HIEDRO C=CCn1c(-c2cccnc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508476356 917260340 /nfs/dbraw/zinc/26/03/40/917260340.db2.gz CNVQXQIDEHSUHP-XZOQPEGZSA-N 1 0 414.557 4.017 20 30 HIEDRO C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508492522 917277307 /nfs/dbraw/zinc/27/73/07/917277307.db2.gz WJZVVUIFRSHXND-KRWDZBQOSA-N 1 0 419.495 4.462 20 30 HIEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508505707 917291584 /nfs/dbraw/zinc/29/15/84/917291584.db2.gz OAXXZDNBQHHOLG-UXHICEINSA-N 1 0 409.578 4.231 20 30 HIEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@@H]2CCCC[C@H]12 ZINC000508678618 917441562 /nfs/dbraw/zinc/44/15/62/917441562.db2.gz QDCKYGVGSAYAIX-HYYNZMQPSA-N 1 0 424.589 4.071 20 30 HIEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508696620 917458789 /nfs/dbraw/zinc/45/87/89/917458789.db2.gz HQKKGGLGSRKRLK-OFNKIYASSA-N 1 0 421.589 4.113 20 30 HIEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508696618 917458820 /nfs/dbraw/zinc/45/88/20/917458820.db2.gz HQKKGGLGSRKRLK-NFBKMPQASA-N 1 0 421.589 4.113 20 30 HIEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508745551 917503595 /nfs/dbraw/zinc/50/35/95/917503595.db2.gz GDLRFMKYMKSENI-FGZHOGPDSA-N 1 0 423.605 4.442 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508746165 917503917 /nfs/dbraw/zinc/50/39/17/917503917.db2.gz JYBCYJYFVLVZQA-NHCUHLMSSA-N 1 0 411.594 4.389 20 30 HIEDRO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000508789088 917545550 /nfs/dbraw/zinc/54/55/50/917545550.db2.gz GFZREYVNNTUUKO-HSZRJFAPSA-N 1 0 423.605 4.087 20 30 HIEDRO C=CCn1c(CCCc2cccs2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508791239 917547532 /nfs/dbraw/zinc/54/75/32/917547532.db2.gz ADHSIXKKCYTCRG-GHTZIAJQSA-N 1 0 411.619 4.154 20 30 HIEDRO C=CCn1c([C@H]2CCCO2)nnc1N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000508828356 917582212 /nfs/dbraw/zinc/58/22/12/917582212.db2.gz PMILGVBQPLJOGL-JOCHJYFZSA-N 1 0 421.589 4.341 20 30 HIEDRO C=CCn1c(COc2ccccc2CC)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508847740 917600920 /nfs/dbraw/zinc/60/09/20/917600920.db2.gz LJOMTGQUYRBXBV-IFMALSPDSA-N 1 0 421.589 4.059 20 30 HIEDRO C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508873375 917627171 /nfs/dbraw/zinc/62/71/71/917627171.db2.gz MRDKZEUNWNFMMW-RXVVDRJESA-N 1 0 411.981 4.161 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508876787 917630514 /nfs/dbraw/zinc/63/05/14/917630514.db2.gz YSRQINRCCSURPT-RTWAWAEBSA-N 1 0 409.578 4.286 20 30 HIEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000508919505 917677061 /nfs/dbraw/zinc/67/70/61/917677061.db2.gz QVXKWEADMYCXOE-JOCHJYFZSA-N 1 0 423.605 4.300 20 30 HIEDRO C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508935190 917693280 /nfs/dbraw/zinc/69/32/80/917693280.db2.gz MEFHTZYBPKEFKW-UHFFFAOYSA-N 1 0 405.999 4.377 20 30 HIEDRO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000508954819 917711624 /nfs/dbraw/zinc/71/16/24/917711624.db2.gz YNQFHLQQNHYDSS-REWPJTCUSA-N 1 0 421.589 4.233 20 30 HIEDRO C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000509009414 917763266 /nfs/dbraw/zinc/76/32/66/917763266.db2.gz BPCDEQUMYPMYQE-UHFFFAOYSA-N 1 0 418.545 4.098 20 30 HIEDRO COc1ccccc1C[N@H+](CCO)Cc1cccc(OCc2ccccc2C#N)c1 ZINC000509115182 917851550 /nfs/dbraw/zinc/85/15/50/917851550.db2.gz YPXHFVXZCGIIEM-UHFFFAOYSA-N 1 0 402.494 4.140 20 30 HIEDRO Cc1c(C#N)cccc1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000509124363 917856828 /nfs/dbraw/zinc/85/68/28/917856828.db2.gz OHNGRAMSHBBNTN-UHFFFAOYSA-N 1 0 401.432 4.234 20 30 HIEDRO COC(=O)C[C@@](C)([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)c1ccccn1 ZINC000509124357 917857200 /nfs/dbraw/zinc/85/72/00/917857200.db2.gz MTDYYEGONDNMAQ-RUZDIDTESA-N 1 0 413.521 4.349 20 30 HIEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@H](c2cc(F)ccc2F)C(F)F)[C@H](C(F)(F)F)C1 ZINC000509197143 917901406 /nfs/dbraw/zinc/90/14/06/917901406.db2.gz QWCVFXOWPFQZOK-YRGRVCCFSA-N 1 0 414.365 4.296 20 30 HIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1OC ZINC000509381476 918048795 /nfs/dbraw/zinc/04/87/95/918048795.db2.gz YTYXHNGYQUXGLG-KRWDZBQOSA-N 1 0 415.921 4.159 20 30 HIEDRO CC[N@@H+]1CCC[C@@H](CN(C)c2c(C#N)cnc3c(C)cc(F)cc32)[C@@H]1c1cnn(C)c1 ZINC000509624105 918271492 /nfs/dbraw/zinc/27/14/92/918271492.db2.gz HJNQWKGAIOGJKH-GAJHUEQPSA-N 1 0 420.536 4.197 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCCc3nn(C)cc32)cc1OCC ZINC000509950208 918546492 /nfs/dbraw/zinc/54/64/92/918546492.db2.gz ZJYAPJPBBOOPEE-KRWDZBQOSA-N 1 0 420.351 4.313 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000510092832 918657814 /nfs/dbraw/zinc/65/78/14/918657814.db2.gz CVTRIQYLOCYXPF-UHFFFAOYSA-N 1 0 420.513 4.451 20 30 HIEDRO COc1cccc(C2([NH2+]CC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)CC2)c1 ZINC000510126249 918685902 /nfs/dbraw/zinc/68/59/02/918685902.db2.gz AONYMJANNZWHPT-UHFFFAOYSA-N 1 0 414.509 4.192 20 30 HIEDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc(OC)c(OC)c1 ZINC000510252112 918787465 /nfs/dbraw/zinc/78/74/65/918787465.db2.gz DNZFFPQLMVDXDC-WQASXFKFSA-N 1 0 401.551 4.064 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC(CC(=O)N4CCCC4)CC3)c2)c1 ZINC000510500123 918949449 /nfs/dbraw/zinc/94/94/49/918949449.db2.gz CSBJUQHYDRZETO-UHFFFAOYSA-N 1 0 417.553 4.362 20 30 HIEDRO C[C@@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510551205 918997074 /nfs/dbraw/zinc/99/70/74/918997074.db2.gz OOVPLPJPVOOYDW-SJLPKXTDSA-N 1 0 407.480 4.009 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+](CCCO)[C@H]2CCc3ccccc32)sc2c1CCCC2 ZINC000510651123 919092486 /nfs/dbraw/zinc/09/24/86/919092486.db2.gz QTCJWJUBIFGMLP-NRFANRHFSA-N 1 0 423.582 4.199 20 30 HIEDRO N#Cc1ccc(OC(F)F)c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000510841365 919324089 /nfs/dbraw/zinc/32/40/89/919324089.db2.gz KCYTVMQFTJNOOC-INIZCTEOSA-N 1 0 421.394 4.256 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC000511389709 919994944 /nfs/dbraw/zinc/99/49/44/919994944.db2.gz DWZXTWZNADRHJE-LJQANCHMSA-N 1 0 420.557 4.156 20 30 HIEDRO N#CCCN(C(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21)c1cccc(Cl)c1 ZINC000511670222 920336772 /nfs/dbraw/zinc/33/67/72/920336772.db2.gz GVMAJCJGHNLWFL-XPWALMASSA-N 1 0 423.944 4.091 20 30 HIEDRO N#CCCN(C(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21)c1cccc(Cl)c1 ZINC000511670221 920337265 /nfs/dbraw/zinc/33/72/65/920337265.db2.gz GVMAJCJGHNLWFL-VJBWXMMDSA-N 1 0 423.944 4.091 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000511680685 920343737 /nfs/dbraw/zinc/34/37/37/920343737.db2.gz JIKQOBNZWRKUCA-URVUXULASA-N 1 0 408.567 4.408 20 30 HIEDRO N#Cc1cccc(F)c1CC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000511714950 920380986 /nfs/dbraw/zinc/38/09/86/920380986.db2.gz XFKWRMWTLRSEEI-UHFFFAOYSA-N 1 0 407.533 4.091 20 30 HIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000511750204 920428283 /nfs/dbraw/zinc/42/82/83/920428283.db2.gz AWLQUVYBWYHDPO-QHCPKHFHSA-N 1 0 414.509 4.244 20 30 HIEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000511807722 920503239 /nfs/dbraw/zinc/50/32/39/920503239.db2.gz FCINUOKXZBHRDU-PMACEKPBSA-N 1 0 422.472 4.277 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cccc(Oc2ccc(Cl)c(Cl)c2)n1 ZINC000511835727 920545193 /nfs/dbraw/zinc/54/51/93/920545193.db2.gz ULNUIGWOPYQARJ-UHFFFAOYSA-N 1 0 421.328 4.488 20 30 HIEDRO C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(C#N)cc1 ZINC000512019598 920794144 /nfs/dbraw/zinc/79/41/44/920794144.db2.gz IABXTCURSOWTSV-MGPUTAFESA-N 1 0 416.447 4.212 20 30 HIEDRO COc1ccc(C2(C[NH2+][C@@H](C)C(=O)Nc3ccccc3C#N)CCCCC2)cc1OC ZINC000512233797 920987594 /nfs/dbraw/zinc/98/75/94/920987594.db2.gz LGOKKJITWCJYNF-SFHVURJKSA-N 1 0 421.541 4.394 20 30 HIEDRO N#CCCCOc1cccc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)c1 ZINC000512256223 921014231 /nfs/dbraw/zinc/01/42/31/921014231.db2.gz ARCBTBHEYNDZMH-UHFFFAOYSA-N 1 0 403.526 4.170 20 30 HIEDRO N#Cc1ccccc1OCc1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000513450428 921817104 /nfs/dbraw/zinc/81/71/04/921817104.db2.gz AOAQBWVNGWVLJI-QFIPXVFZSA-N 1 0 415.493 4.297 20 30 HIEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000513513581 921859775 /nfs/dbraw/zinc/85/97/75/921859775.db2.gz FXJYYORKQVYBKM-DEOSSOPVSA-N 1 0 405.546 4.245 20 30 HIEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000513513588 921860014 /nfs/dbraw/zinc/86/00/14/921860014.db2.gz FXJYYORKQVYBKM-XMMPIXPASA-N 1 0 405.546 4.245 20 30 HIEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(c1ccccc1)c1ccccc1 ZINC000513784354 922110932 /nfs/dbraw/zinc/11/09/32/922110932.db2.gz PSMWBRUZXDLFRK-IBGZPJMESA-N 1 0 404.535 4.142 20 30 HIEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000514034044 922355159 /nfs/dbraw/zinc/35/51/59/922355159.db2.gz BZNZWIUFIUSOGE-UHFFFAOYSA-N 1 0 408.521 4.285 20 30 HIEDRO CCC1(CNC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000514053692 922374077 /nfs/dbraw/zinc/37/40/77/922374077.db2.gz ZAUIQDDFSPNUCO-FQEVSTJZSA-N 1 0 405.542 4.134 20 30 HIEDRO C=CCc1cc(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)cc(OC)c1OC ZINC000514217684 922552768 /nfs/dbraw/zinc/55/27/68/922552768.db2.gz FCNWSIJYQXLONB-QFIPXVFZSA-N 1 0 423.557 4.069 20 30 HIEDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)ccc1OCC(C)C ZINC000514786859 922802289 /nfs/dbraw/zinc/80/22/89/922802289.db2.gz UIEOPXSHJDPKIJ-ZWKOTPCHSA-N 1 0 401.551 4.112 20 30 HIEDRO C[C@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)C(=O)N(CCC#N)c1ccccc1 ZINC000514820656 922813956 /nfs/dbraw/zinc/81/39/56/922813956.db2.gz VBYPGMVTDRFAOC-CVDCTZTESA-N 1 0 403.526 4.006 20 30 HIEDRO C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000514850681 922823781 /nfs/dbraw/zinc/82/37/81/922823781.db2.gz BWZPJINDRGCZJQ-MHECFPHRSA-N 1 0 414.553 4.486 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)cc1 ZINC000515509948 923142768 /nfs/dbraw/zinc/14/27/68/923142768.db2.gz DVIAZFIDHUYVQM-QFIPXVFZSA-N 1 0 409.505 4.178 20 30 HIEDRO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cccc(COc4ccccc4C#N)c3)n1)OC2 ZINC000517202672 924049471 /nfs/dbraw/zinc/04/94/71/924049471.db2.gz RORIYYZWEMHTDP-XUZZJYLKSA-N 1 0 416.481 4.113 20 30 HIEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000517540116 924253672 /nfs/dbraw/zinc/25/36/72/924253672.db2.gz NTLQHGQJWGWPPC-LAUBAEHRSA-N 1 0 415.459 4.192 20 30 HIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)cc1Cl ZINC000517550540 924259689 /nfs/dbraw/zinc/25/96/89/924259689.db2.gz AXVOKJQIVSLTKA-NRFANRHFSA-N 1 0 404.913 4.207 20 30 HIEDRO CC(C)(CCC#N)C[NH+]1CC(C(=O)N2CC(C)(C)c3cc(N4CCCC4)ccc32)C1 ZINC000517588877 926698837 /nfs/dbraw/zinc/69/88/37/926698837.db2.gz RRONCBIJDPXPIW-UHFFFAOYSA-N 1 0 408.590 4.173 20 30 HIEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000517714459 926809977 /nfs/dbraw/zinc/80/99/77/926809977.db2.gz NLFMWUUEJIPZSO-RXVVDRJESA-N 1 0 422.573 4.090 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NC2(c3cccc(Br)c3)CCC2)CC1 ZINC000518001320 926941109 /nfs/dbraw/zinc/94/11/09/926941109.db2.gz BNXKWWFJHPHKDW-UHFFFAOYSA-N 1 0 406.368 4.168 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000518168884 927060801 /nfs/dbraw/zinc/06/08/01/927060801.db2.gz NDBFHHLDQDEDDG-QGZVFWFLSA-N 1 0 409.559 4.119 20 30 HIEDRO C=CCN1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000518286623 927146236 /nfs/dbraw/zinc/14/62/36/927146236.db2.gz DHAQYBSSJFDKLV-UHFFFAOYSA-N 1 0 416.569 4.347 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c1C#N ZINC000518290450 927148418 /nfs/dbraw/zinc/14/84/18/927148418.db2.gz JECDTTXJEVRFRR-OAHLLOKOSA-N 1 0 408.571 4.412 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)CC1 ZINC000518496853 927309215 /nfs/dbraw/zinc/30/92/15/927309215.db2.gz KALMUZALPANITD-UHFFFAOYSA-N 1 0 415.534 4.218 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)cc1OCC ZINC000518838056 927538025 /nfs/dbraw/zinc/53/80/25/927538025.db2.gz JHPBMBWZKKRDGY-MRXNPFEDSA-N 1 0 420.351 4.136 20 30 HIEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cc(OC)c1O ZINC000519721550 928056681 /nfs/dbraw/zinc/05/66/81/928056681.db2.gz HUORKQIUZSAQFE-MRXNPFEDSA-N 1 0 409.452 4.261 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000519879957 928114253 /nfs/dbraw/zinc/11/42/53/928114253.db2.gz UDYANPCEFUOLQR-XMMPIXPASA-N 1 0 418.541 4.102 20 30 HIEDRO CC(C)[N@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000519908169 928141605 /nfs/dbraw/zinc/14/16/05/928141605.db2.gz KEKXFGZBHRQBHU-UHFFFAOYSA-N 1 0 403.448 4.360 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1c(Cl)cccc1Cl ZINC000519926553 928157917 /nfs/dbraw/zinc/15/79/17/928157917.db2.gz SFPFFRKBXRIVPV-UHFFFAOYSA-N 1 0 405.329 4.138 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC(C)(C)c2ccccc21 ZINC000519926469 928159089 /nfs/dbraw/zinc/15/90/89/928159089.db2.gz HDCWYOQYAZVUIT-QHCPKHFHSA-N 1 0 404.558 4.444 20 30 HIEDRO COc1cccc([C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)[NH+]2CCCC2)c1 ZINC000520475627 928589246 /nfs/dbraw/zinc/58/92/46/928589246.db2.gz XWKRFEFPNRNWEF-XMMPIXPASA-N 1 0 420.557 4.324 20 30 HIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1Cl ZINC000520953110 928887422 /nfs/dbraw/zinc/88/74/22/928887422.db2.gz RNAUUUJHEYUQQI-UHFFFAOYSA-N 1 0 422.978 4.225 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cccc(NC(=O)CCCc3cccs3)c2)CC1 ZINC000521576898 929307212 /nfs/dbraw/zinc/30/72/12/929307212.db2.gz SXDKAYYFTHVWHQ-UHFFFAOYSA-N 1 0 411.571 4.090 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000521676714 929360051 /nfs/dbraw/zinc/36/00/51/929360051.db2.gz TVXVYHKTVOPPRU-UHFFFAOYSA-N 1 0 400.473 4.362 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000521721995 929389589 /nfs/dbraw/zinc/38/95/89/929389589.db2.gz ZZZVXZPEAZAOEW-FQEVSTJZSA-N 1 0 411.477 4.161 20 30 HIEDRO N#Cc1cccc(OC2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3F)CC2)c1 ZINC000524666569 929781407 /nfs/dbraw/zinc/78/14/07/929781407.db2.gz DPSPXYLKVHGIPM-UHFFFAOYSA-N 1 0 401.869 4.223 20 30 HIEDRO C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(C#N)cc1 ZINC000524671577 929786046 /nfs/dbraw/zinc/78/60/46/929786046.db2.gz VXOWYKQXTPDLHJ-QGZVFWFLSA-N 1 0 410.949 4.484 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(Br)cc3F)C2)c(F)c1 ZINC000524688131 929799658 /nfs/dbraw/zinc/79/96/58/929799658.db2.gz ZTWWJMYSYUFRAB-MRXNPFEDSA-N 1 0 406.274 4.358 20 30 HIEDRO C=CC[N@H+](Cc1ccccc1OCC(F)(F)F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000524756070 929819792 /nfs/dbraw/zinc/81/97/92/929819792.db2.gz WKOCYHBECYFVAO-INIZCTEOSA-N 1 0 417.435 4.353 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](Cc3cc(Cl)ccc3OC)C2)CC1 ZINC000524946769 929908120 /nfs/dbraw/zinc/90/81/20/929908120.db2.gz KDGOMHNYTOSDAU-SFHVURJKSA-N 1 0 419.997 4.353 20 30 HIEDRO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000524993299 929960775 /nfs/dbraw/zinc/96/07/75/929960775.db2.gz LXQOCJWJYBJEHW-HYFFOGBASA-N 1 0 405.970 4.046 20 30 HIEDRO C[C@](CO)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCCC1 ZINC000525408355 930223562 /nfs/dbraw/zinc/22/35/62/930223562.db2.gz BOPFYAQRAYWRLK-JOCHJYFZSA-N 1 0 403.592 4.138 20 30 HIEDRO C=CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1OC ZINC000525570776 930336542 /nfs/dbraw/zinc/33/65/42/930336542.db2.gz UDSWQXSNHHCQMA-UWJYYQICSA-N 1 0 400.544 4.134 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)cc1OC ZINC000525708810 930411958 /nfs/dbraw/zinc/41/19/58/930411958.db2.gz CONLHVWPWKXMOT-GDIGMMSISA-N 1 0 410.352 4.316 20 30 HIEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(OC)c(OCCCC#N)c3)ccc2NC1=O ZINC000525802570 930449724 /nfs/dbraw/zinc/44/97/24/930449724.db2.gz WEEPWQGUSMZTKM-OXJNMPFZSA-N 1 0 423.513 4.338 20 30 HIEDRO COc1ccc([C@@H](CCn2cncn2)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000527109567 930593395 /nfs/dbraw/zinc/59/33/95/930593395.db2.gz SYAQDKGSECAQJW-OAQYLSRUSA-N 1 0 414.431 4.078 20 30 HIEDRO Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(C[NH+]4CCCCCC4)cc3)CC2)o1 ZINC000527529983 930674792 /nfs/dbraw/zinc/67/47/92/930674792.db2.gz FRJSHDGNNKZNRH-UHFFFAOYSA-N 1 0 421.545 4.086 20 30 HIEDRO N#Cc1cccc(CC(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000530676661 930795327 /nfs/dbraw/zinc/79/53/27/930795327.db2.gz QGXBSYLWRWDZDS-NRFANRHFSA-N 1 0 415.459 4.014 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)Cc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000530908059 930856182 /nfs/dbraw/zinc/85/61/82/930856182.db2.gz TZAWAGDDPKMPJJ-HXUWFJFHSA-N 1 0 403.448 4.319 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCOc2ccc(C(F)(F)F)cn2)c(-c2ccccc2)n1 ZINC000531610342 931124384 /nfs/dbraw/zinc/12/43/84/931124384.db2.gz PRGGOMIAODJGEG-UHFFFAOYSA-N 1 0 415.419 4.046 20 30 HIEDRO CCOc1ccc([C@@H](C)NC(=O)C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000531642821 931136628 /nfs/dbraw/zinc/13/66/28/931136628.db2.gz NJZGGLWMTFOMCJ-MSOLQXFVSA-N 1 0 409.530 4.226 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc(C#N)cc1 ZINC000531695243 931158491 /nfs/dbraw/zinc/15/84/91/931158491.db2.gz BWLGEGUMDZPUHR-SJORKVTESA-N 1 0 409.511 4.042 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCN(C(=O)C4CCCCC4)C3)c2)c1 ZINC000531863605 931226481 /nfs/dbraw/zinc/22/64/81/931226481.db2.gz GOHDLUMZNYSWEC-XMMPIXPASA-N 1 0 417.553 4.408 20 30 HIEDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000531970373 931270692 /nfs/dbraw/zinc/27/06/92/931270692.db2.gz WAHWMBJUBRFRBB-PXNSSMCTSA-N 1 0 408.521 4.235 20 30 HIEDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000531970374 931270705 /nfs/dbraw/zinc/27/07/05/931270705.db2.gz WAHWMBJUBRFRBB-XLIONFOSSA-N 1 0 408.521 4.235 20 30 HIEDRO COc1cccc(C[C@@H]2CCC[N@@H+]2CC(=O)c2cn(CCC#N)c3ccccc23)c1 ZINC000532492829 931460102 /nfs/dbraw/zinc/46/01/02/931460102.db2.gz MMPXWYSVBDOJPP-FQEVSTJZSA-N 1 0 401.510 4.453 20 30 HIEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000532590549 931548405 /nfs/dbraw/zinc/54/84/05/931548405.db2.gz NQNGICFPERMLGM-VWNXMTODSA-N 1 0 415.537 4.226 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+]C2(c3ccccc3)CCOCC2)ccc1Cl ZINC000532707984 931599103 /nfs/dbraw/zinc/59/91/03/931599103.db2.gz KLQYIOUIQFBZHF-UHFFFAOYSA-N 1 0 411.933 4.191 20 30 HIEDRO CC(C)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(C#N)cc1 ZINC000533254936 931820238 /nfs/dbraw/zinc/82/02/38/931820238.db2.gz HTDXUNDIUKAJKO-UHFFFAOYSA-N 1 0 406.555 4.467 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)C[C@@H](C)c2ccccc2)c1C#N ZINC000533263461 931823291 /nfs/dbraw/zinc/82/32/91/931823291.db2.gz GLTKWBAFJSWDGZ-QGZVFWFLSA-N 1 0 404.514 4.292 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)c(C#N)c1C ZINC000533279078 931825784 /nfs/dbraw/zinc/82/57/84/931825784.db2.gz AIXOYBMZELOSBI-HNNXBMFYSA-N 1 0 423.492 4.189 20 30 HIEDRO C=CC1CC[NH+](CC(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000533287151 931828189 /nfs/dbraw/zinc/82/81/89/931828189.db2.gz MJLCHFSUEKQBAU-LJQANCHMSA-N 1 0 405.542 4.356 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000533374836 931852674 /nfs/dbraw/zinc/85/26/74/931852674.db2.gz CWRZMOFXANTETN-HAGHYFMRSA-N 1 0 414.619 4.357 20 30 HIEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000533379932 931853544 /nfs/dbraw/zinc/85/35/44/931853544.db2.gz AASMPZIJPIWIFD-SFHVURJKSA-N 1 0 401.514 4.078 20 30 HIEDRO COc1ccc([C@H]([NH2+]CCC(=O)Nc2sccc2C#N)c2ccc(F)cc2)cc1 ZINC000533514095 931891107 /nfs/dbraw/zinc/89/11/07/931891107.db2.gz CFDRTHGTLHRPSD-OAQYLSRUSA-N 1 0 409.486 4.475 20 30 HIEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000533531154 931895391 /nfs/dbraw/zinc/89/53/91/931895391.db2.gz PFAGRVUDYJZJNE-OAHLLOKOSA-N 1 0 424.372 4.233 20 30 HIEDRO N#Cc1ccc(SCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)c(Cl)c1 ZINC000533635558 931937798 /nfs/dbraw/zinc/93/77/98/931937798.db2.gz HAHXZTDUVSDVOI-UHFFFAOYSA-N 1 0 417.987 4.491 20 30 HIEDRO N#Cc1c(NC(=O)C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)sc2c1CCCCC2 ZINC000533646247 931941671 /nfs/dbraw/zinc/94/16/71/931941671.db2.gz LPDRNHVJENWWRM-NRFANRHFSA-N 1 0 423.582 4.100 20 30 HIEDRO Cc1c(Br)cccc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000534179106 932318453 /nfs/dbraw/zinc/31/84/53/932318453.db2.gz OMQSXXQPDZGBAG-UHFFFAOYSA-N 1 0 412.331 4.480 20 30 HIEDRO C[N@@H+]1CC[C@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534245220 932361969 /nfs/dbraw/zinc/36/19/69/932361969.db2.gz BUIBZOIGOMTEGT-DYESRHJHSA-N 1 0 411.908 4.192 20 30 HIEDRO C=CCc1cc(C[NH2+][C@H](CC)[C@@H](c2ccc(C)cc2)n2cncn2)cc(OC)c1O ZINC000534450251 932465264 /nfs/dbraw/zinc/46/52/64/932465264.db2.gz GIVJFYIZBJEOHC-FYYLOGMGSA-N 1 0 406.530 4.187 20 30 HIEDRO COC(=O)c1cccc(C[NH+]2CCC(c3c[nH]c4ccc(OC)cc43)CC2)c1C#N ZINC000534488213 932527000 /nfs/dbraw/zinc/52/70/00/932527000.db2.gz ZPOUYRLKXURYDR-UHFFFAOYSA-N 1 0 403.482 4.214 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(C#N)c1C ZINC000535676978 933326231 /nfs/dbraw/zinc/32/62/31/933326231.db2.gz SVIIVYVQWPUHLJ-IBGZPJMESA-N 1 0 420.557 4.083 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccnc(OCc4ccccc4)c3)CC2)cc1 ZINC000537296980 933703708 /nfs/dbraw/zinc/70/37/08/933703708.db2.gz IEYPKXSKNOUGAL-UHFFFAOYSA-N 1 0 412.537 4.286 20 30 HIEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2Oc2ccccc2C#N)[C@H](C)C1 ZINC000537574488 938327809 /nfs/dbraw/zinc/32/78/09/938327809.db2.gz PCCAGDRONLNBLX-DENIHFKCSA-N 1 0 421.541 4.217 20 30 HIEDRO COCc1cccc(OCC2(C[NH+]3CCC(Oc4cccc(C#N)c4)CC3)CC2)c1 ZINC000537680655 938352725 /nfs/dbraw/zinc/35/27/25/938352725.db2.gz QWMFKVNKRBHJHU-UHFFFAOYSA-N 1 0 406.526 4.407 20 30 HIEDRO COCCOc1cc2c(cc1C[NH2+]Cc1ccc(-c3ccccc3C#N)cc1)OCO2 ZINC000538003223 938458591 /nfs/dbraw/zinc/45/85/91/938458591.db2.gz YGRMTGRJBHYXGR-UHFFFAOYSA-N 1 0 416.477 4.269 20 30 HIEDRO C[C@@H](Nc1cccc(CC[N@H+](C)C2CC2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000538138665 938517271 /nfs/dbraw/zinc/51/72/71/938517271.db2.gz DRGAKMSXRRDRQA-OAHLLOKOSA-N 1 0 408.571 4.184 20 30 HIEDRO COc1cc(C#N)ccc1C[NH2+][C@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000538149802 938521888 /nfs/dbraw/zinc/52/18/88/938521888.db2.gz FKWRVQSBYDZQGF-QGZVFWFLSA-N 1 0 403.482 4.400 20 30 HIEDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)ccc1OC1CCCC1 ZINC000538155431 938526266 /nfs/dbraw/zinc/52/62/66/938526266.db2.gz MELBVTNNEDDAGU-YGKZAACZSA-N 1 0 401.551 4.110 20 30 HIEDRO COc1ccc(C[C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)c2ccccc2)cc1OC ZINC000538157799 938527704 /nfs/dbraw/zinc/52/77/04/938527704.db2.gz DRRIEGRNRHSDEK-QFIPXVFZSA-N 1 0 415.493 4.088 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)ccc1Cl ZINC000538188330 938544433 /nfs/dbraw/zinc/54/44/33/938544433.db2.gz SIHPTXNFLHNIAP-GOSISDBHSA-N 1 0 421.932 4.432 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000538390945 938609559 /nfs/dbraw/zinc/60/95/59/938609559.db2.gz HAVPGDPBHZZBOU-VWLOTQADSA-N 1 0 419.525 4.062 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCCN(Cc4c(F)cccc4F)C3)CC2)cc1 ZINC000538395397 938610790 /nfs/dbraw/zinc/61/07/90/938610790.db2.gz MSOYHPCDMBDMCP-QFIPXVFZSA-N 1 0 424.539 4.055 20 30 HIEDRO C[C@H]([NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000538507986 938638291 /nfs/dbraw/zinc/63/82/91/938638291.db2.gz PQJYOOAXFDHCIM-YCRPNKLZSA-N 1 0 421.438 4.440 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1Cl ZINC000563475024 945195431 /nfs/dbraw/zinc/19/54/31/945195431.db2.gz IXDSFQQQRMTJKK-OAHLLOKOSA-N 1 0 404.860 4.328 20 30 HIEDRO N#CC1(c2ccccc2)CCC(Nc2ccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000538834370 938722419 /nfs/dbraw/zinc/72/24/19/938722419.db2.gz OSYGISUNSVOYSY-NGYDJQAMSA-N 1 0 416.569 4.200 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cc(Cl)sc3Cl)CC2)cc1 ZINC000538911911 938736697 /nfs/dbraw/zinc/73/66/97/938736697.db2.gz XQJXONGNTHLLQQ-UHFFFAOYSA-N 1 0 423.369 4.344 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@H+](C)[C@@H](C)[C@@H]3C)sc2C1 ZINC000538946106 938744078 /nfs/dbraw/zinc/74/40/78/938744078.db2.gz LWJWLTKOCOAERB-YESZJQIVSA-N 1 0 416.635 4.124 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@H+](C)[C@H](C)[C@@H]3C)sc2C1 ZINC000538946105 938744285 /nfs/dbraw/zinc/74/42/85/938744285.db2.gz LWJWLTKOCOAERB-IXDOHACOSA-N 1 0 416.635 4.124 20 30 HIEDRO C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000539083499 938799032 /nfs/dbraw/zinc/79/90/32/938799032.db2.gz ZSILGGWBJGQKIB-OGWCMUGUSA-N 1 0 419.569 4.300 20 30 HIEDRO CC(C)Oc1cccc([C@H](C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000539227587 938822132 /nfs/dbraw/zinc/82/21/32/938822132.db2.gz RNJVOPSQCWEMQJ-KRWDZBQOSA-N 1 0 418.459 4.311 20 30 HIEDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1OC ZINC000539269163 938830727 /nfs/dbraw/zinc/83/07/27/938830727.db2.gz SHXBNABKIFZPNF-QKBUSNMPSA-N 1 0 401.551 4.064 20 30 HIEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)c1 ZINC000539279245 938832447 /nfs/dbraw/zinc/83/24/47/938832447.db2.gz BOSUQBVWGGDELC-OAQYLSRUSA-N 1 0 412.331 4.068 20 30 HIEDRO COc1cc([C@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)ccc1OCCC(C)C ZINC000539279375 938832495 /nfs/dbraw/zinc/83/24/95/938832495.db2.gz NWUCKZJNHYOBOA-SFHVURJKSA-N 1 0 401.551 4.113 20 30 HIEDRO Cc1nc(C(=O)Nc2ccc(C[N@@H+](C[C@@H]3CCCCO3)C(C)C)cc2)ccc1C#N ZINC000539321007 938840866 /nfs/dbraw/zinc/84/08/66/938840866.db2.gz YHADUVMYKVNANE-QFIPXVFZSA-N 1 0 406.530 4.294 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000539334433 938843522 /nfs/dbraw/zinc/84/35/22/938843522.db2.gz WTWXSBZINNSRGE-QPPBQGQZSA-N 1 0 405.542 4.308 20 30 HIEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CC#Cc3ccc(OC(F)(F)F)cc3)ccc2NC1=O ZINC000539359170 938848233 /nfs/dbraw/zinc/84/82/33/938848233.db2.gz FAKIPEYKBIROJX-KUHUBIRLSA-N 1 0 418.415 4.397 20 30 HIEDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc1[N+](=O)[O-] ZINC000539376314 938851190 /nfs/dbraw/zinc/85/11/90/938851190.db2.gz AYOBYNJVNMTJDU-INIZCTEOSA-N 1 0 414.893 4.463 20 30 HIEDRO CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000539497334 938868937 /nfs/dbraw/zinc/86/89/37/938868937.db2.gz DQVXGCNDOYERHV-UHFFFAOYSA-N 1 0 405.542 4.268 20 30 HIEDRO C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1ccc(C#N)c(F)c1 ZINC000539608407 938887599 /nfs/dbraw/zinc/88/75/99/938887599.db2.gz JVZHOCUYDFIKDT-CQSZACIVSA-N 1 0 418.310 4.159 20 30 HIEDRO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000539827874 938948829 /nfs/dbraw/zinc/94/88/29/938948829.db2.gz LXKLAWYPRPZZDM-HSZRJFAPSA-N 1 0 413.525 4.091 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1OC ZINC000539899157 938972026 /nfs/dbraw/zinc/97/20/26/938972026.db2.gz ADUOUCXIUPXUPL-IAGOWNOFSA-N 1 0 410.352 4.271 20 30 HIEDRO CC[N@H+](CCC(=O)N(C)CCC#N)[C@@H]1CCSc2ccc(Br)cc21 ZINC000540052814 939051199 /nfs/dbraw/zinc/05/11/99/939051199.db2.gz JFMVGBGGVGJMID-MRXNPFEDSA-N 1 0 410.381 4.070 20 30 HIEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000540309944 939189831 /nfs/dbraw/zinc/18/98/31/939189831.db2.gz YPTVWDVRNBQXFH-RDGATRHJSA-N 1 0 414.553 4.384 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000540353728 939205105 /nfs/dbraw/zinc/20/51/05/939205105.db2.gz FEQGDUIIGHKHOU-SNTJIJGESA-N 1 0 410.562 4.005 20 30 HIEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](CCCO)c2ccccc2)c1C#N ZINC000540394533 939232473 /nfs/dbraw/zinc/23/24/73/939232473.db2.gz WDJBUWBLBFTBND-QHCPKHFHSA-N 1 0 416.525 4.008 20 30 HIEDRO COCCSc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000540405083 939236574 /nfs/dbraw/zinc/23/65/74/939236574.db2.gz UMCRWMWDNMLOFA-AWEZNQCLSA-N 1 0 403.935 4.239 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000540476627 939268283 /nfs/dbraw/zinc/26/82/83/939268283.db2.gz IPRZQTYLDVMRJG-PMACEKPBSA-N 1 0 420.557 4.281 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)CC2)cc1 ZINC000540591104 939312903 /nfs/dbraw/zinc/31/29/03/939312903.db2.gz GLYDHRRMJXEUKG-VWLOTQADSA-N 1 0 403.526 4.035 20 30 HIEDRO C[C@@H]([NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc(C#N)cc1 ZINC000540595096 939314170 /nfs/dbraw/zinc/31/41/70/939314170.db2.gz UODQQVWJZBFHFZ-IERDGZPVSA-N 1 0 403.448 4.301 20 30 HIEDRO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540595833 939314812 /nfs/dbraw/zinc/31/48/12/939314812.db2.gz FNXZWYVMIJKYJM-QFQXNSOFSA-N 1 0 402.586 4.023 20 30 HIEDRO C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000540706536 939344654 /nfs/dbraw/zinc/34/46/54/939344654.db2.gz BSDSUICFGIFMJZ-AWEZNQCLSA-N 1 0 418.310 4.147 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(C#N)cc1 ZINC000540778780 939369217 /nfs/dbraw/zinc/36/92/17/939369217.db2.gz HUORLAWUQKJBPG-YWZLYKJASA-N 1 0 401.432 4.419 20 30 HIEDRO COc1cc(C#N)ccc1C[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000540838471 939390461 /nfs/dbraw/zinc/39/04/61/939390461.db2.gz URRCCSSCJQYBKY-UHFFFAOYSA-N 1 0 420.431 4.035 20 30 HIEDRO COc1cccc(S(=O)(=O)CC[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000541085932 939454681 /nfs/dbraw/zinc/45/46/81/939454681.db2.gz ZCWAUFFVVRHBSU-SFHVURJKSA-N 1 0 420.534 4.358 20 30 HIEDRO C[C@@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541117055 939465692 /nfs/dbraw/zinc/46/56/92/939465692.db2.gz GEJUWCKGUZSSLR-HXOBKFHXSA-N 1 0 408.571 4.023 20 30 HIEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)s2)cc1 ZINC000541640175 939582106 /nfs/dbraw/zinc/58/21/06/939582106.db2.gz NFZCCLDEUDAHQQ-DDVAMESESA-N 1 0 414.575 4.221 20 30 HIEDRO CN1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1c1cccs1 ZINC000541910180 939651709 /nfs/dbraw/zinc/65/17/09/939651709.db2.gz CIZDRDPGZKWZDB-XUZZJYLKSA-N 1 0 408.615 4.257 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)CN[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1Cl ZINC000542529687 939837945 /nfs/dbraw/zinc/83/79/45/939837945.db2.gz PCDCPUCGJSYAHB-MOPGFXCFSA-N 1 0 416.997 4.138 20 30 HIEDRO CS(=O)(=O)c1cccc(Cl)c1C[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000542717651 939856278 /nfs/dbraw/zinc/85/62/78/939856278.db2.gz GOUCSHOZYUEAKH-UHFFFAOYSA-N 1 0 418.946 4.095 20 30 HIEDRO CCc1ccc([C@H](CO)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000542914396 939876795 /nfs/dbraw/zinc/87/67/95/939876795.db2.gz UTLNHVIXGXWNQH-FQEVSTJZSA-N 1 0 411.571 4.103 20 30 HIEDRO N#Cc1ccc(C[N@@H+](CCC(=O)Nc2ccc(Br)cc2F)C2CC2)cc1 ZINC000543174751 939985359 /nfs/dbraw/zinc/98/53/59/939985359.db2.gz GUFWGBHUMCNGBB-UHFFFAOYSA-N 1 0 416.294 4.453 20 30 HIEDRO N#Cc1ccc(CN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C2CC2)cc1 ZINC000543299042 940022087 /nfs/dbraw/zinc/02/20/87/940022087.db2.gz ZGWRNUPRVUYQPJ-FQEVSTJZSA-N 1 0 408.571 4.206 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000543459546 940069381 /nfs/dbraw/zinc/06/93/81/940069381.db2.gz VYNCXFWGTRKMER-FDFHNCONSA-N 1 0 410.606 4.181 20 30 HIEDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)Nc3ccc(C#N)cc3)s2)cc1 ZINC000543498029 940085710 /nfs/dbraw/zinc/08/57/10/940085710.db2.gz UQZIXJIHWCGXGE-CQSZACIVSA-N 1 0 406.511 4.288 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)CC1 ZINC000543523469 940095975 /nfs/dbraw/zinc/09/59/75/940095975.db2.gz VGMMNBZXFVOPKQ-UHFFFAOYSA-N 1 0 403.548 4.257 20 30 HIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1COc2ccccc21 ZINC000543555625 940106854 /nfs/dbraw/zinc/10/68/54/940106854.db2.gz VMPIWVYCAUOLNN-BEFAXECRSA-N 1 0 409.555 4.372 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(CCC(=O)N4CCCC4)cc3)CC2)cc1 ZINC000543759327 940177013 /nfs/dbraw/zinc/17/70/13/940177013.db2.gz JQIRKVWMHCOMCK-UHFFFAOYSA-N 1 0 416.569 4.190 20 30 HIEDRO C[C@H]1CN(c2ccccc2NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000543758896 940177203 /nfs/dbraw/zinc/17/72/03/940177203.db2.gz IZKXFHJOOHEEKW-PMACEKPBSA-N 1 0 404.558 4.248 20 30 HIEDRO CCOc1cc(C[NH+]2CCC(CC#N)CC2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000543779647 940184903 /nfs/dbraw/zinc/18/49/03/940184903.db2.gz GEKIYWUDNNCAMZ-UHFFFAOYSA-N 1 0 415.578 4.235 20 30 HIEDRO Cn1cc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000544031466 940305070 /nfs/dbraw/zinc/30/50/70/940305070.db2.gz IPCDJKFDUFBBJB-SFHVURJKSA-N 1 0 414.435 4.011 20 30 HIEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000563843331 945312129 /nfs/dbraw/zinc/31/21/29/945312129.db2.gz VHEFGKLGDYTITE-UHFFFAOYSA-N 1 0 415.969 4.151 20 30 HIEDRO N#CCc1ccc(C[NH+]2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000544121879 940331722 /nfs/dbraw/zinc/33/17/22/940331722.db2.gz PICUYGFZYQDOAV-UHFFFAOYSA-N 1 0 404.432 4.221 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)C(C)C ZINC000544231847 940362060 /nfs/dbraw/zinc/36/20/60/940362060.db2.gz WFVMEFCVOHAWFQ-FYYLOGMGSA-N 1 0 412.622 4.308 20 30 HIEDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000544412040 940416787 /nfs/dbraw/zinc/41/67/87/940416787.db2.gz MWTIROZQRZMEPT-KUHUBIRLSA-N 1 0 406.288 4.427 20 30 HIEDRO COc1ccccc1C[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C(C)C ZINC000544461068 940440861 /nfs/dbraw/zinc/44/08/61/940440861.db2.gz GSRLFSWKTRDXOJ-AVRDEDQJSA-N 1 0 411.521 4.326 20 30 HIEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](C)c2cnn(C(C)C)c2)c1C#N ZINC000544470005 940445471 /nfs/dbraw/zinc/44/54/71/940445471.db2.gz VINLJJJUCAAPJX-QGZVFWFLSA-N 1 0 404.518 4.033 20 30 HIEDRO CS[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H]1[NH+]1CCCC1 ZINC000545332456 940562183 /nfs/dbraw/zinc/56/21/83/940562183.db2.gz NIODXPAEIGBTSL-FCHUYYIVSA-N 1 0 407.539 4.002 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000548303331 941095012 /nfs/dbraw/zinc/09/50/12/941095012.db2.gz GUOHIHYMVCBJQH-UHFFFAOYSA-N 1 0 420.738 4.178 20 30 HIEDRO N#CC1(c2ccccn2)CC[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000548799217 941124545 /nfs/dbraw/zinc/12/45/45/941124545.db2.gz UIVNBXALPVJGPG-UHFFFAOYSA-N 1 0 424.548 4.235 20 30 HIEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000549060673 941150902 /nfs/dbraw/zinc/15/09/02/941150902.db2.gz VDCKPSFMDJQOQJ-IBGZPJMESA-N 1 0 406.578 4.318 20 30 HIEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)c2ccc(F)cc2F)CC1 ZINC000549273486 941176008 /nfs/dbraw/zinc/17/60/08/941176008.db2.gz ZAWQPYUAXKUSNP-MRXNPFEDSA-N 1 0 412.488 4.011 20 30 HIEDRO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000549322256 941179883 /nfs/dbraw/zinc/17/98/83/941179883.db2.gz NZKQHEKYILEYQZ-UHFFFAOYSA-N 1 0 413.997 4.411 20 30 HIEDRO CCN1CC[C@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549475170 941194123 /nfs/dbraw/zinc/19/41/23/941194123.db2.gz CUVHYBSWOOHETD-UNMCSNQZSA-N 1 0 414.912 4.104 20 30 HIEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000549680226 941204235 /nfs/dbraw/zinc/20/42/35/941204235.db2.gz CQJUIBVGIFHKKM-IBGZPJMESA-N 1 0 420.561 4.344 20 30 HIEDRO C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000549705733 941205261 /nfs/dbraw/zinc/20/52/61/941205261.db2.gz NKMDXEFJCXHOCJ-HXUWFJFHSA-N 1 0 416.573 4.442 20 30 HIEDRO N#Cc1ccc(Br)c(C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c1 ZINC000550190829 941296150 /nfs/dbraw/zinc/29/61/50/941296150.db2.gz MIVOJQZAMPGNBB-UHFFFAOYSA-N 1 0 403.295 4.341 20 30 HIEDRO C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1=O ZINC000550292258 941310013 /nfs/dbraw/zinc/31/00/13/941310013.db2.gz UDCVAVXDNMIZMP-JPYJTQIMSA-N 1 0 409.505 4.350 20 30 HIEDRO C=CCSc1ccccc1NC(=O)CN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000550308013 941312249 /nfs/dbraw/zinc/31/22/49/941312249.db2.gz YNMNNNJDWMLUJW-UHFFFAOYSA-N 1 0 401.620 4.491 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000550668687 941352403 /nfs/dbraw/zinc/35/24/03/941352403.db2.gz ASCIWCMOGQLPIR-UHFFFAOYSA-N 1 0 407.539 4.342 20 30 HIEDRO COc1ccc([C@H](CNC(=O)CSc2cccc(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000551092136 941408508 /nfs/dbraw/zinc/40/85/08/941408508.db2.gz RZDNOVYXPUPNGZ-QFIPXVFZSA-N 1 0 409.555 4.002 20 30 HIEDRO COc1ccc([C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[NH+]2CCCC2)cc1 ZINC000551165397 941420601 /nfs/dbraw/zinc/42/06/01/941420601.db2.gz DSKMPWGKQOLQRT-DEOSSOPVSA-N 1 0 418.541 4.078 20 30 HIEDRO C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000551813463 941550816 /nfs/dbraw/zinc/55/08/16/941550816.db2.gz UGQCRMFWCIYWAE-AWEZNQCLSA-N 1 0 403.404 4.453 20 30 HIEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000552276407 941620298 /nfs/dbraw/zinc/62/02/98/941620298.db2.gz WLUXFJPYCOUGHV-RXFWQSSRSA-N 1 0 419.569 4.442 20 30 HIEDRO C[C@H]1C[C@H](CCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000552372244 941647763 /nfs/dbraw/zinc/64/77/63/941647763.db2.gz ZUHQSJNFTJLDOE-ICSRJNTNSA-N 1 0 405.517 4.146 20 30 HIEDRO CC(C)[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000552947059 941806229 /nfs/dbraw/zinc/80/62/29/941806229.db2.gz HOYWFUYJABRRCI-FPOVZHCZSA-N 1 0 406.448 4.498 20 30 HIEDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1Br ZINC000553202444 941848165 /nfs/dbraw/zinc/84/81/65/941848165.db2.gz RQZFMTDCBBUCDF-NWDGAFQWSA-N 1 0 420.307 4.217 20 30 HIEDRO N#CCC[C@@H](NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000553681723 941943325 /nfs/dbraw/zinc/94/33/25/941943325.db2.gz YNJGYOSEDUCZJO-NOZRDPDXSA-N 1 0 402.542 4.339 20 30 HIEDRO C[C@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC[N@@H+](C2CCC2)C1 ZINC000553865638 941987468 /nfs/dbraw/zinc/98/74/68/941987468.db2.gz VZBCKCJQEGOTPI-LJQANCHMSA-N 1 0 403.526 4.084 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000554294567 942094249 /nfs/dbraw/zinc/09/42/49/942094249.db2.gz MCHOXVWDXGNMQL-IRXDYDNUSA-N 1 0 402.560 4.328 20 30 HIEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000554399738 942126760 /nfs/dbraw/zinc/12/67/60/942126760.db2.gz JJNQUMPKDCVJIJ-WMZHIEFXSA-N 1 0 418.541 4.422 20 30 HIEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccco1 ZINC000554445340 942145993 /nfs/dbraw/zinc/14/59/93/942145993.db2.gz IKYWDEKNYKUHMV-GCJKJVERSA-N 1 0 402.498 4.325 20 30 HIEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000554634702 942181856 /nfs/dbraw/zinc/18/18/56/942181856.db2.gz XERCEUIZJYQQEP-SFHVURJKSA-N 1 0 415.557 4.300 20 30 HIEDRO Cc1nn(-c2ccc(F)cc2F)c(C)c1CN(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000554875142 942304040 /nfs/dbraw/zinc/30/40/40/942304040.db2.gz UBCKZZXJMMFDNY-UHFFFAOYSA-N 1 0 423.511 4.203 20 30 HIEDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3ccc(C#N)cc3OC(F)F)CCN2C2CC2)c1 ZINC000555131119 942395794 /nfs/dbraw/zinc/39/57/94/942395794.db2.gz ZIIXNGYSQRTNLP-IFMALSPDSA-N 1 0 413.468 4.236 20 30 HIEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000555241164 942442368 /nfs/dbraw/zinc/44/23/68/942442368.db2.gz ULDBYKKHCUVBNT-IBGZPJMESA-N 1 0 406.578 4.094 20 30 HIEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000555269788 942455883 /nfs/dbraw/zinc/45/58/83/942455883.db2.gz QOPUMLWPQTYNQI-LJQANCHMSA-N 1 0 419.577 4.079 20 30 HIEDRO N#Cc1ccc(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)cc1F ZINC000555545650 942636625 /nfs/dbraw/zinc/63/66/25/942636625.db2.gz AJICZVKWZPZKSP-UHFFFAOYSA-N 1 0 421.285 4.480 20 30 HIEDRO C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1=O ZINC000555608329 942667021 /nfs/dbraw/zinc/66/70/21/942667021.db2.gz FTHIGPVGQBVFPY-KOSHJBKYSA-N 1 0 420.532 4.008 20 30 HIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000556878555 942947955 /nfs/dbraw/zinc/94/79/55/942947955.db2.gz YSYINKGYCOWVKO-SONWIMMPSA-N 1 0 419.569 4.491 20 30 HIEDRO CN1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556884550 942950037 /nfs/dbraw/zinc/95/00/37/942950037.db2.gz CSYMINKJSTZSQN-GOTSBHOMSA-N 1 0 412.940 4.355 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000556914060 942964452 /nfs/dbraw/zinc/96/44/52/942964452.db2.gz XZSSZNGGPZWFOM-LJQANCHMSA-N 1 0 414.571 4.277 20 30 HIEDRO CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1cc(F)cc(C#N)c1 ZINC000556920521 942966560 /nfs/dbraw/zinc/96/65/60/942966560.db2.gz MUQPDHGYUOMLJT-XUZZJYLKSA-N 1 0 419.544 4.488 20 30 HIEDRO CC(C)(CO)[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1cccnc1 ZINC000556926102 942969250 /nfs/dbraw/zinc/96/92/50/942969250.db2.gz XFIHSVDCFSPQQS-XMMPIXPASA-N 1 0 401.510 4.382 20 30 HIEDRO COc1cccc([C@@H]2[C@@H](NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000556971226 942983884 /nfs/dbraw/zinc/98/38/84/942983884.db2.gz NAXJAFOGFGTYTA-XZOQPEGZSA-N 1 0 421.516 4.078 20 30 HIEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000556995719 942990154 /nfs/dbraw/zinc/99/01/54/942990154.db2.gz KSCDAGHSXBUIQQ-LJQANCHMSA-N 1 0 404.562 4.238 20 30 HIEDRO C[NH+](C)Cc1ccc(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)cc1 ZINC000557357556 943084984 /nfs/dbraw/zinc/08/49/84/943084984.db2.gz NAVQFBGBWISMBQ-UHFFFAOYSA-N 1 0 424.976 4.196 20 30 HIEDRO CCC[NH+]1CCC(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000557471698 943150505 /nfs/dbraw/zinc/15/05/05/943150505.db2.gz SRDXIUFNWLSMCF-UHFFFAOYSA-N 1 0 416.997 4.056 20 30 HIEDRO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000557521116 943188061 /nfs/dbraw/zinc/18/80/61/943188061.db2.gz LRUPPBOWICYXMZ-HXUWFJFHSA-N 1 0 410.514 4.430 20 30 HIEDRO COc1cc(OC)c2ncc(C#N)c(NC3CC[NH+]([C@H](C)c4ccncc4)CC3)c2c1 ZINC000557641986 943245816 /nfs/dbraw/zinc/24/58/16/943245816.db2.gz BBPNVVABOQSPEE-MRXNPFEDSA-N 1 0 417.513 4.156 20 30 HIEDRO C=CCC[C@@H](NC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccccc1 ZINC000557798683 943294988 /nfs/dbraw/zinc/29/49/88/943294988.db2.gz VRLUFDZIYBLWBL-HYBUGGRVSA-N 1 0 419.569 4.152 20 30 HIEDRO Cn1cc(C[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000558730949 943633862 /nfs/dbraw/zinc/63/38/62/943633862.db2.gz VSLBBGQIBISIOL-UHFFFAOYSA-N 1 0 415.516 4.125 20 30 HIEDRO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000558981815 943783943 /nfs/dbraw/zinc/78/39/43/943783943.db2.gz NLPUKIQQYVBONX-GOSISDBHSA-N 1 0 401.986 4.267 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000559000383 943797504 /nfs/dbraw/zinc/79/75/04/943797504.db2.gz DYALQZXOGCIJIR-OALUTQOASA-N 1 0 415.557 4.301 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000559011792 943803267 /nfs/dbraw/zinc/80/32/67/943803267.db2.gz WSWMTCLMTGKJFX-NRFANRHFSA-N 1 0 411.594 4.218 20 30 HIEDRO CC(C)N1CC[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000560257122 944209713 /nfs/dbraw/zinc/20/97/13/944209713.db2.gz LJBICHLPFYHKGL-UNMCSNQZSA-N 1 0 411.912 4.312 20 30 HIEDRO N#Cc1cccc(OCCCCC(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)c1 ZINC000560488904 944237921 /nfs/dbraw/zinc/23/79/21/944237921.db2.gz BDDXOENFSHGTFT-UHFFFAOYSA-N 1 0 414.509 4.004 20 30 HIEDRO Cc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c(OC[C@@H]2CCOC2)c1 ZINC000560525910 944242549 /nfs/dbraw/zinc/24/25/49/944242549.db2.gz ATJFJOMAUCPGIJ-OAQYLSRUSA-N 1 0 405.542 4.041 20 30 HIEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000560543164 944249202 /nfs/dbraw/zinc/24/92/02/944249202.db2.gz AOGYFQLYIAXTDV-LOSJGSFVSA-N 1 0 414.557 4.085 20 30 HIEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cc2)C1 ZINC000560551960 944251193 /nfs/dbraw/zinc/25/11/93/944251193.db2.gz UGSOYSPEVMYKRL-QGZVFWFLSA-N 1 0 409.505 4.334 20 30 HIEDRO Cc1ccc(COc2ccc(C[C@H](C)[NH2+]Cc3cnc4c(C#N)cnn4c3)cc2)cc1 ZINC000560807574 944339875 /nfs/dbraw/zinc/33/98/75/944339875.db2.gz UGCSBHJVFXQQTC-IBGZPJMESA-N 1 0 411.509 4.209 20 30 HIEDRO CC[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1OCC(=O)N1CCCC1 ZINC000564382425 945544653 /nfs/dbraw/zinc/54/46/53/945544653.db2.gz SRDTZBKAGDCZEP-XZOQPEGZSA-N 1 0 403.526 4.288 20 30 HIEDRO N#CCc1cccc(Br)c1OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000564398021 945554049 /nfs/dbraw/zinc/55/40/49/945554049.db2.gz YMRDNZUXUUQFQH-IBGZPJMESA-N 1 0 415.331 4.185 20 30 HIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CCCN(Cc3cccc(C(F)(F)F)c3)C1=O)CC2 ZINC000564433087 945582006 /nfs/dbraw/zinc/58/20/06/945582006.db2.gz HINSOVCZFYLYBH-RTWAWAEBSA-N 1 0 413.443 4.345 20 30 HIEDRO CSC1(CNc2c(C#N)cnc3c(Br)c(C)ccc32)CC[NH+](C)CC1 ZINC000564564268 945679949 /nfs/dbraw/zinc/67/99/49/945679949.db2.gz VUAMZQJAVQQJNR-UHFFFAOYSA-N 1 0 419.392 4.417 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000565332137 945813422 /nfs/dbraw/zinc/81/34/22/945813422.db2.gz BLRBNGGBTPRLME-AVRDEDQJSA-N 1 0 410.583 4.335 20 30 HIEDRO N#Cc1cc(Oc2ccc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)ccn1 ZINC000565922068 945927000 /nfs/dbraw/zinc/92/70/00/945927000.db2.gz JXSSABRGXUKBQM-HXUWFJFHSA-N 1 0 413.481 4.142 20 30 HIEDRO COc1cc(CNC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)ccc1C#N ZINC000567525327 946360864 /nfs/dbraw/zinc/36/08/64/946360864.db2.gz KKMMMCKGPBSCDJ-UHFFFAOYSA-N 1 0 406.530 4.163 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000568029079 946447679 /nfs/dbraw/zinc/44/76/79/946447679.db2.gz SAWCVCCVYXKMMP-OAQYLSRUSA-N 1 0 408.594 4.317 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000568174506 946486599 /nfs/dbraw/zinc/48/65/99/946486599.db2.gz IGIDJSRVJJPJNB-IMHYJWESSA-N 1 0 402.460 4.249 20 30 HIEDRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)cc1 ZINC000568812556 946710769 /nfs/dbraw/zinc/71/07/69/946710769.db2.gz REQMPKALTXUEFK-UNMCSNQZSA-N 1 0 405.542 4.285 20 30 HIEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000569393461 946865189 /nfs/dbraw/zinc/86/51/89/946865189.db2.gz FAVCFGVBKHLINX-UHFFFAOYSA-N 1 0 424.552 4.392 20 30 HIEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)C1 ZINC000569751090 946981410 /nfs/dbraw/zinc/98/14/10/946981410.db2.gz ZAIOGOIEYLNTGC-JOCHJYFZSA-N 1 0 414.557 4.033 20 30 HIEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)C1 ZINC000569751094 946981881 /nfs/dbraw/zinc/98/18/81/946981881.db2.gz ZAIOGOIEYLNTGC-QFIPXVFZSA-N 1 0 414.557 4.033 20 30 HIEDRO CCSc1cccc(F)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000570323187 947201708 /nfs/dbraw/zinc/20/17/08/947201708.db2.gz MKMCLOBGSLEXKY-UHFFFAOYSA-N 1 0 400.523 4.405 20 30 HIEDRO COc1ccc([C@H](CNc2cccc(Br)c2C#N)[NH+](C)C)cc1OC ZINC000570493268 947267811 /nfs/dbraw/zinc/26/78/11/947267811.db2.gz KKXMISKXKGIHJJ-KRWDZBQOSA-N 1 0 404.308 4.053 20 30 HIEDRO C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000570586056 947302977 /nfs/dbraw/zinc/30/29/77/947302977.db2.gz YPRVJMBIECJPHH-UHFFFAOYSA-N 1 0 404.562 4.345 20 30 HIEDRO Cc1ccc(S(=O)(=O)N[C@H](C[NH2+][C@H](C)c2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000570585158 947303402 /nfs/dbraw/zinc/30/34/02/947303402.db2.gz LSWRCQKNTMTARI-NTKDMRAZSA-N 1 0 419.550 4.237 20 30 HIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000571216694 947552186 /nfs/dbraw/zinc/55/21/86/947552186.db2.gz MQWVHJDYYIMOHZ-CQSZACIVSA-N 1 0 417.431 4.085 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000573046648 948069457 /nfs/dbraw/zinc/06/94/57/948069457.db2.gz FVYZWDYETITASD-NQIIRXRSSA-N 1 0 406.530 4.474 20 30 HIEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2)ccn1 ZINC000573410980 948197450 /nfs/dbraw/zinc/19/74/50/948197450.db2.gz POOJVTUFLRZBTH-UZUQRXQVSA-N 1 0 417.513 4.226 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCCC[C@H]1c1ccccc1 ZINC000573770670 948297106 /nfs/dbraw/zinc/29/71/06/948297106.db2.gz SBFLHBCESAPOMB-QFIPXVFZSA-N 1 0 408.546 4.179 20 30 HIEDRO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1OCCCC#N ZINC000573883754 948319640 /nfs/dbraw/zinc/31/96/40/948319640.db2.gz JMBRZHYPQJBYEX-VJBWXMMDSA-N 1 0 406.526 4.382 20 30 HIEDRO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1OCCCC#N ZINC000573883755 948320042 /nfs/dbraw/zinc/32/00/42/948320042.db2.gz JMBRZHYPQJBYEX-XPWALMASSA-N 1 0 406.526 4.382 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H]2c2cccc3c2OCCO3)c1C ZINC000574105862 948365206 /nfs/dbraw/zinc/36/52/06/948365206.db2.gz YUBYMMKRBRHKDA-JOCHJYFZSA-N 1 0 419.525 4.158 20 30 HIEDRO Cc1cc(N2CC[C@H]([NH2+][C@H]3CCc4ccc(C#N)cc43)C2=O)ccc1Br ZINC000574442170 948444350 /nfs/dbraw/zinc/44/43/50/948444350.db2.gz IYJSPRXYWCEGNR-PMACEKPBSA-N 1 0 410.315 4.012 20 30 HIEDRO Cc1sc(NC(=O)C[NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)c(C#N)c1C ZINC000574461151 948448681 /nfs/dbraw/zinc/44/86/81/948448681.db2.gz CKDADQZPEQPLJL-ZWKOTPCHSA-N 1 0 405.470 4.043 20 30 HIEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000574586407 948482238 /nfs/dbraw/zinc/48/22/38/948482238.db2.gz APBZXRASJGWSGB-UHFFFAOYSA-N 1 0 409.578 4.026 20 30 HIEDRO COc1cc(C[NH2+]C2(c3cccc(Br)c3)CCOCC2)ccc1C#N ZINC000574896044 948549592 /nfs/dbraw/zinc/54/95/92/948549592.db2.gz WKIFECDCIMHKTH-UHFFFAOYSA-N 1 0 401.304 4.125 20 30 HIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](c2nn(-c3ccccc3)cc2C(N)=O)C1 ZINC000328603289 569416856 /nfs/dbraw/zinc/41/68/56/569416856.db2.gz FJTWXRXESFEFHI-LJQANCHMSA-N 1 0 415.497 4.016 20 30 HIEDRO COCCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)cn1 ZINC000328604414 569417377 /nfs/dbraw/zinc/41/73/77/569417377.db2.gz JPTWXPKTOCEVGD-QFBILLFUSA-N 1 0 411.506 4.069 20 30 HIEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCC4(CCCC[NH2+]4)CC3)c(Cl)nn2)cc1 ZINC001164388498 718803608 /nfs/dbraw/zinc/80/36/08/718803608.db2.gz VUUJNUZFEUTKFL-UHFFFAOYSA-N 1 0 417.891 4.326 20 30 HIEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627909 719061821 /nfs/dbraw/zinc/06/18/21/719061821.db2.gz RLKGZHATKIQSCT-UTKZUKDTSA-N 1 0 403.917 4.256 20 30 HIEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629056 719090329 /nfs/dbraw/zinc/09/03/29/719090329.db2.gz QPOYYEVVBRBVJC-UGKGYDQZSA-N 1 0 417.557 4.039 20 30 HIEDRO Cc1nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C#N)c(C)c1Cl ZINC001164841824 720663482 /nfs/dbraw/zinc/66/34/82/720663482.db2.gz QJYZCFILTWIFMM-HXUWFJFHSA-N 1 0 424.976 4.483 20 30 HIEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)[C@H]2C ZINC001164861317 720927082 /nfs/dbraw/zinc/92/70/82/720927082.db2.gz SVKIJKUMGRASNW-KRWDZBQOSA-N 1 0 418.520 4.377 20 30 HIEDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCN2c1ncc(C#N)c2sc(-c3ccccc3)cc21 ZINC001164921020 721866010 /nfs/dbraw/zinc/86/60/10/721866010.db2.gz BVOXBDWNYITFJJ-NHCUHLMSSA-N 1 0 417.582 4.050 20 30 HIEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164952218 722018263 /nfs/dbraw/zinc/01/82/63/722018263.db2.gz JRWROTMNROBOES-UHFFFAOYSA-N 1 0 417.891 4.039 20 30 HIEDRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCC[C@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001165004249 722259212 /nfs/dbraw/zinc/25/92/12/722259212.db2.gz PPADCAPHMRAVNS-DEOSSOPVSA-N 1 0 424.976 4.461 20 30 HIEDRO CCc1ccccc1NC(=S)C(C(=O)c1cc(C)n(C)c1C)[n+]1cccc(CO)c1 ZINC000010174311 845627316 /nfs/dbraw/zinc/62/73/16/845627316.db2.gz FRLMMILFXIFMMR-UHFFFAOYSA-O 1 0 422.574 4.035 20 30 HIEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000010282327 845642301 /nfs/dbraw/zinc/64/23/01/845642301.db2.gz ZPSZEESBEITSHA-UHFFFAOYSA-N 1 0 402.498 4.166 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000436288413 861593716 /nfs/dbraw/zinc/59/37/16/861593716.db2.gz FEIYKMAVLULVKE-HUVFLSCGSA-N 1 0 413.583 4.367 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000436295676 861602140 /nfs/dbraw/zinc/60/21/40/861602140.db2.gz PZUHOHSNSDUJQX-JRFVFWCSSA-N 1 0 413.583 4.313 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000436302292 861606814 /nfs/dbraw/zinc/60/68/14/861606814.db2.gz SQZSSJUKHASIMP-NOXFTYBFSA-N 1 0 420.619 4.320 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000436303527 861607708 /nfs/dbraw/zinc/60/77/08/861607708.db2.gz CTQPWEAUHFMIQQ-WTNAPCKOSA-N 1 0 421.509 4.029 20 30 HIEDRO CCNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022686539 846603186 /nfs/dbraw/zinc/60/31/86/846603186.db2.gz LCGLOJMCPGDZKE-UHFFFAOYSA-O 1 0 411.497 4.391 20 30 HIEDRO CCOc1ccc(C(=O)C(C(=S)Nc2cccc(C)c2)[n+]2cccc(CO)c2)cc1 ZINC000022729105 846610245 /nfs/dbraw/zinc/61/02/45/846610245.db2.gz ADAAFSMXJHKWAG-UHFFFAOYSA-O 1 0 421.542 4.224 20 30 HIEDRO Cc1ccc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2ccc(N(C)C)cc2)cc1 ZINC000022735357 846611481 /nfs/dbraw/zinc/61/14/81/846611481.db2.gz VKMLSDZPXLYWQF-UHFFFAOYSA-O 1 0 418.586 4.120 20 30 HIEDRO Cc1ccc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2ccc(N(C)C)cc2)s1 ZINC000022790900 846620996 /nfs/dbraw/zinc/62/09/96/846620996.db2.gz CFWLWEZZRGYQOQ-UHFFFAOYSA-O 1 0 424.615 4.181 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(Br)cc1)[n+]1ccc(CC)cc1 ZINC000022797330 846621936 /nfs/dbraw/zinc/62/19/36/846621936.db2.gz BDWHHLGRCQABDL-UHFFFAOYSA-O 1 0 418.380 4.404 20 30 HIEDRO COCCNC(=S)C(C(=O)c1ccc(C)cc1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022793002 846621976 /nfs/dbraw/zinc/62/19/76/846621976.db2.gz UKVFQQFZQVVIAB-UHFFFAOYSA-O 1 0 419.570 4.048 20 30 HIEDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(C3CC3)nc(SC)c2C#N)cc1 ZINC000027143650 847255338 /nfs/dbraw/zinc/25/53/38/847255338.db2.gz BFXSBAJXUOMAGZ-UHFFFAOYSA-N 1 0 408.571 4.324 20 30 HIEDRO CCOc1ccc([C@@H]([NH2+]CC(=O)Nc2sccc2C#N)C(C)C)cc1OCC ZINC000027379989 847293397 /nfs/dbraw/zinc/29/33/97/847293397.db2.gz SQLCKMSLMCDNJT-FQEVSTJZSA-N 1 0 401.532 4.343 20 30 HIEDRO C=CCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc(C(C)(C)C)cc1 ZINC000028694306 847448786 /nfs/dbraw/zinc/44/87/86/847448786.db2.gz MLVITJQOWCAFTK-UHFFFAOYSA-O 1 0 412.579 4.134 20 30 HIEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C(c1ccccc1)c1ccccc1 ZINC000030531836 847730463 /nfs/dbraw/zinc/73/04/63/847730463.db2.gz HIXQXTMCYVUNIN-HYBUGGRVSA-N 1 0 400.522 4.303 20 30 HIEDRO C=CCc1ccc(OCC(=O)NCc2ccccc2C[NH+]2CCCCC2)c(OC)c1 ZINC000030552020 847734953 /nfs/dbraw/zinc/73/49/53/847734953.db2.gz PIXDCNFDXPOCSH-UHFFFAOYSA-N 1 0 408.542 4.105 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000046374542 848835126 /nfs/dbraw/zinc/83/51/26/848835126.db2.gz JOKOQKUPKDWLNN-IBGZPJMESA-N 1 0 406.530 4.328 20 30 HIEDRO CC(C)[NH+]1CCC(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000048161512 849183004 /nfs/dbraw/zinc/18/30/04/849183004.db2.gz ZFHYPXSREGJYCC-UHFFFAOYSA-N 1 0 406.530 4.326 20 30 HIEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2cccc(Br)c2)cc1 ZINC000051449782 849471395 /nfs/dbraw/zinc/47/13/95/849471395.db2.gz HILKXIDYYLGKFC-FPOVZHCZSA-N 1 0 415.331 4.092 20 30 HIEDRO COc1ccccc1-c1nc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cs1 ZINC000054868068 849934553 /nfs/dbraw/zinc/93/45/53/849934553.db2.gz XLZILMZSERRXJO-UHFFFAOYSA-N 1 0 418.566 4.398 20 30 HIEDRO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CCC(=O)Nc1sccc1C#N ZINC000055055338 849965387 /nfs/dbraw/zinc/96/53/87/849965387.db2.gz CAWYPDPCSNIYJU-UHFFFAOYSA-N 1 0 407.543 4.191 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccsc1 ZINC000055220042 849989027 /nfs/dbraw/zinc/98/90/27/849989027.db2.gz FTQHXSYQKLTPIZ-QFIPXVFZSA-N 1 0 405.523 4.231 20 30 HIEDRO CC(C)(C)CC[NH+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000055936071 850210751 /nfs/dbraw/zinc/21/07/51/850210751.db2.gz JHRLQESCTPJZKO-UHFFFAOYSA-N 1 0 416.635 4.271 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC000056015983 850231044 /nfs/dbraw/zinc/23/10/44/850231044.db2.gz RVEPZPQJDJVYOR-UHFFFAOYSA-N 1 0 400.526 4.076 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000056144416 850252998 /nfs/dbraw/zinc/25/29/98/850252998.db2.gz ADQLWPGVPKWQFY-ROUUACIJSA-N 1 0 400.482 4.210 20 30 HIEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000056332229 850324813 /nfs/dbraw/zinc/32/48/13/850324813.db2.gz NKTHPBAIBPJBPR-UHFFFAOYSA-N 1 0 407.514 4.003 20 30 HIEDRO Cc1cccc(OCCCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000057428309 850634794 /nfs/dbraw/zinc/63/47/94/850634794.db2.gz LYAVGQSYTZPSKV-UHFFFAOYSA-N 1 0 405.542 4.150 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(C)c1C(=O)N1CCCC1)C(C)C ZINC000058550136 850852932 /nfs/dbraw/zinc/85/29/32/850852932.db2.gz WYHOOOJYBGPSGO-NRFANRHFSA-N 1 0 412.578 4.051 20 30 HIEDRO CCOc1ccc([C@@H](C)NC(=O)C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)cc1OC ZINC000060469593 851109318 /nfs/dbraw/zinc/10/93/18/851109318.db2.gz NJZGGLWMTFOMCJ-QZTJIDSGSA-N 1 0 409.530 4.226 20 30 HIEDRO C=CCc1ccc(OCC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c(OC)c1 ZINC000061503225 851391437 /nfs/dbraw/zinc/39/14/37/851391437.db2.gz PNVOKAHMWNZUQA-QFIPXVFZSA-N 1 0 408.542 4.064 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000437056541 862252144 /nfs/dbraw/zinc/25/21/44/862252144.db2.gz KUWMCEXAODMZDJ-SFHVURJKSA-N 1 0 420.582 4.147 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063404147 851680370 /nfs/dbraw/zinc/68/03/70/851680370.db2.gz JDXKBYHGIBXLDC-JOCHJYFZSA-N 1 0 422.529 4.205 20 30 HIEDRO COc1ccc([C@@H]([NH2+]CC(=O)N(C)C2(C#N)CCCCC2)c2ccc(C)cc2)cc1 ZINC000063479345 851699853 /nfs/dbraw/zinc/69/98/53/851699853.db2.gz URDNENRMGXQYDB-DEOSSOPVSA-N 1 0 405.542 4.368 20 30 HIEDRO CC[N@H+](CCC(=O)Nc1sccc1C#N)Cc1cc(Br)ccc1F ZINC000063751831 851754371 /nfs/dbraw/zinc/75/43/71/851754371.db2.gz DELGCLPKLLRHBN-UHFFFAOYSA-N 1 0 410.312 4.372 20 30 HIEDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000063771045 851758922 /nfs/dbraw/zinc/75/89/22/851758922.db2.gz AEMBWGZGEZTQIN-UHFFFAOYSA-N 1 0 405.542 4.474 20 30 HIEDRO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437103707 862292611 /nfs/dbraw/zinc/29/26/11/862292611.db2.gz BAQQZQKUOQUTNE-RFRZSCIPSA-N 1 0 404.558 4.143 20 30 HIEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000437106511 862294505 /nfs/dbraw/zinc/29/45/05/862294505.db2.gz MNDZYJODJKPSMA-DMKPSLHHSA-N 1 0 422.920 4.228 20 30 HIEDRO COc1ccc(C[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)cc1OCCCC#N ZINC000064614163 851940516 /nfs/dbraw/zinc/94/05/16/851940516.db2.gz OZVCXHXVWBMYHH-UHFFFAOYSA-N 1 0 411.521 4.271 20 30 HIEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000065520129 852165534 /nfs/dbraw/zinc/16/55/34/852165534.db2.gz HASLSHFPMWUNTK-HXUWFJFHSA-N 1 0 406.530 4.183 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCc1nc2ccccc2s1 ZINC000065930039 852320738 /nfs/dbraw/zinc/32/07/38/852320738.db2.gz LTBSWQAJMMULMM-UHFFFAOYSA-N 1 0 406.555 4.081 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000065930746 852320880 /nfs/dbraw/zinc/32/08/80/852320880.db2.gz KKPQRJOGAXGAKT-UHFFFAOYSA-N 1 0 408.889 4.071 20 30 HIEDRO Cc1nnc(N2CCC([N@H+](C)Cc3cccc(C(F)(F)F)c3)CC2)c(C#N)c1C ZINC000065945202 852331181 /nfs/dbraw/zinc/33/11/81/852331181.db2.gz HONMBXPAVJNHRH-UHFFFAOYSA-N 1 0 403.452 4.085 20 30 HIEDRO Cc1cc(-c2noc([C@@H](C)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n2)ccc1F ZINC000097476650 852615785 /nfs/dbraw/zinc/61/57/85/852615785.db2.gz ODQRXULNHUSEGP-GOSISDBHSA-N 1 0 419.504 4.325 20 30 HIEDRO C[N@H+](Cc1ccccc1NS(=O)(=O)c1ccc(F)c(C#N)c1)C1CCCCC1 ZINC000097549540 852628374 /nfs/dbraw/zinc/62/83/74/852628374.db2.gz GZXHPSIKUDEKFO-UHFFFAOYSA-N 1 0 401.507 4.263 20 30 HIEDRO N#Cc1cccc(OCc2ccoc2C(=O)O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000097575466 852636345 /nfs/dbraw/zinc/63/63/45/852636345.db2.gz BNBKASORDFVYMF-JOCHJYFZSA-N 1 0 402.450 4.162 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 ZINC000105359174 852701726 /nfs/dbraw/zinc/70/17/26/852701726.db2.gz YAYNMKHFFFOVAH-UHFFFAOYSA-N 1 0 404.392 4.198 20 30 HIEDRO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000105423656 852704349 /nfs/dbraw/zinc/70/43/49/852704349.db2.gz WGMYXRWUNCFYSY-HXUWFJFHSA-N 1 0 413.905 4.395 20 30 HIEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000107592545 852779843 /nfs/dbraw/zinc/77/98/43/852779843.db2.gz WLTYYOOSINXNEB-IBGZPJMESA-N 1 0 421.589 4.037 20 30 HIEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000107592549 852780167 /nfs/dbraw/zinc/78/01/67/852780167.db2.gz WLTYYOOSINXNEB-LJQANCHMSA-N 1 0 421.589 4.037 20 30 HIEDRO C=CCOc1ccc(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCCC2)cc1OC ZINC000108555435 852859697 /nfs/dbraw/zinc/85/96/97/852859697.db2.gz HQVKQXVNNMLAGD-NRFANRHFSA-N 1 0 424.541 4.226 20 30 HIEDRO C#CC[NH+]1CCC(C(=O)NCCCN2c3ccccc3Sc3ccccc32)CC1 ZINC000108932906 852894194 /nfs/dbraw/zinc/89/41/94/852894194.db2.gz PVKQPMXHALXVJR-UHFFFAOYSA-N 1 0 405.567 4.141 20 30 HIEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000138631809 853393159 /nfs/dbraw/zinc/39/31/59/853393159.db2.gz GEYCIBDRRHOSPM-UHFFFAOYSA-N 1 0 406.511 4.052 20 30 HIEDRO COc1ccc2[nH]cc(C3CC[NH+]([C@@H](C)C(=O)Nc4cccc(C#N)c4)CC3)c2c1 ZINC000142132189 853488509 /nfs/dbraw/zinc/48/85/09/853488509.db2.gz HRIBMLIQJKIRJM-INIZCTEOSA-N 1 0 402.498 4.255 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000195613285 853713907 /nfs/dbraw/zinc/71/39/07/853713907.db2.gz PPFQKIGSPGVQLH-UHFFFAOYSA-N 1 0 406.530 4.174 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)c1 ZINC000236617454 853902530 /nfs/dbraw/zinc/90/25/30/853902530.db2.gz CJOGXVRAYKFGOZ-UHFFFAOYSA-N 1 0 416.319 4.250 20 30 HIEDRO CCCC(=O)Nc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000236756112 853919748 /nfs/dbraw/zinc/91/97/48/853919748.db2.gz FNAWDYXRDGQAJG-UHFFFAOYSA-N 1 0 401.514 4.492 20 30 HIEDRO COc1ccc(C[NH2+]Cc2ccc(OC)c(OCCCC#N)c2)cc1Br ZINC000237233218 853987910 /nfs/dbraw/zinc/98/79/10/853987910.db2.gz SVFWMEVMFQPMPH-UHFFFAOYSA-N 1 0 419.319 4.439 20 30 HIEDRO COc1ccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cc1NC(C)=O ZINC000237264610 853993176 /nfs/dbraw/zinc/99/31/76/853993176.db2.gz YNUVRKPSZPUXSO-UHFFFAOYSA-N 1 0 415.493 4.394 20 30 HIEDRO COc1ccc(C[NH2+]CC2(N3CCSCC3)CCCCC2)cc1OCCCC#N ZINC000237363143 854014743 /nfs/dbraw/zinc/01/47/43/854014743.db2.gz IKKDZQIMQZTZAE-UHFFFAOYSA-N 1 0 417.619 4.219 20 30 HIEDRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(OC(F)F)c1 ZINC000237368256 854015393 /nfs/dbraw/zinc/01/53/93/854015393.db2.gz LRSFUAPRFQWXNF-INIZCTEOSA-N 1 0 405.420 4.066 20 30 HIEDRO COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000237371265 854016499 /nfs/dbraw/zinc/01/64/99/854016499.db2.gz LOWXXIUFYMFSEK-MRXNPFEDSA-N 1 0 405.420 4.066 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]CC2CCN(C(=O)c3ccccc3)CC2)ccc1OC ZINC000237372406 854017574 /nfs/dbraw/zinc/01/75/74/854017574.db2.gz CSOQHBASAMZKHI-UHFFFAOYSA-N 1 0 408.542 4.292 20 30 HIEDRO COc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1OC(F)F ZINC000237450395 854036258 /nfs/dbraw/zinc/03/62/58/854036258.db2.gz BDZVGPQSEYNBKD-UHFFFAOYSA-N 1 0 412.440 4.364 20 30 HIEDRO COc1cccc(N2CCC[C@H]([NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)C2)c1 ZINC000237510388 854047040 /nfs/dbraw/zinc/04/70/40/854047040.db2.gz QEXFIFHOZJAORY-QFIPXVFZSA-N 1 0 415.541 4.231 20 30 HIEDRO C[C@@H](C#N)Oc1ccc(CNc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1 ZINC000237508036 854047385 /nfs/dbraw/zinc/04/73/85/854047385.db2.gz OZRARJSLOKBUCL-IBGZPJMESA-N 1 0 406.530 4.404 20 30 HIEDRO FC(F)(F)c1ccc(C#CC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000237716386 854081966 /nfs/dbraw/zinc/08/19/66/854081966.db2.gz PJFZSOZAFPXWCZ-UHFFFAOYSA-N 1 0 413.399 4.008 20 30 HIEDRO Cc1cc(C)c(NC(=O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c(C)c1 ZINC000237916548 854119017 /nfs/dbraw/zinc/11/90/17/854119017.db2.gz GTKPQFGOLABAOC-UHFFFAOYSA-N 1 0 401.514 4.117 20 30 HIEDRO Cc1cc(C[N@@H+](C)[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc(C)c1OCC(F)(F)F ZINC000250963061 854196703 /nfs/dbraw/zinc/19/67/03/854196703.db2.gz UILOXIXWIFWOES-OXQOHEQNSA-N 1 0 413.484 4.119 20 30 HIEDRO Cc1cc(N[C@@H](C[NH+]2CCN(C)CC2)c2ccccc2)n2c3ccccc3nc2c1C#N ZINC000301180405 854321246 /nfs/dbraw/zinc/32/12/46/854321246.db2.gz ZAJIVQQNKYUXIQ-QHCPKHFHSA-N 1 0 424.552 4.068 20 30 HIEDRO N#Cc1ccc([N+](=O)[O-])c(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000302196619 854547994 /nfs/dbraw/zinc/54/79/94/854547994.db2.gz FCZMQDHAFQSDJH-UHFFFAOYSA-N 1 0 404.392 4.198 20 30 HIEDRO COc1ccc([C@@H](CNc2c(C#N)cnc3ccc(Cl)cc32)[NH+](C)C)cc1OC ZINC000302587620 854588685 /nfs/dbraw/zinc/58/86/85/854588685.db2.gz VRMAINHVFATBPH-LJQANCHMSA-N 1 0 410.905 4.492 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000303172882 854800354 /nfs/dbraw/zinc/80/03/54/854800354.db2.gz WZRDSHSYGJSLRL-UHFFFAOYSA-N 1 0 410.465 4.136 20 30 HIEDRO CCCO[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000303296425 854858333 /nfs/dbraw/zinc/85/83/33/854858333.db2.gz BVQYRZYUGGKODZ-KRWDZBQOSA-N 1 0 403.592 4.498 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000303303484 854861660 /nfs/dbraw/zinc/86/16/60/854861660.db2.gz DENDUDMFDWWYMN-SFHVURJKSA-N 1 0 402.608 4.073 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000303362605 854892762 /nfs/dbraw/zinc/89/27/62/854892762.db2.gz HQGXFNHNOXXVGX-FQEVSTJZSA-N 1 0 422.598 4.227 20 30 HIEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000303464651 854964124 /nfs/dbraw/zinc/96/41/24/854964124.db2.gz MGPUCMKPGAVQNJ-KYLYQBOTSA-N 1 0 417.553 4.273 20 30 HIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000303464652 854964267 /nfs/dbraw/zinc/96/42/67/854964267.db2.gz MGPUCMKPGAVQNJ-UNPSAXADSA-N 1 0 417.553 4.273 20 30 HIEDRO Cc1ccc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(COc3ccccc3)CC2)cc1 ZINC000303534323 855020736 /nfs/dbraw/zinc/02/07/36/855020736.db2.gz RYQQXQYXQRPCPD-OAQYLSRUSA-N 1 0 405.542 4.421 20 30 HIEDRO Cc1ccc([C@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[NH+](C)C)cc1 ZINC000303617153 855079578 /nfs/dbraw/zinc/07/95/78/855079578.db2.gz MJAOGWGXRPAJMT-VWLOTQADSA-N 1 0 413.521 4.478 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000303619657 855081793 /nfs/dbraw/zinc/08/17/93/855081793.db2.gz CXOTYBFWPDPWCR-GPJFCIFZSA-N 1 0 414.619 4.216 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000303666404 855118576 /nfs/dbraw/zinc/11/85/76/855118576.db2.gz FIPMTTRXELISJY-OAQYLSRUSA-N 1 0 406.530 4.251 20 30 HIEDRO C[C@H](NC(=[NH2+])NCc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1Cl ZINC000303793234 855201151 /nfs/dbraw/zinc/20/11/51/855201151.db2.gz ZDWFXJNDOCQRLG-ZDUSSCGKSA-N 1 0 405.329 4.286 20 30 HIEDRO Cc1cccc2c(CCC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c[nH]c21 ZINC000303842262 855239218 /nfs/dbraw/zinc/23/92/18/855239218.db2.gz DGDRECTWBJDQQR-UHFFFAOYSA-N 1 0 400.526 4.015 20 30 HIEDRO Cc1cc(C)cc(NC(=[NH2+])NCCCN(Cc2cccnc2)C(=O)OC(C)(C)C)c1 ZINC000303868148 855260487 /nfs/dbraw/zinc/26/04/87/855260487.db2.gz AISSEUYBPXHHCF-UHFFFAOYSA-N 1 0 411.550 4.252 20 30 HIEDRO C[C@H](NC(=[NH2+])NCc1cccc(CN2CCCC2=O)c1)c1ccc(Cl)cc1Cl ZINC000303875369 855264552 /nfs/dbraw/zinc/26/45/52/855264552.db2.gz DJJIWRTYCRGHQE-AWEZNQCLSA-N 1 0 419.356 4.281 20 30 HIEDRO CCOc1ccc(C2(CNC(=[NH2+])Nc3ccc(OC(C)C)cc3)CCOCC2)cc1 ZINC000303875943 855264766 /nfs/dbraw/zinc/26/47/66/855264766.db2.gz HVSSCJRJIZOKRJ-UHFFFAOYSA-N 1 0 411.546 4.348 20 30 HIEDRO COc1cccc(NC(=[NH2+])NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)c1 ZINC000303888810 855271337 /nfs/dbraw/zinc/27/13/37/855271337.db2.gz PEHGVUKOGWPRPL-UHFFFAOYSA-N 1 0 407.436 4.189 20 30 HIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000303892753 855273361 /nfs/dbraw/zinc/27/33/61/855273361.db2.gz RLKQKOAACQBWIP-VGSWGCGISA-N 1 0 408.546 4.036 20 30 HIEDRO C[C@H](NC(=[NH2+])NCc1ccccc1CN1CCCC1=O)c1ccc(Cl)cc1Cl ZINC000303892647 855273385 /nfs/dbraw/zinc/27/33/85/855273385.db2.gz NUOVJHKWAVILFK-AWEZNQCLSA-N 1 0 419.356 4.281 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCCCc2nnc(SC)n2C2CCCC2)cc1Cl ZINC000303895988 855275494 /nfs/dbraw/zinc/27/54/94/855275494.db2.gz PTYYILYJLDDVRH-UHFFFAOYSA-N 1 0 422.986 4.137 20 30 HIEDRO [NH2+]=C(NCc1ccc(Br)c(F)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303897381 855275590 /nfs/dbraw/zinc/27/55/90/855275590.db2.gz VAHZNOZMJQVZNA-UHFFFAOYSA-N 1 0 406.177 4.414 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(N3CCC(C)CC3)nc2)c1 ZINC000303900745 855277532 /nfs/dbraw/zinc/27/75/32/855277532.db2.gz SGVHDUOOZRPUHO-UHFFFAOYSA-N 1 0 411.550 4.042 20 30 HIEDRO [NH2+]=C(NCc1cccc(NC(=O)C2CCCCC2)c1)Nc1ccc2c(c1)OCCCO2 ZINC000303902550 855278664 /nfs/dbraw/zinc/27/86/64/855278664.db2.gz XWKLYHFNHGRHCG-UHFFFAOYSA-N 1 0 422.529 4.294 20 30 HIEDRO COc1ccc(OC)c(NC(=[NH2+])NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c1 ZINC000303911476 855284565 /nfs/dbraw/zinc/28/45/65/855284565.db2.gz ZQLHESVIXACIAU-GOSISDBHSA-N 1 0 420.916 4.060 20 30 HIEDRO CCc1nc(C)c([C@H](C)[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)s1 ZINC000303940684 855305638 /nfs/dbraw/zinc/30/56/38/855305638.db2.gz SOYPDLPHPLJDDQ-ZDUSSCGKSA-N 1 0 402.589 4.457 20 30 HIEDRO [NH2+]=C(NCCc1cccs1)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000303968035 855328701 /nfs/dbraw/zinc/32/87/01/855328701.db2.gz ACUNJIFKHIWGEX-UHFFFAOYSA-N 1 0 415.566 4.307 20 30 HIEDRO CCc1noc(-c2ccc(CCNC(=[NH2+])Nc3ccc(OC(F)(F)F)cc3)cc2)n1 ZINC000303969424 855329348 /nfs/dbraw/zinc/32/93/48/855329348.db2.gz BSOAODSHOFROMI-UHFFFAOYSA-N 1 0 419.407 4.167 20 30 HIEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 ZINC000303989580 855337939 /nfs/dbraw/zinc/33/79/39/855337939.db2.gz XQBGXWJNAMUWFH-FQEVSTJZSA-N 1 0 420.479 4.122 20 30 HIEDRO CC(C)CC(=O)Nc1cccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000304468533 855355819 /nfs/dbraw/zinc/35/58/19/855355819.db2.gz CKBHQOQHLUGWCB-UHFFFAOYSA-N 1 0 422.451 4.174 20 30 HIEDRO Cc1nc(CN2CCC(C[NH+]=C(Nc3ccccc3)N3CCCCC3)CC2)oc1C ZINC000304759469 855357564 /nfs/dbraw/zinc/35/75/64/855357564.db2.gz RGQCGOGQIFUJIR-UHFFFAOYSA-N 1 0 409.578 4.457 20 30 HIEDRO COc1cc(CCC2CC[NH+](CCCC3(C#N)CCOCC3)CC2)cc(OC)c1 ZINC000410311940 855921761 /nfs/dbraw/zinc/92/17/61/855921761.db2.gz KSLYANRWJQSSFE-UHFFFAOYSA-N 1 0 400.563 4.449 20 30 HIEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)C[C@H](C)O1 ZINC000410366289 855953954 /nfs/dbraw/zinc/95/39/54/855953954.db2.gz POFJLDAWJWIENM-OALUTQOASA-N 1 0 420.557 4.419 20 30 HIEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccc(C#N)c(Cl)c3)cc2)C[C@@H](C)O1 ZINC000410370470 855956970 /nfs/dbraw/zinc/95/69/70/855956970.db2.gz CYDGAKAUTHBSMQ-HZPDHXFCSA-N 1 0 412.921 4.143 20 30 HIEDRO C[C@H]([NH2+]C1(CNC(=O)Nc2ccc(C#N)cc2Cl)CCOCC1)c1ccccc1 ZINC000426135615 856131044 /nfs/dbraw/zinc/13/10/44/856131044.db2.gz HDCOYQUCVIIUNV-INIZCTEOSA-N 1 0 412.921 4.233 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)C[C@H]3CCOC3)sc2C1 ZINC000426435708 856289437 /nfs/dbraw/zinc/28/94/37/856289437.db2.gz DNHRXPHHMANLGX-HZPDHXFCSA-N 1 0 403.592 4.068 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000428004163 857038109 /nfs/dbraw/zinc/03/81/09/857038109.db2.gz FKZNOMQYTQTBGD-UHFFFAOYSA-N 1 0 404.539 4.394 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C#N)cs2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000437546141 862877350 /nfs/dbraw/zinc/87/73/50/862877350.db2.gz FOMSQOMVTDUXQI-CRAIPNDOSA-N 1 0 407.461 4.451 20 30 HIEDRO OC1(C(F)F)CC[NH+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)CC1 ZINC000428445470 857206474 /nfs/dbraw/zinc/20/64/74/857206474.db2.gz GEJPQOBXYCQTTG-LBPRGKRZSA-N 1 0 407.301 4.151 20 30 HIEDRO N#CCCn1ncc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1-c1ccccc1 ZINC000428778521 857333922 /nfs/dbraw/zinc/33/39/22/857333922.db2.gz AMWHFCNWJMFLQF-UHFFFAOYSA-N 1 0 413.525 4.354 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000429069934 857491978 /nfs/dbraw/zinc/49/19/78/857491978.db2.gz SHPQJKWOYRKPCQ-CRAIPNDOSA-N 1 0 414.456 4.192 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000429438512 857668557 /nfs/dbraw/zinc/66/85/57/857668557.db2.gz VPRVRTQHJKEJAV-JNLGVIEDSA-N 1 0 403.570 4.271 20 30 HIEDRO Cc1noc(C[C@@H]([NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)c2ccccc2)n1 ZINC000429530421 857723108 /nfs/dbraw/zinc/72/31/08/857723108.db2.gz SNSBZKOYMHDMOB-LJQANCHMSA-N 1 0 401.388 4.202 20 30 HIEDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000429666405 857826994 /nfs/dbraw/zinc/82/69/94/857826994.db2.gz FOCOWNFVLIYVHI-VQTJNVASSA-N 1 0 414.575 4.210 20 30 HIEDRO CC[NH+](CC)Cc1ccc(CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)cc1 ZINC000429727611 857852525 /nfs/dbraw/zinc/85/25/25/857852525.db2.gz CHHGOAWQSAVYSH-UHFFFAOYSA-N 1 0 415.541 4.236 20 30 HIEDRO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3ccc(-c4nc5ccccc5s4)o3)C2)nc1 ZINC000430186160 858072686 /nfs/dbraw/zinc/07/26/86/858072686.db2.gz KESHMRAGKXTJNE-QGZVFWFLSA-N 1 0 402.479 4.476 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccc(Br)c(C)c2)CC1 ZINC000430567287 858221996 /nfs/dbraw/zinc/22/19/96/858221996.db2.gz UQUYNTDRJNFXEE-LJQANCHMSA-N 1 0 406.368 4.254 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](c3ccc(F)c(Br)c3)C2)CC1 ZINC000430573140 858223664 /nfs/dbraw/zinc/22/36/64/858223664.db2.gz PWHOTJCBGWMQCR-JCNLHEQBSA-N 1 0 424.358 4.174 20 30 HIEDRO C=CCC[C@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000430708900 858275134 /nfs/dbraw/zinc/27/51/34/858275134.db2.gz VIMAZVVHNZYAES-KSSFIOAISA-N 1 0 423.376 4.455 20 30 HIEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](CCCC#N)c1ccccc1 ZINC000431696322 858744960 /nfs/dbraw/zinc/74/49/60/858744960.db2.gz DCIGDIXTAIKKOD-HSZRJFAPSA-N 1 0 405.546 4.304 20 30 HIEDRO COc1ccc(C#N)cc1NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000432772221 859352579 /nfs/dbraw/zinc/35/25/79/859352579.db2.gz RNKMBYZHIBWZTG-UHFFFAOYSA-N 1 0 404.514 4.087 20 30 HIEDRO N#CCCC[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000433031171 859489348 /nfs/dbraw/zinc/48/93/48/859489348.db2.gz YGKGASDLZYZBNF-ICSRJNTNSA-N 1 0 421.310 4.353 20 30 HIEDRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)cc1OC ZINC000433030264 859489775 /nfs/dbraw/zinc/48/97/75/859489775.db2.gz JGEDTDJFICJUEJ-YADHBBJMSA-N 1 0 421.541 4.392 20 30 HIEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@@H](Cc4ccc(Br)cc4)C3)o2)cc1 ZINC000433292847 859622632 /nfs/dbraw/zinc/62/26/32/859622632.db2.gz ANASOXRSSYOXLX-KRWDZBQOSA-N 1 0 423.314 4.435 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCc2cccc(Cl)c2Cl)c(-c2ccncc2)n1 ZINC000433310540 859631126 /nfs/dbraw/zinc/63/11/26/859631126.db2.gz CLKJNXDKXUEDHX-UHFFFAOYSA-N 1 0 400.313 4.498 20 30 HIEDRO CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000433318079 859637873 /nfs/dbraw/zinc/63/78/73/859637873.db2.gz NGNPKUSJUJZFGK-UHFFFAOYSA-N 1 0 416.529 4.133 20 30 HIEDRO Cc1ccc(Br)cc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433331142 859646751 /nfs/dbraw/zinc/64/67/51/859646751.db2.gz LMDXQHNIWOZEJD-UHFFFAOYSA-N 1 0 410.319 4.220 20 30 HIEDRO N#CCCn1cc(C[NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(-c2ccncc2)n1 ZINC000433339443 859654265 /nfs/dbraw/zinc/65/42/65/859654265.db2.gz LIIWKPPNRPNQEO-FCHUYYIVSA-N 1 0 405.477 4.008 20 30 HIEDRO COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000434986021 860587147 /nfs/dbraw/zinc/58/71/47/860587147.db2.gz FASGCMAVBWIQOZ-MBSDFSHPSA-N 1 0 401.514 4.450 20 30 HIEDRO Cc1nc(COc2ccc(CN3CCN([C@@H](C#N)c4ccccc4)CC3)cc2)cs1 ZINC000434987725 860587252 /nfs/dbraw/zinc/58/72/52/860587252.db2.gz VMVHTJUVZVIRPE-DEOSSOPVSA-N 1 0 418.566 4.413 20 30 HIEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000435099359 860641242 /nfs/dbraw/zinc/64/12/42/860641242.db2.gz UHVMOUITCZZKHW-PKTZIBPZSA-N 1 0 418.541 4.422 20 30 HIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)c(OC)c1 ZINC000435136537 860658597 /nfs/dbraw/zinc/65/85/97/860658597.db2.gz DFIGYJLLXGKTAE-JOCHJYFZSA-N 1 0 417.513 4.213 20 30 HIEDRO C=CCOc1ccc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000435379976 860776218 /nfs/dbraw/zinc/77/62/18/860776218.db2.gz OOZRXNROGKKXLH-OAQYLSRUSA-N 1 0 402.498 4.147 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000437825423 863171122 /nfs/dbraw/zinc/17/11/22/863171122.db2.gz ACIISJZDCWMIPA-OAQYLSRUSA-N 1 0 406.530 4.333 20 30 HIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000437851489 863210521 /nfs/dbraw/zinc/21/05/21/863210521.db2.gz SKIBJWVLSIKTAC-FQEVSTJZSA-N 1 0 422.529 4.017 20 30 HIEDRO N#Cc1ccccc1OCc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)o1 ZINC000437861450 863220470 /nfs/dbraw/zinc/22/04/70/863220470.db2.gz BJUXGZIVIYLIIG-FQEVSTJZSA-N 1 0 407.514 4.257 20 30 HIEDRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[N@@H+]1C ZINC000437897259 863269566 /nfs/dbraw/zinc/26/95/66/863269566.db2.gz NNIWXKLLIPURKR-GHTZIAJQSA-N 1 0 406.530 4.278 20 30 HIEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccccc1Sc1ccccc1C#N ZINC000437949162 863323434 /nfs/dbraw/zinc/32/34/34/863323434.db2.gz CMGXCHAWUFGBRV-NRSPTQNISA-N 1 0 421.566 4.033 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000438186393 863612823 /nfs/dbraw/zinc/61/28/23/863612823.db2.gz OGCOIXNRSGXESE-IHWFROFDSA-N 1 0 420.513 4.496 20 30 HIEDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 ZINC000438190447 863616678 /nfs/dbraw/zinc/61/66/78/863616678.db2.gz VONVYXCFZCUJIK-IBGZPJMESA-N 1 0 408.502 4.307 20 30 HIEDRO COc1ccc(Br)c(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000438476315 863893894 /nfs/dbraw/zinc/89/38/94/863893894.db2.gz OWWVXXVMKRUHNY-UHFFFAOYSA-N 1 0 416.319 4.204 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)c(F)c1 ZINC000438608385 864034870 /nfs/dbraw/zinc/03/48/70/864034870.db2.gz MROMHTBCMTXFLW-UHFFFAOYSA-N 1 0 419.298 4.056 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438642239 864079009 /nfs/dbraw/zinc/07/90/09/864079009.db2.gz PPVFBIKKPYULRC-UHFFFAOYSA-N 1 0 415.419 4.044 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)sc2c1CCCC2 ZINC000439000337 864454921 /nfs/dbraw/zinc/45/49/21/864454921.db2.gz AAMFDGLPMLMXIU-MISYRCLQSA-N 1 0 415.603 4.233 20 30 HIEDRO C=C(C)COc1cccc(NC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC000439338042 864775839 /nfs/dbraw/zinc/77/58/39/864775839.db2.gz BJTBVJWLXABQIB-UHFFFAOYSA-N 1 0 407.514 4.205 20 30 HIEDRO COc1ccc(C)cc1NC(=O)[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccccc1 ZINC000439624887 864949462 /nfs/dbraw/zinc/94/94/62/864949462.db2.gz OUDKAPJRDJUMCJ-DEOSSOPVSA-N 1 0 415.493 4.224 20 30 HIEDRO CCCc1c(NC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439664397 864994558 /nfs/dbraw/zinc/99/45/58/864994558.db2.gz OOZNGQGAPWYEPY-LJQANCHMSA-N 1 0 422.577 4.473 20 30 HIEDRO CCCc1c(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cnn1-c1cccc(C#N)c1 ZINC000440081620 865346021 /nfs/dbraw/zinc/34/60/21/865346021.db2.gz TYYVGQRJLFVRPH-IBGZPJMESA-N 1 0 405.546 4.290 20 30 HIEDRO Cc1nc(-c2ccc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc2)cs1 ZINC000440480792 865786267 /nfs/dbraw/zinc/78/62/67/865786267.db2.gz SJLMQJAGHPEORO-UHFFFAOYSA-N 1 0 404.539 4.194 20 30 HIEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000440543408 865812425 /nfs/dbraw/zinc/81/24/25/865812425.db2.gz MOFPXBWXVZDWFX-WIOPSUGQSA-N 1 0 419.569 4.332 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)c1ccccc1SC ZINC000440615271 865839670 /nfs/dbraw/zinc/83/96/70/865839670.db2.gz QYMSOFAAZLRJGJ-INIZCTEOSA-N 1 0 414.575 4.024 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)sc2c1CCC2 ZINC000441228423 866304745 /nfs/dbraw/zinc/30/47/45/866304745.db2.gz JXFFJTYUMJIDKB-UHFFFAOYSA-N 1 0 410.499 4.010 20 30 HIEDRO C[C@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[N@@H+]1C1CC1 ZINC000441290043 866364485 /nfs/dbraw/zinc/36/44/85/866364485.db2.gz WWCDYCFVBLONCF-JTSKRJEESA-N 1 0 406.505 4.034 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000441352345 866421938 /nfs/dbraw/zinc/42/19/38/866421938.db2.gz KJQXPIISFOLUJU-DENIHFKCSA-N 1 0 420.557 4.233 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)CC(C)(C)c1ccc(C)cc1 ZINC000441352033 866422186 /nfs/dbraw/zinc/42/21/86/866422186.db2.gz DEACYXFCZUQURB-UHFFFAOYSA-N 1 0 424.589 4.170 20 30 HIEDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)c(C)c1 ZINC000441364164 866432066 /nfs/dbraw/zinc/43/20/66/866432066.db2.gz LRDDVFLHTYMVTC-URXFXBBRSA-N 1 0 415.541 4.166 20 30 HIEDRO CCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000441544679 866620575 /nfs/dbraw/zinc/62/05/75/866620575.db2.gz KMTPVPBTTDZPFK-XMSQKQJNSA-N 1 0 401.514 4.266 20 30 HIEDRO N#Cc1cc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1OC(F)(F)F ZINC000442083477 867113307 /nfs/dbraw/zinc/11/33/07/867113307.db2.gz PYCMXXCWAVDLTP-HNNXBMFYSA-N 1 0 408.380 4.008 20 30 HIEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442163802 867187705 /nfs/dbraw/zinc/18/77/05/867187705.db2.gz CBZBCIPGGTTYRY-UHFFFAOYSA-N 1 0 412.437 4.114 20 30 HIEDRO N#CCSCCC[N@H+]1CCC[C@H]1c1nc(-c2ccccc2Br)no1 ZINC000443307185 867898156 /nfs/dbraw/zinc/89/81/56/867898156.db2.gz BVMCVJUUNNVSMJ-HNNXBMFYSA-N 1 0 407.337 4.283 20 30 HIEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000443636887 868217296 /nfs/dbraw/zinc/21/72/96/868217296.db2.gz DOHDYXYIVLBIPD-LJQANCHMSA-N 1 0 422.532 4.273 20 30 HIEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)o2)cc1 ZINC000443637844 868221186 /nfs/dbraw/zinc/22/11/86/868221186.db2.gz CEOXADZRGAHIMP-MRXNPFEDSA-N 1 0 403.417 4.268 20 30 HIEDRO C=CCc1cc(C[NH2+]C2(c3ccc(OC)c(F)c3)CCOCC2)cc(OC)c1O ZINC000444011406 868533698 /nfs/dbraw/zinc/53/36/98/868533698.db2.gz ALNMMBKISAPJQW-UHFFFAOYSA-N 1 0 401.478 4.073 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@H+](C[C@H]2CCCO2)C2CCCC2)sc2c1CCCC2 ZINC000444211805 868668114 /nfs/dbraw/zinc/66/81/14/868668114.db2.gz ISOZQHFHHCPMHZ-QGZVFWFLSA-N 1 0 401.576 4.251 20 30 HIEDRO C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c2)C1 ZINC000444381327 868801999 /nfs/dbraw/zinc/80/19/99/868801999.db2.gz HRTBCUIXQVYARS-DENIHFKCSA-N 1 0 400.567 4.481 20 30 HIEDRO CC(C)(C#N)CCCC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000444639363 868925246 /nfs/dbraw/zinc/92/52/46/868925246.db2.gz NVQONCUNEPFJST-UHFFFAOYSA-N 1 0 407.356 4.215 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)N(CC)[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000444648604 868928589 /nfs/dbraw/zinc/92/85/89/868928589.db2.gz JSIQXYPVZNOZRB-CVDCTZTESA-N 1 0 420.557 4.292 20 30 HIEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1cccc(OCc2ccccc2)c1 ZINC000444694046 868961594 /nfs/dbraw/zinc/96/15/94/868961594.db2.gz PQNJSGGBQGJRDP-WMZHIEFXSA-N 1 0 402.494 4.228 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000444764951 868992611 /nfs/dbraw/zinc/99/26/11/868992611.db2.gz YGCKBLQOBFHPNE-RYTBJUFESA-N 1 0 412.397 4.481 20 30 HIEDRO COc1cc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000444796404 869012713 /nfs/dbraw/zinc/01/27/13/869012713.db2.gz BLBSNRZQJSDJFS-QFIPXVFZSA-N 1 0 416.525 4.259 20 30 HIEDRO Cc1coc(-c2cccc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c2)n1 ZINC000468322822 882252607 /nfs/dbraw/zinc/25/26/07/882252607.db2.gz VNISIKPUKDBMPH-UHFFFAOYSA-N 1 0 403.486 4.117 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N(C)C[C@H](CC)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000468327115 882258303 /nfs/dbraw/zinc/25/83/03/882258303.db2.gz PBKOGPGSOMLXQF-INIZCTEOSA-N 1 0 414.377 4.443 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1c(F)cc(C#N)cc1F ZINC000445801813 869830517 /nfs/dbraw/zinc/83/05/17/869830517.db2.gz IZKULOQIPJOQAL-UHFFFAOYSA-N 1 0 411.374 4.059 20 30 HIEDRO O=C(C[NH2+][C@H]1CCC[C@H]1c1ccccc1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000445995167 869958641 /nfs/dbraw/zinc/95/86/41/869958641.db2.gz YHLNRDQZITXBQI-SFTDATJTSA-N 1 0 400.444 4.099 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC([NH+]2CC=CC2)CC1 ZINC000446162905 870103522 /nfs/dbraw/zinc/10/35/22/870103522.db2.gz PVBVBQHMIMLTTM-UHFFFAOYSA-N 1 0 416.525 4.314 20 30 HIEDRO CC(C)c1ccc2ncc(C#N)c(N3CCC([NH+]4CCN(C(C)C)CC4)CC3)c2c1 ZINC000447669643 871599818 /nfs/dbraw/zinc/59/98/18/871599818.db2.gz JVUYMZZHKFQAHF-UHFFFAOYSA-N 1 0 405.590 4.225 20 30 HIEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2)c1 ZINC000448195513 872078783 /nfs/dbraw/zinc/07/87/83/872078783.db2.gz CWFJRTNWZPDVFR-DHLKQENFSA-N 1 0 415.537 4.226 20 30 HIEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000448226881 872140260 /nfs/dbraw/zinc/14/02/60/872140260.db2.gz WJDBXTTWZGTBPY-LJQANCHMSA-N 1 0 411.575 4.095 20 30 HIEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460195411 872768740 /nfs/dbraw/zinc/76/87/40/872768740.db2.gz IAQHLOJZOFFXJO-XXBNENTESA-N 1 0 414.557 4.326 20 30 HIEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460379387 873019030 /nfs/dbraw/zinc/01/90/30/873019030.db2.gz HNSCHKFOZIDTLK-UYAOXDASSA-N 1 0 406.578 4.235 20 30 HIEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460554976 873269599 /nfs/dbraw/zinc/26/95/99/873269599.db2.gz PAZBVVARMARSHT-NRFANRHFSA-N 1 0 409.578 4.196 20 30 HIEDRO C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460770181 873617801 /nfs/dbraw/zinc/61/78/01/873617801.db2.gz LMWFCDVHHPXECK-UHFFFAOYSA-N 1 0 405.999 4.332 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460777799 873630351 /nfs/dbraw/zinc/63/03/51/873630351.db2.gz IXBQFKDHTIFLON-YPIGPJMWSA-N 1 0 423.605 4.266 20 30 HIEDRO C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460784652 873642574 /nfs/dbraw/zinc/64/25/74/873642574.db2.gz HOVGCLYGZXRUDG-IBGZPJMESA-N 1 0 402.546 4.051 20 30 HIEDRO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460785208 873643158 /nfs/dbraw/zinc/64/31/58/873643158.db2.gz RLKAKSBWCHYSOO-UHFFFAOYSA-N 1 0 419.577 4.018 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460786517 873645177 /nfs/dbraw/zinc/64/51/77/873645177.db2.gz KCXITTYUFGLQNS-FUHWJXTLSA-N 1 0 417.985 4.492 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460801306 873673304 /nfs/dbraw/zinc/67/33/04/873673304.db2.gz WCCFATFSFZJHAT-WFXMLNOXSA-N 1 0 415.557 4.300 20 30 HIEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460935813 873836348 /nfs/dbraw/zinc/83/63/48/873836348.db2.gz WXRPMBKXCHTHIP-UXHICEINSA-N 1 0 402.546 4.015 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460947712 873845980 /nfs/dbraw/zinc/84/59/80/873845980.db2.gz HQRBJKSCTDUNAN-HBFSDRIKSA-N 1 0 415.557 4.442 20 30 HIEDRO C=C(C)Cn1c(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)nnc1C(F)(F)Oc1ccccc1 ZINC000460950501 873848910 /nfs/dbraw/zinc/84/89/10/873848910.db2.gz QJFTZCMNAPZWFW-QZTJIDSGSA-N 1 0 417.504 4.046 20 30 HIEDRO CC[NH+](CC)CCSCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000461520502 874601880 /nfs/dbraw/zinc/60/18/80/874601880.db2.gz OTLLAWRLDISQET-UHFFFAOYSA-N 1 0 416.566 4.178 20 30 HIEDRO CCCNc1ccc(C#N)cc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000461694368 874843962 /nfs/dbraw/zinc/84/39/62/874843962.db2.gz VEVWWSPGYHVVQW-UHFFFAOYSA-N 1 0 405.546 4.163 20 30 HIEDRO N#Cc1cccc(-c2cc(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)on2)c1 ZINC000468859079 882893534 /nfs/dbraw/zinc/89/35/34/882893534.db2.gz FMPOAOCAVILTAM-UHFFFAOYSA-N 1 0 400.482 4.494 20 30 HIEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462237499 875350682 /nfs/dbraw/zinc/35/06/82/875350682.db2.gz LODOMZQGYXRXRR-WMZHIEFXSA-N 1 0 413.525 4.252 20 30 HIEDRO C=CCc1cc(C[NH2+]C[C@@H](C)Oc2ccc(Br)cc2)cc(OC)c1O ZINC000462755824 875819941 /nfs/dbraw/zinc/81/99/41/875819941.db2.gz LXLJEBQLGUJPEJ-CQSZACIVSA-N 1 0 406.320 4.449 20 30 HIEDRO C[C@]1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCCN1Cc1ccccc1 ZINC000463277086 876334024 /nfs/dbraw/zinc/33/40/24/876334024.db2.gz ROYNSVOEEOHDGO-AREMUKBSSA-N 1 0 402.586 4.167 20 30 HIEDRO C[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CCN1Cc1ccccc1 ZINC000463283743 876341867 /nfs/dbraw/zinc/34/18/67/876341867.db2.gz POOZJOCUKOTPRI-IHOQQJHYSA-N 1 0 404.558 4.286 20 30 HIEDRO CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000468969118 883035755 /nfs/dbraw/zinc/03/57/55/883035755.db2.gz MSBPTOCORJMFGF-HXUWFJFHSA-N 1 0 417.340 4.130 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000463485278 876544699 /nfs/dbraw/zinc/54/46/99/876544699.db2.gz SFNFFXSAVNVCJH-UHFFFAOYSA-N 1 0 416.500 4.327 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)C2(c3cccc(Br)c3)CCCCC2)CC1 ZINC000463790611 876908701 /nfs/dbraw/zinc/90/87/01/876908701.db2.gz RCPMPBWJJKLBEW-UHFFFAOYSA-N 1 0 405.380 4.418 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(OC(C)(C)C)CC3)sc2C1 ZINC000469043161 883114752 /nfs/dbraw/zinc/11/47/52/883114752.db2.gz RQKJERVRWQQFLW-HNNXBMFYSA-N 1 0 403.592 4.353 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@H](CO)c2ccc(Br)cc2)ccc1OC ZINC000503256348 912235475 /nfs/dbraw/zinc/23/54/75/912235475.db2.gz ACUJPVAYQLOXOR-GOSISDBHSA-N 1 0 406.320 4.236 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000464416163 877623792 /nfs/dbraw/zinc/62/37/92/877623792.db2.gz GOCVXAVEWVMBFC-TZIWHRDSSA-N 1 0 408.542 4.385 20 30 HIEDRO CCOc1ccc(CN(CCCn2ccnc2)C(=O)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000464561811 877779391 /nfs/dbraw/zinc/77/93/91/877779391.db2.gz XKZCOWTVOOHFBX-HXUWFJFHSA-N 1 0 416.525 4.376 20 30 HIEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000503292473 912275886 /nfs/dbraw/zinc/27/58/86/912275886.db2.gz SRVSQRUWLIYIMB-NRFANRHFSA-N 1 0 406.530 4.185 20 30 HIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000465137180 878517848 /nfs/dbraw/zinc/51/78/48/878517848.db2.gz HZGWXJGKMSJSLH-QHCPKHFHSA-N 1 0 404.514 4.117 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccccc1C(=O)N1CCCCC1)C(C)C ZINC000503434755 912440114 /nfs/dbraw/zinc/44/01/14/912440114.db2.gz FOCCDKDYFSYDHO-JOCHJYFZSA-N 1 0 412.578 4.133 20 30 HIEDRO COc1cc(C[NH2+]CCc2cccc(C#N)c2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000466425481 880199078 /nfs/dbraw/zinc/19/90/78/880199078.db2.gz NLHPQYUGCXAVDC-UHFFFAOYSA-N 1 0 417.465 4.386 20 30 HIEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000466602776 880372125 /nfs/dbraw/zinc/37/21/25/880372125.db2.gz YSBIMRYVBZYLOA-UHFFFAOYSA-N 1 0 421.545 4.318 20 30 HIEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ncccc1OCCCC#N ZINC000466614684 880385606 /nfs/dbraw/zinc/38/56/06/880385606.db2.gz WJHFKSGUOOLIMK-NGRWLJPCSA-N 1 0 421.545 4.042 20 30 HIEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)Nc1ncccc1OCCCC#N ZINC000466614685 880386113 /nfs/dbraw/zinc/38/61/13/880386113.db2.gz WJHFKSGUOOLIMK-OALUTQOASA-N 1 0 421.545 4.042 20 30 HIEDRO N#Cc1ccc(OCC[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)cc1 ZINC000467409724 881197366 /nfs/dbraw/zinc/19/73/66/881197366.db2.gz ZXUIACDDDKOEFK-NRFANRHFSA-N 1 0 415.331 4.457 20 30 HIEDRO Cc1ccc([C@H](CNC(=O)c2cn(CCCC#N)c3ccccc23)[NH+]2CCCC2)o1 ZINC000469085365 883171825 /nfs/dbraw/zinc/17/18/25/883171825.db2.gz WVFYJVZJWRKDEI-QFIPXVFZSA-N 1 0 404.514 4.413 20 30 HIEDRO CC1(C)OCc2cc(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)ccc2O1 ZINC000469145938 883241969 /nfs/dbraw/zinc/24/19/69/883241969.db2.gz URWNBMMYJSEQBS-UHFFFAOYSA-N 1 0 405.498 4.054 20 30 HIEDRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000469217672 883318642 /nfs/dbraw/zinc/31/86/42/883318642.db2.gz IKZJUOYCMAHVNG-STQMWFEESA-N 1 0 402.292 4.007 20 30 HIEDRO C[NH+](C)CCOc1ccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1Cl ZINC000469250309 883346760 /nfs/dbraw/zinc/34/67/60/883346760.db2.gz HQIDTFTVWZLZNE-UHFFFAOYSA-N 1 0 410.861 4.059 20 30 HIEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000469442301 883636143 /nfs/dbraw/zinc/63/61/43/883636143.db2.gz GWHSRFRKTMZKDS-RSPOEFSDSA-N 1 0 410.480 4.186 20 30 HIEDRO C[C@H]1C[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C[N@@H+]1Cc1ccccc1 ZINC000469586830 883825249 /nfs/dbraw/zinc/82/52/49/883825249.db2.gz KVVBERZLQWJCAN-FPOVZHCZSA-N 1 0 400.526 4.338 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000469706264 883880951 /nfs/dbraw/zinc/88/09/51/883880951.db2.gz YKCYMYZOSSYXFL-INIZCTEOSA-N 1 0 410.518 4.457 20 30 HIEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccc(C)o1 ZINC000470002477 884219151 /nfs/dbraw/zinc/21/91/51/884219151.db2.gz GFMMTIXKUIPHGP-UHFFFAOYSA-N 1 0 415.559 4.267 20 30 HIEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccc(OCc3ccccc3C#N)cc2)o1 ZINC000504036505 912941743 /nfs/dbraw/zinc/94/17/43/912941743.db2.gz RWWKTGYBVAYCIE-UHFFFAOYSA-N 1 0 417.509 4.243 20 30 HIEDRO CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000471047170 885559207 /nfs/dbraw/zinc/55/92/07/885559207.db2.gz HSRZZFMOGPOXJO-HSZRJFAPSA-N 1 0 407.558 4.310 20 30 HIEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000471209435 885781114 /nfs/dbraw/zinc/78/11/14/885781114.db2.gz AGPSUWSKEGOEBC-UHFFFAOYSA-N 1 0 408.571 4.067 20 30 HIEDRO C=CCOc1c(Br)cc(CNC[C@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC000504120146 913027372 /nfs/dbraw/zinc/02/73/72/913027372.db2.gz OULPKDRVHPCYJC-GOSISDBHSA-N 1 0 411.384 4.233 20 30 HIEDRO COc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472431217 887280142 /nfs/dbraw/zinc/28/01/42/887280142.db2.gz MJTGFXVLEUEGOP-HXUWFJFHSA-N 1 0 401.510 4.453 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccc[nH]2)c1C#N ZINC000472439510 887288493 /nfs/dbraw/zinc/28/84/93/887288493.db2.gz NJEMPVDKSHYLKX-OAQYLSRUSA-N 1 0 405.502 4.112 20 30 HIEDRO CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCC(C#N)(c1ccccc1)c1ccccc1)CC2 ZINC000472602383 887474986 /nfs/dbraw/zinc/47/49/86/887474986.db2.gz IXRBEWYFGTWNGJ-DNQXCXABSA-N 1 0 404.554 4.138 20 30 HIEDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H](C)O1 ZINC000472746709 887591985 /nfs/dbraw/zinc/59/19/85/887591985.db2.gz GBMMDKUJHGJRBV-PLXFJCCSSA-N 1 0 417.597 4.460 20 30 HIEDRO N#CCCCn1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c2ccccc21 ZINC000473579006 888320546 /nfs/dbraw/zinc/32/05/46/888320546.db2.gz UDOYKHKYICRVCK-SZPZYZBQSA-N 1 0 412.537 4.149 20 30 HIEDRO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000473829488 888663229 /nfs/dbraw/zinc/66/32/29/888663229.db2.gz NPKOEXZUQIAPHH-FBBABVLZSA-N 1 0 412.496 4.433 20 30 HIEDRO C[N@@H+]1CC[C@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474148063 888976371 /nfs/dbraw/zinc/97/63/71/888976371.db2.gz UUVXHCKUXLPMOL-UTKZUKDTSA-N 1 0 411.908 4.192 20 30 HIEDRO CC(C)(C)[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccc(F)cc1 ZINC000474152456 888983060 /nfs/dbraw/zinc/98/30/60/888983060.db2.gz HRYZWPWDFMWBND-UHFFFAOYSA-N 1 0 405.477 4.122 20 30 HIEDRO CC(C)N1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000474161206 888998540 /nfs/dbraw/zinc/99/85/40/888998540.db2.gz XCNRMJSIKOAWSS-YADHBBJMSA-N 1 0 409.480 4.208 20 30 HIEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(C(C)(C)C#N)cc3)cc2)C[C@H](C)O1 ZINC000474775972 889634301 /nfs/dbraw/zinc/63/43/01/889634301.db2.gz PWLRSTCSOKJZLW-OALUTQOASA-N 1 0 405.542 4.027 20 30 HIEDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1OC ZINC000475084709 889931003 /nfs/dbraw/zinc/93/10/03/889931003.db2.gz AULDDTLEBLMZBM-AMZMEHNNSA-N 1 0 409.530 4.442 20 30 HIEDRO COc1ccc([C@H](C)[C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1OC ZINC000475084712 889931134 /nfs/dbraw/zinc/93/11/34/889931134.db2.gz AULDDTLEBLMZBM-UUBYJMPYSA-N 1 0 409.530 4.442 20 30 HIEDRO C[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C(=O)N1Cc2ccccc2C1 ZINC000475497888 890407202 /nfs/dbraw/zinc/40/72/02/890407202.db2.gz UPBDQJSSBOLFQY-LJQANCHMSA-N 1 0 411.505 4.158 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000475573995 890505046 /nfs/dbraw/zinc/50/50/46/890505046.db2.gz UZLFMIIHURTTCO-UHFFFAOYSA-N 1 0 422.573 4.152 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000475580989 890510161 /nfs/dbraw/zinc/51/01/61/890510161.db2.gz MRIOFRYSKJNCQM-UHFFFAOYSA-N 1 0 407.562 4.007 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1C ZINC000476206923 891138878 /nfs/dbraw/zinc/13/88/78/891138878.db2.gz NHDMETGDXFMRFZ-HXUWFJFHSA-N 1 0 407.562 4.075 20 30 HIEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000476483636 891394531 /nfs/dbraw/zinc/39/45/31/891394531.db2.gz AWSRQQKZHJQYNT-DHIUTWEWSA-N 1 0 405.542 4.293 20 30 HIEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000476876111 891836441 /nfs/dbraw/zinc/83/64/41/891836441.db2.gz YKNAJZVYBUNXST-UHFFFAOYSA-N 1 0 411.546 4.046 20 30 HIEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000477069464 892003530 /nfs/dbraw/zinc/00/35/30/892003530.db2.gz BJNZPVDEGBPCMK-DEOSSOPVSA-N 1 0 422.960 4.138 20 30 HIEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1[N+](=O)[O-] ZINC000504927597 913665253 /nfs/dbraw/zinc/66/52/53/913665253.db2.gz RJJXFDRGRQQBRY-CRAIPNDOSA-N 1 0 412.465 4.324 20 30 HIEDRO C[C@@](C#N)(NC(=O)C[NH2+]C1(c2cccc(Br)c2)CCCCC1)C1CC1 ZINC000477630462 892746095 /nfs/dbraw/zinc/74/60/95/892746095.db2.gz JGUPLRXLRNMXQS-IBGZPJMESA-N 1 0 404.352 4.007 20 30 HIEDRO C=C(C)[C@H](NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)c1ccc(F)c(F)c1 ZINC000477745822 892840494 /nfs/dbraw/zinc/84/04/94/892840494.db2.gz SJYARKQKHBSNHE-QFIPXVFZSA-N 1 0 421.532 4.116 20 30 HIEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H]2CCCc3nc(CC)sc32)c(OC)c1 ZINC000478036481 893169295 /nfs/dbraw/zinc/16/92/95/893169295.db2.gz KZBAMUPKQUMVNP-HKUYNNGSSA-N 1 0 416.587 4.192 20 30 HIEDRO CCOc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1OC(F)F ZINC000478213710 893373784 /nfs/dbraw/zinc/37/37/84/893373784.db2.gz WFNGUQHCZHJKLH-UHFFFAOYSA-N 1 0 412.440 4.249 20 30 HIEDRO C[C@@H]1C[N@@H+](Cc2cccc(NCc3cn(C)nc3-c3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000478236677 893399449 /nfs/dbraw/zinc/39/94/49/893399449.db2.gz UOCZUCZABWRFMO-KDURUIRLSA-N 1 0 415.541 4.180 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]CC(=O)Nc2cccc(Br)c2)ccc1OC ZINC000478327447 893559201 /nfs/dbraw/zinc/55/92/01/893559201.db2.gz MNXAJQNCLIJGNC-UHFFFAOYSA-N 1 0 419.319 4.141 20 30 HIEDRO C=C(C)[C@H](NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)c1ccc(F)c(F)c1 ZINC000478918709 894199547 /nfs/dbraw/zinc/19/95/47/894199547.db2.gz FCXAEYWTEOEZNL-QHCPKHFHSA-N 1 0 414.496 4.216 20 30 HIEDRO Cc1ccc(Cl)c(O[C@@H](C)C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479239893 894502039 /nfs/dbraw/zinc/50/20/39/894502039.db2.gz GFICEWAPTFLSCB-SFHVURJKSA-N 1 0 411.933 4.090 20 30 HIEDRO Cc1cc(O[C@H](C)C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000479311318 894599032 /nfs/dbraw/zinc/59/90/32/894599032.db2.gz RQZBUFXDAPRFIE-GOSISDBHSA-N 1 0 411.933 4.090 20 30 HIEDRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000479407839 894715185 /nfs/dbraw/zinc/71/51/85/894715185.db2.gz BYPOAQFUBQDHKB-SFHVURJKSA-N 1 0 419.550 4.340 20 30 HIEDRO Cn1cc(C[NH2+]CCc2ccc(OC(F)(F)F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000479893720 895240526 /nfs/dbraw/zinc/24/05/26/895240526.db2.gz RKLWTKSRAZZCLU-UHFFFAOYSA-N 1 0 400.404 4.190 20 30 HIEDRO CC(C)CC(=O)Nc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000480028301 895376881 /nfs/dbraw/zinc/37/68/81/895376881.db2.gz XERWZWHIZAXDJA-UHFFFAOYSA-N 1 0 401.514 4.233 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccccc3Cl)c2C(C)C)CC1 ZINC000480149160 895531851 /nfs/dbraw/zinc/53/18/51/895531851.db2.gz NRDTYHCOUACTQS-UHFFFAOYSA-N 1 0 400.954 4.419 20 30 HIEDRO Cc1nn(-c2ccccc2C)c2sc(C(=O)N(CCC#N)CCC[NH+](C)C)cc12 ZINC000481132834 896458654 /nfs/dbraw/zinc/45/86/54/896458654.db2.gz CKKANGKAVBKHBD-UHFFFAOYSA-N 1 0 409.559 4.011 20 30 HIEDRO C=CCSc1ccccc1NC(=O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183953 896529457 /nfs/dbraw/zinc/52/94/57/896529457.db2.gz SRUSBLZIEGABDT-FPOVZHCZSA-N 1 0 409.599 4.403 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000481523077 896887741 /nfs/dbraw/zinc/88/77/41/896887741.db2.gz YBQRLPPZNBSVCG-RPBOFIJWSA-N 1 0 418.585 4.433 20 30 HIEDRO C=C(C)[C@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)c(F)c1 ZINC000481606051 896986321 /nfs/dbraw/zinc/98/63/21/896986321.db2.gz PZNOMLQQWYADFC-QHCPKHFHSA-N 1 0 413.468 4.327 20 30 HIEDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481654916 897039693 /nfs/dbraw/zinc/03/96/93/897039693.db2.gz CCWDULQSXZKJDO-HSZRJFAPSA-N 1 0 411.571 4.146 20 30 HIEDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)cc2)C[C@@H](C)O1 ZINC000481679940 897063749 /nfs/dbraw/zinc/06/37/49/897063749.db2.gz WMHDPHWNIDTPRF-MPCDZSKCSA-N 1 0 417.553 4.365 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)c1C#N ZINC000481764583 897152125 /nfs/dbraw/zinc/15/21/25/897152125.db2.gz YFBJUGUXGUWZNH-LEWJYISDSA-N 1 0 400.567 4.214 20 30 HIEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)cc2)C1 ZINC000482514538 898100600 /nfs/dbraw/zinc/10/06/00/898100600.db2.gz UVWZFHNWNOJANT-GOSISDBHSA-N 1 0 407.514 4.075 20 30 HIEDRO N#CC1(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000482599394 898201709 /nfs/dbraw/zinc/20/17/09/898201709.db2.gz AILYANSODZYQDH-UHFFFAOYSA-N 1 0 410.880 4.249 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000482840949 898450651 /nfs/dbraw/zinc/45/06/51/898450651.db2.gz YJLUFLBNIXDVRT-IBGZPJMESA-N 1 0 404.432 4.024 20 30 HIEDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)nnn1-c1ccc(F)cc1 ZINC000482887929 898504766 /nfs/dbraw/zinc/50/47/66/898504766.db2.gz LPQZCIFWVBGSLI-BEFAXECRSA-N 1 0 422.483 4.045 20 30 HIEDRO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CC1 ZINC000482998368 898646789 /nfs/dbraw/zinc/64/67/89/898646789.db2.gz JLEZRRXBAKQTDX-VWLOTQADSA-N 1 0 420.557 4.057 20 30 HIEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC[C@H]21 ZINC000483040767 898710534 /nfs/dbraw/zinc/71/05/34/898710534.db2.gz AFRSXMRYRNNMOC-XUZZJYLKSA-N 1 0 418.541 4.280 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000505583624 914292013 /nfs/dbraw/zinc/29/20/13/914292013.db2.gz DINKWYKHOPDJES-IFMALSPDSA-N 1 0 419.569 4.161 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000483332968 898961767 /nfs/dbraw/zinc/96/17/67/898961767.db2.gz CRSZOUFOOBXJDX-NQIIRXRSSA-N 1 0 420.513 4.307 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000483332969 898962435 /nfs/dbraw/zinc/96/24/35/898962435.db2.gz CRSZOUFOOBXJDX-RXVVDRJESA-N 1 0 420.513 4.307 20 30 HIEDRO CC1(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000483370600 899006764 /nfs/dbraw/zinc/00/67/64/899006764.db2.gz GVFBPPQIRNBDFM-UHFFFAOYSA-N 1 0 417.488 4.124 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000483643357 899299230 /nfs/dbraw/zinc/29/92/30/899299230.db2.gz XGPNMBMSBTUZCV-MRXNPFEDSA-N 1 0 400.523 4.473 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCCC[C@@H]3C(F)(F)F)CC2)cc1 ZINC000484008398 899645649 /nfs/dbraw/zinc/64/56/49/899645649.db2.gz MKQCROKIOPFMBF-PMACEKPBSA-N 1 0 422.495 4.144 20 30 HIEDRO Cc1cc(C)c(NC(=O)CCC[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000485012283 900360850 /nfs/dbraw/zinc/36/08/50/900360850.db2.gz LQUSDWIDQOLIRC-UHFFFAOYSA-N 1 0 418.585 4.410 20 30 HIEDRO COCC[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000485046655 900380177 /nfs/dbraw/zinc/38/01/77/900380177.db2.gz TXNSGOKKAXDPEB-UHFFFAOYSA-N 1 0 405.420 4.054 20 30 HIEDRO C=CCOc1ccccc1C(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000485229426 900514466 /nfs/dbraw/zinc/51/44/66/900514466.db2.gz JTCKOMULRQOOLE-UHFFFAOYSA-N 1 0 423.557 4.008 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(-c3ccccc3Cl)c2CC)CC1 ZINC000485345298 900636790 /nfs/dbraw/zinc/63/67/90/900636790.db2.gz BZQUTHVDOYHQJO-UHFFFAOYSA-N 1 0 401.942 4.250 20 30 HIEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)CCc1nccs1 ZINC000485448950 900743043 /nfs/dbraw/zinc/74/30/43/900743043.db2.gz BPMMIZMRNYRUJK-CQSZACIVSA-N 1 0 402.589 4.094 20 30 HIEDRO C=CCSc1ccccc1C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000485467044 900761230 /nfs/dbraw/zinc/76/12/30/900761230.db2.gz PKRVMXXYUWSTGW-OALUTQOASA-N 1 0 402.604 4.316 20 30 HIEDRO C=CCSc1ccccc1C(=O)NCCC[N@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000485469089 900762987 /nfs/dbraw/zinc/76/29/87/900762987.db2.gz VCRGUIUKYQEPKD-JOCHJYFZSA-N 1 0 409.599 4.073 20 30 HIEDRO C=CC[N@@H+](CCCC(=O)Nc1c(C)cccc1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000485677444 900929383 /nfs/dbraw/zinc/92/93/83/900929383.db2.gz FDWZTKIKBSOEFE-HXUWFJFHSA-N 1 0 418.545 4.247 20 30 HIEDRO N#Cc1cccnc1OC1CCC(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000485681967 900932648 /nfs/dbraw/zinc/93/26/48/900932648.db2.gz DFTOSKBVYBRSMR-UHFFFAOYSA-N 1 0 418.541 4.059 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000486071671 901263890 /nfs/dbraw/zinc/26/38/90/901263890.db2.gz HWXOKUDRKAMCIZ-UHFFFAOYSA-N 1 0 424.504 4.426 20 30 HIEDRO N#Cc1ccc(N2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)c(Cl)c1 ZINC000486098027 901285262 /nfs/dbraw/zinc/28/52/62/901285262.db2.gz GNCLSUUTSSITHR-UHFFFAOYSA-N 1 0 422.960 4.160 20 30 HIEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc2ncsc2c1 ZINC000486279478 901463255 /nfs/dbraw/zinc/46/32/55/901463255.db2.gz BJFLIOVCDYOMBH-QGZVFWFLSA-N 1 0 419.554 4.146 20 30 HIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000486909087 901955675 /nfs/dbraw/zinc/95/56/75/901955675.db2.gz ZIPLIQGKUGXKAJ-RUZDIDTESA-N 1 0 411.505 4.028 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H](c2ccccc2)C1 ZINC000487740978 902333642 /nfs/dbraw/zinc/33/36/42/902333642.db2.gz PQOBYCOPJJFSKV-ZEQRLZLVSA-N 1 0 404.558 4.358 20 30 HIEDRO N#Cc1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1Br ZINC000487838910 902398327 /nfs/dbraw/zinc/39/83/27/902398327.db2.gz OAOVSAAPCMKLCN-INIZCTEOSA-N 1 0 419.348 4.341 20 30 HIEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1Br ZINC000487970176 902495634 /nfs/dbraw/zinc/49/56/34/902495634.db2.gz RFGLBDSGSMWSMU-UHFFFAOYSA-N 1 0 405.340 4.239 20 30 HIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488496427 902855032 /nfs/dbraw/zinc/85/50/32/902855032.db2.gz KPOPSTTZUXITMT-IERDGZPVSA-N 1 0 416.550 4.442 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000488633148 902910658 /nfs/dbraw/zinc/91/06/58/902910658.db2.gz WKVYYHVNJUEOMI-UHFFFAOYSA-N 1 0 409.839 4.434 20 30 HIEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000488663445 902926175 /nfs/dbraw/zinc/92/61/75/902926175.db2.gz XHAVKOGAGLMHKZ-QFIPXVFZSA-N 1 0 403.570 4.071 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCSCc1ccccc1C#N ZINC000489397603 903365951 /nfs/dbraw/zinc/36/59/51/903365951.db2.gz RVAGLWOXPQDGFO-AUSIDOKSSA-N 1 0 422.598 4.001 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)c1C#N ZINC000489617439 903499174 /nfs/dbraw/zinc/49/91/74/903499174.db2.gz CZFCEVHKDDWUSJ-QFIPXVFZSA-N 1 0 420.582 4.428 20 30 HIEDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C[C@@H](C)C1 ZINC000489908269 903666675 /nfs/dbraw/zinc/66/66/75/903666675.db2.gz FLVNCAVNUOCBFF-JXQFQVJHSA-N 1 0 402.542 4.097 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](Nc3ccccc3)C2)sc2c1CCCC2 ZINC000490042764 903738095 /nfs/dbraw/zinc/73/80/95/903738095.db2.gz OUWMLLLVZOPUQZ-SFHVURJKSA-N 1 0 408.571 4.404 20 30 HIEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000506054975 914754734 /nfs/dbraw/zinc/75/47/34/914754734.db2.gz GFFWAZFFZLXDOR-UHFFFAOYSA-N 1 0 422.548 4.072 20 30 HIEDRO Cn1cc(C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000490570875 904108197 /nfs/dbraw/zinc/10/81/97/904108197.db2.gz RDSDXJQEAIGSDW-XMMPIXPASA-N 1 0 400.526 4.221 20 30 HIEDRO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c(-c2ccc(C#N)cc2)n1 ZINC000491167239 904465243 /nfs/dbraw/zinc/46/52/43/904465243.db2.gz LOLAXFXJCJJPIX-OAQYLSRUSA-N 1 0 400.482 4.067 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cn4cc(Cl)cc(Cl)c4n3)CC2)cc1 ZINC000506176724 914834407 /nfs/dbraw/zinc/83/44/07/914834407.db2.gz XXSWIUQJJOUYDH-UHFFFAOYSA-N 1 0 414.340 4.221 20 30 HIEDRO CC1CC[NH+](Cc2cccc(CNC(=O)NC3(c4cccc(C#N)c4)CC3)c2)CC1 ZINC000491941576 904739119 /nfs/dbraw/zinc/73/91/19/904739119.db2.gz QJLNYFYKMLAANM-UHFFFAOYSA-N 1 0 402.542 4.279 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000493344183 905092865 /nfs/dbraw/zinc/09/28/65/905092865.db2.gz ITGPQCJNWBMZSO-UHFFFAOYSA-N 1 0 405.523 4.290 20 30 HIEDRO CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000512417531 921145118 /nfs/dbraw/zinc/14/51/18/921145118.db2.gz ZFWXWCLMYHIQNG-HSZRJFAPSA-N 1 0 405.542 4.266 20 30 HIEDRO CC(C)Cn1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c2ccccc21 ZINC000494360391 905661586 /nfs/dbraw/zinc/66/15/86/905661586.db2.gz PUBQRGQHVKHAHC-UHFFFAOYSA-N 1 0 402.542 4.373 20 30 HIEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494481458 905763993 /nfs/dbraw/zinc/76/39/93/905763993.db2.gz AHHWIYRLMWRPQT-LPHOPBHVSA-N 1 0 408.260 4.062 20 30 HIEDRO C=C(C)COc1cc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)ccc1OC ZINC000512525910 921216451 /nfs/dbraw/zinc/21/64/51/921216451.db2.gz BFEMDRNOQGZZPY-UHFFFAOYSA-N 1 0 420.513 4.475 20 30 HIEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(CCC#N)Cc2ccco2)CC1 ZINC000495164300 906280419 /nfs/dbraw/zinc/28/04/19/906280419.db2.gz NGGGXRSXBVLJSR-UHFFFAOYSA-N 1 0 415.925 4.023 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000495259245 906345583 /nfs/dbraw/zinc/34/55/83/906345583.db2.gz KOUSUPLMFWEKQD-HKUYNNGSSA-N 1 0 410.331 4.073 20 30 HIEDRO C=C(C)COc1cccc(NC(=O)c2cnn(CC[NH+](C)C)c2-c2ccccc2)c1 ZINC000495272051 906350718 /nfs/dbraw/zinc/35/07/18/906350718.db2.gz IWRWXJFGLFCTDB-UHFFFAOYSA-N 1 0 404.514 4.319 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]CCCc2cccc(C)n2)cc1OC ZINC000512556896 921233871 /nfs/dbraw/zinc/23/38/71/921233871.db2.gz IGMKOHBIXFSIBF-UHFFFAOYSA-N 1 0 405.336 4.448 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)[C@@H](C)c2ccccc2)c1C#N ZINC000495405817 906430383 /nfs/dbraw/zinc/43/03/83/906430383.db2.gz BXHCSAMSFKLFLI-SJLPKXTDSA-N 1 0 404.514 4.338 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c(F)c1 ZINC000512565513 921240412 /nfs/dbraw/zinc/24/04/12/921240412.db2.gz QOJMQFWQZMEOCF-UHFFFAOYSA-N 1 0 416.294 4.311 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)Cc1ccccc1 ZINC000497327087 906834381 /nfs/dbraw/zinc/83/43/81/906834381.db2.gz FXJCAGCZWDJFFB-XMMPIXPASA-N 1 0 413.521 4.040 20 30 HIEDRO C[N@@H+]1C[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@@H](c2ccccc2)C1 ZINC000497403915 906882912 /nfs/dbraw/zinc/88/29/12/906882912.db2.gz NSENFXGYAIAVKW-RPBOFIJWSA-N 1 0 411.505 4.373 20 30 HIEDRO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593792 907075473 /nfs/dbraw/zinc/07/54/73/907075473.db2.gz JTOKKQIOJJIRNY-PGRDOPGGSA-N 1 0 421.541 4.322 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC2([NH+](C)C)CCCCCC2)cc1C ZINC000497702046 907205815 /nfs/dbraw/zinc/20/58/15/907205815.db2.gz QEDLGSRIFDFGSW-UHFFFAOYSA-N 1 0 421.589 4.465 20 30 HIEDRO Cc1cc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)ccc1OCC[NH+]1CCCC1 ZINC000512774554 921309514 /nfs/dbraw/zinc/30/95/14/921309514.db2.gz FZZSWOVMHWFIAY-UHFFFAOYSA-N 1 0 409.505 4.397 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)Nc3cccc(Cl)c3)CC2)c(F)c1 ZINC000512805476 921315280 /nfs/dbraw/zinc/31/52/80/921315280.db2.gz HHBBEJCOJCBRTE-UHFFFAOYSA-N 1 0 401.869 4.223 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)ccc1Br ZINC000497872469 907349340 /nfs/dbraw/zinc/34/93/40/907349340.db2.gz DHUXVDYJINSORV-UHFFFAOYSA-N 1 0 420.738 4.178 20 30 HIEDRO CC[C@@H](Oc1ccccc1C(C)C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000497901750 907374927 /nfs/dbraw/zinc/37/49/27/907374927.db2.gz WQVNASFHINMIQD-HSZRJFAPSA-N 1 0 407.558 4.429 20 30 HIEDRO COc1cc(C[N@@H+]2CC[C@H](COC(F)F)C2)ccc1OCc1cccc(C#N)c1 ZINC000512824733 921327772 /nfs/dbraw/zinc/32/77/72/921327772.db2.gz WVHSTTRYMVBLFB-IBGZPJMESA-N 1 0 402.441 4.207 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CSCc1cccc(Cl)c1 ZINC000498373835 907864194 /nfs/dbraw/zinc/86/41/94/907864194.db2.gz LCCAZKSVJFEILY-UHFFFAOYSA-N 1 0 401.963 4.035 20 30 HIEDRO C[C@H](Sc1ccc(Cl)cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000498381383 907869963 /nfs/dbraw/zinc/86/99/63/907869963.db2.gz BBPDPJVMXCKXPV-INIZCTEOSA-N 1 0 401.963 4.283 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC000498479445 907948293 /nfs/dbraw/zinc/94/82/93/907948293.db2.gz KUEMXRHWTNAQMM-NRFANRHFSA-N 1 0 421.589 4.465 20 30 HIEDRO COc1ccc(C[C@H]([NH2+]CC(=O)Nc2sccc2C#N)c2ccc(OC)cc2)cc1 ZINC000499047124 908419954 /nfs/dbraw/zinc/41/99/54/908419954.db2.gz AOZAXASQEXOJAB-NRFANRHFSA-N 1 0 421.522 4.149 20 30 HIEDRO COc1ccc(C[C@@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)c2ccc(OC)cc2)cc1 ZINC000499060520 908429177 /nfs/dbraw/zinc/42/91/77/908429177.db2.gz VLAGBIHXPCSZAZ-XMMPIXPASA-N 1 0 415.493 4.088 20 30 HIEDRO N#Cc1ccc(Cl)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000512916951 921410622 /nfs/dbraw/zinc/41/06/22/921410622.db2.gz NBZGSWDCYFCPPN-INIZCTEOSA-N 1 0 407.823 4.235 20 30 HIEDRO C=C(CNC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000499108044 908468661 /nfs/dbraw/zinc/46/86/61/908468661.db2.gz BOHGWTARQDOZNL-UHFFFAOYSA-N 1 0 407.558 4.070 20 30 HIEDRO N#C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000499397246 908757594 /nfs/dbraw/zinc/75/75/94/908757594.db2.gz WSQOTQYKPIQCOD-UYAOXDASSA-N 1 0 412.331 4.042 20 30 HIEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000499434507 908795442 /nfs/dbraw/zinc/79/54/42/908795442.db2.gz HVWCQNUUYSMRGO-XMMPIXPASA-N 1 0 413.521 4.040 20 30 HIEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@@H]1C ZINC000499592627 908850203 /nfs/dbraw/zinc/85/02/03/908850203.db2.gz PWLMHRLZZFCAJV-RBUKOAKNSA-N 1 0 406.530 4.278 20 30 HIEDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CCN1Cc1ccccc1 ZINC000513056418 921512115 /nfs/dbraw/zinc/51/21/15/921512115.db2.gz GSIIRHPEMHWECQ-WTIAFYNJSA-N 1 0 406.549 4.309 20 30 HIEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000500735719 910048936 /nfs/dbraw/zinc/04/89/36/910048936.db2.gz YUCGRGDCOMRNIK-QHCPKHFHSA-N 1 0 406.530 4.136 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccsc1 ZINC000513107794 921554055 /nfs/dbraw/zinc/55/40/55/921554055.db2.gz IEWACAJGJVXCOL-NRFANRHFSA-N 1 0 405.523 4.231 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000513107904 921556325 /nfs/dbraw/zinc/55/63/25/921556325.db2.gz JDKRJQROSXGYLC-QZTJIDSGSA-N 1 0 424.524 4.001 20 30 HIEDRO CC1CC[NH+](C2CCC(NC(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CC2)CC1 ZINC000513112851 921558861 /nfs/dbraw/zinc/55/88/61/921558861.db2.gz GEOQAQGVGPIKQH-UHFFFAOYSA-N 1 0 424.524 4.048 20 30 HIEDRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)c1 ZINC000513114025 921560100 /nfs/dbraw/zinc/56/01/00/921560100.db2.gz VZKLGMIIDABXCS-UHFFFAOYSA-N 1 0 420.492 4.047 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)Cc1ccccc1 ZINC000513134851 921576574 /nfs/dbraw/zinc/57/65/74/921576574.db2.gz CUJGPERRMKENTB-XMMPIXPASA-N 1 0 413.521 4.040 20 30 HIEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501807558 910858119 /nfs/dbraw/zinc/85/81/19/910858119.db2.gz BBZFLLHXFCPHFH-NRFANRHFSA-N 1 0 415.459 4.193 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501836867 910877634 /nfs/dbraw/zinc/87/76/34/910877634.db2.gz YNMSSTINLFKZDW-PZJWPPBQSA-N 1 0 401.599 4.205 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000502182426 911111035 /nfs/dbraw/zinc/11/10/35/911111035.db2.gz OTRSKXVVXZILJD-XMMPIXPASA-N 1 0 400.526 4.022 20 30 HIEDRO C[C@@H]1C[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000502193949 911135417 /nfs/dbraw/zinc/13/54/17/911135417.db2.gz YSQSPJOXORDXGU-NLFFAJNJSA-N 1 0 414.553 4.410 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502803048 911822316 /nfs/dbraw/zinc/82/23/16/911822316.db2.gz OMFQMJCXKMSSRD-UHFFFAOYSA-N 1 0 414.550 4.336 20 30 HIEDRO Cc1cc(F)cc([C@@]2(F)CCN(Cc3cn(CCC#N)nc3-c3ccncc3)C2)c1 ZINC000503041837 912010675 /nfs/dbraw/zinc/01/06/75/912010675.db2.gz MPLXZMPNOZGRCF-HSZRJFAPSA-N 1 0 407.468 4.377 20 30 HIEDRO C=C(C)COc1cc(CN2CCCN(C(=O)c3cccc(F)c3)CC2)ccc1OC ZINC000506468376 915064001 /nfs/dbraw/zinc/06/40/01/915064001.db2.gz XGABMGKZTPUBIV-UHFFFAOYSA-N 1 0 412.505 4.137 20 30 HIEDRO CC[NH+](CC)[C@@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)c1ccccc1 ZINC000506527687 915168880 /nfs/dbraw/zinc/16/88/80/915168880.db2.gz PPUCUXWGCYDVOI-RBUKOAKNSA-N 1 0 400.320 4.213 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC000506672653 915347912 /nfs/dbraw/zinc/34/79/12/915347912.db2.gz FFRZQFKHFTUROR-INIZCTEOSA-N 1 0 414.575 4.138 20 30 HIEDRO CC(C)(C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1cc(F)cc(C#N)c1 ZINC000506776639 915494918 /nfs/dbraw/zinc/49/49/18/915494918.db2.gz MBLCYFSEIHYHOB-UHFFFAOYSA-N 1 0 420.532 4.146 20 30 HIEDRO COc1ccccc1O[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000513417335 921784946 /nfs/dbraw/zinc/78/49/46/921784946.db2.gz VEXRVXJDARTQTG-SFHVURJKSA-N 1 0 413.905 4.092 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000506916917 915716778 /nfs/dbraw/zinc/71/67/78/915716778.db2.gz KHDZSNPWDMVMEE-AZUAARDMSA-N 1 0 421.507 4.353 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)C[C@@H]1OCCc2ccccc21 ZINC000507234283 915993221 /nfs/dbraw/zinc/99/32/21/915993221.db2.gz PZSUPOMQVISSGW-IERDGZPVSA-N 1 0 423.582 4.461 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@@H]3OCCc4ccccc43)sc2C1 ZINC000507261615 916022790 /nfs/dbraw/zinc/02/27/90/916022790.db2.gz VYRRGWYKGACLON-IERDGZPVSA-N 1 0 423.582 4.319 20 30 HIEDRO COc1cc(OC)cc(N2CC[C@@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)C2)c1 ZINC000507650714 916410527 /nfs/dbraw/zinc/41/05/27/916410527.db2.gz QLXZHKBNKNCRPY-YOOZRZFBSA-N 1 0 405.542 4.276 20 30 HIEDRO Cc1cccc([C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)N2CCOCC2)c1 ZINC000507660250 916421112 /nfs/dbraw/zinc/42/11/12/916421112.db2.gz MRCRQQUIYWVEPW-GXUWAKPLSA-N 1 0 403.570 4.362 20 30 HIEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1ccccc1SCC#N ZINC000507669047 916436868 /nfs/dbraw/zinc/43/68/68/916436868.db2.gz MLUBVLGYUHFVHM-UHFFFAOYSA-N 1 0 419.554 4.195 20 30 HIEDRO CC[N@H+](C[C@H](O)COc1ccc(Br)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000507702267 916484358 /nfs/dbraw/zinc/48/43/58/916484358.db2.gz PMVHCOIVULKBBA-KXBFYZLASA-N 1 0 403.320 4.144 20 30 HIEDRO CCOc1c(Cl)cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1OC ZINC000507749068 916539692 /nfs/dbraw/zinc/53/96/92/916539692.db2.gz RATDDPIIKQNLQV-UHFFFAOYSA-N 1 0 415.921 4.494 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(OCc4ccncc4)cc3)CC2)nc1 ZINC000507766179 916550679 /nfs/dbraw/zinc/55/06/79/916550679.db2.gz KUVCYUNVPVDLRH-UHFFFAOYSA-N 1 0 414.509 4.407 20 30 HIEDRO COc1ccccc1C(C)(C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000507807921 916593327 /nfs/dbraw/zinc/59/33/27/916593327.db2.gz QIUHGYCHGIJIJV-UHFFFAOYSA-N 1 0 420.513 4.090 20 30 HIEDRO CC(C)(CCC#N)C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000508055769 916881693 /nfs/dbraw/zinc/88/16/93/916881693.db2.gz YJFMCXJTUXYYLO-HSZRJFAPSA-N 1 0 407.533 4.241 20 30 HIEDRO C=CCn1c(-c2ccccc2)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000508461371 917247048 /nfs/dbraw/zinc/24/70/48/917247048.db2.gz LLCWRQCRVODMGT-IBGZPJMESA-N 1 0 403.530 4.023 20 30 HIEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508463317 917248620 /nfs/dbraw/zinc/24/86/20/917248620.db2.gz GEZFQICYAIRRQD-SFHVURJKSA-N 1 0 413.541 4.055 20 30 HIEDRO C=CCn1c(-c2ccoc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508474962 917259530 /nfs/dbraw/zinc/25/95/30/917259530.db2.gz WYOFJLXQQGDKBQ-RBBKRZOGSA-N 1 0 403.530 4.215 20 30 HIEDRO C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508486840 917271290 /nfs/dbraw/zinc/27/12/90/917271290.db2.gz DFWPIMZQRYZKLM-GOSISDBHSA-N 1 0 405.468 4.215 20 30 HIEDRO C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508497894 917282739 /nfs/dbraw/zinc/28/27/39/917282739.db2.gz ODXWSPSPVHULDT-UHFFFAOYSA-N 1 0 422.396 4.020 20 30 HIEDRO COCC[N@H+](Cc1cn(-c2ccccc2)nc1-c1ccncc1)Cc1ccc(C#N)cc1 ZINC000508530583 917312140 /nfs/dbraw/zinc/31/21/40/917312140.db2.gz XUKJUGVADWITGV-UHFFFAOYSA-N 1 0 423.520 4.455 20 30 HIEDRO CC[N@H+](Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000508605129 917375192 /nfs/dbraw/zinc/37/51/92/917375192.db2.gz PVSRSNZTMZKKJR-LJQANCHMSA-N 1 0 421.541 4.151 20 30 HIEDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000508672717 917438350 /nfs/dbraw/zinc/43/83/50/917438350.db2.gz AXRNKGHJLPNFCK-OAQYLSRUSA-N 1 0 400.526 4.325 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508791696 917547277 /nfs/dbraw/zinc/54/72/77/917547277.db2.gz BZWNSSOBIKGODM-MRXNPFEDSA-N 1 0 403.958 4.224 20 30 HIEDRO C=CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508812798 917567566 /nfs/dbraw/zinc/56/75/66/917567566.db2.gz XKXYYSQFPRXFHN-UHFFFAOYSA-N 1 0 421.545 4.270 20 30 HIEDRO C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508833108 917586443 /nfs/dbraw/zinc/58/64/43/917586443.db2.gz NMPAQGWIUPVFBL-UHFFFAOYSA-N 1 0 401.558 4.273 20 30 HIEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508834484 917588020 /nfs/dbraw/zinc/58/80/20/917588020.db2.gz UWTNNTUGZXNGJJ-GOTSBHOMSA-N 1 0 421.589 4.164 20 30 HIEDRO C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508849591 917602879 /nfs/dbraw/zinc/60/28/79/917602879.db2.gz RALVQNIPVQXGQV-MRXNPFEDSA-N 1 0 418.383 4.062 20 30 HIEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508884732 917638226 /nfs/dbraw/zinc/63/82/26/917638226.db2.gz JEFOICTZIIOZTD-RBBKRZOGSA-N 1 0 421.589 4.113 20 30 HIEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000509014528 917766744 /nfs/dbraw/zinc/76/67/44/917766744.db2.gz XOKXDXHWPQOUJF-IRFCIJBXSA-N 1 0 401.599 4.043 20 30 HIEDRO CCC(CC)[C@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[NH+]1CCCC1 ZINC000509327520 917999252 /nfs/dbraw/zinc/99/92/52/917999252.db2.gz KQBRNWOUHVALHM-QHCPKHFHSA-N 1 0 412.578 4.012 20 30 HIEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc1OC ZINC000509349751 918015176 /nfs/dbraw/zinc/01/51/76/918015176.db2.gz ZZWMMVJWADOMJJ-UHFFFAOYSA-N 1 0 415.921 4.159 20 30 HIEDRO CC[N@@H+]1CCC[C@@H](CN(C)c2ccc(C#N)cc2C(F)(F)F)[C@@H]1c1cnn(C)c1 ZINC000509600178 918250029 /nfs/dbraw/zinc/25/00/29/918250029.db2.gz LALXPOCUZHTOET-OXJNMPFZSA-N 1 0 405.468 4.220 20 30 HIEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000510060200 918630486 /nfs/dbraw/zinc/63/04/86/918630486.db2.gz IDZVMYUUWLTGRF-UHFFFAOYSA-N 1 0 407.562 4.287 20 30 HIEDRO COc1cccc(C2([NH2+]CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)CC2)c1 ZINC000510102115 918666705 /nfs/dbraw/zinc/66/67/05/918666705.db2.gz SJRHWXQKEFTRKB-UHFFFAOYSA-N 1 0 406.530 4.318 20 30 HIEDRO C=CCc1cc(C[NH+]2CCC(Oc3c(OC)cccc3OC)CC2)cc(OC)c1O ZINC000510430289 918892941 /nfs/dbraw/zinc/89/29/41/918892941.db2.gz MFIHIECWIBBTAP-UHFFFAOYSA-N 1 0 413.514 4.190 20 30 HIEDRO C=CCOc1c(Br)cc(CN(C)C2CC[NH+](CCC)CC2)cc1OC ZINC000510468777 918924677 /nfs/dbraw/zinc/92/46/77/918924677.db2.gz HCDLZFYEKLARNC-UHFFFAOYSA-N 1 0 411.384 4.329 20 30 HIEDRO N#Cc1ccc(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000510819079 919296827 /nfs/dbraw/zinc/29/68/27/919296827.db2.gz ARQRFVPBCLESRU-LOSJGSFVSA-N 1 0 410.521 4.026 20 30 HIEDRO C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511271836 919868600 /nfs/dbraw/zinc/86/86/00/919868600.db2.gz XGSPPENFJIBRJQ-CABCVRRESA-N 1 0 424.467 4.274 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000511306650 919898850 /nfs/dbraw/zinc/89/88/50/919898850.db2.gz PCFXKGOLIPNCJX-UHFFFAOYSA-N 1 0 406.530 4.329 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000511322689 919914781 /nfs/dbraw/zinc/91/47/81/919914781.db2.gz RYGXNBSLMMBARL-NHCUHLMSSA-N 1 0 404.514 4.080 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000511400775 920014049 /nfs/dbraw/zinc/01/40/49/920014049.db2.gz WOZXYEDBUBPNEY-IBGZPJMESA-N 1 0 420.557 4.156 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000511438518 920048224 /nfs/dbraw/zinc/04/82/24/920048224.db2.gz MEHNGKPLKPEPNV-DHIUTWEWSA-N 1 0 404.514 4.080 20 30 HIEDRO O=C(NCC#Cc1cccc(F)c1)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000511461796 920071523 /nfs/dbraw/zinc/07/15/23/920071523.db2.gz MFXYVTCGEVREKU-UHFFFAOYSA-N 1 0 413.924 4.042 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCC[C@H]3c3ccccc3)CC2)cc1 ZINC000511519740 920138492 /nfs/dbraw/zinc/13/84/92/920138492.db2.gz AMHHDYVJHHZSDI-BJKOFHAPSA-N 1 0 402.542 4.112 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000511680683 920344912 /nfs/dbraw/zinc/34/49/12/920344912.db2.gz JIKQOBNZWRKUCA-SJBKTWHCSA-N 1 0 408.567 4.408 20 30 HIEDRO C[NH+]1CCN(c2ccc(NC(=O)c3cc(C#N)ccc3Cl)c(C(F)(F)F)c2)CC1 ZINC000511740181 920413323 /nfs/dbraw/zinc/41/33/23/920413323.db2.gz URMPRMSIIWZKLT-UHFFFAOYSA-N 1 0 422.838 4.235 20 30 HIEDRO N#Cc1cc(F)c(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c(F)c1 ZINC000511756787 920436369 /nfs/dbraw/zinc/43/63/69/920436369.db2.gz SOYQIRFHGFXNET-NZQKXSOJSA-N 1 0 417.459 4.234 20 30 HIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000511767353 920453617 /nfs/dbraw/zinc/45/36/17/920453617.db2.gz DBHMXKMZRIZULE-JOCHJYFZSA-N 1 0 407.583 4.208 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1C ZINC000511797255 920491263 /nfs/dbraw/zinc/49/12/63/920491263.db2.gz NDCRDMLUFNZOAU-CUYJMHBOSA-N 1 0 417.553 4.055 20 30 HIEDRO CCc1ccc([C@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)[NH+](C)C)cc1 ZINC000511816810 920513883 /nfs/dbraw/zinc/51/38/83/920513883.db2.gz HAOMSJYBBWCKPP-QFIPXVFZSA-N 1 0 417.509 4.325 20 30 HIEDRO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000511840665 920553074 /nfs/dbraw/zinc/55/30/74/920553074.db2.gz AGHOOKHUYPFMEG-LJQANCHMSA-N 1 0 404.432 4.275 20 30 HIEDRO Cn1cc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000512245590 921002890 /nfs/dbraw/zinc/00/28/90/921002890.db2.gz QPFIRSUZCAIXMR-SANMLTNESA-N 1 0 411.553 4.057 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]CCCc3nc(-c4ccncc4)cs3)CC2)cc1 ZINC000513696820 922017407 /nfs/dbraw/zinc/01/74/07/922017407.db2.gz FAQVNZCAOVMHHM-UHFFFAOYSA-N 1 0 403.555 4.268 20 30 HIEDRO CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513725151 922043919 /nfs/dbraw/zinc/04/39/19/922043919.db2.gz OJCHKMJUNVZQDU-UHFFFAOYSA-N 1 0 405.542 4.474 20 30 HIEDRO C=C(C)COc1cc(C[NH+]2CCC(NC(=O)c3cc(C)oc3C)CC2)ccc1OC ZINC000514084203 922409185 /nfs/dbraw/zinc/40/91/85/922409185.db2.gz ORUXKWLXFOZRNX-UHFFFAOYSA-N 1 0 412.530 4.254 20 30 HIEDRO Cn1ccnc1[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000514103842 922432643 /nfs/dbraw/zinc/43/26/43/922432643.db2.gz FPGWIDKBMOROSN-JOCHJYFZSA-N 1 0 405.933 4.293 20 30 HIEDRO Cn1ccnc1[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000514103843 922433306 /nfs/dbraw/zinc/43/33/06/922433306.db2.gz FPGWIDKBMOROSN-QFIPXVFZSA-N 1 0 405.933 4.293 20 30 HIEDRO CC[NH+](CC)CC1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000514242028 922582451 /nfs/dbraw/zinc/58/24/51/922582451.db2.gz KMFYSCAKOAIUFR-UHFFFAOYSA-N 1 0 405.542 4.331 20 30 HIEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000514831406 922818568 /nfs/dbraw/zinc/81/85/68/922818568.db2.gz NAFDWVYOAGALLL-AVRDEDQJSA-N 1 0 400.530 4.016 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ncc(-c2ccccc2)o1 ZINC000514874236 922827423 /nfs/dbraw/zinc/82/74/23/922827423.db2.gz GDBSNXSNSBQFNB-UHFFFAOYSA-N 1 0 409.559 4.440 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccsc1 ZINC000515101446 922912981 /nfs/dbraw/zinc/91/29/81/922912981.db2.gz ZMJFNMOPQULAIF-GOSISDBHSA-N 1 0 411.556 4.091 20 30 HIEDRO COc1cccc([C@@H](CNC(=O)Nc2ccc(C(C)(C)C#N)cc2)[NH+]2CCCC2)c1 ZINC000515117943 922931309 /nfs/dbraw/zinc/93/13/09/922931309.db2.gz MKFDDWJGJLABKV-JOCHJYFZSA-N 1 0 406.530 4.455 20 30 HIEDRO CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000516217533 923606284 /nfs/dbraw/zinc/60/62/84/923606284.db2.gz MNYDXVJNZUFURO-OPAMFIHVSA-N 1 0 409.509 4.165 20 30 HIEDRO CC(=O)c1ccc(C#N)c(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000516317929 923660100 /nfs/dbraw/zinc/66/01/00/923660100.db2.gz DDLRRELIDHJFCL-HSZRJFAPSA-N 1 0 403.526 4.102 20 30 HIEDRO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c3ccc(C#N)cc3)ccc2c1 ZINC000516494441 923758225 /nfs/dbraw/zinc/75/82/25/923758225.db2.gz MZJLCBQBRLRQQB-ZWKOTPCHSA-N 1 0 401.510 4.418 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3ccc(C)cc3)nc3c2cnn3C(C)C)CC1 ZINC000517304328 924090651 /nfs/dbraw/zinc/09/06/51/924090651.db2.gz HHBMDWKHALETQB-UHFFFAOYSA-N 1 0 417.557 4.368 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2nc3ccccc3n2-c2ccccc2)CC1 ZINC000517316103 924098040 /nfs/dbraw/zinc/09/80/40/924098040.db2.gz QLLCQTRZHLXHJB-UHFFFAOYSA-N 1 0 402.542 4.115 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCCOc2ccc(Br)cc2)CC1 ZINC000517507178 924236925 /nfs/dbraw/zinc/23/69/25/924236925.db2.gz FLZLUYCCLJVVGH-UHFFFAOYSA-N 1 0 409.368 4.155 20 30 HIEDRO C=CC[N@H+](Cc1ccc(Br)s1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517530133 924248215 /nfs/dbraw/zinc/24/82/15/924248215.db2.gz OCAPLLUZBAYPGE-CYBMUJFWSA-N 1 0 404.337 4.236 20 30 HIEDRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000517532152 924249336 /nfs/dbraw/zinc/24/93/36/924249336.db2.gz LHTKDZKFWPBJPP-MRXNPFEDSA-N 1 0 404.580 4.092 20 30 HIEDRO COc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cc1[N+](=O)[O-] ZINC000517547839 924258074 /nfs/dbraw/zinc/25/80/74/924258074.db2.gz VOTOSSARCDTYBL-UHFFFAOYSA-N 1 0 403.438 4.344 20 30 HIEDRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1 ZINC000517605432 926713348 /nfs/dbraw/zinc/71/33/48/926713348.db2.gz YYQKOXPNPXCMDM-HXUWFJFHSA-N 1 0 419.447 4.421 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@H]1c1ccccc1 ZINC000517751436 926822828 /nfs/dbraw/zinc/82/28/28/926822828.db2.gz DXXQJEYQRNUNAF-ZEQRLZLVSA-N 1 0 404.558 4.358 20 30 HIEDRO N#CC(CC[NH+]1CCC(OC[C@@H]2CCOC2)CC1)(c1ccccc1)c1ccccc1 ZINC000518068179 927004246 /nfs/dbraw/zinc/00/42/46/927004246.db2.gz PPPVDWOTCFTNLY-JOCHJYFZSA-N 1 0 404.554 4.404 20 30 HIEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)s2)cc1 ZINC000518095383 927018099 /nfs/dbraw/zinc/01/80/99/927018099.db2.gz VMOPGYBGQWRGQR-LJQANCHMSA-N 1 0 409.559 4.088 20 30 HIEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000518355079 927217031 /nfs/dbraw/zinc/21/70/31/927217031.db2.gz PBFVYCGLMVSSMW-GOSISDBHSA-N 1 0 409.530 4.361 20 30 HIEDRO C=C(C)COc1cccc(NC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000518485000 927301476 /nfs/dbraw/zinc/30/14/76/927301476.db2.gz PDSJALULMSYTBD-UHFFFAOYSA-N 1 0 408.546 4.207 20 30 HIEDRO N#CCCn1cc(C[NH2+]C[C@@H](Cc2ccccc2)C(F)(F)F)c(-c2ccncc2)n1 ZINC000518623910 927384719 /nfs/dbraw/zinc/38/47/19/927384719.db2.gz XDHKMGZJHSXGKJ-HXUWFJFHSA-N 1 0 413.447 4.370 20 30 HIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000518769736 927485011 /nfs/dbraw/zinc/48/50/11/927485011.db2.gz XUXBYNAYPVLEPQ-UHFFFAOYSA-N 1 0 405.317 4.072 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](c3nccn3C)C2)cc1OCC ZINC000518838055 927537292 /nfs/dbraw/zinc/53/72/92/927537292.db2.gz JHPBMBWZKKRDGY-INIZCTEOSA-N 1 0 420.351 4.136 20 30 HIEDRO C=CCn1c(-c2cc(C)oc2C)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000519668311 928042363 /nfs/dbraw/zinc/04/23/63/928042363.db2.gz JGQIBBLJTAVEGE-UHFFFAOYSA-N 1 0 409.509 4.192 20 30 HIEDRO CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000519705080 928051876 /nfs/dbraw/zinc/05/18/76/928051876.db2.gz KAMHLXIXOFMKJU-JPYJTQIMSA-N 1 0 421.541 4.322 20 30 HIEDRO CC(C)[C@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C)c1ccc2c(c1)OCCO2 ZINC000520173522 928365280 /nfs/dbraw/zinc/36/52/80/928365280.db2.gz OENUMIQXLCUIEH-VWLOTQADSA-N 1 0 421.541 4.053 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(C)nc3ccc(Br)cc32)CC1 ZINC000520682807 928730644 /nfs/dbraw/zinc/73/06/44/928730644.db2.gz QKXQNRNCGKGNOS-UHFFFAOYSA-N 1 0 402.336 4.076 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c3c(sc2-n2cccc2)CSCC3)CC1 ZINC000520682649 928730909 /nfs/dbraw/zinc/73/09/09/928730909.db2.gz GFWHNRHVCIOOJE-UHFFFAOYSA-N 1 0 401.601 4.098 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)CC1 ZINC000520686998 928735925 /nfs/dbraw/zinc/73/59/25/928735925.db2.gz SSGNYWINMRGCPT-UHFFFAOYSA-N 1 0 404.436 4.224 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CC)Cc2cc(Br)ccc2F)CC1 ZINC000520693815 928740891 /nfs/dbraw/zinc/74/08/91/928740891.db2.gz WGWFLGCIWURGEC-UHFFFAOYSA-N 1 0 412.347 4.160 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1C#N ZINC000520899426 928866728 /nfs/dbraw/zinc/86/67/28/928866728.db2.gz ZEKCOFKKTOAELB-IFMALSPDSA-N 1 0 418.541 4.331 20 30 HIEDRO C=CCOc1ccc(C[NH2+]C[C@H](c2ccc(OC)cc2)N2CCOCC2)cc1Cl ZINC000520956161 928888512 /nfs/dbraw/zinc/88/85/12/928888512.db2.gz CHGNKUIVAZZCEE-JOCHJYFZSA-N 1 0 416.949 4.077 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1ncc(-c2ccccc2)s1 ZINC000520969676 928895115 /nfs/dbraw/zinc/89/51/15/928895115.db2.gz ONIRZUZFUUKVEW-UHFFFAOYSA-N 1 0 405.527 4.277 20 30 HIEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[NH+](CC4CCCCC4)CC3)s2)cc1 ZINC000521466016 929234375 /nfs/dbraw/zinc/23/43/75/929234375.db2.gz FODJQJBCBOBKHF-UHFFFAOYSA-N 1 0 423.586 4.335 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)CC1 ZINC000521594556 929317020 /nfs/dbraw/zinc/31/70/20/929317020.db2.gz JWTUFWIJGHUEBD-UTTDKNERSA-N 1 0 401.554 4.233 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000521701093 929375419 /nfs/dbraw/zinc/37/54/19/929375419.db2.gz WWXOGOLGUNUDSP-JOCHJYFZSA-N 1 0 422.529 4.129 20 30 HIEDRO COc1ccc(Br)cc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000521862281 929513334 /nfs/dbraw/zinc/51/33/34/929513334.db2.gz YWDVGLHBQRATNZ-KRWDZBQOSA-N 1 0 418.310 4.227 20 30 HIEDRO C[N@H+](CCCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)Cc1ccccc1 ZINC000524492743 929640416 /nfs/dbraw/zinc/64/04/16/929640416.db2.gz HNVHXDUDFIPCST-UHFFFAOYSA-N 1 0 413.521 4.389 20 30 HIEDRO CCC[NH+]1CCC(N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000524857403 929861213 /nfs/dbraw/zinc/86/12/13/929861213.db2.gz LVWLHLVTDNOFPC-UHFFFAOYSA-N 1 0 419.529 4.149 20 30 HIEDRO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)S(=O)(=O)c1cccc(C#N)c1 ZINC000524943887 929905460 /nfs/dbraw/zinc/90/54/60/929905460.db2.gz DPDDBTYIZMWYBI-XDNSSPFJSA-N 1 0 417.619 4.391 20 30 HIEDRO COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000524993298 929960024 /nfs/dbraw/zinc/96/00/24/929960024.db2.gz LXQOCJWJYBJEHW-HOIFWPIMSA-N 1 0 405.970 4.046 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(OC(F)F)cc1 ZINC000525248520 930104307 /nfs/dbraw/zinc/10/43/07/930104307.db2.gz MALZSXHAMMAPIW-CABCVRRESA-N 1 0 405.420 4.413 20 30 HIEDRO N#C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000530638755 930782967 /nfs/dbraw/zinc/78/29/67/930782967.db2.gz ABXWYEFCLJOWHX-QUCCMNQESA-N 1 0 417.431 4.178 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(Cl)cc1 ZINC000531075333 930909266 /nfs/dbraw/zinc/90/92/66/930909266.db2.gz AEEORFOFYNFIOU-INIZCTEOSA-N 1 0 408.836 4.237 20 30 HIEDRO COc1ccccc1-c1ccc([C@H](C)[N@H+](C)CC(=O)N(CCC#N)CCC#N)cc1 ZINC000531587806 931111276 /nfs/dbraw/zinc/11/12/76/931111276.db2.gz DUNWKRGMXMNYMX-IBGZPJMESA-N 1 0 404.514 4.011 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[NH+](C3CCC(C)CC3)CC2)ccc1Cl ZINC000531841398 931217374 /nfs/dbraw/zinc/21/73/74/931217374.db2.gz PWTCDIFQHXCUEN-UHFFFAOYSA-N 1 0 416.997 4.091 20 30 HIEDRO Cn1cc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c(C(F)(F)F)n1 ZINC000532670703 931577365 /nfs/dbraw/zinc/57/73/65/931577365.db2.gz LCLWQNJQNARRLR-UHFFFAOYSA-N 1 0 400.404 4.179 20 30 HIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000532699585 931593216 /nfs/dbraw/zinc/59/32/16/931593216.db2.gz UZRZDYNRMOYVSF-KURKYZTESA-N 1 0 414.619 4.164 20 30 HIEDRO COc1cc(C[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)ccc1OCc1cccc(C#N)c1 ZINC000532959620 931714317 /nfs/dbraw/zinc/71/43/17/931714317.db2.gz STQNZOVGEHEWIU-GHTZIAJQSA-N 1 0 420.431 4.033 20 30 HIEDRO CCC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000532970309 931720473 /nfs/dbraw/zinc/72/04/73/931720473.db2.gz GRIDPWUTTIWQDK-XWOARTFESA-N 1 0 415.603 4.402 20 30 HIEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@H]1C ZINC000532988275 931727827 /nfs/dbraw/zinc/72/78/27/931727827.db2.gz SPGIJNILFJURLD-UTKZUKDTSA-N 1 0 413.610 4.225 20 30 HIEDRO C[C@H]1CN([C@H](C[NH2+]Cc2ccc(C#N)cc2F)c2c(F)cccc2Cl)CCO1 ZINC000532989714 931728805 /nfs/dbraw/zinc/72/88/05/931728805.db2.gz UTLLMQBWYISJAQ-VBKZILBWSA-N 1 0 405.876 4.041 20 30 HIEDRO COC(=O)CCC1CC[NH+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1 ZINC000533023287 931742557 /nfs/dbraw/zinc/74/25/57/931742557.db2.gz AYNSRCVSVIWZTK-UHFFFAOYSA-N 1 0 422.525 4.311 20 30 HIEDRO COc1ccc([C@@H]2CCCN2C(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000533250655 931819279 /nfs/dbraw/zinc/81/92/79/931819279.db2.gz FUGGBQYWCOTDIG-QFIPXVFZSA-N 1 0 421.541 4.150 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](Cc3ccccc3)C2)c1C#N ZINC000533292844 931830631 /nfs/dbraw/zinc/83/06/31/931830631.db2.gz XXXPHPMXPQZVFZ-OAQYLSRUSA-N 1 0 416.525 4.121 20 30 HIEDRO Cc1ccc(NC(=O)COc2ccc(CC[NH2+]Cc3ccc(C#N)cc3F)cc2)cc1 ZINC000533309259 931835694 /nfs/dbraw/zinc/83/56/94/931835694.db2.gz XYEUHLBHJKWFSK-UHFFFAOYSA-N 1 0 417.484 4.356 20 30 HIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000533375257 931852622 /nfs/dbraw/zinc/85/26/22/931852622.db2.gz LCKPTBWRCQKBCS-KSZLIROESA-N 1 0 414.619 4.164 20 30 HIEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000533388186 931855859 /nfs/dbraw/zinc/85/58/59/931855859.db2.gz MOBHDGFRVASYBN-GOSISDBHSA-N 1 0 401.514 4.078 20 30 HIEDRO C[N@@H+]1CC[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H]1c1ccccc1 ZINC000534018861 932201249 /nfs/dbraw/zinc/20/12/49/932201249.db2.gz IXKWDXZKXJEJDX-DQEYMECFSA-N 1 0 411.505 4.312 20 30 HIEDRO C[NH+](C)[C@]1(CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CCSC1 ZINC000534152008 932303887 /nfs/dbraw/zinc/30/38/87/932303887.db2.gz YWZZQTKOZYVZQX-NRFANRHFSA-N 1 0 415.946 4.171 20 30 HIEDRO CC[C@@H](C)n1ncc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C1CC1 ZINC000534252494 932366401 /nfs/dbraw/zinc/36/64/01/932366401.db2.gz URCWKYXJLFPZDJ-QGZVFWFLSA-N 1 0 408.550 4.199 20 30 HIEDRO C[NH+](C)Cc1ccc(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1F ZINC000534262660 932370863 /nfs/dbraw/zinc/37/08/63/932370863.db2.gz CHBJLRFPACHOND-UHFFFAOYSA-N 1 0 417.484 4.268 20 30 HIEDRO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H]1c1ccccc1 ZINC000534754270 932731743 /nfs/dbraw/zinc/73/17/43/932731743.db2.gz DJKDIOGVYFPIGO-RPBOFIJWSA-N 1 0 411.505 4.312 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000535090227 932903500 /nfs/dbraw/zinc/90/35/00/932903500.db2.gz VJIYMXYSYKAPFZ-UHFFFAOYSA-N 1 0 418.928 4.478 20 30 HIEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000535206488 933014105 /nfs/dbraw/zinc/01/41/05/933014105.db2.gz NKMKJYDSTUSYCA-GOSISDBHSA-N 1 0 419.554 4.064 20 30 HIEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1SCC#N ZINC000535206504 933014341 /nfs/dbraw/zinc/01/43/41/933014341.db2.gz NKMKJYDSTUSYCA-SFHVURJKSA-N 1 0 419.554 4.064 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)Cc1ccccc1 ZINC000535262024 933041295 /nfs/dbraw/zinc/04/12/95/933041295.db2.gz MTSQZMMJSHSEKS-HXUWFJFHSA-N 1 0 417.484 4.392 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535681586 933334572 /nfs/dbraw/zinc/33/45/72/933334572.db2.gz RIULHKASNNYJSN-UHFFFAOYSA-N 1 0 418.541 4.477 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](c2ccccc2)C2CC2)c1C#N ZINC000537288400 933698811 /nfs/dbraw/zinc/69/88/11/933698811.db2.gz WXNJIQLJOWRWOO-QHCPKHFHSA-N 1 0 402.498 4.297 20 30 HIEDRO C[C@@H]([NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1)c1ccc(C#N)cc1 ZINC000537297572 933703579 /nfs/dbraw/zinc/70/35/79/933703579.db2.gz WVZJDDCHXUSRDO-ZOCZFRKYSA-N 1 0 401.913 4.463 20 30 HIEDRO N#Cc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)c(C(F)(F)F)c1 ZINC000562905432 945146963 /nfs/dbraw/zinc/14/69/63/945146963.db2.gz SFKLDYAZZWVSCC-UHFFFAOYSA-N 1 0 401.432 4.493 20 30 HIEDRO Cc1cc(NC(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)nn1CCC#N ZINC000537516328 938314829 /nfs/dbraw/zinc/31/48/29/938314829.db2.gz MCMTVDLNJCHHSQ-UHFFFAOYSA-N 1 0 420.561 4.158 20 30 HIEDRO COc1ccc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)cc1OCCCC#N ZINC000537628351 938339649 /nfs/dbraw/zinc/33/96/49/938339649.db2.gz FGVMRDKWSPRJSV-UHFFFAOYSA-N 1 0 413.562 4.039 20 30 HIEDRO C=CC[N@@H+](Cc1cc(OC)ccc1OC(F)F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629399 938340364 /nfs/dbraw/zinc/34/03/64/938340364.db2.gz FMZNGFFGGQSERN-HNNXBMFYSA-N 1 0 415.444 4.022 20 30 HIEDRO C=CCOc1ccc(C[N@H+]2CCCN(Cc3csc([C@@H](C)OC)n3)CC2)cc1 ZINC000537711235 938361599 /nfs/dbraw/zinc/36/15/99/938361599.db2.gz XEYKTGAXSOBQMZ-GOSISDBHSA-N 1 0 401.576 4.123 20 30 HIEDRO CCOc1ccc([C@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)C(C)C)cc1OCC ZINC000538141944 938519283 /nfs/dbraw/zinc/51/92/83/938519283.db2.gz TYIXFFPFDLSOCB-JOCHJYFZSA-N 1 0 401.551 4.113 20 30 HIEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(Oc2ccccc2)cc1 ZINC000538153981 938525642 /nfs/dbraw/zinc/52/56/42/938525642.db2.gz CLCVOEYYQVDUCG-GOSISDBHSA-N 1 0 406.507 4.475 20 30 HIEDRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000538178056 938539403 /nfs/dbraw/zinc/53/94/03/938539403.db2.gz PCNSTVQBKPYSNJ-RDGATRHJSA-N 1 0 420.484 4.019 20 30 HIEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1cccc(N2CCCC2=O)c1 ZINC000538210559 938557864 /nfs/dbraw/zinc/55/78/64/938557864.db2.gz KJCWKCCKQIGTQV-KRWDZBQOSA-N 1 0 424.932 4.064 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000538234923 938568573 /nfs/dbraw/zinc/56/85/73/938568573.db2.gz MEOAPICDOSETIO-MSOLQXFVSA-N 1 0 419.554 4.413 20 30 HIEDRO C[C@H]([NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000538394016 938610081 /nfs/dbraw/zinc/61/00/81/938610081.db2.gz LILHCJCKPHXVFB-AWEZNQCLSA-N 1 0 421.360 4.224 20 30 HIEDRO C[C@@H]([NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000538507984 938638210 /nfs/dbraw/zinc/63/82/10/938638210.db2.gz PQJYOOAXFDHCIM-QVKFZJNVSA-N 1 0 421.438 4.440 20 30 HIEDRO N#CC1(c2ccc(C(=O)Nc3ccc(NC(=O)C[NH+]4CCCCCC4)cc3)cc2)CC1 ZINC000538537114 938644024 /nfs/dbraw/zinc/64/40/24/938644024.db2.gz KHMURHBXQCVQOQ-UHFFFAOYSA-N 1 0 416.525 4.309 20 30 HIEDRO Cc1c(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(-c2ccccc2)n1C ZINC000538610395 938660998 /nfs/dbraw/zinc/66/09/98/938660998.db2.gz UNOUATIHEDKWTF-UHFFFAOYSA-N 1 0 408.505 4.313 20 30 HIEDRO N#Cc1cc(C[NH+]2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)ccc1F ZINC000538640008 938670275 /nfs/dbraw/zinc/67/02/75/938670275.db2.gz MDAHOLYQHOFFCI-UHFFFAOYSA-N 1 0 408.395 4.166 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cccc(COCc4ccco4)c3)C2=O)cc1 ZINC000538706642 938687027 /nfs/dbraw/zinc/68/70/27/938687027.db2.gz IMGOEZOEKGHOCW-XMMPIXPASA-N 1 0 415.493 4.153 20 30 HIEDRO C=CCOc1c(Br)cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000538717013 938688900 /nfs/dbraw/zinc/68/89/00/938688900.db2.gz WOTVAJJRWNISHK-WBVHZDCISA-N 1 0 411.384 4.327 20 30 HIEDRO COc1cc(N[C@@H]2CCC[N@H+](Cc3cccc(OCCCC#N)c3)C2)cc(OC)c1 ZINC000538753050 938702616 /nfs/dbraw/zinc/70/26/16/938702616.db2.gz ILGAEMNHCUKGGP-HXUWFJFHSA-N 1 0 409.530 4.463 20 30 HIEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000538803912 938716994 /nfs/dbraw/zinc/71/69/94/938716994.db2.gz HCNOFAFDFFPAQJ-UHFFFAOYSA-N 1 0 407.514 4.003 20 30 HIEDRO CC[C@H](CSC)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000539096469 938802165 /nfs/dbraw/zinc/80/21/65/938802165.db2.gz HOGWWDIRWOTCTF-LJQANCHMSA-N 1 0 416.566 4.176 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(OCc2cccnc2)cc1 ZINC000539226939 938821717 /nfs/dbraw/zinc/82/17/17/938821717.db2.gz QFFYQVUTASYQBM-HXUWFJFHSA-N 1 0 414.509 4.258 20 30 HIEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccc(OCc3cccnc3)cc2)c(C#N)c1C ZINC000539227100 938821799 /nfs/dbraw/zinc/82/17/99/938821799.db2.gz OHMSXKJJVZDKLI-MRXNPFEDSA-N 1 0 420.538 4.500 20 30 HIEDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cc1 ZINC000539229926 938822341 /nfs/dbraw/zinc/82/23/41/938822341.db2.gz PDJRSFGHTNNWJL-SFHVURJKSA-N 1 0 416.525 4.323 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000539260748 938828824 /nfs/dbraw/zinc/82/88/24/938828824.db2.gz GYQYWKIHXGCIAR-HSZRJFAPSA-N 1 0 410.562 4.247 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](c1ccccc1C)C(C)C ZINC000539260752 938828882 /nfs/dbraw/zinc/82/88/82/938828882.db2.gz GYQYWKIHXGCIAR-QHCPKHFHSA-N 1 0 410.562 4.247 20 30 HIEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1OC ZINC000539269166 938830690 /nfs/dbraw/zinc/83/06/90/938830690.db2.gz SHXBNABKIFZPNF-VQFNIZELSA-N 1 0 401.551 4.064 20 30 HIEDRO O=C(C[NH2+]C1(c2cccc(Cl)c2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000539313759 938839580 /nfs/dbraw/zinc/83/95/80/938839580.db2.gz BQJHAEKJDAALPU-UHFFFAOYSA-N 1 0 406.835 4.105 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000539425693 938858893 /nfs/dbraw/zinc/85/88/93/938858893.db2.gz XRYHICJCXICFEC-MSOLQXFVSA-N 1 0 401.860 4.454 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539494078 938868168 /nfs/dbraw/zinc/86/81/68/938868168.db2.gz XQWVKTGKXGRVIM-QHCPKHFHSA-N 1 0 410.539 4.415 20 30 HIEDRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccc(Cl)c(C#N)c2)ccc1OC ZINC000539784875 938934813 /nfs/dbraw/zinc/93/48/13/938934813.db2.gz IXFBPNUITKQIOH-UHFFFAOYSA-N 1 0 401.894 4.193 20 30 HIEDRO C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000540182279 939108295 /nfs/dbraw/zinc/10/82/95/939108295.db2.gz SNYGOZBDOUOBDT-SRWJYRBRSA-N 1 0 422.485 4.163 20 30 HIEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000540309943 939189892 /nfs/dbraw/zinc/18/98/92/939189892.db2.gz YPTVWDVRNBQXFH-RCZVLFRGSA-N 1 0 414.553 4.384 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000540320592 939193760 /nfs/dbraw/zinc/19/37/60/939193760.db2.gz DUWIPAHPZDUVOV-HZPDHXFCSA-N 1 0 417.456 4.283 20 30 HIEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@@H](c2ccc(Br)cc2)C2CCC2)cc1 ZINC000540376166 939216286 /nfs/dbraw/zinc/21/62/86/939216286.db2.gz CZLKONBLHVPICI-OAQYLSRUSA-N 1 0 412.331 4.068 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000540408371 939238290 /nfs/dbraw/zinc/23/82/90/939238290.db2.gz SQEGIROSOQKHNH-HXUWFJFHSA-N 1 0 418.541 4.028 20 30 HIEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000540522210 939286603 /nfs/dbraw/zinc/28/66/03/939286603.db2.gz QIDIKNFHQGTSAN-KZULUSFZSA-N 1 0 401.860 4.408 20 30 HIEDRO Cc1c(Cl)cccc1NC(=O)CC[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540593684 939313391 /nfs/dbraw/zinc/31/33/91/939313391.db2.gz JGWBUOUGDHRVKA-UHFFFAOYSA-N 1 0 410.949 4.103 20 30 HIEDRO CCN(CC)[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(OC)c1 ZINC000540597931 939315895 /nfs/dbraw/zinc/31/58/95/939315895.db2.gz YQWFWDAYXRLJDK-SANMLTNESA-N 1 0 420.601 4.204 20 30 HIEDRO CCN(CC)[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(OC)c1 ZINC000540597928 939315918 /nfs/dbraw/zinc/31/59/18/939315918.db2.gz YQWFWDAYXRLJDK-AREMUKBSSA-N 1 0 420.601 4.204 20 30 HIEDRO COc1ccccc1[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccn1 ZINC000540609241 939318530 /nfs/dbraw/zinc/31/85/30/939318530.db2.gz ZAJZEZHYHOEIAD-SANMLTNESA-N 1 0 412.537 4.305 20 30 HIEDRO C=C(C)COc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)ccc1OC ZINC000540626985 939323139 /nfs/dbraw/zinc/32/31/39/939323139.db2.gz XKTUSLBSMCIOFB-UHFFFAOYSA-N 1 0 410.562 4.188 20 30 HIEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000540668496 939334960 /nfs/dbraw/zinc/33/49/60/939334960.db2.gz UUYKSVJRMPSURI-FQEVSTJZSA-N 1 0 401.432 4.200 20 30 HIEDRO CCOC(=O)COc1ccc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000540810710 939380214 /nfs/dbraw/zinc/38/02/14/939380214.db2.gz ZKZFVAQWXOWHLI-UHFFFAOYSA-N 1 0 400.478 4.457 20 30 HIEDRO COc1cc(C[NH2+][C@@H](CO)c2cccc(F)c2)ccc1OCc1cccc(C#N)c1 ZINC000541026895 939434484 /nfs/dbraw/zinc/43/44/84/939434484.db2.gz LHXAZDLEAZCJDH-QFIPXVFZSA-N 1 0 406.457 4.108 20 30 HIEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000541430659 939514126 /nfs/dbraw/zinc/51/41/26/939514126.db2.gz KWAPVUZASOGPRF-UHFFFAOYSA-N 1 0 406.530 4.475 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000541600762 939565204 /nfs/dbraw/zinc/56/52/04/939565204.db2.gz VFPLUXXMEIXJGQ-SJLPKXTDSA-N 1 0 402.583 4.146 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000541692415 939606340 /nfs/dbraw/zinc/60/63/40/939606340.db2.gz YOSBBFGAEGOGQA-DCZWBIAUSA-N 1 0 409.555 4.420 20 30 HIEDRO C[C@H](C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nccs1 ZINC000542309309 939794563 /nfs/dbraw/zinc/79/45/63/939794563.db2.gz NCSXAXNHKZUWGT-CQSZACIVSA-N 1 0 402.589 4.409 20 30 HIEDRO N#CCC1CCN(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000542897834 939874796 /nfs/dbraw/zinc/87/47/96/939874796.db2.gz OAKDEVQQGJNLII-UHFFFAOYSA-N 1 0 404.558 4.414 20 30 HIEDRO COc1ccccc1CCNC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542941634 939882665 /nfs/dbraw/zinc/88/26/65/939882665.db2.gz CCLRMBDKHVMVGY-IBGZPJMESA-N 1 0 413.521 4.243 20 30 HIEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000543460295 940070042 /nfs/dbraw/zinc/07/00/42/940070042.db2.gz KUWNIWIEGXMZKB-ZBFHGGJFSA-N 1 0 421.467 4.048 20 30 HIEDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000543599184 940126098 /nfs/dbraw/zinc/12/60/98/940126098.db2.gz OGAGRPOLRBMEGB-PELRDEGISA-N 1 0 412.555 4.009 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cc(F)ccc3OC[C@@H]3CCCO3)CC2)cc1 ZINC000543759476 940176503 /nfs/dbraw/zinc/17/65/03/940176503.db2.gz BMWNQRHZEYTCHL-QFIPXVFZSA-N 1 0 409.505 4.332 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc(CN4CCCCC4=O)c3)CC2)cc1 ZINC000543759384 940176751 /nfs/dbraw/zinc/17/67/51/940176751.db2.gz XXRXRMDRCKIOMD-UHFFFAOYSA-N 1 0 402.542 4.147 20 30 HIEDRO C=CCc1cc(C[NH2+][C@@H]2CCN(CC)[C@@H]2c2cc(F)c(F)c(F)c2)cc(OC)c1O ZINC000543849011 940207821 /nfs/dbraw/zinc/20/78/21/940207821.db2.gz FPTWYSKMZOJODY-DENIHFKCSA-N 1 0 420.475 4.472 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543861594 940214125 /nfs/dbraw/zinc/21/41/25/940214125.db2.gz SIPKSTLEJMHIAF-SJORKVTESA-N 1 0 412.493 4.002 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000543863210 940215234 /nfs/dbraw/zinc/21/52/34/940215234.db2.gz ONTZDYPLKJTYAO-ROUUACIJSA-N 1 0 424.504 4.250 20 30 HIEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000543885583 940225518 /nfs/dbraw/zinc/22/55/18/940225518.db2.gz AVMLZZZAHIUROU-MRXNPFEDSA-N 1 0 414.941 4.031 20 30 HIEDRO C[N@@H+]1CC[C@H](C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)C1 ZINC000544025332 940302997 /nfs/dbraw/zinc/30/29/97/940302997.db2.gz KKSKGZQYMAASJT-UFBFGSQYSA-N 1 0 422.291 4.396 20 30 HIEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)c1c(C)nn(C)c1C ZINC000544412130 940416794 /nfs/dbraw/zinc/41/67/94/940416794.db2.gz HJJKLTWKCRTWDI-FQEVSTJZSA-N 1 0 410.566 4.121 20 30 HIEDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@H](O)COc3ccc(C#N)cc3)s2)cc1 ZINC000544465658 940442803 /nfs/dbraw/zinc/44/28/03/940442803.db2.gz YQJYTYHYECIZJK-BEFAXECRSA-N 1 0 423.538 4.089 20 30 HIEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000544481859 940450461 /nfs/dbraw/zinc/45/04/61/940450461.db2.gz ATHSCEJADMCMHS-CQSZACIVSA-N 1 0 408.502 4.096 20 30 HIEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(Cl)ccc2SC2CCCC2)c1C#N ZINC000544593138 940486264 /nfs/dbraw/zinc/48/62/64/940486264.db2.gz AWACJTMUBUVKSL-UHFFFAOYSA-N 1 0 417.966 4.374 20 30 HIEDRO N#Cc1cc(N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000563987270 945336548 /nfs/dbraw/zinc/33/65/48/945336548.db2.gz YNGFVMSPASSONZ-XMMPIXPASA-N 1 0 413.481 4.117 20 30 HIEDRO COc1cc(C#N)ccc1NC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000546708199 940871516 /nfs/dbraw/zinc/87/15/16/940871516.db2.gz XIDXIRRHCLIZTI-MGPUTAFESA-N 1 0 416.884 4.174 20 30 HIEDRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccc(C#N)c(Cl)c2)ccc1OC ZINC000547957200 941080787 /nfs/dbraw/zinc/08/07/87/941080787.db2.gz XVMSDDVZXYWVHD-UHFFFAOYSA-N 1 0 401.894 4.193 20 30 HIEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000548850334 941126526 /nfs/dbraw/zinc/12/65/26/941126526.db2.gz RLZFMEZXTDFAMU-UHFFFAOYSA-N 1 0 411.594 4.217 20 30 HIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000548931914 941130679 /nfs/dbraw/zinc/13/06/79/941130679.db2.gz HUIUVPHDEMMWQI-OAQYLSRUSA-N 1 0 410.949 4.040 20 30 HIEDRO CC1CC[NH+]([C@H](CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c2cccs2)CC1 ZINC000549053524 941149299 /nfs/dbraw/zinc/14/92/99/941149299.db2.gz YQICAURXIMRTJM-MRXNPFEDSA-N 1 0 422.476 4.237 20 30 HIEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1C#N ZINC000549173490 941168360 /nfs/dbraw/zinc/16/83/60/941168360.db2.gz MNEAQZWJDRNXPP-INIZCTEOSA-N 1 0 415.472 4.266 20 30 HIEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000549273184 941175978 /nfs/dbraw/zinc/17/59/78/941175978.db2.gz VLTFWQMGNGWHTI-DENIHFKCSA-N 1 0 409.553 4.037 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000549287185 941177099 /nfs/dbraw/zinc/17/70/99/941177099.db2.gz HNOPBGVIQNUDHE-NZQKXSOJSA-N 1 0 421.589 4.195 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000549332000 941180721 /nfs/dbraw/zinc/18/07/21/941180721.db2.gz UTOVCKGXOSIOGF-UHFFFAOYSA-N 1 0 411.594 4.298 20 30 HIEDRO CC(C)N1CC[C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549341562 941181320 /nfs/dbraw/zinc/18/13/20/941181320.db2.gz VJAZLAXXEFWMSX-UNMCSNQZSA-N 1 0 414.912 4.103 20 30 HIEDRO CCN1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549475167 941194057 /nfs/dbraw/zinc/19/40/57/941194057.db2.gz CUVHYBSWOOHETD-IFMALSPDSA-N 1 0 414.912 4.104 20 30 HIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H]1CCN(C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000549477402 941194638 /nfs/dbraw/zinc/19/46/38/941194638.db2.gz KOEGEXWCHLDXSG-NZQKXSOJSA-N 1 0 415.484 4.037 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000549634702 941202291 /nfs/dbraw/zinc/20/22/91/941202291.db2.gz VXCXSKUTEJITHV-ILWGZMRPSA-N 1 0 409.578 4.053 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000549685256 941204449 /nfs/dbraw/zinc/20/44/49/941204449.db2.gz HXKCGVPITVNXAM-NRFANRHFSA-N 1 0 411.594 4.218 20 30 HIEDRO CCc1sc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1Br ZINC000549813356 941208285 /nfs/dbraw/zinc/20/82/85/941208285.db2.gz WWDNYUOGPHKBKF-UHFFFAOYSA-N 1 0 420.376 4.149 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccc([C@@H](C)CC)cc2)C(C)C)CC1 ZINC000550125687 941287631 /nfs/dbraw/zinc/28/76/31/941287631.db2.gz VBSUBCAHRPGLMA-CVDCTZTESA-N 1 0 413.606 4.170 20 30 HIEDRO N#Cc1ccc(Cl)c(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000552053639 941574947 /nfs/dbraw/zinc/57/49/47/941574947.db2.gz PCYBUOBKLTYQOZ-UHFFFAOYSA-N 1 0 411.933 4.013 20 30 HIEDRO C[C@H]([NH2+]CCn1cnc(C#N)n1)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000552099714 941585218 /nfs/dbraw/zinc/58/52/18/941585218.db2.gz RARHAMJBZMOJIE-AWEZNQCLSA-N 1 0 412.291 4.055 20 30 HIEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000552276406 941620414 /nfs/dbraw/zinc/62/04/14/941620414.db2.gz WLUXFJPYCOUGHV-IBVKSMDESA-N 1 0 419.569 4.442 20 30 HIEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000552276405 941620510 /nfs/dbraw/zinc/62/05/10/941620510.db2.gz WLUXFJPYCOUGHV-FQRUVTKNSA-N 1 0 419.569 4.442 20 30 HIEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000552434966 941670319 /nfs/dbraw/zinc/67/03/19/941670319.db2.gz JLHHTXCIDWDSRQ-UHFFFAOYSA-N 1 0 414.569 4.075 20 30 HIEDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000552895131 941799717 /nfs/dbraw/zinc/79/97/17/941799717.db2.gz FANYNEMLIRHCGL-GOSISDBHSA-N 1 0 416.997 4.055 20 30 HIEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553208045 941849463 /nfs/dbraw/zinc/84/94/63/941849463.db2.gz MZUIFDIZVZJQAQ-ZWKOTPCHSA-N 1 0 416.997 4.055 20 30 HIEDRO CN(C)C(=O)C[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1ccccc1 ZINC000553639388 941929521 /nfs/dbraw/zinc/92/95/21/941929521.db2.gz BYGXUGQDAHPNTG-VWLOTQADSA-N 1 0 413.521 4.446 20 30 HIEDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@@H](C)C1 ZINC000553769594 941963339 /nfs/dbraw/zinc/96/33/39/941963339.db2.gz IOLPQJFJDQUKHJ-PNLZDCPESA-N 1 0 407.489 4.292 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)c(F)c1 ZINC000553902542 941995198 /nfs/dbraw/zinc/99/51/98/941995198.db2.gz SVVNANVRTPNOCT-JOCHJYFZSA-N 1 0 420.532 4.082 20 30 HIEDRO CC(C)N(CC[NH+]1CCCCCC1)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000553937934 942002847 /nfs/dbraw/zinc/00/28/47/942002847.db2.gz MSDPAMRRVITSQV-FQEVSTJZSA-N 1 0 416.635 4.463 20 30 HIEDRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000554099185 942036091 /nfs/dbraw/zinc/03/60/91/942036091.db2.gz PZYZFVCQYPRYTF-UHFFFAOYSA-N 1 0 406.530 4.472 20 30 HIEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccco1 ZINC000554445341 942145704 /nfs/dbraw/zinc/14/57/04/942145704.db2.gz IKYWDEKNYKUHMV-PGRDOPGGSA-N 1 0 402.498 4.325 20 30 HIEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C1 ZINC000555441314 942543248 /nfs/dbraw/zinc/54/32/48/942543248.db2.gz QPKGBSMRBLPNRL-IBGZPJMESA-N 1 0 420.586 4.095 20 30 HIEDRO CSc1ccc([C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)N(C)C)cc1 ZINC000555643314 942684854 /nfs/dbraw/zinc/68/48/54/942684854.db2.gz HSOSACHROPQSOG-DEOSSOPVSA-N 1 0 408.615 4.137 20 30 HIEDRO C=CCN(C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F)c1nc2c(s1)CCCC2 ZINC000556450067 942870728 /nfs/dbraw/zinc/87/07/28/942870728.db2.gz GIKWMQKIDZKNLK-ZIAGYGMSSA-N 1 0 415.525 4.450 20 30 HIEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000556622700 942919405 /nfs/dbraw/zinc/91/94/05/942919405.db2.gz NBWPDZZLMQJBER-UHFFFAOYSA-N 1 0 410.465 4.018 20 30 HIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000556878554 942947527 /nfs/dbraw/zinc/94/75/27/942947527.db2.gz YSYINKGYCOWVKO-JBRSBNLGSA-N 1 0 419.569 4.491 20 30 HIEDRO COc1cccc([C@H]2[C@@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)CCN2C2CC2)c1 ZINC000556891482 942954276 /nfs/dbraw/zinc/95/42/76/942954276.db2.gz ZOLSJGYEXLIKOD-UIOOFZCWSA-N 1 0 416.569 4.103 20 30 HIEDRO CC(C)(C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1cc(F)cc(C#N)c1 ZINC000556920519 942966526 /nfs/dbraw/zinc/96/65/26/942966526.db2.gz MUQPDHGYUOMLJT-QPPBQGQZSA-N 1 0 419.544 4.488 20 30 HIEDRO C[C@H]1CN(C(C)(C)C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000557716464 943267763 /nfs/dbraw/zinc/26/77/63/943267763.db2.gz SVYJRRMPDFIQSF-PMACEKPBSA-N 1 0 407.558 4.115 20 30 HIEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CCC[C@@H]2c2cccnc2)c1C#N ZINC000558102870 943379475 /nfs/dbraw/zinc/37/94/75/943379475.db2.gz GZWYSQMTIYMSIP-JOCHJYFZSA-N 1 0 417.488 4.276 20 30 HIEDRO CC(C)(CCC#N)C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1F ZINC000558248572 943459710 /nfs/dbraw/zinc/45/97/10/943459710.db2.gz XHRZNWRPOHVNCR-FQEVSTJZSA-N 1 0 406.498 4.377 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](Cc2ccccc2)c2ccc(OC)cc2)CC1 ZINC000558604890 943615692 /nfs/dbraw/zinc/61/56/92/943615692.db2.gz ZXZGZXUXMUIPND-XMMPIXPASA-N 1 0 407.558 4.319 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](Cc2ccccc2)c2ccc(OC)cc2)CC1 ZINC000558604889 943615728 /nfs/dbraw/zinc/61/57/28/943615728.db2.gz ZXZGZXUXMUIPND-DEOSSOPVSA-N 1 0 407.558 4.319 20 30 HIEDRO CC(C)C(=O)c1ccc([C@@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1 ZINC000558805405 943670717 /nfs/dbraw/zinc/67/07/17/943670717.db2.gz FRUWJTXIBFJIIT-LJQANCHMSA-N 1 0 405.542 4.091 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000558990160 943791160 /nfs/dbraw/zinc/79/11/60/943791160.db2.gz MZMCLILEJBQMSQ-KRWDZBQOSA-N 1 0 417.985 4.351 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000559000503 943797842 /nfs/dbraw/zinc/79/78/42/943797842.db2.gz NLWWFHFOMMPIQE-JOCHJYFZSA-N 1 0 418.589 4.341 20 30 HIEDRO C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000559006450 943801331 /nfs/dbraw/zinc/80/13/31/943801331.db2.gz SHNWWGVRQGFTBH-UHFFFAOYSA-N 1 0 415.607 4.122 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000559028283 943809936 /nfs/dbraw/zinc/80/99/36/943809936.db2.gz SMCFZLWMYXRMDY-QFIPXVFZSA-N 1 0 418.589 4.485 20 30 HIEDRO COC(=O)c1sc2ccccc2c1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000559056175 943817422 /nfs/dbraw/zinc/81/74/22/943817422.db2.gz MVMKHPYSRUDWTR-UHFFFAOYSA-N 1 0 405.523 4.272 20 30 HIEDRO C=CC[N@H+](Cc1ccc(C)cc1-c1ccnn1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000559068400 943823248 /nfs/dbraw/zinc/82/32/48/943823248.db2.gz ROJNFXYSFRJKML-LJQANCHMSA-N 1 0 413.529 4.120 20 30 HIEDRO C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1=O ZINC000559323490 943896313 /nfs/dbraw/zinc/89/63/13/943896313.db2.gz JWXGHALFZRIEED-JPYJTQIMSA-N 1 0 409.505 4.350 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000559367053 943912369 /nfs/dbraw/zinc/91/23/69/943912369.db2.gz ABEXLDBAAWSVMK-UHFFFAOYSA-N 1 0 418.566 4.256 20 30 HIEDRO C[C@H]([NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1)C(=O)Nc1cccc(C#N)c1 ZINC000559409966 943940066 /nfs/dbraw/zinc/94/00/66/943940066.db2.gz JMSRNEYKHGOAGY-HNNXBMFYSA-N 1 0 415.896 4.059 20 30 HIEDRO Cc1oc(NC(=O)C[N@H+](Cc2cccs2)C2Cc3ccccc3C2)c(C#N)c1C ZINC000560185771 944190797 /nfs/dbraw/zinc/19/07/97/944190797.db2.gz VITFRMGKNRYHEJ-UHFFFAOYSA-N 1 0 405.523 4.438 20 30 HIEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000560543166 944248640 /nfs/dbraw/zinc/24/86/40/944248640.db2.gz AOGYFQLYIAXTDV-RPBOFIJWSA-N 1 0 414.557 4.085 20 30 HIEDRO Cc1cc(NC(=O)c2cc(C#N)ccc2Cl)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000560601549 944270401 /nfs/dbraw/zinc/27/04/01/944270401.db2.gz RUSOHNKYFQYOIR-LJQANCHMSA-N 1 0 419.916 4.416 20 30 HIEDRO C=CC[C@@H]1N(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2cnn(C)c2)CCCC1(C)C ZINC000560674515 944290691 /nfs/dbraw/zinc/29/06/91/944290691.db2.gz GWASSIDIIIDSDL-SGNDLWITSA-N 1 0 420.601 4.229 20 30 HIEDRO C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000561127022 944467480 /nfs/dbraw/zinc/46/74/80/944467480.db2.gz NDFSSZKWYQIZBI-ROUUACIJSA-N 1 0 416.997 4.197 20 30 HIEDRO CC[NH+]1CCC(CCNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000561159629 944488712 /nfs/dbraw/zinc/48/87/12/944488712.db2.gz RVNXHSSXTIHOPI-UHFFFAOYSA-N 1 0 416.997 4.056 20 30 HIEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)c1 ZINC000561161331 944490543 /nfs/dbraw/zinc/49/05/43/944490543.db2.gz UGZIHPJWVJVEDE-UHFFFAOYSA-N 1 0 408.445 4.020 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCC[C@@H](CO)C2)cc1OCC ZINC000561750738 944778478 /nfs/dbraw/zinc/77/84/78/944778478.db2.gz RYYLEYVWYZQDTQ-JKSUJKDBSA-N 1 0 412.368 4.301 20 30 HIEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000561957638 944875288 /nfs/dbraw/zinc/87/52/88/944875288.db2.gz UPWHJPBUAVWRFT-BQFCYCMXSA-N 1 0 406.448 4.293 20 30 HIEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000564375198 945539672 /nfs/dbraw/zinc/53/96/72/945539672.db2.gz BNTQLXFNXWCVLB-KRWDZBQOSA-N 1 0 401.530 4.054 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000564395088 945552413 /nfs/dbraw/zinc/55/24/13/945552413.db2.gz IOYPUNJLFHSYPE-LADGPHEKSA-N 1 0 424.976 4.239 20 30 HIEDRO CN(CCOCc1ccc(C#N)cc1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 ZINC000565097765 945774284 /nfs/dbraw/zinc/77/42/84/945774284.db2.gz DKLLYDVASIMDNN-UHFFFAOYSA-N 1 0 416.403 4.276 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000565528078 945845151 /nfs/dbraw/zinc/84/51/51/945845151.db2.gz PORLKTZACHMUNI-FQEVSTJZSA-N 1 0 403.551 4.376 20 30 HIEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000566366315 946009797 /nfs/dbraw/zinc/00/97/97/946009797.db2.gz WSAABINPOMEWKI-KRWDZBQOSA-N 1 0 404.986 4.055 20 30 HIEDRO CCOc1cc(C[NH2+]Cc2ccc(C#N)c(OC)c2)cc(Br)c1OC ZINC000566827232 946120519 /nfs/dbraw/zinc/12/05/19/946120519.db2.gz UZHASKKOVTVNSF-UHFFFAOYSA-N 1 0 405.292 4.026 20 30 HIEDRO CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000568430642 946541371 /nfs/dbraw/zinc/54/13/71/946541371.db2.gz ZAIZEKKZMMXYOC-HXUWFJFHSA-N 1 0 416.997 4.151 20 30 HIEDRO Cc1cc(C[NH+]2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)ccc1C#N ZINC000569392610 946865372 /nfs/dbraw/zinc/86/53/72/946865372.db2.gz SAWSMZZIYGWWBX-UHFFFAOYSA-N 1 0 404.432 4.335 20 30 HIEDRO N#CC1(c2ccccn2)CCN(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000569710758 946949323 /nfs/dbraw/zinc/94/93/23/946949323.db2.gz XBXJILLGXUQUER-XMMPIXPASA-N 1 0 420.532 4.126 20 30 HIEDRO C[C@H]1C[C@@H](CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000570220993 947148941 /nfs/dbraw/zinc/14/89/41/947148941.db2.gz YQMIAQNWCICLBG-AZUAARDMSA-N 1 0 407.533 4.392 20 30 HIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)cc1 ZINC000571248727 947568970 /nfs/dbraw/zinc/56/89/70/947568970.db2.gz RYKUELCSAWNTAU-UHFFFAOYSA-N 1 0 424.238 4.054 20 30 HIEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000571353623 947614543 /nfs/dbraw/zinc/61/45/43/947614543.db2.gz OUUMKDWYHAVMCU-KNQAVFIVSA-N 1 0 418.541 4.422 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000572318550 947882765 /nfs/dbraw/zinc/88/27/65/947882765.db2.gz NPKQHNNSTHXRPE-HXUWFJFHSA-N 1 0 400.544 4.015 20 30 HIEDRO COc1ccc(C(=O)Nc2cccc(C[NH2+]Cc3ccc(C#N)c(OC)c3)c2)cc1 ZINC000572447695 947909179 /nfs/dbraw/zinc/90/91/79/947909179.db2.gz YKGYPMPVHYMBOZ-UHFFFAOYSA-N 1 0 401.466 4.118 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC(C)(C)[C@H]3CCC[C@H]32)c1C#N ZINC000572736137 947994150 /nfs/dbraw/zinc/99/41/50/947994150.db2.gz WBPZCBOTWKKGAQ-LEWJYISDSA-N 1 0 408.546 4.457 20 30 HIEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2)ccn1 ZINC000573410978 948197815 /nfs/dbraw/zinc/19/78/15/948197815.db2.gz POOJVTUFLRZBTH-HXOBKFHXSA-N 1 0 417.513 4.226 20 30 HIEDRO C=CC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000573617319 948251380 /nfs/dbraw/zinc/25/13/80/948251380.db2.gz YHPDEPSYFMVJPP-OAHLLOKOSA-N 1 0 412.419 4.302 20 30 HIEDRO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cccc(COc4cccc(C#N)c4)c3)n1)OC2 ZINC000575955016 948801062 /nfs/dbraw/zinc/80/10/62/948801062.db2.gz QXWWSHIVPQFDAT-URXFXBBRSA-N 1 0 416.481 4.113 20 30 HIEDRO N#Cc1cc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cnc1Cl ZINC001164627787 719079362 /nfs/dbraw/zinc/07/93/62/719079362.db2.gz QRDBBRAFOLNEFY-VQIMIIECSA-N 1 0 402.876 4.252 20 30 HIEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628525 719080474 /nfs/dbraw/zinc/08/04/74/719080474.db2.gz SGSKYSGJJFCYMS-APWZRJJASA-N 1 0 402.876 4.252 20 30 HIEDRO N#Cc1ccc(-c2cc(C(F)(F)N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)cnc2Cl)cc1 ZINC001164621880 719127048 /nfs/dbraw/zinc/12/70/48/719127048.db2.gz NMFRJBIBYQXKEI-YJBOKZPZSA-N 1 0 420.866 4.332 20 30 HIEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccc(C)cc3c(Cl)c1C#N)C2 ZINC001164810233 720207715 /nfs/dbraw/zinc/20/77/15/720207715.db2.gz AOYPYYWJFDZBTD-MHECFPHRSA-N 1 0 424.976 4.253 20 30 HIEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc3c(cc1C#N)CCCC3(C)C)[C@H]2C ZINC001164858050 721021111 /nfs/dbraw/zinc/02/11/11/721021111.db2.gz FNHVJDQLBMJXQK-KRWDZBQOSA-N 1 0 406.578 4.185 20 30 HIEDRO N#CC1(c2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2)CCC1 ZINC001164908547 721704049 /nfs/dbraw/zinc/70/40/49/721704049.db2.gz XVQJXBNIIWWJKF-HSZRJFAPSA-N 1 0 423.511 4.160 20 30 HIEDRO Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(C#N)c(C)c1Cl ZINC001165028085 721801729 /nfs/dbraw/zinc/80/17/29/721801729.db2.gz YFWSTWCALQREMD-DZFGPLHGSA-N 1 0 409.965 4.355 20 30 HIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)c(Cl)cc3C#N)C[C@H]21 ZINC001165022751 721812416 /nfs/dbraw/zinc/81/24/16/721812416.db2.gz HBPODZFIINVTID-POZUXBRTSA-N 1 0 416.356 4.392 20 30 HIEDRO N#Cc1cnc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@H](C2)O3)c2cc(-c3ccccc3)sc21 ZINC001164967631 722072577 /nfs/dbraw/zinc/07/25/77/722072577.db2.gz SIDISCCEKSBGFX-BGYRXZFFSA-N 1 0 416.550 4.134 20 30 HIEDRO O=C(c1ccc2c(c1)CCC2)C(C(=S)Nc1ccccc1)[n+]1cccc(CO)c1 ZINC000010170741 845625841 /nfs/dbraw/zinc/62/58/41/845625841.db2.gz QLZMATZBQGNSBC-UHFFFAOYSA-O 1 0 403.527 4.006 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2ccccc2)C(=S)Nc2ccc3c(c2)OCCO3)cc1 ZINC000010179571 845627643 /nfs/dbraw/zinc/62/76/43/845627643.db2.gz WNNXWAZBYVMCQO-UHFFFAOYSA-O 1 0 419.526 4.359 20 30 HIEDRO Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000010456876 845662789 /nfs/dbraw/zinc/66/27/89/845662789.db2.gz YEXBHRHJKLOLIM-UHFFFAOYSA-N 1 0 402.498 4.166 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000436288424 861594086 /nfs/dbraw/zinc/59/40/86/861594086.db2.gz FEIYKMAVLULVKE-ZTCOLXNVSA-N 1 0 413.583 4.367 20 30 HIEDRO COc1cccc(NC(=S)C(C(=O)c2cc(C)n(C)c2C)[n+]2cccc(C)c2)c1 ZINC000011260475 845772873 /nfs/dbraw/zinc/77/28/73/845772873.db2.gz CHHSESACRBELQS-UHFFFAOYSA-O 1 0 408.547 4.297 20 30 HIEDRO CCc1ccccc1NC(=S)C(C(=O)c1ccc(OC)cc1)[n+]1cccc(CO)c1 ZINC000015247496 846022791 /nfs/dbraw/zinc/02/27/91/846022791.db2.gz FFOVIZRUDCJRDF-UHFFFAOYSA-O 1 0 421.542 4.088 20 30 HIEDRO CCOc1ccc(C(=O)C(C(=S)Nc2ccccc2OC)[n+]2ccccc2)cc1 ZINC000022686072 846602898 /nfs/dbraw/zinc/60/28/98/846602898.db2.gz JEPGECDPYOTZHL-UHFFFAOYSA-O 1 0 407.515 4.432 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C(C)C)cc1)C(=S)NC[C@@H]1CCCO1 ZINC000022691885 846605333 /nfs/dbraw/zinc/60/53/33/846605333.db2.gz DZGIEZRLZNCYGH-NRFANRHFSA-O 1 0 411.591 4.367 20 30 HIEDRO COc1ccc(CNC(=S)C(C(=O)c2cc(C)ccc2C)[n+]2ccccc2)cc1 ZINC000022692833 846605452 /nfs/dbraw/zinc/60/54/52/846605452.db2.gz KKAXWOREKHMNEE-UHFFFAOYSA-O 1 0 405.543 4.328 20 30 HIEDRO CCOc1ccc(C(=O)C(C(=S)Nc2ccccc2C)[n+]2cccc(CO)c2)cc1 ZINC000022695797 846606561 /nfs/dbraw/zinc/60/65/61/846606561.db2.gz ICENFLCRYNNQEW-UHFFFAOYSA-O 1 0 421.542 4.224 20 30 HIEDRO CCOc1ccc(C(=O)C(C(=S)Nc2cccc(OC)c2)[n+]2ccccc2)cc1 ZINC000022728427 846610528 /nfs/dbraw/zinc/61/05/28/846610528.db2.gz VJDZRRGIWACLCL-UHFFFAOYSA-O 1 0 407.515 4.432 20 30 HIEDRO CCC(CC)c1cc[n+](C(C(=O)c2ccc(F)c(F)c2)C(=S)NCCOC)cc1 ZINC000022793079 846621691 /nfs/dbraw/zinc/62/16/91/846621691.db2.gz MJFBHLVSCHTGGL-UHFFFAOYSA-O 1 0 421.533 4.331 20 30 HIEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1OC ZINC000022884967 846632995 /nfs/dbraw/zinc/63/29/95/846632995.db2.gz GDCVOOHOZFNIKO-XETPZZHUSA-N 1 0 410.514 4.210 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2cc(C)cc(C)c2)[n+]2cccc(CO)c2)c(C)[nH]1 ZINC000023603882 846727106 /nfs/dbraw/zinc/72/71/06/846727106.db2.gz ODYZMQYMNFAIQX-UHFFFAOYSA-O 1 0 408.547 4.079 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2cccc(Cl)c2)[n+]2cccc(CO)c2)c(C)[nH]1 ZINC000023604053 846727122 /nfs/dbraw/zinc/72/71/22/846727122.db2.gz UDURJNCTPZVJNH-UHFFFAOYSA-O 1 0 414.938 4.116 20 30 HIEDRO COc1cccc(NC(=S)C(C(=O)c2cc(C)[nH]c2C)[n+]2ccc(N(C)C)cc2)c1 ZINC000023603528 846727180 /nfs/dbraw/zinc/72/71/80/846727180.db2.gz HGBCRFMTAACGBP-UHFFFAOYSA-O 1 0 423.562 4.045 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2Cc3ccccc3O2)cc1OC ZINC000027220137 847268511 /nfs/dbraw/zinc/26/85/11/847268511.db2.gz XWJKVWAJJPHLGL-INIZCTEOSA-N 1 0 404.304 4.116 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(NC(=O)C(C)(C)C)cc1)[n+]1ccc(C)cc1 ZINC000027310977 847281463 /nfs/dbraw/zinc/28/14/63/847281463.db2.gz KQRLQXCEQNAZNM-UHFFFAOYSA-O 1 0 424.590 4.372 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(NC(C)=O)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000027311369 847281644 /nfs/dbraw/zinc/28/16/44/847281644.db2.gz PLYGRXGYCYXVGA-UHFFFAOYSA-O 1 0 424.590 4.335 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(NC(=O)C(C)(C)C)cc1)[n+]1cccc(C)c1 ZINC000027310923 847281762 /nfs/dbraw/zinc/28/17/62/847281762.db2.gz DVHFVUHJVUSTIS-UHFFFAOYSA-O 1 0 424.590 4.372 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1cc(C)c(C)c(C)c1C)[n+]1ccc(N(C)C)cc1 ZINC000027311002 847281869 /nfs/dbraw/zinc/28/18/69/847281869.db2.gz XSHDHBJHTSECDG-UHFFFAOYSA-O 1 0 410.607 4.378 20 30 HIEDRO CC(=O)c1c(C)[nH]c(C(=O)C(C(=S)Nc2ccccc2F)[n+]2ccccc2)c1C ZINC000028695970 847450036 /nfs/dbraw/zinc/45/00/36/847450036.db2.gz BZBULQSTHQVJDA-UHFFFAOYSA-O 1 0 410.494 4.312 20 30 HIEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029831284 847628628 /nfs/dbraw/zinc/62/86/28/847628628.db2.gz BLRNJDDAJLSASG-ZWKOTPCHSA-N 1 0 420.488 4.482 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cc(C4CC4)nc4ccccc43)CC2)cc1 ZINC000029984974 847664091 /nfs/dbraw/zinc/66/40/91/847664091.db2.gz JAPCBVPPJVUPTK-UHFFFAOYSA-N 1 0 410.521 4.332 20 30 HIEDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)cc1Br ZINC000030509673 847724856 /nfs/dbraw/zinc/72/48/56/847724856.db2.gz PDIJXVDNYFZBKU-QWHCGFSZSA-N 1 0 402.292 4.007 20 30 HIEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)C(c1ccccc1)c1ccccc1 ZINC000030531838 847730795 /nfs/dbraw/zinc/73/07/95/847730795.db2.gz HIXQXTMCYVUNIN-GBXCKJPGSA-N 1 0 400.522 4.303 20 30 HIEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000049795836 849329642 /nfs/dbraw/zinc/32/96/42/849329642.db2.gz RMHASWFMDTVOHE-MRXNPFEDSA-N 1 0 418.463 4.411 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+](C)CCCc2ccccc2)c1C#N ZINC000052802620 849629068 /nfs/dbraw/zinc/62/90/68/849629068.db2.gz SYPXWXGBWACIOV-UHFFFAOYSA-N 1 0 404.514 4.121 20 30 HIEDRO CC(C)COC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000054323079 849847800 /nfs/dbraw/zinc/84/78/00/849847800.db2.gz PYRNVXHRVDCFIO-UHFFFAOYSA-N 1 0 403.592 4.354 20 30 HIEDRO COc1cc(C#N)ccc1OCC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000054537768 849885903 /nfs/dbraw/zinc/88/59/03/849885903.db2.gz FHEJNPMBFUTGJG-UHFFFAOYSA-N 1 0 407.514 4.349 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC(F)(F)F)c1ccccc1 ZINC000057130660 850558062 /nfs/dbraw/zinc/55/80/62/850558062.db2.gz OKGRLJFRFNCUKO-FQEVSTJZSA-N 1 0 418.463 4.325 20 30 HIEDRO COc1ccc2cc([C@H](C)C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)ccc2c1 ZINC000059876622 851019569 /nfs/dbraw/zinc/01/95/69/851019569.db2.gz HBAZPLQMVORBMB-IBGZPJMESA-N 1 0 415.537 4.414 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)c1C#N ZINC000061503032 851391403 /nfs/dbraw/zinc/39/14/03/851391403.db2.gz CZFCEVHKDDWUSJ-JOCHJYFZSA-N 1 0 420.582 4.428 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063403768 851680132 /nfs/dbraw/zinc/68/01/32/851680132.db2.gz SQQGGOGNMDNINE-UHFFFAOYSA-N 1 0 422.529 4.205 20 30 HIEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cnn(Cc2ccccc2)c1 ZINC000437083150 862275981 /nfs/dbraw/zinc/27/59/81/862275981.db2.gz FXPYIBJJIDOPHM-NWLLBJEDSA-N 1 0 401.514 4.239 20 30 HIEDRO CC[NH+]1CCN(c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)c(C)c2)CC1 ZINC000063777165 851760772 /nfs/dbraw/zinc/76/07/72/851760772.db2.gz FMOBJNRJJBVDII-UHFFFAOYSA-N 1 0 419.573 4.451 20 30 HIEDRO COc1ccc(C[NH2+]CCc2cc(Cl)c3c(c2)OCCO3)cc1OCCCC#N ZINC000064614430 851942155 /nfs/dbraw/zinc/94/21/55/851942155.db2.gz QMTRDBJEOBKSDG-UHFFFAOYSA-N 1 0 416.905 4.135 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064706476 851962283 /nfs/dbraw/zinc/96/22/83/851962283.db2.gz YSHFNWGRLAWPSQ-GOSISDBHSA-N 1 0 412.559 4.441 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)NCc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000065696558 852222700 /nfs/dbraw/zinc/22/27/00/852222700.db2.gz QQCGVQHXNDOKDE-HXUWFJFHSA-N 1 0 418.463 4.459 20 30 HIEDRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930404 852320857 /nfs/dbraw/zinc/32/08/57/852320857.db2.gz APUNYRZLMPMTGT-OAHLLOKOSA-N 1 0 420.340 4.223 20 30 HIEDRO C=C(C)C[N@@H+](CC)CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccc(OC)cc1 ZINC000096954696 852562016 /nfs/dbraw/zinc/56/20/16/852562016.db2.gz PLPPKEWSVCRIOQ-QFIPXVFZSA-N 1 0 405.542 4.323 20 30 HIEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000107606432 852781026 /nfs/dbraw/zinc/78/10/26/852781026.db2.gz VISFLNZNKYDPJE-IBGZPJMESA-N 1 0 421.589 4.037 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000107715155 852788934 /nfs/dbraw/zinc/78/89/34/852788934.db2.gz YJIXTKGQTKDUIP-LJQANCHMSA-N 1 0 407.583 4.482 20 30 HIEDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000109257710 852943001 /nfs/dbraw/zinc/94/30/01/852943001.db2.gz HBKOHOXFKHVYOW-LPHOPBHVSA-N 1 0 417.962 4.058 20 30 HIEDRO CCC[N@H+](Cc1cn2ccccc2c1C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000110287957 853083480 /nfs/dbraw/zinc/08/34/80/853083480.db2.gz UCBKUPFBQNNUSF-UHFFFAOYSA-N 1 0 400.526 4.328 20 30 HIEDRO Cc1oc(-c2ccccc2)nc1CON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000110458540 853102531 /nfs/dbraw/zinc/10/25/31/853102531.db2.gz YMHGCXDLWXJLSP-UHFFFAOYSA-N 1 0 404.514 4.473 20 30 HIEDRO N#CCCN(C(=O)CCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1 ZINC000110933854 853170407 /nfs/dbraw/zinc/17/04/07/853170407.db2.gz UUURNAMYWHRFRS-UHFFFAOYSA-N 1 0 418.541 4.338 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)ccc1OC ZINC000142946548 853503943 /nfs/dbraw/zinc/50/39/43/853503943.db2.gz PMTKRIIIHNJRQQ-UHFFFAOYSA-N 1 0 414.521 4.040 20 30 HIEDRO COc1ccc(C[NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1OCCCC#N ZINC000147200271 853583656 /nfs/dbraw/zinc/58/36/56/853583656.db2.gz SGCCTNJPJMVLCG-GOSISDBHSA-N 1 0 415.484 4.272 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cc1F ZINC000217778432 853862432 /nfs/dbraw/zinc/86/24/32/853862432.db2.gz HVBSGPLHTIJDLO-MRXNPFEDSA-N 1 0 420.488 4.403 20 30 HIEDRO CCCCCOc1cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)ccc1OC ZINC000236783842 853922154 /nfs/dbraw/zinc/92/21/54/853922154.db2.gz WFOOPJULCAKHHJ-UHFFFAOYSA-N 1 0 408.546 4.289 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@](C)(CO)c2ccccc2)cc1OC ZINC000237249653 853990699 /nfs/dbraw/zinc/99/06/99/853990699.db2.gz ALJGPPYJWXMORZ-HXUWFJFHSA-N 1 0 406.320 4.020 20 30 HIEDRO C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1ccc(O[C@@H](C)C#N)cc1 ZINC000237577835 854057034 /nfs/dbraw/zinc/05/70/34/854057034.db2.gz ORRQVCJRQJCOOF-MOPGFXCFSA-N 1 0 406.530 4.085 20 30 HIEDRO C=CCOc1ccc(C[NH2+]CCC(=O)Nc2cc(Br)ccc2C)cc1 ZINC000237789398 854098249 /nfs/dbraw/zinc/09/82/49/854098249.db2.gz NSQYNSGNMOXCGS-UHFFFAOYSA-N 1 0 403.320 4.441 20 30 HIEDRO N#CCCn1cc(C[NH2+]C[C@@H](c2ccco2)N2CCCCC2)c(-c2ccccc2)n1 ZINC000237831095 854105181 /nfs/dbraw/zinc/10/51/81/854105181.db2.gz JDEGUWCZSAXDRL-QFIPXVFZSA-N 1 0 403.530 4.374 20 30 HIEDRO N#CCCn1cc(C[NH2+]CC2(N3CCSCC3)CCCCC2)c(-c2ccccc2)n1 ZINC000237829345 854105549 /nfs/dbraw/zinc/10/55/49/854105549.db2.gz ADOFJASNVUKYOL-UHFFFAOYSA-N 1 0 423.630 4.305 20 30 HIEDRO FC(F)(F)c1ccc(C#CC[NH2+]Cc2cnc3ccc(Br)cn23)cc1 ZINC000237870546 854111425 /nfs/dbraw/zinc/11/14/25/854111425.db2.gz CFCYFODXAAEGIX-UHFFFAOYSA-N 1 0 408.221 4.257 20 30 HIEDRO N#CCCn1cc(C[NH2+]C[C@@H](O)c2cccc(C(F)(F)F)c2)c(-c2ccccc2)n1 ZINC000237953929 854124322 /nfs/dbraw/zinc/12/43/22/854124322.db2.gz BZDULFPNJLIIHO-HXUWFJFHSA-N 1 0 414.431 4.306 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCCS(=O)(=O)c2ccccc2)c1 ZINC000238015913 854133485 /nfs/dbraw/zinc/13/34/85/854133485.db2.gz UWZHTPRVJVWXER-UHFFFAOYSA-N 1 0 420.534 4.091 20 30 HIEDRO C[C@H](O/[NH+]=C/c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000301144872 854309982 /nfs/dbraw/zinc/30/99/82/854309982.db2.gz LFBMULFTAJZVBU-WLXKGNRNSA-N 1 0 409.530 4.198 20 30 HIEDRO COc1ccccc1[C@@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[NH+]1CCCC1 ZINC000301542554 854416968 /nfs/dbraw/zinc/41/69/68/854416968.db2.gz SMYBYMATFYTBSH-OAQYLSRUSA-N 1 0 417.469 4.272 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000301907248 854489895 /nfs/dbraw/zinc/48/98/95/854489895.db2.gz QZTFFLXZRAPYSQ-QGZVFWFLSA-N 1 0 401.470 4.115 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3nn4cc(C5CCCC5)nc4s3)CC2)cc1 ZINC000302421568 854570078 /nfs/dbraw/zinc/57/00/78/854570078.db2.gz JAMGHPNPQDGAAW-UHFFFAOYSA-N 1 0 406.559 4.032 20 30 HIEDRO COc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000302950062 854692960 /nfs/dbraw/zinc/69/29/60/854692960.db2.gz DBGHIRPDUQCPDP-JOCHJYFZSA-N 1 0 405.542 4.266 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cn(-c3ccc(F)cc3)nc2-c2ccc(C)cc2)CC1 ZINC000303266275 854841911 /nfs/dbraw/zinc/84/19/11/854841911.db2.gz ITHTZRWBBNVEAW-UHFFFAOYSA-N 1 0 418.516 4.367 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1 ZINC000303295915 854858364 /nfs/dbraw/zinc/85/83/64/854858364.db2.gz PBLPXJBNTZJSLI-UHFFFAOYSA-N 1 0 415.877 4.421 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000303343380 854883168 /nfs/dbraw/zinc/88/31/68/854883168.db2.gz MAWQGOJNZQCWIF-SFHVURJKSA-N 1 0 408.571 4.081 20 30 HIEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000303361151 854891818 /nfs/dbraw/zinc/89/18/18/854891818.db2.gz JCBPYVYTSYROAN-KRWDZBQOSA-N 1 0 419.504 4.217 20 30 HIEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000303503259 854992098 /nfs/dbraw/zinc/99/20/98/854992098.db2.gz VJWJYIYCRWQGBP-CWAQXLGLSA-N 1 0 405.517 4.166 20 30 HIEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)c(OC)c1 ZINC000303740039 855165112 /nfs/dbraw/zinc/16/51/12/855165112.db2.gz YUECUFZMDKJVCH-VNZMSGEBSA-N 1 0 413.583 4.342 20 30 HIEDRO COc1cc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000303773888 855189697 /nfs/dbraw/zinc/18/96/97/855189697.db2.gz FOKIVPNHFGGXGW-LLVKDONJSA-N 1 0 412.317 4.185 20 30 HIEDRO [NH2+]=C(NCCc1ccc(Br)s1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303782776 855195773 /nfs/dbraw/zinc/19/57/73/855195773.db2.gz NPDNJFHJJRHLPN-UHFFFAOYSA-N 1 0 408.243 4.379 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)cc1 ZINC000303869611 855261680 /nfs/dbraw/zinc/26/16/80/855261680.db2.gz DZOXNBGFWNWIOI-UHFFFAOYSA-N 1 0 417.435 4.443 20 30 HIEDRO CCCOc1ccccc1Oc1ncccc1CNC(=[NH2+])NCCc1ccccc1 ZINC000303870751 855261734 /nfs/dbraw/zinc/26/17/34/855261734.db2.gz BKFNSAFDYFJJRR-UHFFFAOYSA-N 1 0 404.514 4.310 20 30 HIEDRO COc1cccc(OC)c1Oc1ccc(CNC(=[NH+]Cc2ccccc2)N(C)C)cn1 ZINC000303886592 855270381 /nfs/dbraw/zinc/27/03/81/855270381.db2.gz KGYTZXKQAFBQRS-UHFFFAOYSA-N 1 0 420.513 4.099 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(N3CCCCCC3)nc2)c1 ZINC000303894487 855274495 /nfs/dbraw/zinc/27/44/95/855274495.db2.gz OXAGWKZJSCMEBX-UHFFFAOYSA-N 1 0 411.550 4.186 20 30 HIEDRO Cc1ccc(NC(=[NH2+])NC[C@H]2CCN(c3ccc(Br)cc3)C2)cc1C ZINC000303894237 855274608 /nfs/dbraw/zinc/27/46/08/855274608.db2.gz SJHVPNKNMHZBNB-MRXNPFEDSA-N 1 0 401.352 4.319 20 30 HIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000303898345 855276567 /nfs/dbraw/zinc/27/65/67/855276567.db2.gz VMGONUDREBQORV-QRVBRYPASA-N 1 0 422.573 4.376 20 30 HIEDRO COc1ccc(C)cc1C1(CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)CCOCC1 ZINC000303902624 855278655 /nfs/dbraw/zinc/27/86/55/855278655.db2.gz XYJCVMWKMYRASQ-UHFFFAOYSA-N 1 0 411.546 4.266 20 30 HIEDRO COc1ccccc1N1CC[C@H](CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000303988516 855337496 /nfs/dbraw/zinc/33/74/96/855337496.db2.gz WSFMXZLYVSRWNF-LSDHHAIUSA-N 1 0 421.372 4.494 20 30 HIEDRO [NH2+]=C(NCCNC(=O)c1ccccc1Cl)Nc1cccc(Oc2ccccc2)c1 ZINC000304504131 855356458 /nfs/dbraw/zinc/35/64/58/855356458.db2.gz SYVBJYHWNRMTLZ-UHFFFAOYSA-N 1 0 408.889 4.289 20 30 HIEDRO [NH2+]=C(NCc1cccc(COCc2ccccc2)c1)N[C@H]1CCOc2ccccc21 ZINC000304516947 855356698 /nfs/dbraw/zinc/35/66/98/855356698.db2.gz ZPVHELVPRYNHCU-QHCPKHFHSA-N 1 0 401.510 4.332 20 30 HIEDRO [NH2+]=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc(Oc2ccccc2)c1 ZINC000304493426 855356762 /nfs/dbraw/zinc/35/67/62/855356762.db2.gz OPLDLMPWYPCGLV-UHFFFAOYSA-N 1 0 402.498 4.242 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000304738672 855357717 /nfs/dbraw/zinc/35/77/17/855357717.db2.gz AWEYSOOANZWNPG-UHFFFAOYSA-N 1 0 405.420 4.281 20 30 HIEDRO COc1ccc(C)cc1C1(CNC(=[NH2+])Nc2cccc3c2CCCC3)CCOCC1 ZINC000304684523 855357833 /nfs/dbraw/zinc/35/78/33/855357833.db2.gz PPYOWIJNEPTVRP-UHFFFAOYSA-N 1 0 407.558 4.357 20 30 HIEDRO COc1ccc(OC)c(NC(=[NH2+])NC[C@H](C)Sc2ccc(Br)cc2)c1 ZINC000304760146 855357987 /nfs/dbraw/zinc/35/79/87/855357987.db2.gz RZVWLCDBKJDMQD-LBPRGKRZSA-N 1 0 424.364 4.374 20 30 HIEDRO [NH2+]=C(NCCCN1C(=O)COc2ccccc21)Nc1cccc(Oc2ccccc2)c1 ZINC000304762057 855359003 /nfs/dbraw/zinc/35/90/03/855359003.db2.gz VFIPBJSLMWJECQ-UHFFFAOYSA-N 1 0 416.481 4.021 20 30 HIEDRO N#Cc1cccc(-n2ccc(C(=O)NCc3ccccc3C[NH+]3CCCCCC3)n2)c1 ZINC000409698260 855607378 /nfs/dbraw/zinc/60/73/78/855607378.db2.gz CTFDAGXULDBNFW-UHFFFAOYSA-N 1 0 413.525 4.050 20 30 HIEDRO CC(C)[N@H+](CCCC1(C#N)CCOCC1)C[C@@H](O)COc1cccc2ccccc21 ZINC000410344637 855939359 /nfs/dbraw/zinc/93/93/59/855939359.db2.gz KWAXIIYZFQDNLZ-JOCHJYFZSA-N 1 0 410.558 4.390 20 30 HIEDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1OC1CCCC1 ZINC000410375484 855959796 /nfs/dbraw/zinc/95/97/96/855959796.db2.gz YACJGOGHJJGXAH-UHFFFAOYSA-N 1 0 421.541 4.092 20 30 HIEDRO COc1cc(C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC000426194384 856168044 /nfs/dbraw/zinc/16/80/44/856168044.db2.gz AQEKJMAEGSATAJ-OAQYLSRUSA-N 1 0 422.525 4.309 20 30 HIEDRO C[C@@H]1C[N@@H+](CCC2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)C[C@H](C)O1 ZINC000426394650 856272973 /nfs/dbraw/zinc/27/29/73/856272973.db2.gz KAQAMASZPDYPGF-IYBDPMFKSA-N 1 0 414.500 4.100 20 30 HIEDRO O=C(Nc1ccc(Cl)cn1)C1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426406792 856278250 /nfs/dbraw/zinc/27/82/50/856278250.db2.gz WJRURTDKALLIRE-UHFFFAOYSA-N 1 0 421.850 4.456 20 30 HIEDRO Cc1sc(NC(=O)CN2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(C#N)c1C ZINC000427000308 856588291 /nfs/dbraw/zinc/58/82/91/856588291.db2.gz BSSLYJBLMOLPNK-UHFFFAOYSA-N 1 0 410.587 4.019 20 30 HIEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427243938 856733192 /nfs/dbraw/zinc/73/31/92/856733192.db2.gz AZIBCVAUZNSASI-IBGZPJMESA-N 1 0 421.520 4.065 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ncc(Br)cc1F ZINC000427717229 856921335 /nfs/dbraw/zinc/92/13/35/856921335.db2.gz FPRPCWKQUJHHHH-WFASDCNBSA-N 1 0 421.289 4.314 20 30 HIEDRO OC1(C(F)F)CC[NH+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CC1 ZINC000428445339 857206241 /nfs/dbraw/zinc/20/62/41/857206241.db2.gz GEJPQOBXYCQTTG-GFCCVEGCSA-N 1 0 407.301 4.151 20 30 HIEDRO C[C@@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1CCC(=O)Nc1cccc(C#N)c1 ZINC000428813369 857357359 /nfs/dbraw/zinc/35/73/59/857357359.db2.gz PLHJSJITKHWXSW-FOIQADDNSA-N 1 0 417.431 4.368 20 30 HIEDRO CS(=O)(=O)CC[C@H]1CCCC[N@@H+]1CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000428856476 857373732 /nfs/dbraw/zinc/37/37/32/857373732.db2.gz LSVYUIKDSFVXET-HSZRJFAPSA-N 1 0 410.583 4.176 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1OCCc2sccc21 ZINC000429166845 857538658 /nfs/dbraw/zinc/53/86/58/857538658.db2.gz JZWOPTFBEHDHPM-ZUOKHONESA-N 1 0 415.584 4.181 20 30 HIEDRO N#CC1(CCC[NH2+][C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CCOCC1 ZINC000429378764 857632531 /nfs/dbraw/zinc/63/25/31/857632531.db2.gz QRVWIPACFNCMAE-ZJSXRUAMSA-N 1 0 424.516 4.267 20 30 HIEDRO COc1cc(CN2CC[N@@H+](C3CCC3)C[C@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000429378630 857632657 /nfs/dbraw/zinc/63/26/57/857632657.db2.gz ASOYZOSFPBXQQW-HXUWFJFHSA-N 1 0 419.569 4.452 20 30 HIEDRO C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@@H+](C2CCC2)C1 ZINC000429396920 857641153 /nfs/dbraw/zinc/64/11/53/857641153.db2.gz XTWLKMMSURGLIH-KRWDZBQOSA-N 1 0 414.619 4.023 20 30 HIEDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2sc3ccc(C#N)cc3c2C)CC1 ZINC000429852831 857911527 /nfs/dbraw/zinc/91/15/27/857911527.db2.gz XGLCJMFXRBMPKP-UHFFFAOYSA-N 1 0 404.539 4.476 20 30 HIEDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1OCc1cccs1 ZINC000430182079 858070136 /nfs/dbraw/zinc/07/01/36/858070136.db2.gz XGZMFHIKHDMCQZ-IBGZPJMESA-N 1 0 421.522 4.256 20 30 HIEDRO CC(C)c1ccc2c(c1)[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)CC2 ZINC000430187704 858073268 /nfs/dbraw/zinc/07/32/68/858073268.db2.gz RKYSVDJTDFISHM-DEOSSOPVSA-N 1 0 404.558 4.442 20 30 HIEDRO CC(C)c1ccc2c(c1)[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)CC2 ZINC000430187705 858073477 /nfs/dbraw/zinc/07/34/77/858073477.db2.gz RKYSVDJTDFISHM-XMMPIXPASA-N 1 0 404.558 4.442 20 30 HIEDRO C=CCN1C(=O)N(C2CC[NH+](Cc3ccccc3C)CC2)C(=O)[C@H]1Cc1ccccc1 ZINC000430750355 858287972 /nfs/dbraw/zinc/28/79/72/858287972.db2.gz ZCTZHKPPUWHZPJ-XMMPIXPASA-N 1 0 417.553 4.021 20 30 HIEDRO C[C@@H]1C[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000431209118 858504103 /nfs/dbraw/zinc/50/41/03/858504103.db2.gz PYVGYWOEICSXOC-QAPCUYQASA-N 1 0 414.456 4.334 20 30 HIEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000431452127 858623898 /nfs/dbraw/zinc/62/38/98/858623898.db2.gz MFSLZXYGFJARKK-XXBNENTESA-N 1 0 405.546 4.341 20 30 HIEDRO C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000431735457 858773368 /nfs/dbraw/zinc/77/33/68/858773368.db2.gz JDKOHBHNXRGEAN-HXOBKFHXSA-N 1 0 408.521 4.094 20 30 HIEDRO N#CCCC[C@@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000431901800 858862772 /nfs/dbraw/zinc/86/27/72/858862772.db2.gz YHCVPIMGJQONIS-DNQXCXABSA-N 1 0 420.557 4.012 20 30 HIEDRO Cc1nc(-c2ccc(C)cc2NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)n[nH]1 ZINC000433011233 859477426 /nfs/dbraw/zinc/47/74/26/859477426.db2.gz NKOGPVBYZYCRCA-FQEVSTJZSA-N 1 0 402.502 4.052 20 30 HIEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433212217 859569328 /nfs/dbraw/zinc/56/93/28/859569328.db2.gz GMRDFYWYAWRHTC-UHFFFAOYSA-N 1 0 422.960 4.138 20 30 HIEDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000433311827 859632160 /nfs/dbraw/zinc/63/21/60/859632160.db2.gz NYNAXJHMNHUFHE-SFHVURJKSA-N 1 0 416.529 4.133 20 30 HIEDRO COc1cccc(C2(C[NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)CCCC2)c1 ZINC000433322542 859641212 /nfs/dbraw/zinc/64/12/12/859641212.db2.gz QVFUDVZTNJPLOI-UHFFFAOYSA-N 1 0 415.541 4.469 20 30 HIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433462886 859713855 /nfs/dbraw/zinc/71/38/55/859713855.db2.gz MMKWFLAPBRAWRO-LJQANCHMSA-N 1 0 422.529 4.281 20 30 HIEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000433833299 859921811 /nfs/dbraw/zinc/92/18/11/859921811.db2.gz NFUUJBDTCOTBKI-HXUWFJFHSA-N 1 0 407.562 4.491 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](c2c(F)cccc2Cl)N2CCCCC2)CC1 ZINC000434134225 860133836 /nfs/dbraw/zinc/13/38/36/860133836.db2.gz HGRCBBTWTAXIPQ-OAQYLSRUSA-N 1 0 407.961 4.163 20 30 HIEDRO C=CCc1cc(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)cc(OC)c1OC ZINC000434176964 860170055 /nfs/dbraw/zinc/17/00/55/860170055.db2.gz JJGNHAPLIANOHL-UHFFFAOYSA-N 1 0 424.541 4.184 20 30 HIEDRO CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000434611666 860428204 /nfs/dbraw/zinc/42/82/04/860428204.db2.gz JLTWKJOPXBALHF-JOCHJYFZSA-N 1 0 405.477 4.151 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)CCCCCO)sc2C1 ZINC000434683376 860458179 /nfs/dbraw/zinc/45/81/79/860458179.db2.gz GGJRRNYNARHIGL-MRXNPFEDSA-N 1 0 405.608 4.194 20 30 HIEDRO COC(=O)[C@@H](NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000434865670 860528312 /nfs/dbraw/zinc/52/83/12/860528312.db2.gz SEXRNDYAMRZQSR-GLDPYIMESA-N 1 0 405.542 4.040 20 30 HIEDRO COC(=O)[C@H](NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000434871025 860529028 /nfs/dbraw/zinc/52/90/28/860529028.db2.gz UVAZZMRFRNITBQ-AXHZCLLHSA-N 1 0 405.542 4.040 20 30 HIEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000435103319 860642762 /nfs/dbraw/zinc/64/27/62/860642762.db2.gz MGVPMXULCTYLOB-YADHBBJMSA-N 1 0 418.541 4.422 20 30 HIEDRO N#Cc1cc(F)ccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000435173393 860677902 /nfs/dbraw/zinc/67/79/02/860677902.db2.gz LCESEQQLFBMLJA-KRWDZBQOSA-N 1 0 406.383 4.112 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc1C#N ZINC000435541072 860854835 /nfs/dbraw/zinc/85/48/35/860854835.db2.gz FQHWVIDKBYOZPT-UHFFFAOYSA-N 1 0 412.559 4.441 20 30 HIEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000435551748 860866979 /nfs/dbraw/zinc/86/69/79/860866979.db2.gz NOTIYVVYNZCDKI-UHFFFAOYSA-N 1 0 407.518 4.050 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1 ZINC000435752313 861030088 /nfs/dbraw/zinc/03/00/88/861030088.db2.gz JXDNELMHHOUQRE-QPPBQGQZSA-N 1 0 417.553 4.408 20 30 HIEDRO N#Cc1csc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000437743532 863069292 /nfs/dbraw/zinc/06/92/92/863069292.db2.gz IIHTXTILQVNISU-MRXNPFEDSA-N 1 0 407.461 4.146 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000437961286 863333546 /nfs/dbraw/zinc/33/35/46/863333546.db2.gz GVXLXJNCVRFSQW-WIYYLYMNSA-N 1 0 406.530 4.392 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)cc2Cl)c1 ZINC000437963520 863334789 /nfs/dbraw/zinc/33/47/89/863334789.db2.gz OUAWUANICCRPCL-FQEVSTJZSA-N 1 0 422.916 4.269 20 30 HIEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000437968443 863338026 /nfs/dbraw/zinc/33/80/26/863338026.db2.gz DKVMPPSMDUEVMF-GOSISDBHSA-N 1 0 414.456 4.145 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3C[C@H](c4cccc(Cl)c4)C3)CC2)cc1 ZINC000438058884 863429503 /nfs/dbraw/zinc/42/95/03/863429503.db2.gz XWIZOVAMAPYYOW-AFARHQOCSA-N 1 0 422.960 4.375 20 30 HIEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000438064587 863438312 /nfs/dbraw/zinc/43/83/12/863438312.db2.gz KCSZVGQURSDCGK-DEOSSOPVSA-N 1 0 424.548 4.467 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000438465891 863887419 /nfs/dbraw/zinc/88/74/19/863887419.db2.gz LVEQQYFLCBRINJ-UHFFFAOYSA-N 1 0 404.283 4.335 20 30 HIEDRO C=CCOc1cccc(NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)c1 ZINC000438652640 864095011 /nfs/dbraw/zinc/09/50/11/864095011.db2.gz XUORLUOSUBBFFA-KRWDZBQOSA-N 1 0 407.514 4.189 20 30 HIEDRO C=CCN(CCc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000438667276 864124938 /nfs/dbraw/zinc/12/49/38/864124938.db2.gz BKBMDAZGDPZUQJ-UHFFFAOYSA-N 1 0 422.573 4.100 20 30 HIEDRO COc1ccc(C#N)cc1C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000438726971 864209174 /nfs/dbraw/zinc/20/91/74/864209174.db2.gz VWKKQZORHYHATP-UHFFFAOYSA-N 1 0 401.304 4.125 20 30 HIEDRO N#CCC[C@@H](NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000438844078 864338643 /nfs/dbraw/zinc/33/86/43/864338643.db2.gz XIFJGQYDQYHEPA-HSZRJFAPSA-N 1 0 406.530 4.005 20 30 HIEDRO COc1ccc([C@@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000438850249 864345287 /nfs/dbraw/zinc/34/52/87/864345287.db2.gz USTHHLQQCAAKGJ-XZOQPEGZSA-N 1 0 406.530 4.176 20 30 HIEDRO N#CCC[C@@H](NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000438859343 864352962 /nfs/dbraw/zinc/35/29/62/864352962.db2.gz BXWALLBQEJANKU-XMMPIXPASA-N 1 0 404.558 4.382 20 30 HIEDRO C[NH+](C)CC(C)(C)CN(C(=O)c1cc(C#N)cs1)c1ccc(Br)cn1 ZINC000439292271 864714317 /nfs/dbraw/zinc/71/43/17/864714317.db2.gz AVSQCTUKPMMRAV-UHFFFAOYSA-N 1 0 421.364 4.012 20 30 HIEDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000439529091 864865717 /nfs/dbraw/zinc/86/57/17/864865717.db2.gz RRGXVTCFFZRHFL-UHFFFAOYSA-N 1 0 410.493 4.226 20 30 HIEDRO Cc1ccccc1C1(C[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CCOCC1 ZINC000439570133 864892764 /nfs/dbraw/zinc/89/27/64/864892764.db2.gz MDEFOGBOJSERGP-HXUWFJFHSA-N 1 0 423.532 4.107 20 30 HIEDRO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000439601450 864923776 /nfs/dbraw/zinc/92/37/76/864923776.db2.gz MFFBMVDLKLYJME-GOSISDBHSA-N 1 0 412.578 4.164 20 30 HIEDRO CCCc1c(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439669979 865001011 /nfs/dbraw/zinc/00/10/11/865001011.db2.gz GDOFYGHWPXWWEU-QZTJIDSGSA-N 1 0 408.550 4.081 20 30 HIEDRO CCCc1c(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)cnn1-c1cccc(C#N)c1 ZINC000439691806 865028487 /nfs/dbraw/zinc/02/84/87/865028487.db2.gz NYXNMKFABZPPLC-UHFFFAOYSA-N 1 0 410.566 4.279 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc(C#N)cc1F ZINC000468028496 881861488 /nfs/dbraw/zinc/86/14/88/881861488.db2.gz IBRUOSMEOPKQRT-CJNGLKHVSA-N 1 0 405.395 4.168 20 30 HIEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cccc(C#N)c2)[C@H]2CCCC[C@H]12 ZINC000439990239 865300664 /nfs/dbraw/zinc/30/06/64/865300664.db2.gz UBWDNLCMDQVCJN-YMTGICSTSA-N 1 0 424.589 4.071 20 30 HIEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000440250694 865493617 /nfs/dbraw/zinc/49/36/17/865493617.db2.gz BFRWZOKZSDNWCL-PKTZIBPZSA-N 1 0 405.546 4.123 20 30 HIEDRO C=CCc1ccccc1OC[C@H](O)CN(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000440551470 865815870 /nfs/dbraw/zinc/81/58/70/865815870.db2.gz CCDFRKYKGNLXNT-QPPBQGQZSA-N 1 0 423.944 4.320 20 30 HIEDRO Cc1nc(-c2ccc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2)cs1 ZINC000440756472 865891766 /nfs/dbraw/zinc/89/17/66/865891766.db2.gz GEXWTRCHNLUDIO-UHFFFAOYSA-N 1 0 404.539 4.194 20 30 HIEDRO CCCC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000440819419 865933807 /nfs/dbraw/zinc/93/38/07/865933807.db2.gz MAYZXAGPYRUAEM-HSZRJFAPSA-N 1 0 420.557 4.454 20 30 HIEDRO COc1ccc(NC(=O)C2([NH2+]CC#Cc3ccccc3Cl)CCCC2)cc1OC ZINC000441266178 866340634 /nfs/dbraw/zinc/34/06/34/866340634.db2.gz TVRJNBVGFLODLN-UHFFFAOYSA-N 1 0 412.917 4.250 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3ccncc3OCC(F)F)c2)c1 ZINC000441388104 866459553 /nfs/dbraw/zinc/45/95/53/866459553.db2.gz YUJZEVKTFSKJQJ-UHFFFAOYSA-N 1 0 409.436 4.466 20 30 HIEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000441551279 866627797 /nfs/dbraw/zinc/62/77/97/866627797.db2.gz UZLQYPAVNGZKOT-UHFFFAOYSA-N 1 0 416.460 4.202 20 30 HIEDRO CS(=O)(=O)c1cccc([C@H]([NH2+]CC2CCC(C#N)CC2)c2ccc(F)c(F)c2)c1 ZINC000442848648 867696624 /nfs/dbraw/zinc/69/66/24/867696624.db2.gz AVBKZLFFMLNKTF-LGHDPPOTSA-N 1 0 418.509 4.377 20 30 HIEDRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CC2CCC(C#N)CC2)c2ccc(F)cc2F)c1 ZINC000442865727 867704838 /nfs/dbraw/zinc/70/48/38/867704838.db2.gz GGBIBOZDOPZQES-WTOQYCPUSA-N 1 0 418.509 4.377 20 30 HIEDRO Cc1cc(C[NH2+]Cc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)ccc1C#N ZINC000443982423 868507134 /nfs/dbraw/zinc/50/71/34/868507134.db2.gz CEIRPXWZZYPFGX-UHFFFAOYSA-N 1 0 409.486 4.096 20 30 HIEDRO C=CCOc1ccc(C[NH2+]C2(c3ccc(OC)c(F)c3)CCOCC2)cc1OC ZINC000444011707 868535191 /nfs/dbraw/zinc/53/51/91/868535191.db2.gz JLDQGHQOODZXFL-UHFFFAOYSA-N 1 0 401.478 4.203 20 30 HIEDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000444039406 868575872 /nfs/dbraw/zinc/57/58/72/868575872.db2.gz STXWWQZYVHMVFY-UHFFFAOYSA-N 1 0 408.546 4.383 20 30 HIEDRO COc1cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000444190501 868658966 /nfs/dbraw/zinc/65/89/66/868658966.db2.gz HKEPRNVGCRGWAL-DEOSSOPVSA-N 1 0 419.569 4.454 20 30 HIEDRO Cc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)c(OCC[NH+](C)C)c1 ZINC000444256034 868702542 /nfs/dbraw/zinc/70/25/42/868702542.db2.gz HMVVQNAAEXJDSZ-UHFFFAOYSA-N 1 0 404.514 4.446 20 30 HIEDRO CC(C)(C#N)CCCC[NH+]1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000444579918 868889291 /nfs/dbraw/zinc/88/92/91/868889291.db2.gz AOECBRDXURDMKL-UHFFFAOYSA-N 1 0 401.942 4.228 20 30 HIEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(OCc2ccccc2)c1 ZINC000444706485 868966566 /nfs/dbraw/zinc/96/65/66/868966566.db2.gz OBEUSFASGSOGGO-IBGZPJMESA-N 1 0 420.534 4.262 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000468334562 882266810 /nfs/dbraw/zinc/26/68/10/882266810.db2.gz SUNXVFMVMKAZJZ-HNNXBMFYSA-N 1 0 414.377 4.443 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000445242464 869298905 /nfs/dbraw/zinc/29/89/05/869298905.db2.gz TVMALGPVTDXFKJ-UHFFFAOYSA-N 1 0 420.513 4.355 20 30 HIEDRO O=C(C[NH2+][C@H]1CCC[C@@H]1c1ccccc1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000445995166 869958267 /nfs/dbraw/zinc/95/82/67/869958267.db2.gz YHLNRDQZITXBQI-RTWAWAEBSA-N 1 0 400.444 4.099 20 30 HIEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cc1F ZINC000446330130 870245886 /nfs/dbraw/zinc/24/58/86/870245886.db2.gz IFSFNJMQRZIABV-UHFFFAOYSA-N 1 0 406.461 4.358 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)c1C#N ZINC000447733418 871683402 /nfs/dbraw/zinc/68/34/02/871683402.db2.gz YMKJUVSUTCEVPA-IBGZPJMESA-N 1 0 408.527 4.190 20 30 HIEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448285561 872212897 /nfs/dbraw/zinc/21/28/97/872212897.db2.gz MKQFSBCFSXOZHG-HNAYVOBHSA-N 1 0 408.464 4.359 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000460367219 873000151 /nfs/dbraw/zinc/00/01/51/873000151.db2.gz ASWOFQJXTGOCHQ-YUVXSKOASA-N 1 0 409.578 4.018 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460566470 873296355 /nfs/dbraw/zinc/29/63/55/873296355.db2.gz SGLBTMJYHLUOFZ-LEWJYISDSA-N 1 0 409.578 4.113 20 30 HIEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460572238 873306284 /nfs/dbraw/zinc/30/62/84/873306284.db2.gz AYDWKISIYFETAX-AZUAARDMSA-N 1 0 404.562 4.378 20 30 HIEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460572241 873306517 /nfs/dbraw/zinc/30/65/17/873306517.db2.gz AYDWKISIYFETAX-UYAOXDASSA-N 1 0 404.562 4.378 20 30 HIEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000460770575 873618243 /nfs/dbraw/zinc/61/82/43/873618243.db2.gz RRLZLULMOPLWDX-NNWRFLSQSA-N 1 0 409.578 4.368 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460775892 873627681 /nfs/dbraw/zinc/62/76/81/873627681.db2.gz HQRRHXKXBXPADT-PABCKOPISA-N 1 0 423.605 4.441 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460777796 873629581 /nfs/dbraw/zinc/62/95/81/873629581.db2.gz IXBQFKDHTIFLON-CWKRKGSWSA-N 1 0 423.605 4.266 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460788709 873648805 /nfs/dbraw/zinc/64/88/05/873648805.db2.gz ABWFMSIYVZCNMV-SIKLNZKXSA-N 1 0 409.578 4.053 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460793882 873659972 /nfs/dbraw/zinc/65/99/72/873659972.db2.gz MOIMFDSVTHQOFP-SWUCNREESA-N 1 0 423.605 4.266 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460793884 873660761 /nfs/dbraw/zinc/66/07/61/873660761.db2.gz MOIMFDSVTHQOFP-UDIDDNNKSA-N 1 0 423.605 4.266 20 30 HIEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460810551 873688788 /nfs/dbraw/zinc/68/87/88/873688788.db2.gz DADCBDPTWXBGIP-CTNGQTDRSA-N 1 0 406.578 4.024 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc(NC(=O)CC(C)(C)C)ccc1Cl ZINC000460844464 873738061 /nfs/dbraw/zinc/73/80/61/873738061.db2.gz DXYXNSQJZCFQHP-UHFFFAOYSA-N 1 0 406.958 4.022 20 30 HIEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460945292 873844831 /nfs/dbraw/zinc/84/48/31/873844831.db2.gz VSOHHTKKJZQNMZ-UHFFFAOYSA-N 1 0 419.573 4.333 20 30 HIEDRO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000460952205 873850509 /nfs/dbraw/zinc/85/05/09/873850509.db2.gz NZPSVEXKXCXNKL-NNWRFLSQSA-N 1 0 409.578 4.020 20 30 HIEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460953356 873851607 /nfs/dbraw/zinc/85/16/07/873851607.db2.gz DXODKJRZVQPDIN-QUCCMNQESA-N 1 0 402.546 4.132 20 30 HIEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460961176 873857072 /nfs/dbraw/zinc/85/70/72/873857072.db2.gz RZHAYXMLWIRHHO-RBBKRZOGSA-N 1 0 416.573 4.406 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1C ZINC000461266894 874275777 /nfs/dbraw/zinc/27/57/77/874275777.db2.gz YIHMRPGCPPLULY-NRFANRHFSA-N 1 0 407.562 4.027 20 30 HIEDRO C=CCc1cc(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc(OC)c1OC ZINC000461432744 874478673 /nfs/dbraw/zinc/47/86/73/874478673.db2.gz VJIXBCGUBYEKQN-GGAORHGYSA-N 1 0 420.553 4.026 20 30 HIEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000461438377 874491378 /nfs/dbraw/zinc/49/13/78/874491378.db2.gz LNCHVNHFNSQUAC-OAQYLSRUSA-N 1 0 403.526 4.085 20 30 HIEDRO COc1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@@H](c1ccccc1)C2 ZINC000468916682 882975096 /nfs/dbraw/zinc/97/50/96/882975096.db2.gz JIFCYLKNVIFXBJ-ZEQKJWHPSA-N 1 0 414.505 4.106 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@]3(Cc4ccc(F)cc4)CCC[C@H]3O)CC2)cc1 ZINC000463235109 876290622 /nfs/dbraw/zinc/29/06/22/876290622.db2.gz GGFXUSYDTOWHBK-CLJLJLNGSA-N 1 0 421.560 4.025 20 30 HIEDRO C[N@H+](Cc1cccc(C#N)c1)Cc1cc(Br)cc(Br)c1N ZINC000463286638 876346239 /nfs/dbraw/zinc/34/62/39/876346239.db2.gz IKLVGPDBPMDSTG-UHFFFAOYSA-N 1 0 409.125 4.297 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000463329867 876385935 /nfs/dbraw/zinc/38/59/35/876385935.db2.gz PHYGWXVHJAMYTL-RUCARUNLSA-N 1 0 406.368 4.035 20 30 HIEDRO C[C@@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc(Br)cc1OCCCO ZINC000463376466 876431149 /nfs/dbraw/zinc/43/11/49/876431149.db2.gz KRVAAMYEOJGHKO-OAHLLOKOSA-N 1 0 406.295 4.052 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000464337974 877529614 /nfs/dbraw/zinc/52/96/14/877529614.db2.gz GSTUQSJLGRLZED-QHCPKHFHSA-N 1 0 403.526 4.132 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCc3sc(-c4ccc(F)cc4)nc32)CC1 ZINC000464363029 877561038 /nfs/dbraw/zinc/56/10/38/877561038.db2.gz DRMKTKPVHPMIOT-SFHVURJKSA-N 1 0 414.550 4.276 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464399680 877601786 /nfs/dbraw/zinc/60/17/86/877601786.db2.gz ZVJNGYBAOHDLBK-OAQYLSRUSA-N 1 0 408.542 4.244 20 30 HIEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000503276400 912259770 /nfs/dbraw/zinc/25/97/70/912259770.db2.gz QQPORDKINKTETB-UHFFFAOYSA-N 1 0 416.928 4.228 20 30 HIEDRO N#Cc1ccc(-c2nnc(C[N@H+](CCCOc3ccccc3)C3CCOCC3)o2)cc1 ZINC000464596446 877824246 /nfs/dbraw/zinc/82/42/46/877824246.db2.gz MPXAXJHBYXZYEK-UHFFFAOYSA-N 1 0 418.497 4.058 20 30 HIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000464608673 877836166 /nfs/dbraw/zinc/83/61/66/877836166.db2.gz KJQMCMQUEVXFJD-HOTGVXAUSA-N 1 0 413.591 4.488 20 30 HIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000464615176 877839067 /nfs/dbraw/zinc/83/90/67/877839067.db2.gz XUCKHJSYJZETCH-OAHLLOKOSA-N 1 0 401.942 4.197 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2sc(-c3ccc(OC)cc3F)nc2C)CC1 ZINC000503310696 912291143 /nfs/dbraw/zinc/29/11/43/912291143.db2.gz LSRJOGUULOHCHT-UHFFFAOYSA-N 1 0 403.523 4.037 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000464839339 878105011 /nfs/dbraw/zinc/10/50/11/878105011.db2.gz XTZDPTRLYGACAQ-XMMPIXPASA-N 1 0 418.585 4.004 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464841074 878108325 /nfs/dbraw/zinc/10/83/25/878108325.db2.gz WFIUVVBNQVSCCY-IRLDBZIGSA-N 1 0 411.615 4.105 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000503355973 912330455 /nfs/dbraw/zinc/33/04/55/912330455.db2.gz LEPBODIJSHNNSD-JOCHJYFZSA-N 1 0 409.578 4.074 20 30 HIEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(c3ccc(OC)cc3)CC2)c(OC)c1 ZINC000465025753 878390025 /nfs/dbraw/zinc/39/00/25/878390025.db2.gz ZDYSULWFEKCNRS-QFIPXVFZSA-N 1 0 411.542 4.052 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCCC1CC[NH+](C)CC1 ZINC000503368762 912347126 /nfs/dbraw/zinc/34/71/26/912347126.db2.gz RIYPORVNOCBUHC-UHFFFAOYSA-N 1 0 406.530 4.299 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000503370478 912347854 /nfs/dbraw/zinc/34/78/54/912347854.db2.gz ICHFMSYXFKHBQF-UHFFFAOYSA-N 1 0 408.502 4.213 20 30 HIEDRO CC[NH+](CC)CCOC1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000465266130 878695456 /nfs/dbraw/zinc/69/54/56/878695456.db2.gz RJJNMWSQAVAYSU-UHFFFAOYSA-N 1 0 421.541 4.314 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000465427441 878858317 /nfs/dbraw/zinc/85/83/17/878858317.db2.gz CPLOBRGWMBOAIJ-NJYVYQBISA-N 1 0 408.571 4.366 20 30 HIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000465515445 878959255 /nfs/dbraw/zinc/95/92/55/878959255.db2.gz NCKZSZOFSBTXJZ-BJKOFHAPSA-N 1 0 402.542 4.264 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000465515446 878960905 /nfs/dbraw/zinc/96/09/05/878960905.db2.gz NCKZSZOFSBTXJZ-DNQXCXABSA-N 1 0 402.542 4.264 20 30 HIEDRO Cc1cc(N2CCCC2)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000503456720 912482513 /nfs/dbraw/zinc/48/25/13/912482513.db2.gz WTAKBKQAXCAGNF-UHFFFAOYSA-N 1 0 405.546 4.063 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@@H]1CCC2(CCCCC2)O1 ZINC000466412030 880180761 /nfs/dbraw/zinc/18/07/61/880180761.db2.gz JWWMEFLELQGRTA-IBGZPJMESA-N 1 0 404.624 4.467 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@]2(C)CCO[C@H]2C2CC2)cc1OC ZINC000466461103 880241036 /nfs/dbraw/zinc/24/10/36/880241036.db2.gz BKEPZAPUCMNAAY-VQTJNVASSA-N 1 0 410.352 4.317 20 30 HIEDRO C[N@H+](Cc1ccc(CC#N)cc1)Cc1cccc(Br)c1OCC(C)(C)O ZINC000467272126 881012048 /nfs/dbraw/zinc/01/20/48/881012048.db2.gz YCNORBIBTMGUSC-UHFFFAOYSA-N 1 0 417.347 4.297 20 30 HIEDRO C=CCC[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000467298350 881044693 /nfs/dbraw/zinc/04/46/93/881044693.db2.gz UTGVPDWDUBYRIT-FQEVSTJZSA-N 1 0 416.447 4.295 20 30 HIEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc(COc4ccccc4C#N)o3)cccc21 ZINC000469056987 883130342 /nfs/dbraw/zinc/13/03/42/883130342.db2.gz PQKFDTOJPNVCEW-HXUWFJFHSA-N 1 0 417.465 4.368 20 30 HIEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000469125876 883221486 /nfs/dbraw/zinc/22/14/86/883221486.db2.gz YTMNLIKWXQUDNY-WOJBJXKFSA-N 1 0 410.480 4.109 20 30 HIEDRO CC[N@H+](CCC1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1)CC1CC1 ZINC000469226552 883325902 /nfs/dbraw/zinc/32/59/02/883325902.db2.gz GMHQAJDOQKSKJI-UHFFFAOYSA-N 1 0 406.530 4.187 20 30 HIEDRO CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000469313685 883414480 /nfs/dbraw/zinc/41/44/80/883414480.db2.gz ZZDGDPVJXDJKGM-HSZRJFAPSA-N 1 0 404.558 4.121 20 30 HIEDRO N#Cc1ccc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c(Cl)c1 ZINC000469930075 884123017 /nfs/dbraw/zinc/12/30/17/884123017.db2.gz VGBOLAFWFLJTFO-UHFFFAOYSA-N 1 0 400.832 4.138 20 30 HIEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)Nc2ccn(CCC#N)n2)cc1)C[C@@H]1CCCCO1 ZINC000470419376 884821826 /nfs/dbraw/zinc/82/18/26/884821826.db2.gz QFLAVCWUGKXCLD-NRFANRHFSA-N 1 0 424.549 4.220 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000470739168 885197968 /nfs/dbraw/zinc/19/79/68/885197968.db2.gz YJISICHWFDEHLG-UGKGYDQZSA-N 1 0 408.933 4.093 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+]C1(c3nccs3)CCCC1)CCCC2 ZINC000471043825 885554802 /nfs/dbraw/zinc/55/48/02/885554802.db2.gz IGQMGMUGTYWURP-UHFFFAOYSA-N 1 0 400.573 4.343 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471169506 885725296 /nfs/dbraw/zinc/72/52/96/885725296.db2.gz OXOIMOQFBILCHW-PZJWPPBQSA-N 1 0 422.598 4.478 20 30 HIEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471282676 885863579 /nfs/dbraw/zinc/86/35/79/885863579.db2.gz LGYPBCONPIVPMZ-PSWAGMNNSA-N 1 0 422.532 4.077 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCCC3)CC2)cc1 ZINC000504079069 912986396 /nfs/dbraw/zinc/98/63/96/912986396.db2.gz DVOPLRXGXXZKTJ-JOCHJYFZSA-N 1 0 404.514 4.177 20 30 HIEDRO COc1ccccc1[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)OC(C)C ZINC000472041761 886859169 /nfs/dbraw/zinc/85/91/69/886859169.db2.gz ATPNAWIQRMFXEN-QHCPKHFHSA-N 1 0 404.514 4.223 20 30 HIEDRO N#CCCn1cc(C(=O)C[N@@H+](CCO)[C@H]2CCCc3ccccc32)c2ccccc21 ZINC000472228503 887034112 /nfs/dbraw/zinc/03/41/12/887034112.db2.gz GPCPMUSMKLNZOE-QHCPKHFHSA-N 1 0 401.510 4.110 20 30 HIEDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472431216 887279523 /nfs/dbraw/zinc/27/95/23/887279523.db2.gz MJTGFXVLEUEGOP-FQEVSTJZSA-N 1 0 401.510 4.453 20 30 HIEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000472494138 887362372 /nfs/dbraw/zinc/36/23/72/887362372.db2.gz DZBZHQLMOBZHQK-NHCUHLMSSA-N 1 0 419.569 4.380 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@]4(C3)OCc3ccccc34)sc2C1 ZINC000473173889 887950439 /nfs/dbraw/zinc/95/04/39/887950439.db2.gz WWXPJIWEAWWAGZ-UPCLLVRISA-N 1 0 421.566 4.205 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000504400128 913220941 /nfs/dbraw/zinc/22/09/41/913220941.db2.gz WQCIZNDLKDBSSE-UHFFFAOYSA-N 1 0 422.863 4.409 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473619048 888359251 /nfs/dbraw/zinc/35/92/51/888359251.db2.gz BWUCGPPHCKEMFY-RUZDIDTESA-N 1 0 418.541 4.477 20 30 HIEDRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000504429484 913242038 /nfs/dbraw/zinc/24/20/38/913242038.db2.gz QYEWZYOITBZZSB-QFIPXVFZSA-N 1 0 420.557 4.391 20 30 HIEDRO Cc1c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cccc1C(F)(F)F ZINC000473811291 888636278 /nfs/dbraw/zinc/63/62/78/888636278.db2.gz XQRKKHDYLZGFGE-UHFFFAOYSA-N 1 0 404.436 4.481 20 30 HIEDRO C=CCOc1ccc(C[N@@H+](CC(=O)Nc2cccc(NC(C)=O)c2)C(C)(C)C)cc1 ZINC000474179634 889018636 /nfs/dbraw/zinc/01/86/36/889018636.db2.gz TVAUDLZUSYKWFQ-UHFFFAOYSA-N 1 0 409.530 4.449 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@H+](Cc2ccccc2)CC2(O)CCCC2)sc2c1CCC2 ZINC000474224067 889063936 /nfs/dbraw/zinc/06/39/36/889063936.db2.gz YBCKKUIYQUCKNZ-UHFFFAOYSA-N 1 0 423.582 4.244 20 30 HIEDRO COc1ccccc1[C@@H](CNC(=O)c1ccc(C(C)(C)C#N)cc1)[NH+]1CCCCC1 ZINC000475023715 889875392 /nfs/dbraw/zinc/87/53/92/889875392.db2.gz OAFXVHCCXCNDRO-JOCHJYFZSA-N 1 0 405.542 4.453 20 30 HIEDRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccnc(C#N)c1)[NH+](C)C ZINC000475369780 890298596 /nfs/dbraw/zinc/29/85/96/890298596.db2.gz NIJBQRAALVUKOS-FQEVSTJZSA-N 1 0 419.356 4.489 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(NC(=O)c4ccccc4)cn3)CC2)cc1 ZINC000475553963 890479843 /nfs/dbraw/zinc/47/98/43/890479843.db2.gz QBJSTJAPPRMGHD-UHFFFAOYSA-N 1 0 411.509 4.282 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000475579700 890510135 /nfs/dbraw/zinc/51/01/35/890510135.db2.gz CCUBEAYUCPBACO-FGZHOGPDSA-N 1 0 407.558 4.295 20 30 HIEDRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC1 ZINC000475614158 890543235 /nfs/dbraw/zinc/54/32/35/890543235.db2.gz VBORARGWFCZMQW-UHFFFAOYSA-N 1 0 422.529 4.361 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@]3(CCCOC3)C2)sc2c1CCCCC2 ZINC000475737715 890678538 /nfs/dbraw/zinc/67/85/38/890678538.db2.gz DXUYUMUNWMICNJ-QFIPXVFZSA-N 1 0 401.576 4.110 20 30 HIEDRO N#Cc1cccc(-c2nnc(CN3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)o2)c1 ZINC000475748314 890692209 /nfs/dbraw/zinc/69/22/09/890692209.db2.gz KUHXHJXEKCVHNV-RUZDIDTESA-N 1 0 413.525 4.096 20 30 HIEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000476487356 891396887 /nfs/dbraw/zinc/39/68/87/891396887.db2.gz IUABZUDZVJYDMQ-JOCHJYFZSA-N 1 0 405.542 4.320 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(C#N)c1C ZINC000477044645 891970738 /nfs/dbraw/zinc/97/07/38/891970738.db2.gz CNOYZTRHBKLOPN-DFBJGRDBSA-N 1 0 420.557 4.083 20 30 HIEDRO N#Cc1ccc(OC[C@@H](O)C[N@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000477358786 892324590 /nfs/dbraw/zinc/32/45/90/892324590.db2.gz VKMFNKRDOWBRNK-SFHVURJKSA-N 1 0 402.416 4.106 20 30 HIEDRO N#Cc1ccc(OC[C@H](O)C[N@H+]2CC=C(c3ccccc3C(F)(F)F)CC2)cc1 ZINC000477358708 892324772 /nfs/dbraw/zinc/32/47/72/892324772.db2.gz VKMFNKRDOWBRNK-GOSISDBHSA-N 1 0 402.416 4.106 20 30 HIEDRO N#Cc1ccccc1Oc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000477664601 892801787 /nfs/dbraw/zinc/80/17/87/892801787.db2.gz JQZLXBKKBZGGAX-UHFFFAOYSA-N 1 0 419.525 4.115 20 30 HIEDRO Cc1ccc([C@@H](CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)[NH+]2CCCC2)o1 ZINC000477922112 893007391 /nfs/dbraw/zinc/00/73/91/893007391.db2.gz ZANGZUDFTMUPOG-LJQANCHMSA-N 1 0 419.447 4.095 20 30 HIEDRO CC(C)Oc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)cc2Cl)[NH+](C)C)cc1 ZINC000478120713 893292406 /nfs/dbraw/zinc/29/24/06/893292406.db2.gz OTCSRSSKAWKBQV-HXUWFJFHSA-N 1 0 400.910 4.423 20 30 HIEDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3cccc(OCCCC#N)c3)CCN2C2CC2)c1 ZINC000478177863 893341790 /nfs/dbraw/zinc/34/17/90/893341790.db2.gz MUFIRLANVVXXSW-DQEYMECFSA-N 1 0 405.542 4.445 20 30 HIEDRO Cn1cc(C[NH2+]CCCc2nc(-c3ccncc3)cs2)c(-c2ccc(C#N)cc2)n1 ZINC000478185999 893350794 /nfs/dbraw/zinc/35/07/94/893350794.db2.gz XVOCSGGOVQSXJR-UHFFFAOYSA-N 1 0 414.538 4.200 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c(-c2ccccc2)n1 ZINC000478200821 893362644 /nfs/dbraw/zinc/36/26/44/893362644.db2.gz TZKZCJNCWNZHNX-UHFFFAOYSA-N 1 0 409.877 4.358 20 30 HIEDRO Cn1cc(C[NH2+]CCc2ccccc2OC(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000478235940 893399363 /nfs/dbraw/zinc/39/93/63/893399363.db2.gz OAOPWJASUZBPKV-UHFFFAOYSA-N 1 0 400.404 4.190 20 30 HIEDRO CC(C)[NH+]1CCN(c2cccc(NCc3cn(C)nc3-c3ccc(C#N)cc3)c2)CC1 ZINC000478300781 893516333 /nfs/dbraw/zinc/51/63/33/893516333.db2.gz HIIOPXRIPODHJY-UHFFFAOYSA-N 1 0 414.557 4.101 20 30 HIEDRO C=C(C)[C@@H](NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)c1ccc(F)c(F)c1 ZINC000479766468 895067954 /nfs/dbraw/zinc/06/79/54/895067954.db2.gz GGIAJPOUEJEXIL-JOCHJYFZSA-N 1 0 414.500 4.464 20 30 HIEDRO C[C@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000480348582 895754072 /nfs/dbraw/zinc/75/40/72/895754072.db2.gz NKENPVBIFYCLKQ-YCRPNKLZSA-N 1 0 422.920 4.210 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000481180732 896521151 /nfs/dbraw/zinc/52/11/51/896521151.db2.gz XRLFYCCBHMUMOI-XXBNENTESA-N 1 0 424.976 4.087 20 30 HIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)Nc1ccccc1SCC#N ZINC000481462423 896855666 /nfs/dbraw/zinc/85/56/66/896855666.db2.gz XGUKLOSMQVNOFR-VBKZILBWSA-N 1 0 403.935 4.260 20 30 HIEDRO Cc1cc(NC(=O)c2cccc(SCC#N)c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000481647107 897033261 /nfs/dbraw/zinc/03/32/61/897033261.db2.gz ZSRDSNFOOKZWGE-UHFFFAOYSA-N 1 0 408.571 4.393 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)NCCC[NH+]3CCCCC3)cc2F)c1 ZINC000481651439 897036148 /nfs/dbraw/zinc/03/61/48/897036148.db2.gz AQIHGOYTRMKSKD-UHFFFAOYSA-N 1 0 410.493 4.274 20 30 HIEDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481654917 897040109 /nfs/dbraw/zinc/04/01/09/897040109.db2.gz CCWDULQSXZKJDO-QHCPKHFHSA-N 1 0 411.571 4.146 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H](O)COc1ccccc1Br ZINC000481680066 897064076 /nfs/dbraw/zinc/06/40/76/897064076.db2.gz WVIFVGOMHHDDAP-FXAWDEMLSA-N 1 0 415.331 4.118 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000481680531 897064570 /nfs/dbraw/zinc/06/45/70/897064570.db2.gz ZLFCWOLUJHDAST-DEOSSOPVSA-N 1 0 423.582 4.041 20 30 HIEDRO COc1cc(I)c(Cl)cc1C[NH2+]CC(C)(C)CCC#N ZINC000481734066 897127263 /nfs/dbraw/zinc/12/72/63/897127263.db2.gz FXGUBEVNDQRQIP-UHFFFAOYSA-N 1 0 406.695 4.373 20 30 HIEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481755745 897144746 /nfs/dbraw/zinc/14/47/46/897144746.db2.gz ZYFJUUUECNAUJT-OEPMTFCVSA-N 1 0 410.331 4.072 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c1C#N ZINC000481764584 897152051 /nfs/dbraw/zinc/15/20/51/897152051.db2.gz YFBJUGUXGUWZNH-NHCUHLMSSA-N 1 0 400.567 4.214 20 30 HIEDRO COc1ccc(-c2ccncc2)cc1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000481911836 897294753 /nfs/dbraw/zinc/29/47/53/897294753.db2.gz SKZKXMUVRRIGNU-UHFFFAOYSA-N 1 0 412.537 4.337 20 30 HIEDRO COC(=O)c1ccc(COc2ccc(C[N@H+](C)Cc3cccc(C#N)c3)cc2OC)o1 ZINC000481923247 897307399 /nfs/dbraw/zinc/30/73/99/897307399.db2.gz NPRBAPILXIZYAV-UHFFFAOYSA-N 1 0 420.465 4.157 20 30 HIEDRO CCOc1cc(C[NH+]2CCC(C)(C#N)CC2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000482158809 897622962 /nfs/dbraw/zinc/62/29/62/897622962.db2.gz SCWSLGNFOMHZJX-UHFFFAOYSA-N 1 0 412.486 4.170 20 30 HIEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000482173661 897641583 /nfs/dbraw/zinc/64/15/83/897641583.db2.gz XZGXYFCUTUIAAV-FRIKZZABSA-N 1 0 403.526 4.027 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)CC1 ZINC000482356721 897871970 /nfs/dbraw/zinc/87/19/70/897871970.db2.gz WCXIBBIBJHQHDD-OAHLLOKOSA-N 1 0 409.374 4.258 20 30 HIEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C(C)(C)Oc3ccc(C#N)cc3)cc2)C1 ZINC000482514539 898100026 /nfs/dbraw/zinc/10/00/26/898100026.db2.gz UVWZFHNWNOJANT-SFHVURJKSA-N 1 0 407.514 4.075 20 30 HIEDRO COc1ccc([C@H](CCO)[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000482571159 898167363 /nfs/dbraw/zinc/16/73/63/898167363.db2.gz GRDDVRYXUIRNMQ-VWLOTQADSA-N 1 0 402.494 4.359 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000482620085 898221188 /nfs/dbraw/zinc/22/11/88/898221188.db2.gz RXWZHUWZCZYTCF-UHFFFAOYSA-N 1 0 403.526 4.274 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1C ZINC000482620496 898223267 /nfs/dbraw/zinc/22/32/67/898223267.db2.gz CGYIQZNXSUZKRV-UHFFFAOYSA-N 1 0 419.573 4.217 20 30 HIEDRO CC1(C(=O)NCCSCc2ccccc2C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000482698979 898299453 /nfs/dbraw/zinc/29/94/53/898299453.db2.gz MQKWZJSCRBJGGG-UHFFFAOYSA-N 1 0 407.583 4.210 20 30 HIEDRO COc1ccc(NC(=O)CC[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1Cl ZINC000482841958 898450943 /nfs/dbraw/zinc/45/09/43/898450943.db2.gz SHTWPSGWNRDFEK-UHFFFAOYSA-N 1 0 413.905 4.092 20 30 HIEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000482924562 898543297 /nfs/dbraw/zinc/54/32/97/898543297.db2.gz UNYRQMXGTYQASL-OAQYLSRUSA-N 1 0 410.518 4.137 20 30 HIEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483593899 899244342 /nfs/dbraw/zinc/24/43/42/899244342.db2.gz DAKPQOFJEPPZJF-LADGPHEKSA-N 1 0 417.553 4.229 20 30 HIEDRO N#Cc1ccccc1NC(=O)CCN1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000484694367 900130758 /nfs/dbraw/zinc/13/07/58/900130758.db2.gz MGPJCOFSUUWTRN-UHFFFAOYSA-N 1 0 420.601 4.111 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@H](c3ccccc3)C(F)(F)F)CC2)cc1 ZINC000484938988 900309771 /nfs/dbraw/zinc/30/97/71/900309771.db2.gz ZEOVJTUFVXPLFP-OAQYLSRUSA-N 1 0 415.459 4.329 20 30 HIEDRO COc1cc(Cl)c(Cl)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000485017897 900365943 /nfs/dbraw/zinc/36/59/43/900365943.db2.gz ONSYDGRPFKSDOJ-UHFFFAOYSA-N 1 0 421.328 4.469 20 30 HIEDRO Cc1cccc(C)c1NC(=O)CCC[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000485138100 900439855 /nfs/dbraw/zinc/43/98/55/900439855.db2.gz ZRMOSUDIHJHZNR-UHFFFAOYSA-N 1 0 418.541 4.245 20 30 HIEDRO COc1cc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1OC(C)C ZINC000485231643 900516911 /nfs/dbraw/zinc/51/69/11/900516911.db2.gz OAPSJYPROBXEFO-UWJYYQICSA-N 1 0 407.514 4.200 20 30 HIEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000485524118 900806089 /nfs/dbraw/zinc/80/60/89/900806089.db2.gz WFJCKDSLZMZGML-FXAWDEMLSA-N 1 0 420.561 4.132 20 30 HIEDRO C[C@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000485825677 901073096 /nfs/dbraw/zinc/07/30/96/901073096.db2.gz VEXMWLNQEYFWPC-GOSISDBHSA-N 1 0 411.571 4.221 20 30 HIEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000486024480 901230459 /nfs/dbraw/zinc/23/04/59/901230459.db2.gz VZJSCJOSXYQEKM-KKSFZXQISA-N 1 0 423.467 4.232 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000486069471 901262016 /nfs/dbraw/zinc/26/20/16/901262016.db2.gz BPIAALILPZZXRZ-FQEVSTJZSA-N 1 0 403.448 4.185 20 30 HIEDRO C[C@@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1c[nH]c2ccccc21 ZINC000486117543 901303210 /nfs/dbraw/zinc/30/32/10/901303210.db2.gz HXWWTASMETWZSV-IBGZPJMESA-N 1 0 400.526 4.336 20 30 HIEDRO CC(C)[C@@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[N@@H+]1C ZINC000486245677 901428550 /nfs/dbraw/zinc/42/85/50/901428550.db2.gz SDQOBQNBKBMPPY-QHCPKHFHSA-N 1 0 406.530 4.136 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000505929411 914581148 /nfs/dbraw/zinc/58/11/48/914581148.db2.gz CTUDEIYBVYPEQF-PMACEKPBSA-N 1 0 421.541 4.457 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000505930677 914582917 /nfs/dbraw/zinc/58/29/17/914582917.db2.gz QQUHLPPHFPYTSV-TZIWHRDSSA-N 1 0 418.541 4.472 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)C2CCC2)cc1 ZINC000486982149 902002692 /nfs/dbraw/zinc/00/26/92/902002692.db2.gz AKEJFZLDKDFKLI-UHFFFAOYSA-N 1 0 404.514 4.137 20 30 HIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000487418333 902200118 /nfs/dbraw/zinc/20/01/18/902200118.db2.gz XNLOLWPHCQRGGN-JOCHJYFZSA-N 1 0 403.526 4.416 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000505953566 914606990 /nfs/dbraw/zinc/60/69/90/914606990.db2.gz IRUJTZWDRUMDET-DEOSSOPVSA-N 1 0 422.548 4.113 20 30 HIEDRO C=CCc1cc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc(OC)c1OC ZINC000487828829 902392932 /nfs/dbraw/zinc/39/29/32/902392932.db2.gz AWSQUXYTIKNYGC-IBGZPJMESA-N 1 0 400.563 4.161 20 30 HIEDRO N#Cc1cccc(C2(NC(=O)NCc3ccc(C[NH+]4CCCCCC4)cc3)CC2)c1 ZINC000488143210 902637577 /nfs/dbraw/zinc/63/75/77/902637577.db2.gz IZKWQROWNBZQGO-UHFFFAOYSA-N 1 0 402.542 4.423 20 30 HIEDRO N#CCSCCC[NH+]1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000488197208 902680869 /nfs/dbraw/zinc/68/08/69/902680869.db2.gz SIQHXSFPNAEORR-UHFFFAOYSA-N 1 0 421.364 4.325 20 30 HIEDRO COc1ccc(C[N@@H+]2CCCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)cc1 ZINC000488243193 902718378 /nfs/dbraw/zinc/71/83/78/902718378.db2.gz WAVMSWSPDRPCFG-UHFFFAOYSA-N 1 0 408.452 4.106 20 30 HIEDRO N#CCCCOc1cccc(C[N@@H+](CCO)Cc2cccc(Br)c2)c1 ZINC000488394158 902804027 /nfs/dbraw/zinc/80/40/27/902804027.db2.gz GZEIPBAIMUHVEQ-UHFFFAOYSA-N 1 0 403.320 4.126 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000488400448 902808904 /nfs/dbraw/zinc/80/89/04/902808904.db2.gz COBHJYHWGVBEEF-YADHBBJMSA-N 1 0 411.571 4.432 20 30 HIEDRO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488466945 902839800 /nfs/dbraw/zinc/83/98/00/902839800.db2.gz MPUJZFZTMUQBHY-VLIAUNLRSA-N 1 0 402.325 4.187 20 30 HIEDRO COC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(Cl)cc1 ZINC000488710542 902960573 /nfs/dbraw/zinc/96/05/73/902960573.db2.gz FLIAKUSEAKBFDB-GOSISDBHSA-N 1 0 417.962 4.458 20 30 HIEDRO C=CC[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1)c1ccccc1 ZINC000489015857 903122036 /nfs/dbraw/zinc/12/20/36/903122036.db2.gz PZQCVCUWNSEZBZ-XZOQPEGZSA-N 1 0 405.542 4.151 20 30 HIEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000489815512 903610307 /nfs/dbraw/zinc/61/03/07/903610307.db2.gz WJGOGEXBCTUDMG-DHIUTWEWSA-N 1 0 408.521 4.282 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000489817292 903611959 /nfs/dbraw/zinc/61/19/59/903611959.db2.gz GEXCRYCXTKXVEN-OCFYOKIWSA-N 1 0 416.569 4.378 20 30 HIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000489866792 903637821 /nfs/dbraw/zinc/63/78/21/903637821.db2.gz SJAMSVIJTNSDNF-PBHICJAKSA-N 1 0 413.319 4.127 20 30 HIEDRO Cn1cc(C[NH+]2CCC(OCCc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491110921 904433748 /nfs/dbraw/zinc/43/37/48/904433748.db2.gz LWJWOJSWSJNNEE-UHFFFAOYSA-N 1 0 400.526 4.182 20 30 HIEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491491980 904622417 /nfs/dbraw/zinc/62/24/17/904622417.db2.gz UCIBNVDCACJTFI-QGZVFWFLSA-N 1 0 406.477 4.280 20 30 HIEDRO C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492271684 904826902 /nfs/dbraw/zinc/82/69/02/904826902.db2.gz PSSBYELXRVVDOX-YJBOKZPZSA-N 1 0 414.456 4.192 20 30 HIEDRO Cc1sc(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(C#N)c1C ZINC000494466196 905747451 /nfs/dbraw/zinc/74/74/51/905747451.db2.gz OVXIBLGNTKUQBM-FUHWJXTLSA-N 1 0 407.898 4.087 20 30 HIEDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000512487524 921195384 /nfs/dbraw/zinc/19/53/84/921195384.db2.gz VSARCFMFBYZGLK-SJORKVTESA-N 1 0 403.592 4.233 20 30 HIEDRO C=CC[C@@H](C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC000495026021 906185018 /nfs/dbraw/zinc/18/50/18/906185018.db2.gz PIKFSUQUVJNDOB-RUZDIDTESA-N 1 0 405.586 4.373 20 30 HIEDRO C[C@@H]([NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc(C#N)cc1F ZINC000512625067 921267037 /nfs/dbraw/zinc/26/70/37/921267037.db2.gz LMFLGNQZWIUWIR-VFNWGFHPSA-N 1 0 421.438 4.440 20 30 HIEDRO C=C(C)C[N@@H+](C)Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2OC)c(OC)c1 ZINC000497097399 906805258 /nfs/dbraw/zinc/80/52/58/906805258.db2.gz LVKDPONYLFIXSZ-UHFFFAOYSA-N 1 0 418.921 4.383 20 30 HIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3c[nH]nc3-c3c(F)cccc3F)CC2)c1 ZINC000512637892 921270394 /nfs/dbraw/zinc/27/03/94/921270394.db2.gz AFVRMICIKCXSDO-UHFFFAOYSA-N 1 0 421.451 4.077 20 30 HIEDRO CC[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620009 907098768 /nfs/dbraw/zinc/09/87/68/907098768.db2.gz WUJOPJOWKIZZPJ-SFHVURJKSA-N 1 0 404.514 4.097 20 30 HIEDRO CS(=O)(=O)Nc1cccc2c1CC[N@H+](Cc1ccc(-c3ccccc3C#N)cc1)C2 ZINC000497727965 907224788 /nfs/dbraw/zinc/22/47/88/907224788.db2.gz QKUZZAXMNYJEHG-UHFFFAOYSA-N 1 0 417.534 4.155 20 30 HIEDRO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512805379 921315215 /nfs/dbraw/zinc/31/52/15/921315215.db2.gz GGTZNBSMPRKBHU-IBGZPJMESA-N 1 0 423.532 4.366 20 30 HIEDRO COc1ccc(-c2cnc(CN3CCC(Oc4ccc(C#N)cc4F)CC3)o2)cc1 ZINC000512821999 921325538 /nfs/dbraw/zinc/32/55/38/921325538.db2.gz DSRBNEDXQKLALS-UHFFFAOYSA-N 1 0 407.445 4.404 20 30 HIEDRO C=CCN(CCc1ccco1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000498120410 907633629 /nfs/dbraw/zinc/63/36/29/907633629.db2.gz CUGIYCQIPLLUIU-UHFFFAOYSA-N 1 0 401.938 4.338 20 30 HIEDRO C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1=CC[N@H+](C)CC1 ZINC000512851421 921356595 /nfs/dbraw/zinc/35/65/95/921356595.db2.gz JFMPVFOHQYAPMH-INIZCTEOSA-N 1 0 408.477 4.048 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cn(C)nc1-c1ccccc1Cl)C(C)C ZINC000498353518 907854034 /nfs/dbraw/zinc/85/40/34/907854034.db2.gz JNDVYHGAIOIAJL-FQEVSTJZSA-N 1 0 400.954 4.169 20 30 HIEDRO C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512853280 921358334 /nfs/dbraw/zinc/35/83/34/921358334.db2.gz VSUWKJZGHSSWSX-TZIWHRDSSA-N 1 0 402.542 4.256 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCCC[NH+]2CCC(C)CC2)cc1C ZINC000498377422 907866982 /nfs/dbraw/zinc/86/69/82/907866982.db2.gz ZXSFOJXGKFTIKS-UHFFFAOYSA-N 1 0 421.589 4.323 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000498381101 907869680 /nfs/dbraw/zinc/86/96/80/907869680.db2.gz VOOQVORYNKRHNQ-UHFFFAOYSA-N 1 0 404.341 4.388 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CSc1cccc(C(F)(F)F)c1 ZINC000498389103 907874660 /nfs/dbraw/zinc/87/46/60/907874660.db2.gz GEMAOSKPBUFFKL-UHFFFAOYSA-N 1 0 421.488 4.260 20 30 HIEDRO CC1CC[NH+](CCCCNC(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000498389807 907875197 /nfs/dbraw/zinc/87/51/97/907875197.db2.gz JGIIEZOSHSRRAJ-UHFFFAOYSA-N 1 0 405.542 4.379 20 30 HIEDRO C=CCOc1cccc(NC(=O)N[C@@H]2CC[N@H+](C3CC3)[C@H]2c2cccc(OC)c2)c1 ZINC000498392759 907876952 /nfs/dbraw/zinc/87/69/52/907876952.db2.gz UNAOMRXUCKNFPU-PKTZIBPZSA-N 1 0 407.514 4.360 20 30 HIEDRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc(C#N)c(Cl)c3)CC[N@@H+]2C2CC2)c1 ZINC000498531046 908001374 /nfs/dbraw/zinc/00/13/74/908001374.db2.gz YUJOJGSCHXDHDH-LEWJYISDSA-N 1 0 410.905 4.320 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccco1 ZINC000498822462 908230022 /nfs/dbraw/zinc/23/00/22/908230022.db2.gz LGPLZPBVNSSTFP-LJQANCHMSA-N 1 0 407.470 4.136 20 30 HIEDRO N#C[C@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Br)cc1 ZINC000499386944 908749726 /nfs/dbraw/zinc/74/97/26/908749726.db2.gz FTNVQOSJOKBPHR-FQEVSTJZSA-N 1 0 412.331 4.430 20 30 HIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499511058 908823315 /nfs/dbraw/zinc/82/33/15/908823315.db2.gz QGYJAZWNLAWMJE-DEOSSOPVSA-N 1 0 405.542 4.085 20 30 HIEDRO COc1cc([C@H](C)[NH2+]CCCC2(C#N)CCOCC2)ccc1OCc1ccncc1 ZINC000499597741 908851702 /nfs/dbraw/zinc/85/17/02/908851702.db2.gz AQFZTUGIOIOXCR-IBGZPJMESA-N 1 0 409.530 4.420 20 30 HIEDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@H]1C ZINC000499608359 908854646 /nfs/dbraw/zinc/85/46/46/908854646.db2.gz RJCPMFIGTGRQFI-MOPGFXCFSA-N 1 0 406.530 4.278 20 30 HIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1 ZINC000500048600 909512939 /nfs/dbraw/zinc/51/29/39/909512939.db2.gz JBPRGMFLICTCCP-SFHVURJKSA-N 1 0 402.560 4.133 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@H](C)C(=O)Nc2nnc(CC)s2)cc1Cl ZINC000513047248 921506296 /nfs/dbraw/zinc/50/62/96/921506296.db2.gz QJCKSNFUTRSANL-STQMWFEESA-N 1 0 408.955 4.072 20 30 HIEDRO Cc1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1Br ZINC000500114016 909594483 /nfs/dbraw/zinc/59/44/83/909594483.db2.gz ILTZZVCMOZSZQL-UHFFFAOYSA-N 1 0 412.331 4.480 20 30 HIEDRO COc1cccc(C2(F)CC[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000500151346 909626702 /nfs/dbraw/zinc/62/67/02/909626702.db2.gz FOMXDCACDYXMGS-JOCHJYFZSA-N 1 0 407.489 4.023 20 30 HIEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)CCN1Cc1ccccc1 ZINC000513056416 921511982 /nfs/dbraw/zinc/51/19/82/921511982.db2.gz GSIIRHPEMHWECQ-PTUXOGIPSA-N 1 0 406.549 4.309 20 30 HIEDRO CSc1ccc([C@H](C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000500233565 909723107 /nfs/dbraw/zinc/72/31/07/909723107.db2.gz RSSUOXRIJPSJJH-HNNXBMFYSA-N 1 0 406.473 4.246 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000500400183 909836341 /nfs/dbraw/zinc/83/63/41/909836341.db2.gz GRHPWLFYKOVCQR-UHFFFAOYSA-N 1 0 422.273 4.474 20 30 HIEDRO C[N@H+](CCCNC(=O)c1cccc(COc2ccccc2C#N)c1)Cc1ccccc1 ZINC000513107709 921553969 /nfs/dbraw/zinc/55/39/69/921553969.db2.gz HJFMCBUMFZCCJR-UHFFFAOYSA-N 1 0 413.521 4.389 20 30 HIEDRO C=CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1OC ZINC000513126234 921570671 /nfs/dbraw/zinc/57/06/71/921570671.db2.gz PRRUKUDUCRKNMH-HSZRJFAPSA-N 1 0 408.542 4.291 20 30 HIEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000501236940 910394187 /nfs/dbraw/zinc/39/41/87/910394187.db2.gz VLPKQGAMOIFEBL-UHFFFAOYSA-N 1 0 402.542 4.258 20 30 HIEDRO N#Cc1ccc2ncc(C[N@H+]3CCC[C@H](c4nc(-c5ccc(Cl)cc5)no4)C3)n2c1 ZINC000513129178 921572585 /nfs/dbraw/zinc/57/25/85/921572585.db2.gz WHQIVBSLCIEIOQ-KRWDZBQOSA-N 1 0 418.888 4.289 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(c2ccnn2CCC)CC1 ZINC000501576636 910683735 /nfs/dbraw/zinc/68/37/35/910683735.db2.gz UUHQYXAUFYGAEP-GOSISDBHSA-N 1 0 400.592 4.137 20 30 HIEDRO C=CCOc1ccccc1C[N@@H+]1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000501765079 910820451 /nfs/dbraw/zinc/82/04/51/910820451.db2.gz AHJWPPNUHJFGIT-FQEVSTJZSA-N 1 0 408.546 4.483 20 30 HIEDRO CCN(C(=O)CSCc1ccc(C#N)cc1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000501949446 910936623 /nfs/dbraw/zinc/93/66/23/910936623.db2.gz RLTSVKVGMLJSAV-AUSIDOKSSA-N 1 0 407.583 4.475 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502190254 911128183 /nfs/dbraw/zinc/12/81/83/911128183.db2.gz UKFFEVBXILHGBA-CJFMBICVSA-N 1 0 414.553 4.268 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCc3cccc(F)c3C2)c1C#N ZINC000502506578 911511679 /nfs/dbraw/zinc/51/16/79/911511679.db2.gz RBRQKUSNXPATTI-UHFFFAOYSA-N 1 0 420.488 4.144 20 30 HIEDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)ccc1OCc1cccc(C#N)c1 ZINC000503077362 912048642 /nfs/dbraw/zinc/04/86/42/912048642.db2.gz UEIOKOFSQKOVHZ-XXBNENTESA-N 1 0 416.525 4.425 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2sc(-c3ccc(OC)cc3)nc2C)CC1 ZINC000506672654 915347957 /nfs/dbraw/zinc/34/79/57/915347957.db2.gz FFRZQFKHFTUROR-MRXNPFEDSA-N 1 0 414.575 4.138 20 30 HIEDRO COc1cccc([C@H](C)[NH+]2CCN(Cc3ccc(OC)c(OCCCC#N)c3)CC2)c1 ZINC000513417518 921785046 /nfs/dbraw/zinc/78/50/46/921785046.db2.gz WLBSTOJGMPAAEE-FQEVSTJZSA-N 1 0 423.557 4.265 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CCC(C[NH+]3CCCC3)CC2)cc1OC ZINC000506859611 915644730 /nfs/dbraw/zinc/64/47/30/915644730.db2.gz FZZGXVSAJJCAAC-UHFFFAOYSA-N 1 0 423.395 4.330 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000506916919 915717064 /nfs/dbraw/zinc/71/70/64/915717064.db2.gz KHDZSNPWDMVMEE-QUCCMNQESA-N 1 0 421.507 4.353 20 30 HIEDRO CCOc1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)ccc1O[C@@H](C)C(=O)N(C)C ZINC000507140288 915885802 /nfs/dbraw/zinc/88/58/02/915885802.db2.gz BZSVVHSIYPGVPH-IBGZPJMESA-N 1 0 423.557 4.223 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)c(F)c1 ZINC000507290713 916058960 /nfs/dbraw/zinc/05/89/60/916058960.db2.gz FMJFRBPQOPBWAW-UHFFFAOYSA-N 1 0 416.294 4.311 20 30 HIEDRO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507420074 916188911 /nfs/dbraw/zinc/18/89/11/916188911.db2.gz IBUSSNILFQULMX-OXQOHEQNSA-N 1 0 424.932 4.022 20 30 HIEDRO COC[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(C(F)(F)F)c1 ZINC000507450378 916218423 /nfs/dbraw/zinc/21/84/23/916218423.db2.gz PWMCKONGBPPZIY-VQTJNVASSA-N 1 0 417.431 4.050 20 30 HIEDRO CCOc1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)ccc1OC(F)F ZINC000507730579 916525813 /nfs/dbraw/zinc/52/58/13/916525813.db2.gz GASHTQVKNZOJCF-UHFFFAOYSA-N 1 0 417.456 4.433 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(F)c(Br)c3)CC2)nc1 ZINC000507765367 916551300 /nfs/dbraw/zinc/55/13/00/916551300.db2.gz DEBNWENUNMUPFY-UHFFFAOYSA-N 1 0 404.283 4.335 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)nc1 ZINC000507771152 916559204 /nfs/dbraw/zinc/55/92/04/916559204.db2.gz YVOZUIPZMNMRTC-UHFFFAOYSA-N 1 0 407.905 4.477 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(Nc3ccc(F)cc3)CC2)cc1Cl ZINC000507977942 916825941 /nfs/dbraw/zinc/82/59/41/916825941.db2.gz DTWXDTAZDGGROM-UHFFFAOYSA-N 1 0 400.885 4.256 20 30 HIEDRO C[NH+](C)Cc1ccc(-c2noc(C3CCN(c4ccc(C#N)cc4F)CC3)n2)cc1 ZINC000507995476 916836863 /nfs/dbraw/zinc/83/68/63/916836863.db2.gz SMWCHJAVIKRVGZ-UHFFFAOYSA-N 1 0 405.477 4.193 20 30 HIEDRO COc1ccc([C@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)[NH+]2CCCC2)cc1 ZINC000508058769 916883317 /nfs/dbraw/zinc/88/33/17/916883317.db2.gz AQWIMSBSOAJELW-FQEVSTJZSA-N 1 0 409.534 4.082 20 30 HIEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Nc3cc(C#N)cn3C(C)(C)C)cc2)C[C@H](C)O1 ZINC000508071610 916893309 /nfs/dbraw/zinc/89/33/09/916893309.db2.gz NQUALDPUIKISBV-HDICACEKSA-N 1 0 423.561 4.046 20 30 HIEDRO C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508478573 917263487 /nfs/dbraw/zinc/26/34/87/917263487.db2.gz RZPFXOQQOUQOPD-MOPGFXCFSA-N 1 0 424.549 4.130 20 30 HIEDRO C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508480498 917265059 /nfs/dbraw/zinc/26/50/59/917265059.db2.gz HONLRWQIYVXCGT-MRXNPFEDSA-N 1 0 407.484 4.318 20 30 HIEDRO C=CCn1c(-c2ccccn2)nnc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000508490964 917275826 /nfs/dbraw/zinc/27/58/26/917275826.db2.gz RUILXPZJWZOZER-UHFFFAOYSA-N 1 0 414.557 4.019 20 30 HIEDRO Cn1ccnc1C[C@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000508620369 917387809 /nfs/dbraw/zinc/38/78/09/917387809.db2.gz JGAJAIXNLRFIAR-JOCHJYFZSA-N 1 0 400.526 4.325 20 30 HIEDRO C=CCn1c(-c2ccccn2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508724510 917485822 /nfs/dbraw/zinc/48/58/22/917485822.db2.gz SNWAQKVFCYFZGS-GGAORHGYSA-N 1 0 414.557 4.017 20 30 HIEDRO C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508791694 917547722 /nfs/dbraw/zinc/54/77/22/917547722.db2.gz BZWNSSOBIKGODM-INIZCTEOSA-N 1 0 403.958 4.224 20 30 HIEDRO Cc1ccc(C[NH+]=C(NCc2ccccc2Cn2cncn2)Nc2ccccc2)cc1 ZINC000508808542 917562908 /nfs/dbraw/zinc/56/29/08/917562908.db2.gz HPPGVPIZCPZXLK-UHFFFAOYSA-N 1 0 410.525 4.393 20 30 HIEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508844726 917596125 /nfs/dbraw/zinc/59/61/25/917596125.db2.gz KPYDQNDPBBYQGW-GCJKJVERSA-N 1 0 416.573 4.076 20 30 HIEDRO C=CCn1c(-c2cccnc2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC000508863180 917616842 /nfs/dbraw/zinc/61/68/42/917616842.db2.gz IWGUKZVILCALFY-JOCHJYFZSA-N 1 0 402.546 4.017 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000508879669 917632285 /nfs/dbraw/zinc/63/22/85/917632285.db2.gz JXPRVZBHUOZOHW-AVRDEDQJSA-N 1 0 410.518 4.292 20 30 HIEDRO C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508916790 917673809 /nfs/dbraw/zinc/67/38/09/917673809.db2.gz IAGZYETWMDZJSL-PKOBYXMFSA-N 1 0 415.969 4.322 20 30 HIEDRO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000508933926 917691926 /nfs/dbraw/zinc/69/19/26/917691926.db2.gz HTJIGSQPQBEFSS-LJQANCHMSA-N 1 0 424.549 4.132 20 30 HIEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000508938728 917694879 /nfs/dbraw/zinc/69/48/79/917694879.db2.gz MIDUHUHICKTGRM-HXUWFJFHSA-N 1 0 409.578 4.088 20 30 HIEDRO CCC(CC)[C@@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[NH+]1CCCC1 ZINC000509327519 917998530 /nfs/dbraw/zinc/99/85/30/917998530.db2.gz KQBRNWOUHVALHM-HSZRJFAPSA-N 1 0 412.578 4.012 20 30 HIEDRO C=CCOc1ccc(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1OC ZINC000510209244 918758468 /nfs/dbraw/zinc/75/84/68/918758468.db2.gz GKOSNZOIIPSOCG-TZIWHRDSSA-N 1 0 408.542 4.291 20 30 HIEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)c1ccc(OC)c(OC)c1 ZINC000510259878 918792673 /nfs/dbraw/zinc/79/26/73/918792673.db2.gz RZAZVVLHRJAORA-HXUWFJFHSA-N 1 0 409.530 4.308 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000510455173 918910358 /nfs/dbraw/zinc/91/03/58/918910358.db2.gz KMKWIKBFKMTQAR-UHFFFAOYSA-N 1 0 415.335 4.111 20 30 HIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000510490892 918940945 /nfs/dbraw/zinc/94/09/45/918940945.db2.gz MXWXCLMJMRGNIH-JOCHJYFZSA-N 1 0 422.529 4.137 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1OC ZINC000510524783 918971627 /nfs/dbraw/zinc/97/16/27/918971627.db2.gz QNMKAFPRNDWOBY-OAHLLOKOSA-N 1 0 406.324 4.125 20 30 HIEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(COc2ccccc2C#N)o1)[NH+](C)C ZINC000510526642 918972549 /nfs/dbraw/zinc/97/25/49/918972549.db2.gz UBGXZIJXFPYCEJ-KOSHJBKYSA-N 1 0 417.509 4.460 20 30 HIEDRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000510645249 919086201 /nfs/dbraw/zinc/08/62/01/919086201.db2.gz HFXMNXQMNVYOMY-RTWAWAEBSA-N 1 0 418.541 4.108 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+](CCO)[C@H]2CCCc3ccccc32)sc2c1CCCC2 ZINC000510695690 919131685 /nfs/dbraw/zinc/13/16/85/919131685.db2.gz DKCJLNZZDQMMPP-NRFANRHFSA-N 1 0 423.582 4.199 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](c3ccccc3)C3CCC3)CC2)cc1 ZINC000511288713 919885203 /nfs/dbraw/zinc/88/52/03/919885203.db2.gz MEOUUENHIALZPQ-DEOSSOPVSA-N 1 0 402.542 4.317 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000511321255 919912520 /nfs/dbraw/zinc/91/25/20/919912520.db2.gz JVYHDNVZLCHPOR-JOCHJYFZSA-N 1 0 418.541 4.424 20 30 HIEDRO C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511378914 919978013 /nfs/dbraw/zinc/97/80/13/919978013.db2.gz MZXFEFZZXCDMJZ-PXNSSMCTSA-N 1 0 404.514 4.128 20 30 HIEDRO C[C@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000511476781 920086833 /nfs/dbraw/zinc/08/68/33/920086833.db2.gz OBRUGBMNNXHAGD-ZWKOTPCHSA-N 1 0 419.529 4.052 20 30 HIEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCCC[NH+]3CCCCCC3)c2)c1 ZINC000511509284 920127263 /nfs/dbraw/zinc/12/72/63/920127263.db2.gz AMPQVGRRVFWXPO-UHFFFAOYSA-N 1 0 419.529 4.198 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+](C)Cc2ccc(OC)c(O)c2)cc1OC ZINC000511526303 920146947 /nfs/dbraw/zinc/14/69/47/920146947.db2.gz YJQINQNRBOUPBC-UHFFFAOYSA-N 1 0 422.319 4.369 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(C(=O)N2CCCCC2)c1)C(C)C ZINC000511628466 920289225 /nfs/dbraw/zinc/28/92/25/920289225.db2.gz NJRKGAQJIONPTO-QFIPXVFZSA-N 1 0 412.578 4.133 20 30 HIEDRO N#Cc1ccc(C2(C(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3c3ccccc3)CC2)cc1 ZINC000511743917 920420717 /nfs/dbraw/zinc/42/07/17/920420717.db2.gz NUOGDPOKRRHNQC-IZZNHLLZSA-N 1 0 421.544 4.374 20 30 HIEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000511828117 920528954 /nfs/dbraw/zinc/52/89/54/920528954.db2.gz XGLBSWNDHHMDAG-PMACEKPBSA-N 1 0 401.432 4.119 20 30 HIEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000511911544 920650745 /nfs/dbraw/zinc/65/07/45/920650745.db2.gz TYPFELQTABDBHC-QFIPXVFZSA-N 1 0 406.530 4.328 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000512348746 921094567 /nfs/dbraw/zinc/09/45/67/921094567.db2.gz WWBXPMWFQUYXTQ-PGRDOPGGSA-N 1 0 423.582 4.391 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)c(-c2ccccc2)n1 ZINC000512354588 921100630 /nfs/dbraw/zinc/10/06/30/921100630.db2.gz GQAQYLQVEQXDKQ-UHFFFAOYSA-N 1 0 419.573 4.125 20 30 HIEDRO C=CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1OCC ZINC000513489748 921842297 /nfs/dbraw/zinc/84/22/97/921842297.db2.gz JSTYBCPNZIYBTJ-QGZVFWFLSA-N 1 0 409.368 4.081 20 30 HIEDRO CC(C)CN(C(=O)c1cccc(COc2ccccc2C#N)c1)C1CC[NH+](C)CC1 ZINC000513721546 922040956 /nfs/dbraw/zinc/04/09/56/922040956.db2.gz XXYKUROZXYAUJC-UHFFFAOYSA-N 1 0 405.542 4.330 20 30 HIEDRO Cc1ccc([C@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)[NH+](C)C)cc1 ZINC000513736354 922057913 /nfs/dbraw/zinc/05/79/13/922057913.db2.gz ZNUGCPLGDUKPEW-DEOSSOPVSA-N 1 0 413.521 4.478 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1c(C)cc(C)cc1C ZINC000514723694 922772920 /nfs/dbraw/zinc/77/29/20/922772920.db2.gz ZMEKFQYNCPAILW-UHFFFAOYSA-N 1 0 412.603 4.393 20 30 HIEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)cc1 ZINC000515107672 922921513 /nfs/dbraw/zinc/92/15/13/922921513.db2.gz LQXFAVKIIDUAMX-UHFFFAOYSA-N 1 0 410.470 4.053 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000515769018 923337859 /nfs/dbraw/zinc/33/78/59/923337859.db2.gz RGTWQVFIHKMPPP-UHFFFAOYSA-N 1 0 422.573 4.366 20 30 HIEDRO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cccc(COc4ccccc4C#N)c3)n1)OC2 ZINC000517202671 924049803 /nfs/dbraw/zinc/04/98/03/924049803.db2.gz RORIYYZWEMHTDP-URXFXBBRSA-N 1 0 416.481 4.113 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(OC3CCCC3)c(OC)c2)CC1 ZINC000517317311 924099217 /nfs/dbraw/zinc/09/92/17/924099217.db2.gz DYDMWODKUIGIDU-SFHVURJKSA-N 1 0 415.578 4.417 20 30 HIEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000517360541 924131693 /nfs/dbraw/zinc/13/16/93/924131693.db2.gz HWTIATIKSXJPBW-FQEVSTJZSA-N 1 0 415.468 4.494 20 30 HIEDRO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cccc(COc4ccc(C#N)cc4)c3)n1)OC2 ZINC000517435722 924185291 /nfs/dbraw/zinc/18/52/91/924185291.db2.gz QSQYRFRWPULPNR-URXFXBBRSA-N 1 0 416.481 4.113 20 30 HIEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517605394 926712807 /nfs/dbraw/zinc/71/28/07/926712807.db2.gz BJFNARDFXUEWMQ-OAQYLSRUSA-N 1 0 419.569 4.177 20 30 HIEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3SCCC#N)cc2)CC1 ZINC000518123707 927032451 /nfs/dbraw/zinc/03/24/51/927032451.db2.gz QHOFFXXTYDHMLD-UHFFFAOYSA-N 1 0 408.571 4.475 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000518179674 927067873 /nfs/dbraw/zinc/06/78/73/927067873.db2.gz GVLVPPMKGIFXBG-HSZRJFAPSA-N 1 0 420.557 4.197 20 30 HIEDRO C=CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255404 927112366 /nfs/dbraw/zinc/11/23/66/927112366.db2.gz BQLQSCZCLOUBOW-HNNXBMFYSA-N 1 0 403.408 4.310 20 30 HIEDRO N#Cc1ccc(Oc2ccc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)cc2)nc1 ZINC000518389747 927236195 /nfs/dbraw/zinc/23/61/95/927236195.db2.gz CAJITMBOYOIAPT-QHCPKHFHSA-N 1 0 412.493 4.312 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)c1C#N ZINC000518424549 927261304 /nfs/dbraw/zinc/26/13/04/927261304.db2.gz BGGPFSWJGWLLSO-UHFFFAOYSA-N 1 0 410.543 4.135 20 30 HIEDRO CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000518772734 927486891 /nfs/dbraw/zinc/48/68/91/927486891.db2.gz YPRRXUFGWWLAJY-UHFFFAOYSA-N 1 0 413.521 4.276 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1C#N ZINC000518791693 927494864 /nfs/dbraw/zinc/49/48/64/927494864.db2.gz VCZDQXPYHKPADI-HZPDHXFCSA-N 1 0 400.592 4.040 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2COc3ccccc3C2)cc1OC ZINC000518804518 927501633 /nfs/dbraw/zinc/50/16/33/927501633.db2.gz HEZZGBFSNCDKOI-INIZCTEOSA-N 1 0 404.304 4.116 20 30 HIEDRO Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000518977895 927670903 /nfs/dbraw/zinc/67/09/03/927670903.db2.gz MZDWFVMLKCUOPD-UHFFFAOYSA-N 1 0 422.451 4.021 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000519020974 927698455 /nfs/dbraw/zinc/69/84/55/927698455.db2.gz BNTFYZRJIONMRK-SFHVURJKSA-N 1 0 408.502 4.211 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)cc1OC ZINC000519779331 928072215 /nfs/dbraw/zinc/07/22/15/928072215.db2.gz PKBGWUFFQDNRES-SFHVURJKSA-N 1 0 420.347 4.058 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@H+](C)C[C@H](O)Cc2ccccc2)cc1OC ZINC000519779307 928072522 /nfs/dbraw/zinc/07/25/22/928072522.db2.gz PKBGWUFFQDNRES-GOSISDBHSA-N 1 0 420.347 4.058 20 30 HIEDRO C=CCCO[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC(C)(C)[NH2+]C2(C)C ZINC000520000750 928227046 /nfs/dbraw/zinc/22/70/46/928227046.db2.gz HEAXSCANTQPVSR-CYBMUJFWSA-N 1 0 408.564 4.004 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCN(Cc4ccccc4)C3=O)c2)c1 ZINC000520221128 928397114 /nfs/dbraw/zinc/39/71/14/928397114.db2.gz PVPIBJVJXBQJPI-VWLOTQADSA-N 1 0 411.505 4.028 20 30 HIEDRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000520246929 928415449 /nfs/dbraw/zinc/41/54/49/928415449.db2.gz JNOISYSGOXJQKN-FQEVSTJZSA-N 1 0 421.495 4.398 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000520710475 928760139 /nfs/dbraw/zinc/76/01/39/928760139.db2.gz VCSSYZJGTOIEJS-SFHVURJKSA-N 1 0 411.521 4.415 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000520941253 928883962 /nfs/dbraw/zinc/88/39/62/928883962.db2.gz HILWKBROEOHXGJ-KRWDZBQOSA-N 1 0 412.559 4.343 20 30 HIEDRO Cc1ccc(C(=O)NCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cc1F ZINC000520952038 928887317 /nfs/dbraw/zinc/88/73/17/928887317.db2.gz BZODJXYJFBOHDS-UHFFFAOYSA-N 1 0 417.484 4.104 20 30 HIEDRO N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000521113036 929003194 /nfs/dbraw/zinc/00/31/94/929003194.db2.gz WHDKIZDGMONOCS-ZKMFCFPVSA-N 1 0 417.553 4.277 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccsc1 ZINC000524526788 929665490 /nfs/dbraw/zinc/66/54/90/929665490.db2.gz YTVCCXWULCJMHH-QFIPXVFZSA-N 1 0 405.523 4.231 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000524590197 929701554 /nfs/dbraw/zinc/70/15/54/929701554.db2.gz YRYHFTUIEJWTAU-QGZVFWFLSA-N 1 0 424.358 4.303 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000525244374 930103009 /nfs/dbraw/zinc/10/30/09/930103009.db2.gz PBQLGKVFKBUGCC-RBUKOAKNSA-N 1 0 409.530 4.468 20 30 HIEDRO C=CCOc1ccc(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1OC ZINC000525570774 930336601 /nfs/dbraw/zinc/33/66/01/930336601.db2.gz UDSWQXSNHHCQMA-LAUBAEHRSA-N 1 0 400.544 4.134 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cc2ccccc2s1 ZINC000525952192 930493085 /nfs/dbraw/zinc/49/30/85/930493085.db2.gz NWZPCQPAQNBJMV-AEFFLSMTSA-N 1 0 424.595 4.022 20 30 HIEDRO CCCc1c(NC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cnn1-c1cccc(C#N)c1 ZINC000526162914 930542485 /nfs/dbraw/zinc/54/24/85/930542485.db2.gz GWDWUTKLKKHBSA-UHFFFAOYSA-N 1 0 422.577 4.281 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccnc(N4CCCCCC4)c3)CC2)cc1 ZINC000527108490 930592902 /nfs/dbraw/zinc/59/29/02/930592902.db2.gz FLXWDUUDKMQSOE-UHFFFAOYSA-N 1 0 403.574 4.088 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000530670022 930793699 /nfs/dbraw/zinc/79/36/99/930793699.db2.gz YTZRZXYXYJZFHB-KNQAVFIVSA-N 1 0 415.459 4.319 20 30 HIEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)CC1 ZINC000530735684 930812590 /nfs/dbraw/zinc/81/25/90/930812590.db2.gz CLQQMKLRMMYNMX-UHFFFAOYSA-N 1 0 403.511 4.240 20 30 HIEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N(Cc2ccco2)c2ccccc2C#N)CC1 ZINC000530978661 930874823 /nfs/dbraw/zinc/87/48/23/930874823.db2.gz IUQKYIWBARHFED-UHFFFAOYSA-N 1 0 400.482 4.305 20 30 HIEDRO N#Cc1cccc(CC(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000531386559 931040116 /nfs/dbraw/zinc/04/01/16/931040116.db2.gz VLHHVEWOBBRSIX-UHFFFAOYSA-N 1 0 424.548 4.057 20 30 HIEDRO COc1ccccc1[C@@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000531587402 931110443 /nfs/dbraw/zinc/11/04/43/931110443.db2.gz FCDVMVHJXOJUFR-GOSISDBHSA-N 1 0 411.933 4.393 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCN(C(=O)C3CCCCC3)C2)c1 ZINC000531610598 931124354 /nfs/dbraw/zinc/12/43/54/931124354.db2.gz OWVFTSOAXFTPQK-XMMPIXPASA-N 1 0 417.553 4.408 20 30 HIEDRO COc1cc(C)c([C@@H](C)NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1OC ZINC000532155469 931331131 /nfs/dbraw/zinc/33/11/31/931331131.db2.gz JVNZHSYUIOJLJO-LJQANCHMSA-N 1 0 423.557 4.219 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000532226634 931362434 /nfs/dbraw/zinc/36/24/34/931362434.db2.gz PLKZVAAAKKGQFG-HRAATJIYSA-N 1 0 421.520 4.301 20 30 HIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)c1 ZINC000532505569 931465673 /nfs/dbraw/zinc/46/56/73/931465673.db2.gz LQPBUSVFGCTAQI-ICSRJNTNSA-N 1 0 408.521 4.290 20 30 HIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)c1 ZINC000532505559 931465995 /nfs/dbraw/zinc/46/59/95/931465995.db2.gz LQPBUSVFGCTAQI-AZUAARDMSA-N 1 0 408.521 4.290 20 30 HIEDRO N#Cc1ccsc1NC(=O)CC[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000532662546 931575001 /nfs/dbraw/zinc/57/50/01/931575001.db2.gz POFVPPGMYVXLAG-UHFFFAOYSA-N 1 0 404.333 4.380 20 30 HIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+](Cc1cc(Br)ccc1F)C1CC1 ZINC000532926387 931698734 /nfs/dbraw/zinc/69/87/34/931698734.db2.gz LKFKQTBUEMAZCR-UHFFFAOYSA-N 1 0 416.294 4.453 20 30 HIEDRO CC(C)CCOC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000532929888 931699955 /nfs/dbraw/zinc/69/99/55/931699955.db2.gz NVYNUMLLMWSFCE-UHFFFAOYSA-N 1 0 403.592 4.354 20 30 HIEDRO C=CCc1cc(C[NH2+]C(C)(C)COc2ncccc2Br)cc(OC)c1O ZINC000532993679 931730467 /nfs/dbraw/zinc/73/04/67/931730467.db2.gz CDOZBQQFPZABFG-UHFFFAOYSA-N 1 0 421.335 4.234 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](c1ccccc1)C1CCC1 ZINC000533054910 931755694 /nfs/dbraw/zinc/75/56/94/931755694.db2.gz CGTRNZXNNDWRLS-QHCPKHFHSA-N 1 0 408.546 4.083 20 30 HIEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000533295122 931831617 /nfs/dbraw/zinc/83/16/17/931831617.db2.gz OVCKMGKWSYVSEM-OAHLLOKOSA-N 1 0 412.331 4.311 20 30 HIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000533375258 931852686 /nfs/dbraw/zinc/85/26/86/931852686.db2.gz LCKPTBWRCQKBCS-KURKYZTESA-N 1 0 414.619 4.164 20 30 HIEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)CC(=O)Nc1c(C)cccc1C ZINC000533390084 931856272 /nfs/dbraw/zinc/85/62/72/931856272.db2.gz YVHHYWYTHGSCHN-UHFFFAOYSA-N 1 0 424.570 4.015 20 30 HIEDRO CCCO[C@@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000533419557 931862555 /nfs/dbraw/zinc/86/25/55/931862555.db2.gz HHHMWHFKKWQYJX-DLBZAZTESA-N 1 0 403.592 4.354 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000533425535 931864307 /nfs/dbraw/zinc/86/43/07/931864307.db2.gz JMXXBEKRPUVBMI-QGZVFWFLSA-N 1 0 414.619 4.166 20 30 HIEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534970356 932868142 /nfs/dbraw/zinc/86/81/42/932868142.db2.gz AUSVURONVMWCKR-WIYYLYMNSA-N 1 0 414.912 4.185 20 30 HIEDRO COc1ccc([C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C2CC2)cc1 ZINC000537287825 933698557 /nfs/dbraw/zinc/69/85/57/933698557.db2.gz QBSLKRDBALPRNI-HXOBKFHXSA-N 1 0 407.514 4.080 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@H]3CCCN(Cc4cccs4)C3)CC2)cc1 ZINC000537293877 933700767 /nfs/dbraw/zinc/70/07/67/933700767.db2.gz KMEYUKJPFXVXRD-JOCHJYFZSA-N 1 0 408.615 4.086 20 30 HIEDRO C=CCOc1ccccc1C[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)CC1 ZINC000537636371 938342218 /nfs/dbraw/zinc/34/22/18/938342218.db2.gz GDGJCWAHINSBHL-KRWDZBQOSA-N 1 0 420.509 4.066 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)cc1OC ZINC000537648833 938346874 /nfs/dbraw/zinc/34/68/74/938346874.db2.gz VSXVXFUAOORTPR-KRWDZBQOSA-N 1 0 410.352 4.271 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(Cc4cccnc4)CC3)sc2C1 ZINC000537840342 938387214 /nfs/dbraw/zinc/38/72/14/938387214.db2.gz CNNQKIGZIISLIM-KRWDZBQOSA-N 1 0 422.598 4.423 20 30 HIEDRO C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537979452 938445633 /nfs/dbraw/zinc/44/56/33/938445633.db2.gz GZLIHOJLDUDWAL-XKCQYKTASA-N 1 0 404.558 4.143 20 30 HIEDRO C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537979450 938445669 /nfs/dbraw/zinc/44/56/69/938445669.db2.gz GZLIHOJLDUDWAL-QKUGCNQQSA-N 1 0 404.558 4.143 20 30 HIEDRO C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537979449 938445709 /nfs/dbraw/zinc/44/57/09/938445709.db2.gz GZLIHOJLDUDWAL-ONWOKTLXSA-N 1 0 404.558 4.143 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000563324378 945180182 /nfs/dbraw/zinc/18/01/82/945180182.db2.gz MXAIIFMWKSFRMA-MHECFPHRSA-N 1 0 424.504 4.267 20 30 HIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)c1 ZINC000538130106 938514742 /nfs/dbraw/zinc/51/47/42/938514742.db2.gz ZQBSOWHBWZDUOW-CVEARBPZSA-N 1 0 410.543 4.329 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)c2)cc1 ZINC000538208215 938555965 /nfs/dbraw/zinc/55/59/65/938555965.db2.gz OVHXGRLYJSTEDZ-JOCHJYFZSA-N 1 0 418.541 4.281 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)c1 ZINC000538390944 938609374 /nfs/dbraw/zinc/60/93/74/938609374.db2.gz HAVPGDPBHZZBOU-RUZDIDTESA-N 1 0 419.525 4.062 20 30 HIEDRO Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)nn1-c1ccc(Cl)cc1Cl ZINC000538630013 938666788 /nfs/dbraw/zinc/66/67/88/938666788.db2.gz VMPMKIJJABZRFI-UHFFFAOYSA-N 1 0 423.348 4.187 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c(OC(F)F)c1 ZINC000538666536 938680244 /nfs/dbraw/zinc/68/02/44/938680244.db2.gz VFLGMNDTYXGWEO-SFHVURJKSA-N 1 0 409.440 4.324 20 30 HIEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000538808611 938718279 /nfs/dbraw/zinc/71/82/79/938718279.db2.gz FPJKPFWJCQXSGT-UHFFFAOYSA-N 1 0 421.589 4.259 20 30 HIEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000538874512 938729081 /nfs/dbraw/zinc/72/90/81/938729081.db2.gz MSWWBDDFLREERF-QHCPKHFHSA-N 1 0 405.546 4.375 20 30 HIEDRO CCN1CC[C@H](NC(=O)CSc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539133231 938808662 /nfs/dbraw/zinc/80/86/62/938808662.db2.gz QUKMTRYVDFIGRR-PZJWPPBQSA-N 1 0 417.937 4.395 20 30 HIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)c1 ZINC000539232527 938822653 /nfs/dbraw/zinc/82/26/53/938822653.db2.gz HREMIPVTYNSSOE-HZPDHXFCSA-N 1 0 410.543 4.186 20 30 HIEDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)ccc1OCc1ccccc1 ZINC000539255623 938827681 /nfs/dbraw/zinc/82/76/81/938827681.db2.gz NPXQOWMPDPCVRG-GOSISDBHSA-N 1 0 415.493 4.435 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)c1 ZINC000539259169 938828520 /nfs/dbraw/zinc/82/85/20/938828520.db2.gz ONRRMICPLQHUQM-SFTDATJTSA-N 1 0 415.541 4.475 20 30 HIEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)c(C#N)c1C ZINC000539263600 938829499 /nfs/dbraw/zinc/82/94/99/938829499.db2.gz RBOPFRLDJURWKW-LBPRGKRZSA-N 1 0 411.449 4.467 20 30 HIEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH2+][C@@H](C)c2ccccc2)cc1 ZINC000539302000 938837008 /nfs/dbraw/zinc/83/70/08/938837008.db2.gz WBITXEAXHWSZMM-KRWDZBQOSA-N 1 0 402.498 4.264 20 30 HIEDRO CCCC[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(OC)cc1 ZINC000539301981 938837040 /nfs/dbraw/zinc/83/70/40/938837040.db2.gz VLOCLWXNEARARG-JOCHJYFZSA-N 1 0 417.513 4.212 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+]C(C)(C)c2cccc(F)c2)c1C#N ZINC000539315768 938840154 /nfs/dbraw/zinc/84/01/54/938840154.db2.gz MYGCBLVEJLPPDP-UHFFFAOYSA-N 1 0 408.477 4.220 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c1C ZINC000539333899 938843465 /nfs/dbraw/zinc/84/34/65/938843465.db2.gz JKMCIGYVKKTRLR-FYYLOGMGSA-N 1 0 405.542 4.308 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000539425699 938858890 /nfs/dbraw/zinc/85/88/90/938858890.db2.gz XRYHICJCXICFEC-ROUUACIJSA-N 1 0 401.860 4.454 20 30 HIEDRO C[C@@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000539490682 938867674 /nfs/dbraw/zinc/86/76/74/938867674.db2.gz HNOKUZGXRRYMEZ-LRTDBIEQSA-N 1 0 411.889 4.051 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCCN(c4ccccc4Cl)C3)CC2)cc1 ZINC000539494887 938868526 /nfs/dbraw/zinc/86/85/26/938868526.db2.gz TZSHJDFEKJMACR-QFIPXVFZSA-N 1 0 408.977 4.435 20 30 HIEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000539497748 938868914 /nfs/dbraw/zinc/86/89/14/938868914.db2.gz UZZAIXYZSDYRIA-SFHVURJKSA-N 1 0 402.542 4.222 20 30 HIEDRO Cc1cc(C[C@@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)n(-c2ccccc2)n1 ZINC000539510519 938871170 /nfs/dbraw/zinc/87/11/70/938871170.db2.gz FPVSXIGPHPVDHX-HXUWFJFHSA-N 1 0 413.569 4.238 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c1 ZINC000539635327 938891456 /nfs/dbraw/zinc/89/14/56/938891456.db2.gz SRQMBVKRUNZSIJ-FQEVSTJZSA-N 1 0 401.869 4.057 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000540320591 939193581 /nfs/dbraw/zinc/19/35/81/939193581.db2.gz DUWIPAHPZDUVOV-HOTGVXAUSA-N 1 0 417.456 4.283 20 30 HIEDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)ccc1OC(C)C ZINC000540354462 939204778 /nfs/dbraw/zinc/20/47/78/939204778.db2.gz MJKKOSAXXVSBNK-AWEZNQCLSA-N 1 0 401.894 4.297 20 30 HIEDRO Cc1ccccc1[C@H](CC(C)C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000540362955 939210961 /nfs/dbraw/zinc/21/09/61/939210961.db2.gz PUIVGXOMUFAJPS-QFIPXVFZSA-N 1 0 401.514 4.368 20 30 HIEDRO COc1cc([C@@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)ccc1OCC(C)C ZINC000540366584 939212148 /nfs/dbraw/zinc/21/21/48/939212148.db2.gz VUIGYPYPYYRBND-OAHLLOKOSA-N 1 0 401.532 4.343 20 30 HIEDRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)cc1Br ZINC000540364769 939212166 /nfs/dbraw/zinc/21/21/66/939212166.db2.gz CIUVFOLQIIYILM-ZDUSSCGKSA-N 1 0 402.292 4.009 20 30 HIEDRO CCOc1cccc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)c1 ZINC000540379946 939219689 /nfs/dbraw/zinc/21/96/89/939219689.db2.gz KUBRCRANUZFKTO-QGZVFWFLSA-N 1 0 420.513 4.306 20 30 HIEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](CCCO)c2ccccc2)c1C#N ZINC000540394532 939232571 /nfs/dbraw/zinc/23/25/71/939232571.db2.gz WDJBUWBLBFTBND-HSZRJFAPSA-N 1 0 416.525 4.008 20 30 HIEDRO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000540399958 939234998 /nfs/dbraw/zinc/23/49/98/939234998.db2.gz WCVYSNMBMNKQDJ-SFHVURJKSA-N 1 0 417.484 4.243 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(-c2cccnc2)cc1 ZINC000540433926 939247584 /nfs/dbraw/zinc/24/75/84/939247584.db2.gz BYGUHGYAJWDIGR-GOSISDBHSA-N 1 0 422.492 4.095 20 30 HIEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000540522211 939286952 /nfs/dbraw/zinc/28/69/52/939286952.db2.gz QIDIKNFHQGTSAN-SGTLLEGYSA-N 1 0 401.860 4.408 20 30 HIEDRO Cc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(OC[C@@H]2CCCO2)c1 ZINC000540594790 939314077 /nfs/dbraw/zinc/31/40/77/939314077.db2.gz OKVOOGQXGZXUJX-VWLOTQADSA-N 1 0 419.569 4.179 20 30 HIEDRO C[C@@H]([NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc(C#N)cc1 ZINC000540595099 939314653 /nfs/dbraw/zinc/31/46/53/939314653.db2.gz UODQQVWJZBFHFZ-IIBYNOLFSA-N 1 0 403.448 4.301 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000541024836 939433300 /nfs/dbraw/zinc/43/33/00/939433300.db2.gz SFCSCGOQFKZTOW-QZTJIDSGSA-N 1 0 408.571 4.496 20 30 HIEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000563694118 945252691 /nfs/dbraw/zinc/25/26/91/945252691.db2.gz YQJMCDYWCGLSHK-AWEZNQCLSA-N 1 0 405.468 4.254 20 30 HIEDRO COc1ccc(COC[C@@H](O)C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 ZINC000541086343 939455144 /nfs/dbraw/zinc/45/51/44/939455144.db2.gz VYLFUIAFHAQHNN-CLOONOSVSA-N 1 0 416.521 4.462 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccn(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000542105718 939715789 /nfs/dbraw/zinc/71/57/89/939715789.db2.gz CQIBBJXZKLHOFY-UHFFFAOYSA-N 1 0 407.440 4.053 20 30 HIEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)c3ncc(Cl)c(C)c3C#N)CC2)c1C ZINC000542278582 939782929 /nfs/dbraw/zinc/78/29/29/939782929.db2.gz ZRRBQBDETOLAAW-UHFFFAOYSA-N 1 0 413.953 4.036 20 30 HIEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)Nc3sccc3C#N)s2)cc1 ZINC000542570167 939844907 /nfs/dbraw/zinc/84/49/07/939844907.db2.gz VJYRGLFAHMAJLM-LBPRGKRZSA-N 1 0 412.540 4.350 20 30 HIEDRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c1 ZINC000542956298 939885435 /nfs/dbraw/zinc/88/54/35/939885435.db2.gz RXNBOMXZNVQLOY-UHFFFAOYSA-N 1 0 422.920 4.171 20 30 HIEDRO COc1cc(NC(=O)CC[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(OC)cc1Cl ZINC000543175825 939986208 /nfs/dbraw/zinc/98/62/08/939986208.db2.gz ISFQNFNINBWUNI-UHFFFAOYSA-N 1 0 413.905 4.222 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1COc2ccccc21 ZINC000543555628 940106964 /nfs/dbraw/zinc/10/69/64/940106964.db2.gz VMPIWVYCAUOLNN-KXBFYZLASA-N 1 0 409.555 4.372 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1COc2ccccc21 ZINC000543555627 940107105 /nfs/dbraw/zinc/10/71/05/940107105.db2.gz VMPIWVYCAUOLNN-HNAYVOBHSA-N 1 0 409.555 4.372 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000543585052 940119417 /nfs/dbraw/zinc/11/94/17/940119417.db2.gz FFYLVUZYEYEIKY-HZPDHXFCSA-N 1 0 401.576 4.107 20 30 HIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000543809962 940193446 /nfs/dbraw/zinc/19/34/46/940193446.db2.gz SZKTYOOEDSOLEX-CABCVRRESA-N 1 0 419.554 4.280 20 30 HIEDRO C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000563816891 945305733 /nfs/dbraw/zinc/30/57/33/945305733.db2.gz WCRPJDCMUASFLJ-QFBILLFUSA-N 1 0 409.408 4.246 20 30 HIEDRO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000544130854 940333943 /nfs/dbraw/zinc/33/39/43/940333943.db2.gz VYQWYXHASRRYIU-ICDZXHCJSA-N 1 0 405.542 4.280 20 30 HIEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000544460120 940440421 /nfs/dbraw/zinc/44/04/21/940440421.db2.gz ZCDLQNSOOKRJMQ-GJZGRUSLSA-N 1 0 410.461 4.133 20 30 HIEDRO CCC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000544530308 940472706 /nfs/dbraw/zinc/47/27/06/940472706.db2.gz NKZQYRKNMPPQSF-RTBURBONSA-N 1 0 412.578 4.011 20 30 HIEDRO CCN(C(=O)CCCCOc1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544850461 940519107 /nfs/dbraw/zinc/51/91/07/940519107.db2.gz BZYKADIIARCORC-QHCPKHFHSA-N 1 0 405.542 4.230 20 30 HIEDRO COc1ccc(C[C@@H](C)C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1F ZINC000545015260 940533706 /nfs/dbraw/zinc/53/37/06/940533706.db2.gz ONZMAIQFXRETDQ-QGZVFWFLSA-N 1 0 409.505 4.235 20 30 HIEDRO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000545385876 940567659 /nfs/dbraw/zinc/56/76/59/940567659.db2.gz WQFAAVFIBGRPGR-QGZVFWFLSA-N 1 0 411.933 4.011 20 30 HIEDRO CC[NH+](CC)CCOc1ccccc1-c1noc([C@@H](C)Oc2ccc(C#N)cc2)n1 ZINC000547006285 940952815 /nfs/dbraw/zinc/95/28/15/940952815.db2.gz YGWPSHPJCDUTPY-QGZVFWFLSA-N 1 0 406.486 4.469 20 30 HIEDRO CCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c2ncccc12 ZINC000547354876 941057894 /nfs/dbraw/zinc/05/78/94/941057894.db2.gz JZBLXBOZWXNBGY-UHFFFAOYSA-N 1 0 417.513 4.101 20 30 HIEDRO Cc1cc(NC(=O)c2ccc(C#N)c(Cl)c2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000548617419 941115476 /nfs/dbraw/zinc/11/54/76/941115476.db2.gz ZIJYPEPIJDJUKK-HXUWFJFHSA-N 1 0 419.916 4.416 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)c1ccc(C#N)cc1 ZINC000548936212 941130783 /nfs/dbraw/zinc/13/07/83/941130783.db2.gz NMUDMBYYDUKZMM-SFHVURJKSA-N 1 0 423.520 4.389 20 30 HIEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000548945330 941131920 /nfs/dbraw/zinc/13/19/20/941131920.db2.gz HFJZTDWAEUAAMZ-UHFFFAOYSA-N 1 0 404.562 4.236 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000549290816 941177317 /nfs/dbraw/zinc/17/73/17/941177317.db2.gz SLJQBKJBPMMUST-SFTDATJTSA-N 1 0 408.594 4.315 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000549299463 941178256 /nfs/dbraw/zinc/17/82/56/941178256.db2.gz RFTMVIGVQCEMHG-NRFANRHFSA-N 1 0 411.594 4.218 20 30 HIEDRO CC(C)N1CC[C@@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549341560 941181367 /nfs/dbraw/zinc/18/13/67/941181367.db2.gz VJAZLAXXEFWMSX-IRLDBZIGSA-N 1 0 414.912 4.103 20 30 HIEDRO C[C@H]([NH2+]Cc1ccc(Br)cc1C#N)C1CCN(CC(F)(F)F)CC1 ZINC000549628824 941202045 /nfs/dbraw/zinc/20/20/45/941202045.db2.gz CLMCYHPIRKTMFJ-LBPRGKRZSA-N 1 0 404.274 4.073 20 30 HIEDRO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000549685543 941204438 /nfs/dbraw/zinc/20/44/38/941204438.db2.gz OFLGYGCBUYXMGN-UHFFFAOYSA-N 1 0 423.605 4.103 20 30 HIEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000549698582 941204992 /nfs/dbraw/zinc/20/49/92/941204992.db2.gz IQBAECBQYGMVBP-IBGZPJMESA-N 1 0 404.562 4.238 20 30 HIEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000549888911 941228733 /nfs/dbraw/zinc/22/87/33/941228733.db2.gz FYYBWSFGPLLTMG-SFHVURJKSA-N 1 0 403.505 4.198 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](C(C)C)C2(CO)CCC2)c1C#N ZINC000550100459 941284467 /nfs/dbraw/zinc/28/44/67/941284467.db2.gz CTDWPAOIHIVIHB-QFIPXVFZSA-N 1 0 414.594 4.197 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[N@@H+](Cc3cccc(C(N)=O)c3)C3CC3)c2)c1 ZINC000550219421 941300621 /nfs/dbraw/zinc/30/06/21/941300621.db2.gz PBNDOTQZSLDYJX-UHFFFAOYSA-N 1 0 411.505 4.401 20 30 HIEDRO COc1cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1OCc1cccc(C#N)c1 ZINC000550238350 941302461 /nfs/dbraw/zinc/30/24/61/941302461.db2.gz BRRZGSMEMSEUHP-RUZDIDTESA-N 1 0 405.542 4.064 20 30 HIEDRO COc1ccc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c(Cl)c1OC ZINC000550239715 941302518 /nfs/dbraw/zinc/30/25/18/941302518.db2.gz XISRDGMFFCUWJB-UHFFFAOYSA-N 1 0 424.932 4.467 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1OC ZINC000552102538 941585262 /nfs/dbraw/zinc/58/52/62/941585262.db2.gz DWTZDWBPUYHYKL-KRWDZBQOSA-N 1 0 423.395 4.186 20 30 HIEDRO CC(C)(C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1cc(F)cc(C#N)c1 ZINC000552290111 941623361 /nfs/dbraw/zinc/62/33/61/941623361.db2.gz ZFKUEACBJDGRFU-SANMLTNESA-N 1 0 419.544 4.490 20 30 HIEDRO CC(C)[NH+]1CCC(N(C)C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000553103857 941833596 /nfs/dbraw/zinc/83/35/96/941833596.db2.gz AKPCQTIFBNZDSM-UHFFFAOYSA-N 1 0 416.997 4.149 20 30 HIEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000553230776 941853371 /nfs/dbraw/zinc/85/33/71/941853371.db2.gz AUYGOAGSRPJZHC-CALCHBBNSA-N 1 0 408.427 4.092 20 30 HIEDRO C[C@@H]([NH2+]C1(CNc2nc3cc(Cl)ccn3c2C#N)CCOCC1)c1ccccc1 ZINC000553392316 941878269 /nfs/dbraw/zinc/87/82/69/941878269.db2.gz URUBELHEGCWLOW-MRXNPFEDSA-N 1 0 409.921 4.171 20 30 HIEDRO C[C@@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC[N@@H+](C2CCC2)C1 ZINC000553518487 941901254 /nfs/dbraw/zinc/90/12/54/941901254.db2.gz FKDMGNDICNMNTJ-IBGZPJMESA-N 1 0 403.526 4.084 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CCSC[C@H]2c2ccccc2)cc1 ZINC000554658480 942189677 /nfs/dbraw/zinc/18/96/77/942189677.db2.gz LLFPEYXJMNZLLC-QFIPXVFZSA-N 1 0 409.555 4.122 20 30 HIEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)cc1 ZINC000555070668 942376257 /nfs/dbraw/zinc/37/62/57/942376257.db2.gz GLTHGOHXPXKOMN-PZJWPPBQSA-N 1 0 404.432 4.252 20 30 HIEDRO C[C@@H]([NH2+]C1(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCCC1)c1ccccc1 ZINC000556138768 942810270 /nfs/dbraw/zinc/81/02/70/942810270.db2.gz DCXWXZZZQZOYJG-OAHLLOKOSA-N 1 0 416.447 4.365 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCc4sc(Br)cc43)C2=O)cc1 ZINC000556169592 942813497 /nfs/dbraw/zinc/81/34/97/942813497.db2.gz BSANNDHHWJEHLU-CVEARBPZSA-N 1 0 416.344 4.155 20 30 HIEDRO COc1cc([C@H](C)[NH2+]Cc2cnc3ccc(C#N)cn23)ccc1OCc1ccncc1 ZINC000556596330 942909975 /nfs/dbraw/zinc/90/99/75/942909975.db2.gz NSYSODIEGXSIOS-KRWDZBQOSA-N 1 0 413.481 4.039 20 30 HIEDRO CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000556896949 942956653 /nfs/dbraw/zinc/95/66/53/942956653.db2.gz IBSVLHDTLFHPJZ-AYRHNUGRSA-N 1 0 403.570 4.464 20 30 HIEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000556995717 942990453 /nfs/dbraw/zinc/99/04/53/942990453.db2.gz KSCDAGHSXBUIQQ-IBGZPJMESA-N 1 0 404.562 4.238 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc1Cl ZINC000557224222 943056028 /nfs/dbraw/zinc/05/60/28/943056028.db2.gz FOKVDRSLPYTORC-QHCPKHFHSA-N 1 0 404.901 4.447 20 30 HIEDRO C=CCn1cccc1C(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000557448908 943132897 /nfs/dbraw/zinc/13/28/97/943132897.db2.gz PLSJMIBEBKHTNJ-DEOSSOPVSA-N 1 0 414.553 4.376 20 30 HIEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000557660462 943250718 /nfs/dbraw/zinc/25/07/18/943250718.db2.gz LUHSVZKVNQZDGM-UHFFFAOYSA-N 1 0 421.472 4.189 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](OCC2CC2)c2ccc(Cl)cc2)CC1 ZINC000557845636 943310835 /nfs/dbraw/zinc/31/08/35/943310835.db2.gz LWIFHCCYAHWWJK-NRFANRHFSA-N 1 0 405.970 4.147 20 30 HIEDRO COc1cc(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000558131484 943389877 /nfs/dbraw/zinc/38/98/77/943389877.db2.gz BZMWGGDTRRLBJW-CVDCTZTESA-N 1 0 405.542 4.204 20 30 HIEDRO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000558131483 943389895 /nfs/dbraw/zinc/38/98/95/943389895.db2.gz BZMWGGDTRRLBJW-AUSIDOKSSA-N 1 0 405.542 4.204 20 30 HIEDRO N#CCCn1cc(C(=O)CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c2ccccc21 ZINC000558290265 943486314 /nfs/dbraw/zinc/48/63/14/943486314.db2.gz XZCUWAFTIOYNEC-NRFANRHFSA-N 1 0 406.574 4.326 20 30 HIEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000558454828 943564605 /nfs/dbraw/zinc/56/46/05/943564605.db2.gz ONBNUACJIVRRJX-FQEVSTJZSA-N 1 0 412.541 4.104 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(F)c(Br)cc2OCC)CC1 ZINC000558515416 943583977 /nfs/dbraw/zinc/58/39/77/943583977.db2.gz OPPJLLRPXJQYAK-UHFFFAOYSA-N 1 0 414.319 4.149 20 30 HIEDRO Cc1cc(C#N)cnc1C(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000558932134 943754280 /nfs/dbraw/zinc/75/42/80/943754280.db2.gz STJQGWIQLJSSKV-UHFFFAOYSA-N 1 0 410.521 4.455 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000559000387 943797440 /nfs/dbraw/zinc/79/74/40/943797440.db2.gz DYALQZXOGCIJIR-RTBURBONSA-N 1 0 415.557 4.301 20 30 HIEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C1 ZINC000559169754 943860011 /nfs/dbraw/zinc/86/00/11/943860011.db2.gz SCTMHWOUAPRZJP-IBGZPJMESA-N 1 0 420.586 4.095 20 30 HIEDRO Cc1cc(C#N)cnc1C(=O)N(CCC[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000559515973 943990924 /nfs/dbraw/zinc/99/09/24/943990924.db2.gz DMTJMYDCUYSQJU-UHFFFAOYSA-N 1 0 412.537 4.445 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)c2csc(-c3ccccc3F)n2)CC1 ZINC000559613490 944016297 /nfs/dbraw/zinc/01/62/97/944016297.db2.gz MJAMSTLRINXROV-UHFFFAOYSA-N 1 0 401.551 4.384 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCN(C)c4ccccc4C3)sc2C1 ZINC000559976857 944107185 /nfs/dbraw/zinc/10/71/85/944107185.db2.gz QROUKDZRHZJNEP-INIZCTEOSA-N 1 0 408.571 4.025 20 30 HIEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H](c2cncc(Br)c2)C2CC2)cc1Cl ZINC000560182638 944189752 /nfs/dbraw/zinc/18/97/52/944189752.db2.gz OAMQBJGTJBDGBK-SFHVURJKSA-N 1 0 419.710 4.049 20 30 HIEDRO CCn1c2ccc(C#N)cc2nc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000560617766 944275646 /nfs/dbraw/zinc/27/56/46/944275646.db2.gz PWFQUROCIXKRKZ-SFHVURJKSA-N 1 0 423.467 4.024 20 30 HIEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)cc1 ZINC000560729279 944312951 /nfs/dbraw/zinc/31/29/51/944312951.db2.gz SQDQOEQAQYYQIF-OAQYLSRUSA-N 1 0 406.457 4.214 20 30 HIEDRO C[C@@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000561057463 944420076 /nfs/dbraw/zinc/42/00/76/944420076.db2.gz SVBVLHHIGHUYCW-MSOLQXFVSA-N 1 0 416.997 4.055 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)c(C)c1OC ZINC000561930195 944862591 /nfs/dbraw/zinc/86/25/91/944862591.db2.gz BEIUBWOYRJFKLP-LJQANCHMSA-N 1 0 409.530 4.227 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(F)cc1 ZINC000562098308 944937350 /nfs/dbraw/zinc/93/73/50/944937350.db2.gz XKMFZXFKSRHHGH-JOCHJYFZSA-N 1 0 419.460 4.309 20 30 HIEDRO COc1ccc(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)cc1 ZINC000562243394 945039017 /nfs/dbraw/zinc/03/90/17/945039017.db2.gz IXPDVPMEOWNGCL-PZJWPPBQSA-N 1 0 423.532 4.424 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2ccc3cnn(C)c3c2)cc1OC ZINC000562281522 945053011 /nfs/dbraw/zinc/05/30/11/945053011.db2.gz RRVQFGCMQSGNLU-UHFFFAOYSA-N 1 0 416.319 4.199 20 30 HIEDRO N#Cc1ccc(C[NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)c(C(F)(F)F)c1 ZINC000564409934 945562132 /nfs/dbraw/zinc/56/21/32/945562132.db2.gz FQFYPLJXWLHWHT-CYBMUJFWSA-N 1 0 400.803 4.310 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)c1ccc(C#N)cc1 ZINC000565367814 945817761 /nfs/dbraw/zinc/81/77/61/945817761.db2.gz IWAGCSDIHKQKNL-BEFAXECRSA-N 1 0 404.495 4.241 20 30 HIEDRO N#Cc1ccc(C[NH2+]CCCNc2ccc(C(F)(F)F)cn2)c(C(F)(F)F)c1 ZINC000565745911 945878999 /nfs/dbraw/zinc/87/89/99/945878999.db2.gz PBLFNYWVFSNLBS-UHFFFAOYSA-N 1 0 402.342 4.583 20 30 HIEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2(c3cccc(Cl)c3)CCCC2)cc1 ZINC000568343717 946522156 /nfs/dbraw/zinc/52/21/56/946522156.db2.gz QPLUDPFUESQDJY-UHFFFAOYSA-N 1 0 402.947 4.087 20 30 HIEDRO C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1=O ZINC000569594077 946894015 /nfs/dbraw/zinc/89/40/15/946894015.db2.gz BEBLDQNBPZPVLT-KOSHJBKYSA-N 1 0 420.532 4.008 20 30 HIEDRO C[C@@H]1C[C@H](CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000570220995 947148170 /nfs/dbraw/zinc/14/81/70/947148170.db2.gz YQMIAQNWCICLBG-QUCCMNQESA-N 1 0 407.533 4.392 20 30 HIEDRO N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)s2)cc1 ZINC000571540057 947692858 /nfs/dbraw/zinc/69/28/58/947692858.db2.gz NLZCVAYXJRQBOD-UHFFFAOYSA-N 1 0 402.523 4.454 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2c3ccccc3CC23CCOCC3)c1C ZINC000571604721 947727079 /nfs/dbraw/zinc/72/70/79/947727079.db2.gz JFWJQWZVTVJBQB-VWLOTQADSA-N 1 0 417.553 4.234 20 30 HIEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(Br)cc1 ZINC000572067239 947837951 /nfs/dbraw/zinc/83/79/51/947837951.db2.gz IWNGVMIAODZHGQ-UHFFFAOYSA-N 1 0 406.711 4.435 20 30 HIEDRO N#Cc1cc(F)c(NCc2ccccc2C[NH+]2CCC(O)CC2)cc1Br ZINC000572162468 947853627 /nfs/dbraw/zinc/85/36/27/947853627.db2.gz WRTBXVPSLASYCG-UHFFFAOYSA-N 1 0 418.310 4.029 20 30 HIEDRO C[C@@H](C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000572646767 947966129 /nfs/dbraw/zinc/96/61/29/947966129.db2.gz KABZIVCAKDJMJD-MGPUTAFESA-N 1 0 401.432 4.071 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)c1C#N ZINC000572736140 947994123 /nfs/dbraw/zinc/99/41/23/947994123.db2.gz WBPZCBOTWKKGAQ-SFTDATJTSA-N 1 0 408.546 4.457 20 30 HIEDRO C=CCn1c(Cc2ccccn2)nnc1N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000573047549 948069619 /nfs/dbraw/zinc/06/96/19/948069619.db2.gz QBYSFYGEVMEWDR-NFBKMPQASA-N 1 0 416.573 4.112 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@@](O)(C(F)(F)F)CC2)c1 ZINC000573140640 948086274 /nfs/dbraw/zinc/08/62/74/948086274.db2.gz YRCLJOLKXYNVRB-NRFANRHFSA-N 1 0 404.432 4.417 20 30 HIEDRO N#CC(CC[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000573314728 948155957 /nfs/dbraw/zinc/15/59/57/948155957.db2.gz VGXJDGZRTYUNBQ-RPBOFIJWSA-N 1 0 403.570 4.119 20 30 HIEDRO C[C@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC[N@@H+](C2CCC2)C1 ZINC000573450560 948205578 /nfs/dbraw/zinc/20/55/78/948205578.db2.gz VRKWCXKUXCNPOK-LJQANCHMSA-N 1 0 403.526 4.084 20 30 HIEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000574698724 948505929 /nfs/dbraw/zinc/50/59/29/948505929.db2.gz YKKWNDHPNPMYPF-SFHVURJKSA-N 1 0 413.541 4.198 20 30 HIEDRO Cc1ccc(C(=O)N2CCC([NH2+]Cc3ccc(C#N)cc3C(F)(F)F)CC2)cc1 ZINC000574965686 948567072 /nfs/dbraw/zinc/56/70/72/948567072.db2.gz DISGROKTMJRWNL-UHFFFAOYSA-N 1 0 401.432 4.280 20 30 HIEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000575028910 948577400 /nfs/dbraw/zinc/57/74/00/948577400.db2.gz SNYRDHVBCKVLAJ-HOKHCIIBSA-N 1 0 421.589 4.054 20 30 HIEDRO C=CC[N@@H+](CCC(=O)Nc1cccc(Br)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000575216895 948634179 /nfs/dbraw/zinc/63/41/79/948634179.db2.gz TVQBTBYRMUESOF-UHFFFAOYSA-N 1 0 418.291 4.374 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(c3cc(Br)c(C#N)cc3F)CC2)cc1 ZINC000575365218 948655205 /nfs/dbraw/zinc/65/52/05/948655205.db2.gz PYEFQIBVSHXWOO-UHFFFAOYSA-N 1 0 413.294 4.044 20 30 HIEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164626627 719071413 /nfs/dbraw/zinc/07/14/13/719071413.db2.gz OVIVXCRGUNDGSM-QFBILLFUSA-N 1 0 402.876 4.252 20 30 HIEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164629906 719080372 /nfs/dbraw/zinc/08/03/72/719080372.db2.gz ZVNQEGFZFGKJBN-ZWKOTPCHSA-N 1 0 402.876 4.252 20 30 HIEDRO Cc1cnc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c(C#C[Si](C)(C)C)c1 ZINC001164858956 720986483 /nfs/dbraw/zinc/98/64/83/720986483.db2.gz JOMUPSXPSBPWRQ-IBGZPJMESA-N 1 0 409.654 4.237 20 30 HIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4ccncc4)ccc3C#N)C[C@H]21 ZINC001165028188 721822716 /nfs/dbraw/zinc/82/27/16/721822716.db2.gz UVNMFYWHZYUFJH-QQKQFIJSSA-N 1 0 424.552 4.147 20 30 HIEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C(C)C)ccc2C#N)CC1 ZINC001165023441 721838392 /nfs/dbraw/zinc/83/83/92/721838392.db2.gz XKJNKVRPJPMISF-UHFFFAOYSA-N 1 0 408.546 4.195 20 30 HIEDRO N#Cc1nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c(Cl)cc1Cl ZINC001164958928 722023941 /nfs/dbraw/zinc/02/39/41/722023941.db2.gz GVYJTHHUDFRDFP-UHFFFAOYSA-N 1 0 402.329 4.148 20 30 HIEDRO C[Si](C)(C)C#Cc1ccnc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164961294 722024612 /nfs/dbraw/zinc/02/46/12/722024612.db2.gz MNVMQOMRZBGKQD-UHFFFAOYSA-N 1 0 404.634 4.198 20 30 HIEDRO CCOc1ccc(NC(=S)C(C(=O)c2cc(C)n(C)c2C)[n+]2ccccc2)cc1 ZINC000010173873 845627214 /nfs/dbraw/zinc/62/72/14/845627214.db2.gz NNUKUFHIAHDBDH-UHFFFAOYSA-O 1 0 408.547 4.379 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000436295678 861602183 /nfs/dbraw/zinc/60/21/83/861602183.db2.gz PZUHOHSNSDUJQX-QTJGBDASSA-N 1 0 413.583 4.313 20 30 HIEDRO Cc1ccccc1NC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1cccc(CO)c1 ZINC000011166730 845761635 /nfs/dbraw/zinc/76/16/35/845761635.db2.gz IMVSYSKMLWOZOY-UHFFFAOYSA-O 1 0 413.469 4.104 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccc(F)cc2F)[n+]2ccccc2)c(C)n1C ZINC000011248672 845771965 /nfs/dbraw/zinc/77/19/65/845771965.db2.gz KPRLXXBNPHVWMH-UHFFFAOYSA-O 1 0 400.474 4.259 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000436309482 861613697 /nfs/dbraw/zinc/61/36/97/861613697.db2.gz SIEILYDSGKORBB-QIJUGHKUSA-N 1 0 419.974 4.404 20 30 HIEDRO C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000014855840 845986270 /nfs/dbraw/zinc/98/62/70/845986270.db2.gz ZDRQZTNVCNNTOC-QGZVFWFLSA-N 1 0 405.523 4.066 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000436332665 861637938 /nfs/dbraw/zinc/63/79/38/861637938.db2.gz PLLQEKCDZCJDJX-QPTUXGOLSA-N 1 0 405.517 4.336 20 30 HIEDRO CCCc1cc[n+](C(C(=O)c2cc(C)sc2C)C(=S)NC[C@H]2CCCO2)cc1 ZINC000022692248 846604984 /nfs/dbraw/zinc/60/49/84/846604984.db2.gz UPVIYUFHJKEZHV-GOSISDBHSA-O 1 0 417.620 4.312 20 30 HIEDRO CCOc1ccc(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccc(N(C)C)cc2)cc1 ZINC000022730081 846610719 /nfs/dbraw/zinc/61/07/19/846610719.db2.gz YVMXQULTRRPUDB-UHFFFAOYSA-O 1 0 420.558 4.490 20 30 HIEDRO CCC(CC)c1cc[n+](C(C(=O)c2cc(C)n(C)c2C)C(=S)NCCOC)cc1 ZINC000022793505 846621501 /nfs/dbraw/zinc/62/15/01/846621501.db2.gz OHOCJDDNZLVUFB-UHFFFAOYSA-O 1 0 416.611 4.008 20 30 HIEDRO CC(C)c1ccc(-c2noc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000022850489 846628811 /nfs/dbraw/zinc/62/88/11/846628811.db2.gz MZCZGMZAFWTLPS-UHFFFAOYSA-N 1 0 415.541 4.440 20 30 HIEDRO COc1ccccc1NC(=S)C(C(=O)c1cc(C)[nH]c1C)[n+]1ccc(N(C)C)cc1 ZINC000023580408 846722719 /nfs/dbraw/zinc/72/27/19/846722719.db2.gz TXKQBRIKBPVUNF-UHFFFAOYSA-O 1 0 423.562 4.045 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2c(C)cccc2C)[n+]2cccc(CO)c2)c(C)[nH]1 ZINC000023603107 846727517 /nfs/dbraw/zinc/72/75/17/846727517.db2.gz UYBHOWRBEQRZCR-UHFFFAOYSA-O 1 0 408.547 4.079 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1C#N ZINC000027147371 847256496 /nfs/dbraw/zinc/25/64/96/847256496.db2.gz ZZEMIGAMQOOPQN-UHFFFAOYSA-N 1 0 420.582 4.468 20 30 HIEDRO Cc1ccc([C@@H](OC[C@@H](O)C[N@@H+](C)Cc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000027208197 847266220 /nfs/dbraw/zinc/26/62/20/847266220.db2.gz RJDCVFAVPSKWOV-UIOOFZCWSA-N 1 0 400.522 4.466 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(CCOc3c(Cl)cccc3Cl)CC2)cc1 ZINC000028154761 847389687 /nfs/dbraw/zinc/38/96/87/847389687.db2.gz SOVHNSKXXKGESD-UHFFFAOYSA-N 1 0 404.341 4.452 20 30 HIEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)c4cccc(C#N)c4)cc3)CC2)c1 ZINC000029415983 847560042 /nfs/dbraw/zinc/56/00/42/847560042.db2.gz XBQPPMDLUOJGAP-UHFFFAOYSA-N 1 0 410.521 4.441 20 30 HIEDRO Cc1nc2ccccc2c(C)c1CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000029980550 847662938 /nfs/dbraw/zinc/66/29/38/847662938.db2.gz WIHJXGVRDQEEAR-UHFFFAOYSA-N 1 0 412.537 4.000 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1C#N ZINC000032463950 848032289 /nfs/dbraw/zinc/03/22/89/848032289.db2.gz GTMREAUTXQQPIH-UHFFFAOYSA-N 1 0 406.555 4.078 20 30 HIEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)Cc2cccc(C#N)c2)CC1 ZINC000043454620 848426200 /nfs/dbraw/zinc/42/62/00/848426200.db2.gz QTIILMSBTQFWMD-UHFFFAOYSA-N 1 0 411.937 4.017 20 30 HIEDRO C=C(C)CN(CC)C(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000046853366 848948200 /nfs/dbraw/zinc/94/82/00/848948200.db2.gz FNBZSUWNLRPJRR-UHFFFAOYSA-N 1 0 406.574 4.116 20 30 HIEDRO Cc1nc(-c2ccccc2)sc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000047011103 848972357 /nfs/dbraw/zinc/97/23/57/848972357.db2.gz ICCFRSUNMUSAPF-UHFFFAOYSA-N 1 0 404.539 4.194 20 30 HIEDRO COCC(=O)Nc1cccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000047700123 849092958 /nfs/dbraw/zinc/09/29/58/849092958.db2.gz YLFLSPLZMXHVFD-UHFFFAOYSA-N 1 0 415.493 4.012 20 30 HIEDRO CC1CC[NH+](CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000048161862 849183832 /nfs/dbraw/zinc/18/38/32/849183832.db2.gz HBJPYHRGTVXQDE-UHFFFAOYSA-N 1 0 406.530 4.185 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@H]3CCN(CC(F)(F)F)C3)c2)c1 ZINC000048745029 849261385 /nfs/dbraw/zinc/26/13/85/849261385.db2.gz NEYLXHUGHUKXMH-HXUWFJFHSA-N 1 0 403.448 4.111 20 30 HIEDRO N#CCc1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)cc1 ZINC000052045860 849544956 /nfs/dbraw/zinc/54/49/56/849544956.db2.gz JZSBKPAFFRMBJS-IBGZPJMESA-N 1 0 404.432 4.176 20 30 HIEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000054227777 849830068 /nfs/dbraw/zinc/83/00/68/849830068.db2.gz LAHJADRSCVDCKA-RXVVDRJESA-N 1 0 415.493 4.296 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCc4c3cccc4Cl)CC2)cc1 ZINC000056900971 850513157 /nfs/dbraw/zinc/51/31/57/850513157.db2.gz BDRRWNJZCVQFOC-JOCHJYFZSA-N 1 0 408.933 4.116 20 30 HIEDRO CC(C)[N@H+](CCOc1ccc(C#N)cc1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000057597879 850678272 /nfs/dbraw/zinc/67/82/72/850678272.db2.gz IUGZJDULEXPRSX-UHFFFAOYSA-N 1 0 405.420 4.305 20 30 HIEDRO CC(C)Cc1ccc(C(=O)C2CC[NH+](C[C@H](O)COc3ccc(C#N)cc3)CC2)cc1 ZINC000058934374 850961371 /nfs/dbraw/zinc/96/13/71/850961371.db2.gz JMIOFGJNJVHPRY-DEOSSOPVSA-N 1 0 420.553 4.091 20 30 HIEDRO N#Cc1ccsc1NC(=O)CC[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060483314 851115302 /nfs/dbraw/zinc/11/53/02/851115302.db2.gz RXMCXRAUSBIICR-UHFFFAOYSA-N 1 0 401.919 4.197 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(CC#N)cc1 ZINC000062379304 851535323 /nfs/dbraw/zinc/53/53/23/851535323.db2.gz CNWKPWPRJJTAGG-UHFFFAOYSA-N 1 0 404.436 4.367 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000063400912 851678916 /nfs/dbraw/zinc/67/89/16/851678916.db2.gz WCLRQIPSDAUMFH-UHFFFAOYSA-N 1 0 402.542 4.442 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1ccc(CC)cc1 ZINC000063440563 851690223 /nfs/dbraw/zinc/69/02/23/851690223.db2.gz MNYASVKIRXGJGJ-UHFFFAOYSA-O 1 0 412.579 4.043 20 30 HIEDRO COc1ccc(CC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c(OC)c1 ZINC000063776271 851760582 /nfs/dbraw/zinc/76/05/82/851760582.db2.gz VBSIZZKUIZFDJN-UHFFFAOYSA-N 1 0 402.494 4.487 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000437093117 862283900 /nfs/dbraw/zinc/28/39/00/862283900.db2.gz FXVGBGICOKHIAU-XVAXZDLZSA-N 1 0 406.486 4.162 20 30 HIEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000437112037 862300063 /nfs/dbraw/zinc/30/00/63/862300063.db2.gz SOOGFHCLADJTPQ-XQQGARBVSA-N 1 0 419.529 4.278 20 30 HIEDRO COc1ccc(C[NH2+]Cc2ccc(N3CCCCCC3)nc2)cc1OCCCC#N ZINC000064614099 851940484 /nfs/dbraw/zinc/94/04/84/851940484.db2.gz VNCUTKFJGWTBCE-UHFFFAOYSA-N 1 0 408.546 4.443 20 30 HIEDRO COc1ccc(C#N)cc1NC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000064743378 851974064 /nfs/dbraw/zinc/97/40/64/851974064.db2.gz PHVONMROZPHLNA-UHFFFAOYSA-N 1 0 400.482 4.070 20 30 HIEDRO C[NH+](C)CCN(C(=O)c1cccc(OCc2ccccc2C#N)c1)C1CCCCC1 ZINC000065746289 852242985 /nfs/dbraw/zinc/24/29/85/852242985.db2.gz CQESLAQVLKYVBO-UHFFFAOYSA-N 1 0 405.542 4.474 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000065930875 852322677 /nfs/dbraw/zinc/32/26/77/852322677.db2.gz JOUKJNGRGLTVKX-UHFFFAOYSA-N 1 0 417.534 4.383 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C/c1cccc(OC2CCCC2)c1 ZINC000072094212 852507417 /nfs/dbraw/zinc/50/74/17/852507417.db2.gz JUAKWKAXMZODJE-BUHFOSPRSA-N 1 0 417.553 4.483 20 30 HIEDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000097592672 852640643 /nfs/dbraw/zinc/64/06/43/852640643.db2.gz UVHREABFPXFLBK-QGZVFWFLSA-N 1 0 417.475 4.346 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000107528611 852773313 /nfs/dbraw/zinc/77/33/13/852773313.db2.gz ZFUDQQHBTXMUAB-UHFFFAOYSA-N 1 0 410.606 4.138 20 30 HIEDRO CC1CC[NH+]([C@@H](CNC(=O)CSCc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000107702521 852787977 /nfs/dbraw/zinc/78/79/77/852787977.db2.gz QZBWBRXVILQMMB-FQEVSTJZSA-N 1 0 413.612 4.442 20 30 HIEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000107716129 852790339 /nfs/dbraw/zinc/79/03/39/852790339.db2.gz XTWVHJGSSJTKLO-UHFFFAOYSA-N 1 0 407.583 4.340 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(COc2ccccc2)cc1 ZINC000107876224 852805840 /nfs/dbraw/zinc/80/58/40/852805840.db2.gz XOMGAJDGCZROAH-UHFFFAOYSA-N 1 0 413.521 4.341 20 30 HIEDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000110451892 853101186 /nfs/dbraw/zinc/10/11/86/853101186.db2.gz LUFNODCJEJCMPW-BGYRXZFFSA-N 1 0 417.553 4.187 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000111018976 853188103 /nfs/dbraw/zinc/18/81/03/853188103.db2.gz UMAXSHCFFMWTFT-FQEVSTJZSA-N 1 0 409.505 4.383 20 30 HIEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(=O)N(CCC#N)c1ccccc1 ZINC000111040867 853192369 /nfs/dbraw/zinc/19/23/69/853192369.db2.gz VYKCMIUGXGCBMZ-UHFFFAOYSA-N 1 0 419.504 4.027 20 30 HIEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000139937002 853426781 /nfs/dbraw/zinc/42/67/81/853426781.db2.gz ZYEZDMCRMYEKKG-XMSQKQJNSA-N 1 0 411.571 4.052 20 30 HIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000139936572 853427215 /nfs/dbraw/zinc/42/72/15/853427215.db2.gz ZYEZDMCRMYEKKG-AVRDEDQJSA-N 1 0 411.571 4.052 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccccc2C[NH+](C)C)cc1C ZINC000149898313 853633754 /nfs/dbraw/zinc/63/37/54/853633754.db2.gz UVIIDYRMANZRRD-UHFFFAOYSA-N 1 0 415.541 4.072 20 30 HIEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc(C)cc1 ZINC000186976695 853669164 /nfs/dbraw/zinc/66/91/64/853669164.db2.gz ZUQIOMQANZMXOQ-UHFFFAOYSA-O 1 0 400.524 4.216 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1c(C)noc1C)C(=S)N[C@@H]1CCCC[C@@H]1C ZINC000186962787 853669328 /nfs/dbraw/zinc/66/93/28/853669328.db2.gz NZLFYIZJPGRPSK-KBXCAEBGSA-O 1 0 400.568 4.248 20 30 HIEDRO COc1ccc(C[N@H+](CC(=O)NC2(C#N)CCCCC2)C2CCCCC2)cc1OC ZINC000215664735 853835383 /nfs/dbraw/zinc/83/53/83/853835383.db2.gz YDLMLPSYIDXMAK-UHFFFAOYSA-N 1 0 413.562 4.181 20 30 HIEDRO CN(C)[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1c(F)cccc1F ZINC000237023498 853952507 /nfs/dbraw/zinc/95/25/07/853952507.db2.gz CKPJJYHTQMWLPB-OAQYLSRUSA-N 1 0 409.484 4.134 20 30 HIEDRO C=C(C)CN1CCC([NH2+]Cc2cc(Br)c(OC(F)F)c(OC)c2)CC1 ZINC000237112822 853966283 /nfs/dbraw/zinc/96/62/83/853966283.db2.gz RARURNYBMKJLQI-UHFFFAOYSA-N 1 0 419.310 4.189 20 30 HIEDRO C=C[C@@H](C)[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 ZINC000237159006 853974610 /nfs/dbraw/zinc/97/46/10/853974610.db2.gz VIFIVIMQKQDZRB-CQSZACIVSA-N 1 0 408.420 4.396 20 30 HIEDRO COc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cc1NC(C)=O ZINC000237265103 853994059 /nfs/dbraw/zinc/99/40/59/853994059.db2.gz NYVURBZDDFSAIE-UHFFFAOYSA-N 1 0 415.493 4.394 20 30 HIEDRO C#CCCOc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000237391047 854021721 /nfs/dbraw/zinc/02/17/21/854021721.db2.gz BCLXJGKACNXSFR-FQEVSTJZSA-N 1 0 405.542 4.196 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCCNC(=O)c3ccc(F)cc3)c2)c1 ZINC000237723626 854083856 /nfs/dbraw/zinc/08/38/56/854083856.db2.gz LPEQVFXVFDSFPE-UHFFFAOYSA-N 1 0 417.484 4.186 20 30 HIEDRO N#Cc1ccc2ncc(C[NH2+]CC3(c4cccc(C(F)(F)F)c4)CCOCC3)n2c1 ZINC000237740576 854086993 /nfs/dbraw/zinc/08/69/93/854086993.db2.gz XALNIAKNMAZKFO-UHFFFAOYSA-N 1 0 414.431 4.063 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CC2(N3CCCCC3)CCOCC2)c1 ZINC000237837734 854106636 /nfs/dbraw/zinc/10/66/36/854106636.db2.gz MGRSJHOHFGANLG-UHFFFAOYSA-N 1 0 419.569 4.262 20 30 HIEDRO Cn1c(CC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)nc2c1cccc2F ZINC000237854412 854108348 /nfs/dbraw/zinc/10/83/48/854108348.db2.gz AABAHRQPQKMGSZ-UHFFFAOYSA-N 1 0 414.484 4.495 20 30 HIEDRO Cn1c(CC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)nc2c1cccc2F ZINC000237854331 854108443 /nfs/dbraw/zinc/10/84/43/854108443.db2.gz OBXWBYDIJAYEPH-UHFFFAOYSA-N 1 0 414.484 4.495 20 30 HIEDRO N#Cc1ccc2ncc(C[NH2+]Cc3cn(Cc4ccccc4)nc3-c3ccccc3)n2c1 ZINC000237857049 854109305 /nfs/dbraw/zinc/10/93/05/854109305.db2.gz FNPWWTNRNYQXMX-UHFFFAOYSA-N 1 0 418.504 4.408 20 30 HIEDRO CCN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000261396550 854247167 /nfs/dbraw/zinc/24/71/67/854247167.db2.gz SMHBMKNAZIVPAH-UTKZUKDTSA-N 1 0 410.949 4.308 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])c(C(F)(F)F)c3)CC2)cc1 ZINC000301063569 854284603 /nfs/dbraw/zinc/28/46/03/854284603.db2.gz BOZDYPHINGGUST-UHFFFAOYSA-N 1 0 404.392 4.198 20 30 HIEDRO COc1ccc([C@@H](CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[NH+]2CCCC2)cc1 ZINC000301349813 854367258 /nfs/dbraw/zinc/36/72/58/854367258.db2.gz MCDJYHWXJOFCJU-JOCHJYFZSA-N 1 0 417.469 4.272 20 30 HIEDRO C[C@H]1C[C@@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000301529503 854413293 /nfs/dbraw/zinc/41/32/93/854413293.db2.gz JGMQDPPZPVHLRT-LPHOPBHVSA-N 1 0 401.470 4.480 20 30 HIEDRO N#Cc1nc(Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)ccc1Cl ZINC000301565084 854420847 /nfs/dbraw/zinc/42/08/47/854420847.db2.gz YZMNFHFTFFSKTM-UHFFFAOYSA-N 1 0 404.905 4.067 20 30 HIEDRO Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000301778398 854464138 /nfs/dbraw/zinc/46/41/38/854464138.db2.gz RTSQWOYZTOCDMU-UHFFFAOYSA-N 1 0 404.489 4.123 20 30 HIEDRO CC(C)(C)Oc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301885489 854484057 /nfs/dbraw/zinc/48/40/57/854484057.db2.gz OSVNBQABDMDEAC-UHFFFAOYSA-N 1 0 408.502 4.356 20 30 HIEDRO COc1cccc([C@H]2[C@@H](Nc3nc(C(F)(F)F)ccc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000302050686 854522376 /nfs/dbraw/zinc/52/23/76/854522376.db2.gz ORCLPGZQDRXADM-HKUYNNGSSA-N 1 0 402.420 4.371 20 30 HIEDRO N#Cc1cnc2ccc(Cl)cc2c1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000302872883 854663367 /nfs/dbraw/zinc/66/33/67/854663367.db2.gz COLVNTMJWIKYGM-HXUWFJFHSA-N 1 0 406.917 4.329 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1 ZINC000303154241 854789739 /nfs/dbraw/zinc/78/97/39/854789739.db2.gz UAACLEGVTUPELW-UHFFFAOYSA-N 1 0 411.358 4.424 20 30 HIEDRO Cc1ccc(C[C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000303379778 854900939 /nfs/dbraw/zinc/90/09/39/854900939.db2.gz VNAVMNYOCDOZRJ-OAQYLSRUSA-N 1 0 404.558 4.024 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)CCc2ccc(Br)cc2)CC1 ZINC000303383920 854902428 /nfs/dbraw/zinc/90/24/28/854902428.db2.gz XXUXCRRWQCCDRN-MRXNPFEDSA-N 1 0 408.384 4.110 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)CCc2ccc(Br)cc2)CC1 ZINC000303383918 854902490 /nfs/dbraw/zinc/90/24/90/854902490.db2.gz XXUXCRRWQCCDRN-INIZCTEOSA-N 1 0 408.384 4.110 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1cccc(F)c1 ZINC000303588796 855062329 /nfs/dbraw/zinc/06/23/29/855062329.db2.gz GZQYPHGYRGJWNC-DEOSSOPVSA-N 1 0 417.484 4.309 20 30 HIEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303619482 855081820 /nfs/dbraw/zinc/08/18/20/855081820.db2.gz PJIPKCUQGOTKEZ-SQNIBIBYSA-N 1 0 402.970 4.125 20 30 HIEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303625265 855084966 /nfs/dbraw/zinc/08/49/66/855084966.db2.gz NTOWQVCKNCZNHY-NHCUHLMSSA-N 1 0 414.569 4.049 20 30 HIEDRO Cc1nc(-c2ccc(CCNC(=[NH2+])Nc3ccc4c(c3)OCCCO4)s2)cs1 ZINC000303772511 855188840 /nfs/dbraw/zinc/18/88/40/855188840.db2.gz DQRNKNKRJMXOQI-UHFFFAOYSA-N 1 0 414.556 4.311 20 30 HIEDRO COc1cccc([C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)N2CCCC2)c1 ZINC000303773129 855188875 /nfs/dbraw/zinc/18/88/75/855188875.db2.gz FBEWSSQLPBQDNO-LJQANCHMSA-N 1 0 422.451 4.158 20 30 HIEDRO C[C@H](NC(=[NH2+])NCC(=O)Nc1ccc(F)c(F)c1F)c1ccc(Cl)cc1Cl ZINC000303772878 855189034 /nfs/dbraw/zinc/18/90/34/855189034.db2.gz DUCWLXAAZMOCQO-QMMMGPOBSA-N 1 0 419.234 4.015 20 30 HIEDRO COc1ccc(OC)c(NC(=[NH2+])NCCc2ccc(-c3csc(C)n3)s2)c1 ZINC000303786335 855197816 /nfs/dbraw/zinc/19/78/16/855197816.db2.gz RFWWAGOALBQKAI-UHFFFAOYSA-N 1 0 402.545 4.167 20 30 HIEDRO CCN(CC)[C@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)c1ccccc1Cl ZINC000303791392 855200114 /nfs/dbraw/zinc/20/01/14/855200114.db2.gz XMWQFYKDAYWSEU-GOSISDBHSA-N 1 0 404.942 4.167 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCC2(c3ccc(Br)cc3)CCC2)cc1OC ZINC000303866420 855259764 /nfs/dbraw/zinc/25/97/64/855259764.db2.gz CITQCWXWVOILLG-UHFFFAOYSA-N 1 0 418.335 4.315 20 30 HIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2ccccc2S(=O)(=O)NC(C)(C)C)cc1 ZINC000303876684 855265414 /nfs/dbraw/zinc/26/54/14/855265414.db2.gz IDQXERYSXPBQSZ-INIZCTEOSA-N 1 0 416.591 4.204 20 30 HIEDRO CCc1cccc(NC(=[NH2+])NCc2ccccc2-c2ccc(Cn3cncn3)cc2)c1 ZINC000303892795 855273593 /nfs/dbraw/zinc/27/35/93/855273593.db2.gz RMHYVJVTNXAGJT-UHFFFAOYSA-N 1 0 410.525 4.483 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCc2cccc(NC(=O)C3CCCC3)c2)cc1Cl ZINC000303894761 855274681 /nfs/dbraw/zinc/27/46/81/855274681.db2.gz SUSMJSOOGUHJLQ-UHFFFAOYSA-N 1 0 400.910 4.404 20 30 HIEDRO [NH2+]=C(NCc1ccccc1COCc1ccccc1)Nc1ccc2c(c1)OCCCO2 ZINC000303910519 855284843 /nfs/dbraw/zinc/28/48/43/855284843.db2.gz ZACYYHIYZAPINM-UHFFFAOYSA-N 1 0 417.509 4.492 20 30 HIEDRO Cc1cc(Br)ccc1NC(=O)CCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000303968578 855328647 /nfs/dbraw/zinc/32/86/47/855328647.db2.gz AVVADKLUQHMGSN-UHFFFAOYSA-N 1 0 415.335 4.002 20 30 HIEDRO [NH2+]=C(NCc1ccc(Oc2cccc(F)c2)nc1)Nc1ccc2c(c1)OCCCO2 ZINC000303970499 855329405 /nfs/dbraw/zinc/32/94/05/855329405.db2.gz CQHSQRMNGQNOAO-UHFFFAOYSA-N 1 0 408.433 4.101 20 30 HIEDRO [NH2+]=C(NCCc1coc(-c2ccc(F)cc2)n1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303971869 855330822 /nfs/dbraw/zinc/33/08/22/855330822.db2.gz FGHUGXAQWFOPLD-UHFFFAOYSA-N 1 0 408.355 4.349 20 30 HIEDRO Cc1ccc(Br)cc1NC(=O)CCNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000303983260 855335822 /nfs/dbraw/zinc/33/58/22/855335822.db2.gz QZFDSEMLWHOGKR-UHFFFAOYSA-N 1 0 415.335 4.002 20 30 HIEDRO COc1ccc(CCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1OC(F)F ZINC000303987053 855336641 /nfs/dbraw/zinc/33/66/41/855336641.db2.gz VDNFSCWCOJWZJC-UHFFFAOYSA-N 1 0 419.350 4.165 20 30 HIEDRO COc1cc(OC)c(OC)cc1CNC(=[NH2+])Nc1cccc(Oc2ccccc2)c1 ZINC000304506574 855356600 /nfs/dbraw/zinc/35/66/00/855356600.db2.gz UVERHSYVUBCXDS-UHFFFAOYSA-N 1 0 407.470 4.432 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCC2(c3ccccc3Cl)CCOCC2)cc1Cl ZINC000304739202 855357578 /nfs/dbraw/zinc/35/75/78/855357578.db2.gz BCZBWIMWCHWOCX-UHFFFAOYSA-N 1 0 408.329 4.477 20 30 HIEDRO COc1ccccc1Oc1ccc(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)cc1 ZINC000304751662 855357670 /nfs/dbraw/zinc/35/76/70/855357670.db2.gz JOTUPEHBDCROBP-UHFFFAOYSA-N 1 0 407.470 4.432 20 30 HIEDRO Cc1ccc(C[NH+]=C(NCc2ccccc2CS(C)(=O)=O)Nc2ccccc2)cc1 ZINC000304761790 855357708 /nfs/dbraw/zinc/35/77/08/855357708.db2.gz UWFSYCASWYKTDN-UHFFFAOYSA-N 1 0 421.566 4.298 20 30 HIEDRO COCCCOc1cc(C)ccc1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000304942711 855358688 /nfs/dbraw/zinc/35/86/88/855358688.db2.gz OCXITKFDZUGXAC-UHFFFAOYSA-N 1 0 411.424 4.236 20 30 HIEDRO CN(C)c1cc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c2ccccc2n1 ZINC000304803644 855358745 /nfs/dbraw/zinc/35/87/45/855358745.db2.gz QDONZIZCIDKVNL-UHFFFAOYSA-N 1 0 403.408 4.126 20 30 HIEDRO CCOCCOc1cc(C)ccc1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000304937034 855359015 /nfs/dbraw/zinc/35/90/15/855359015.db2.gz JYPYYCSHIIBVSS-UHFFFAOYSA-N 1 0 411.424 4.236 20 30 HIEDRO COc1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1OC(F)F ZINC000305211640 855359556 /nfs/dbraw/zinc/35/95/56/855359556.db2.gz HENHUNOGRHTGGG-UHFFFAOYSA-N 1 0 405.323 4.122 20 30 HIEDRO [NH2+]=C(NCc1ccc(C(=O)N2CCCCC2)cc1)Nc1ccccc1OC(F)(F)F ZINC000305205871 855360103 /nfs/dbraw/zinc/36/01/03/855360103.db2.gz GGTZKBPQCUNFIS-UHFFFAOYSA-N 1 0 420.435 4.138 20 30 HIEDRO [NH2+]=C(NCC#Cc1ccc(C(F)(F)F)cc1)Nc1ccccc1OC(F)(F)F ZINC000305242999 855360784 /nfs/dbraw/zinc/36/07/84/855360784.db2.gz RYICGDDLEUBGGY-UHFFFAOYSA-N 1 0 401.310 4.382 20 30 HIEDRO [NH2+]=C(NCc1ccnc(OCc2ccccc2)c1)Nc1ccccc1OC(F)(F)F ZINC000305240304 855361079 /nfs/dbraw/zinc/36/10/79/855361079.db2.gz QXMPPJRMNPXZGY-UHFFFAOYSA-N 1 0 416.403 4.486 20 30 HIEDRO [NH2+]=C(NCCCc1nc(-c2ccc(F)cc2)no1)Nc1ccccc1OC(F)(F)F ZINC000305824267 855362014 /nfs/dbraw/zinc/36/20/14/855362014.db2.gz QJFNMBAKTDRTLL-UHFFFAOYSA-N 1 0 423.370 4.134 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000409523070 855522008 /nfs/dbraw/zinc/52/20/08/855522008.db2.gz RLVVAQOBOCCZSA-OAHLLOKOSA-N 1 0 412.347 4.018 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000409524412 855522638 /nfs/dbraw/zinc/52/26/38/855522638.db2.gz XYEQLGKTCOJYCC-UHFFFAOYSA-N 1 0 424.358 4.160 20 30 HIEDRO N#Cc1nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1C(F)(F)F ZINC000409728700 855623637 /nfs/dbraw/zinc/62/36/37/855623637.db2.gz QCGNGRGFTOCVEF-PXNSSMCTSA-N 1 0 400.448 4.463 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C#N)cc1Cl)c1cccc(OC)c1 ZINC000426135193 856130964 /nfs/dbraw/zinc/13/09/64/856130964.db2.gz ZVEXIINFSWFJRY-FQEVSTJZSA-N 1 0 400.910 4.425 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)CC1 ZINC000426361524 856259140 /nfs/dbraw/zinc/25/91/40/856259140.db2.gz MQZKCDYXTAIUFN-UHFFFAOYSA-N 1 0 403.979 4.087 20 30 HIEDRO Cc1sc(NC(=O)C[NH2+]C(C)(C)c2ccc(Br)cc2)c(C#N)c1C ZINC000426366651 856261916 /nfs/dbraw/zinc/26/19/16/856261916.db2.gz RUXQNZTXQMLIKB-UHFFFAOYSA-N 1 0 406.349 4.463 20 30 HIEDRO N#CCCCOc1cccc(C[N@H+](CCO)Cc2cc(Br)cs2)c1 ZINC000426377233 856265352 /nfs/dbraw/zinc/26/53/52/856265352.db2.gz HOHDYEHEYFXRMW-UHFFFAOYSA-N 1 0 409.349 4.188 20 30 HIEDRO C[C@@H]1C[C@@H](NC(=O)NCCSCc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000428258088 857129759 /nfs/dbraw/zinc/12/97/59/857129759.db2.gz DGJATRNFAJOECV-XXBNENTESA-N 1 0 422.598 4.144 20 30 HIEDRO C[C@H](CCNC(=O)c1cnn(CCC#N)c1-c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000428614234 857278405 /nfs/dbraw/zinc/27/84/05/857278405.db2.gz GADKYKVSJULXJU-HXUWFJFHSA-N 1 0 415.541 4.104 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C(C)C)[C@H](C)c1ccccc1 ZINC000428877334 857383105 /nfs/dbraw/zinc/38/31/05/857383105.db2.gz AHVZTASQNGFXCD-HXUWFJFHSA-N 1 0 410.562 4.423 20 30 HIEDRO CC(C)(CO)[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1 ZINC000429704836 857842746 /nfs/dbraw/zinc/84/27/46/857842746.db2.gz XMWRODDVIPUBCP-OAQYLSRUSA-N 1 0 411.571 4.177 20 30 HIEDRO C=C(C)COc1cccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000429759174 857875411 /nfs/dbraw/zinc/87/54/11/857875411.db2.gz SQYJJOIZZBLHTR-HSZRJFAPSA-N 1 0 409.530 4.054 20 30 HIEDRO CC(C)N1CC[C@H]([NH2+]CC(=O)Nc2sccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429775872 857880586 /nfs/dbraw/zinc/88/05/86/857880586.db2.gz QVFLYZSFGXISEZ-HKUYNNGSSA-N 1 0 420.941 4.164 20 30 HIEDRO CC(C)N1CC[C@H]([NH2+]CC(=O)Nc2sccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429775875 857880644 /nfs/dbraw/zinc/88/06/44/857880644.db2.gz QVFLYZSFGXISEZ-PKOBYXMFSA-N 1 0 420.941 4.164 20 30 HIEDRO C=CCn1c(SC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nnc1-c1ccco1 ZINC000430114262 858038214 /nfs/dbraw/zinc/03/82/14/858038214.db2.gz BXZZCSPKEVCGCW-LJQANCHMSA-N 1 0 410.543 4.107 20 30 HIEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000430182735 858070590 /nfs/dbraw/zinc/07/05/90/858070590.db2.gz ZFXLZRMTSVGOCE-GOSISDBHSA-N 1 0 413.403 4.015 20 30 HIEDRO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3ccc(-c4nc5ccccc5s4)o3)C2)nc1 ZINC000430186159 858072253 /nfs/dbraw/zinc/07/22/53/858072253.db2.gz KESHMRAGKXTJNE-KRWDZBQOSA-N 1 0 402.479 4.476 20 30 HIEDRO N#CCCn1ncc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1-c1ccccc1 ZINC000430307725 858116775 /nfs/dbraw/zinc/11/67/75/858116775.db2.gz RLRCCCRNGBJASI-UHFFFAOYSA-N 1 0 419.573 4.192 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)CC1 ZINC000430577786 858225462 /nfs/dbraw/zinc/22/54/62/858225462.db2.gz VGZQRTRZVLNVSW-LJQANCHMSA-N 1 0 424.358 4.475 20 30 HIEDRO Cc1nc(SCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C#N)c(C)c1C ZINC000430669628 858260414 /nfs/dbraw/zinc/26/04/14/858260414.db2.gz RNULXMQQRMNQLS-KKSFZXQISA-N 1 0 422.598 4.140 20 30 HIEDRO C=CCN1C(=O)N(C2CC[NH+](Cc3ccccc3C)CC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430750354 858288223 /nfs/dbraw/zinc/28/82/23/858288223.db2.gz ZCTZHKPPUWHZPJ-DEOSSOPVSA-N 1 0 417.553 4.021 20 30 HIEDRO C=CCN1C(=O)N(Cc2ccccc2C[NH+](CC)CC)C(=O)[C@H]1Cc1ccccc1 ZINC000430754103 858289861 /nfs/dbraw/zinc/28/98/61/858289861.db2.gz LKIZINJPLIOPLO-HSZRJFAPSA-N 1 0 405.542 4.090 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@H](c2ccccc2F)C1 ZINC000431060428 858427021 /nfs/dbraw/zinc/42/70/21/858427021.db2.gz YMEWLYDJUVNILY-LEWJYISDSA-N 1 0 408.521 4.107 20 30 HIEDRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)c(OC)c1 ZINC000433010765 859476008 /nfs/dbraw/zinc/47/60/08/859476008.db2.gz LRPBXXMFWYHCMY-PKTZIBPZSA-N 1 0 421.541 4.392 20 30 HIEDRO N#CCCC[C@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)c1ccccc1 ZINC000433022587 859484596 /nfs/dbraw/zinc/48/45/96/859484596.db2.gz WGIDYHJMVBTYOQ-IBGZPJMESA-N 1 0 421.360 4.248 20 30 HIEDRO N#CCCN(C(=O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCC1)c1cccc(Cl)c1 ZINC000433317124 859635398 /nfs/dbraw/zinc/63/53/98/859635398.db2.gz KCFUPPWILAJTNF-QFIPXVFZSA-N 1 0 411.933 4.080 20 30 HIEDRO CC1(C)[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]1OCc1ccccc1 ZINC000433317602 859635891 /nfs/dbraw/zinc/63/58/91/859635891.db2.gz DTAHDNCTYGFILK-DHIUTWEWSA-N 1 0 415.541 4.332 20 30 HIEDRO CC[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Oc1ccccc1Cl ZINC000433316310 859636228 /nfs/dbraw/zinc/63/62/28/859636228.db2.gz IESJCWDBWIDGGC-LJQANCHMSA-N 1 0 409.921 4.459 20 30 HIEDRO C[C@@H](c1ccccc1)N1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000433337453 859651926 /nfs/dbraw/zinc/65/19/26/859651926.db2.gz ZACMTZKXLYUWKM-FQEVSTJZSA-N 1 0 414.557 4.174 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000434868046 860528185 /nfs/dbraw/zinc/52/81/85/860528185.db2.gz KBRJTZGEUHBOMU-BLLLJJGKSA-N 1 0 409.433 4.017 20 30 HIEDRO COC(=O)[C@H](NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000434871030 860529407 /nfs/dbraw/zinc/52/94/07/860529407.db2.gz UVAZZMRFRNITBQ-YDIMBITNSA-N 1 0 405.542 4.040 20 30 HIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434980322 860583932 /nfs/dbraw/zinc/58/39/32/860583932.db2.gz CVWCIVDDCSTFTA-KSFYIVLOSA-N 1 0 409.921 4.378 20 30 HIEDRO C=CCC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000435097952 860641254 /nfs/dbraw/zinc/64/12/54/860641254.db2.gz WAXKZKCAOKIYKY-XMMPIXPASA-N 1 0 402.542 4.483 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)c(-c2ccncc2)n1 ZINC000435135218 860658158 /nfs/dbraw/zinc/65/81/58/860658158.db2.gz NFXHOLFXYYSXSQ-LJQANCHMSA-N 1 0 407.905 4.165 20 30 HIEDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000435135854 860658330 /nfs/dbraw/zinc/65/83/30/860658330.db2.gz VRFUSMVKKDWXIS-JOCHJYFZSA-N 1 0 417.513 4.213 20 30 HIEDRO N#CCCCn1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c2ccccc21 ZINC000435231439 860701698 /nfs/dbraw/zinc/70/16/98/860701698.db2.gz VZFAHSXVSJLQRY-UHFFFAOYSA-N 1 0 400.526 4.471 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cc1C#N ZINC000435544384 860858709 /nfs/dbraw/zinc/85/87/09/860858709.db2.gz DCIOGBXZLTYCFE-UHFFFAOYSA-N 1 0 410.493 4.271 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CC[C@@H](C(=O)N4CCCCC4)C3)c2)c1 ZINC000435730334 861013448 /nfs/dbraw/zinc/01/34/48/861013448.db2.gz FCDGPWMRUJYMAW-RPWUZVMVSA-N 1 0 417.553 4.408 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@@H]2Cc2ccccc2)c1C#N ZINC000437842420 863199249 /nfs/dbraw/zinc/19/92/49/863199249.db2.gz YFXPZUXLZGFHDJ-OAQYLSRUSA-N 1 0 416.525 4.264 20 30 HIEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000437897793 863269662 /nfs/dbraw/zinc/26/96/62/863269662.db2.gz RIMZQPURINGSQC-OAQYLSRUSA-N 1 0 406.530 4.280 20 30 HIEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccccc1Sc1ccccc1C#N ZINC000437949159 863323659 /nfs/dbraw/zinc/32/36/59/863323659.db2.gz CMGXCHAWUFGBRV-HMXCVIKNSA-N 1 0 421.566 4.033 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000437988467 863351900 /nfs/dbraw/zinc/35/19/00/863351900.db2.gz RMQKWTMYIQJBHW-WBVHZDCISA-N 1 0 406.477 4.278 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000438072345 863457373 /nfs/dbraw/zinc/45/73/73/863457373.db2.gz IYOXQZWPNJNQCW-KRWDZBQOSA-N 1 0 408.571 4.302 20 30 HIEDRO C=C(C)COc1cccc(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2OCC)c1 ZINC000438123036 863541632 /nfs/dbraw/zinc/54/16/32/863541632.db2.gz CPUUAGWWNKCRSW-UHFFFAOYSA-N 1 0 424.545 4.436 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000438445964 863871587 /nfs/dbraw/zinc/87/15/87/863871587.db2.gz DKROZNZHFHAUHC-DQEYMECFSA-N 1 0 421.585 4.311 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccccc2OCc2ccccn2)CC1 ZINC000438491815 863910651 /nfs/dbraw/zinc/91/06/51/863910651.db2.gz ISESWMCWZZGABK-UHFFFAOYSA-N 1 0 414.509 4.407 20 30 HIEDRO CC(C)C1CCC([NH+]2CCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)CC1 ZINC000438545181 863973615 /nfs/dbraw/zinc/97/36/15/863973615.db2.gz IDHBTDCSHRTCGN-UVKLAMSESA-N 1 0 410.606 4.154 20 30 HIEDRO CC(C)C1CCC([NH+]2CCN(CC(=O)Nc3ccccc3SCC#N)CC2)CC1 ZINC000438557727 863989587 /nfs/dbraw/zinc/98/95/87/863989587.db2.gz DSZNHRYALUXVSD-UHFFFAOYSA-N 1 0 414.619 4.073 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(CC(F)(F)F)c3)CC2)cc1 ZINC000438570439 864003977 /nfs/dbraw/zinc/00/39/77/864003977.db2.gz VZLCCYCCKHQDLO-UHFFFAOYSA-N 1 0 416.447 4.403 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438656801 864102381 /nfs/dbraw/zinc/10/23/81/864102381.db2.gz PIJFDOWLGWJSFW-UHFFFAOYSA-N 1 0 408.399 4.312 20 30 HIEDRO Fc1ccc(C#CC[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000438720273 864202398 /nfs/dbraw/zinc/20/23/98/864202398.db2.gz XCSFFIGXKUIJEN-INIZCTEOSA-N 1 0 402.395 4.118 20 30 HIEDRO N#CCC[C@H](NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000438859341 864352880 /nfs/dbraw/zinc/35/28/80/864352880.db2.gz BXWALLBQEJANKU-DEOSSOPVSA-N 1 0 404.558 4.382 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+](C)C2CCN(c3ccccc3)CC2)c1 ZINC000439012524 864463842 /nfs/dbraw/zinc/46/38/42/864463842.db2.gz XVSOTOOLFVHHQB-UHFFFAOYSA-N 1 0 404.558 4.151 20 30 HIEDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000439019924 864473408 /nfs/dbraw/zinc/47/34/08/864473408.db2.gz FPPGOZGZUBUQLF-XMMPIXPASA-N 1 0 421.541 4.063 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3ccccc3Br)CC2)CC1 ZINC000439123292 864558461 /nfs/dbraw/zinc/55/84/61/864558461.db2.gz JCXAGCPACUSQMG-UHFFFAOYSA-N 1 0 420.395 4.379 20 30 HIEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000439194884 864621278 /nfs/dbraw/zinc/62/12/78/864621278.db2.gz ZGIVZYZESHOLTG-CTUHWIOQSA-N 1 0 417.557 4.088 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)CN2CC[NH+](C3CCC(C(C)C)CC3)CC2)c1C ZINC000440329347 865605616 /nfs/dbraw/zinc/60/56/16/865605616.db2.gz VPRKVUQADSNFIV-UHFFFAOYSA-N 1 0 424.633 4.383 20 30 HIEDRO N#Cc1ccsc1C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000440426444 865725253 /nfs/dbraw/zinc/72/52/53/865725253.db2.gz BTJVPPOVJJWQRJ-INIZCTEOSA-N 1 0 407.461 4.146 20 30 HIEDRO N#CCc1cccc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000440435323 865736945 /nfs/dbraw/zinc/73/69/45/865736945.db2.gz ROKMOKBSEOLXBM-FQEVSTJZSA-N 1 0 415.459 4.279 20 30 HIEDRO N#Cc1ccc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1 ZINC000440437271 865739807 /nfs/dbraw/zinc/73/98/07/865739807.db2.gz HMPDUPYTHUMZQM-LJQANCHMSA-N 1 0 401.432 4.085 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)CN(C)C2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000440452904 865757369 /nfs/dbraw/zinc/75/73/69/865757369.db2.gz CGQYTZRJLYPQRO-UHFFFAOYSA-N 1 0 418.585 4.147 20 30 HIEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000440543402 865812432 /nfs/dbraw/zinc/81/24/32/865812432.db2.gz MOFPXBWXVZDWFX-DHLKQENFSA-N 1 0 419.569 4.332 20 30 HIEDRO C[C@@](C#N)(NC(=O)C[NH2+]C1(Cc2ccc(Br)cc2)CCCCC1)C1CC1 ZINC000440938836 866037356 /nfs/dbraw/zinc/03/73/56/866037356.db2.gz UKDOSDSLADQINP-FQEVSTJZSA-N 1 0 418.379 4.093 20 30 HIEDRO C[C@@H](O)C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441232714 866308424 /nfs/dbraw/zinc/30/84/24/866308424.db2.gz YTCOPNNFULZGEU-HZPDHXFCSA-N 1 0 410.905 4.076 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)cc1 ZINC000441469202 866546268 /nfs/dbraw/zinc/54/62/68/866546268.db2.gz DGCKLWXFLNVCIN-XMMPIXPASA-N 1 0 420.557 4.235 20 30 HIEDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cccc(Cl)c2)c1 ZINC000441480487 866559486 /nfs/dbraw/zinc/55/94/86/866559486.db2.gz YAFJZRHKQYKAPI-QFIPXVFZSA-N 1 0 410.949 4.490 20 30 HIEDRO CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000441548322 866624886 /nfs/dbraw/zinc/62/48/86/866624886.db2.gz YVMKQJJHNUIYOE-AVRDEDQJSA-N 1 0 401.514 4.266 20 30 HIEDRO CC1CC[NH+](CCc2cccc(NC(=O)C(=O)Nc3cc(C#N)ccc3Cl)c2)CC1 ZINC000442218482 867244878 /nfs/dbraw/zinc/24/48/78/867244878.db2.gz UNTNGYIAZDOZAJ-UHFFFAOYSA-N 1 0 424.932 4.063 20 30 HIEDRO C[N@H+](CCCSCC#N)Cc1cccc(Br)c1OC[C@@H]1CCCO1 ZINC000442893615 867725629 /nfs/dbraw/zinc/72/56/29/867725629.db2.gz TVROYWZFIRCNDZ-INIZCTEOSA-N 1 0 413.381 4.086 20 30 HIEDRO CC[C@]1(C)Oc2ccc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2O1 ZINC000443378729 867939702 /nfs/dbraw/zinc/93/97/02/867939702.db2.gz JXQLIPZYAUCDAT-HSZRJFAPSA-N 1 0 408.502 4.051 20 30 HIEDRO CC[C@@]1(C)Oc2ccc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2O1 ZINC000443378732 867940245 /nfs/dbraw/zinc/94/02/45/867940245.db2.gz JXQLIPZYAUCDAT-QHCPKHFHSA-N 1 0 408.502 4.051 20 30 HIEDRO COc1ccc([C@@H](CNc2c(C#N)cnc3c(F)cc(F)cc32)[NH+](C)C)cc1OC ZINC000443428493 868011330 /nfs/dbraw/zinc/01/13/30/868011330.db2.gz IWCCLXQNCKCOHV-GOSISDBHSA-N 1 0 412.440 4.117 20 30 HIEDRO N#Cc1nc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccc1C(F)(F)F ZINC000443507111 868073324 /nfs/dbraw/zinc/07/33/24/868073324.db2.gz FLXKEYQGEBNPIC-NRFANRHFSA-N 1 0 400.448 4.465 20 30 HIEDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@H](C)O1 ZINC000443661038 868266825 /nfs/dbraw/zinc/26/68/25/868266825.db2.gz ZZGUNGFSLPRCGQ-BGYRXZFFSA-N 1 0 421.541 4.164 20 30 HIEDRO Cc1ccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cc1S(C)(=O)=O ZINC000444005147 868526675 /nfs/dbraw/zinc/52/66/75/868526675.db2.gz VDNTWKACKUXEIP-UHFFFAOYSA-N 1 0 420.534 4.139 20 30 HIEDRO C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2cn(CCCC#N)c3ccccc23)cc1 ZINC000444045678 868583583 /nfs/dbraw/zinc/58/35/83/868583583.db2.gz OJPQWNDLAUZOMN-UHFFFAOYSA-N 1 0 417.513 4.088 20 30 HIEDRO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c2ccccc21 ZINC000444169978 868647434 /nfs/dbraw/zinc/64/74/34/868647434.db2.gz SHYGVHNAYDTGRE-OAQYLSRUSA-N 1 0 401.510 4.276 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@H+](C[C@@H]2CCCO2)C2CCCC2)sc2c1CCCC2 ZINC000444211800 868668366 /nfs/dbraw/zinc/66/83/66/868668366.db2.gz ISOZQHFHHCPMHZ-KRWDZBQOSA-N 1 0 401.576 4.251 20 30 HIEDRO COc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000444233983 868683208 /nfs/dbraw/zinc/68/32/08/868683208.db2.gz CBBWBAJAENXUMA-ZWKOTPCHSA-N 1 0 411.571 4.448 20 30 HIEDRO CCN(CC)C(=O)C1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444622043 868914619 /nfs/dbraw/zinc/91/46/19/868914619.db2.gz FBVKVOQQQSARIN-UHFFFAOYSA-N 1 0 403.570 4.467 20 30 HIEDRO CS[C@@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1[NH+]1CCCC1 ZINC000444684877 868958371 /nfs/dbraw/zinc/95/83/71/868958371.db2.gz LYXJMAZDKDLXAB-BJKOFHAPSA-N 1 0 405.611 4.398 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)NCC3CC[NH+](C4CC4)CC3)c2)cc1 ZINC000444850339 869053074 /nfs/dbraw/zinc/05/30/74/869053074.db2.gz OOIDLOXDGUUSCJ-UHFFFAOYSA-N 1 0 418.541 4.328 20 30 HIEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](CC(F)(F)F)C(C)C)c1C#N ZINC000445883760 869871857 /nfs/dbraw/zinc/87/18/57/869871857.db2.gz FUYDJRMWTVCGDF-GOSISDBHSA-N 1 0 406.452 4.471 20 30 HIEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H]1CCOc2ccc(Br)cc21 ZINC000445898000 869877080 /nfs/dbraw/zinc/87/70/80/869877080.db2.gz FFPDISBUEZCCGA-SFHVURJKSA-N 1 0 414.303 4.105 20 30 HIEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000445996521 869959454 /nfs/dbraw/zinc/95/94/54/869959454.db2.gz QSOGMIGHDAVDDR-UXHICEINSA-N 1 0 401.432 4.119 20 30 HIEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000446004924 869969657 /nfs/dbraw/zinc/96/96/57/869969657.db2.gz XCTWHHWTODJGRM-PMACEKPBSA-N 1 0 401.432 4.119 20 30 HIEDRO N#Cc1cccc(OCC[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)c1 ZINC000447320698 871212523 /nfs/dbraw/zinc/21/25/23/871212523.db2.gz FMDBAUVLHSNRGZ-UHFFFAOYSA-N 1 0 406.404 4.131 20 30 HIEDRO CC[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1ccc(C#N)cc1 ZINC000447526351 871390583 /nfs/dbraw/zinc/39/05/83/871390583.db2.gz CVYOTQRGUAHWNC-FQEVSTJZSA-N 1 0 414.347 4.410 20 30 HIEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000447580407 871480821 /nfs/dbraw/zinc/48/08/21/871480821.db2.gz QGLFYJXJOIMORM-UHFFFAOYSA-N 1 0 408.527 4.259 20 30 HIEDRO CN(CCN1CCOC(C)(C)C1)C(=O)c1ccccc1SCc1ccc(C#N)cc1 ZINC000447658877 871590360 /nfs/dbraw/zinc/59/03/60/871590360.db2.gz KWKDVQQDBNENNW-UHFFFAOYSA-N 1 0 423.582 4.033 20 30 HIEDRO CC[NH+](CC)[C@H](C(=O)NCCOc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000460282066 872871001 /nfs/dbraw/zinc/87/10/01/872871001.db2.gz OODAIQMCNYVUNI-FQEVSTJZSA-N 1 0 419.447 4.155 20 30 HIEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460378838 873018915 /nfs/dbraw/zinc/01/89/15/873018915.db2.gz ZVBMJWDGRFFMIY-QUCCMNQESA-N 1 0 404.562 4.378 20 30 HIEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460392332 873040274 /nfs/dbraw/zinc/04/02/74/873040274.db2.gz XVJDQJZGRBWPGJ-UHFFFAOYSA-N 1 0 409.578 4.026 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460556454 873275737 /nfs/dbraw/zinc/27/57/37/873275737.db2.gz HHGLUNQHNCUREY-APWZRJJASA-N 1 0 415.969 4.321 20 30 HIEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460784813 873642284 /nfs/dbraw/zinc/64/22/84/873642284.db2.gz TZXHEHHRDZEJKS-UHFFFAOYSA-N 1 0 409.578 4.196 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460791944 873656282 /nfs/dbraw/zinc/65/62/82/873656282.db2.gz HXQOHGXHLIBOQU-CEXWTWQISA-N 1 0 415.557 4.442 20 30 HIEDRO C=C(C)Cn1c(CCC(C)C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460795067 873664657 /nfs/dbraw/zinc/66/46/57/873664657.db2.gz RKJOOGUDGAUMSS-UHFFFAOYSA-N 1 0 406.578 4.027 20 30 HIEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460924045 873828992 /nfs/dbraw/zinc/82/89/92/873828992.db2.gz FOGOGWPNYZDHHJ-TZIWHRDSSA-N 1 0 404.562 4.339 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460953660 873851758 /nfs/dbraw/zinc/85/17/58/873851758.db2.gz ATPBXYFXDDGHSR-MALNDZBISA-N 1 0 423.605 4.408 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460963172 873860712 /nfs/dbraw/zinc/86/07/12/873860712.db2.gz XNSZZEBOLAGKJV-MJGOQNOKSA-N 1 0 415.969 4.150 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000461436315 874487864 /nfs/dbraw/zinc/48/78/64/874487864.db2.gz AYLCLFLTJHCYRC-HXUWFJFHSA-N 1 0 403.526 4.085 20 30 HIEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000461442127 874497273 /nfs/dbraw/zinc/49/72/73/874497273.db2.gz JDBPOWASDMFOLN-HXUWFJFHSA-N 1 0 403.526 4.085 20 30 HIEDRO N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)c2)cc1 ZINC000461444660 874500148 /nfs/dbraw/zinc/50/01/48/874500148.db2.gz QIAQDKPEGRKWIA-QFIPXVFZSA-N 1 0 403.526 4.085 20 30 HIEDRO C[NH+](C)CCn1ccc2ccc(NC(=O)CCCCOc3cccc(C#N)c3)cc21 ZINC000461459749 874520225 /nfs/dbraw/zinc/52/02/25/874520225.db2.gz GTZOJQRLLFDUSU-UHFFFAOYSA-N 1 0 404.514 4.262 20 30 HIEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)[C@@H](C)C1 ZINC000461482028 874542408 /nfs/dbraw/zinc/54/24/08/874542408.db2.gz BPRKXYRURUWFEG-LAUBAEHRSA-N 1 0 420.586 4.093 20 30 HIEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 ZINC000461732179 874878558 /nfs/dbraw/zinc/87/85/58/874878558.db2.gz YNCVACZRHNZZDD-UHFFFAOYSA-N 1 0 411.505 4.094 20 30 HIEDRO Cc1cc(NC(=O)[C@H](C)c2cccc(C#N)c2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000462246629 875363237 /nfs/dbraw/zinc/36/32/37/875363237.db2.gz LQYRHTGTMWUWCQ-AUSIDOKSSA-N 1 0 413.525 4.252 20 30 HIEDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000462247299 875364378 /nfs/dbraw/zinc/36/43/78/875364378.db2.gz NAVPFSQRXDAIQH-MRXNPFEDSA-N 1 0 403.448 4.271 20 30 HIEDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000462248235 875366092 /nfs/dbraw/zinc/36/60/92/875366092.db2.gz SGTKMPZCNWVNHE-MRXNPFEDSA-N 1 0 403.448 4.271 20 30 HIEDRO C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1)c1cccc(C#N)c1 ZINC000462413997 875521406 /nfs/dbraw/zinc/52/14/06/875521406.db2.gz YKWCAJZWIWSSQP-YMSRPXOMSA-N 1 0 409.533 4.446 20 30 HIEDRO CN(C)C1(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)Cc2ccccc2C1 ZINC000462728552 875804672 /nfs/dbraw/zinc/80/46/72/875804672.db2.gz URLCKMLXGONNQO-UHFFFAOYSA-N 1 0 411.549 4.326 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000462788370 875841436 /nfs/dbraw/zinc/84/14/36/875841436.db2.gz GUVWTOFJPCEDKO-QGZVFWFLSA-N 1 0 415.497 5.001 20 30 HIEDRO C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(OCC[NH+](C)C)c1 ZINC000469004443 883070599 /nfs/dbraw/zinc/07/05/99/883070599.db2.gz LMLJDGRKDNTMMF-LJQANCHMSA-N 1 0 420.557 4.383 20 30 HIEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000464326136 877515400 /nfs/dbraw/zinc/51/54/00/877515400.db2.gz DFTFYBKLOKBMOB-IBGZPJMESA-N 1 0 407.489 4.484 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1C ZINC000464331948 877523598 /nfs/dbraw/zinc/52/35/98/877523598.db2.gz JBJAYXFOWCLUAA-JOCHJYFZSA-N 1 0 419.573 4.075 20 30 HIEDRO O=c1ccccn1C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccccc1 ZINC000503266009 912246690 /nfs/dbraw/zinc/24/66/90/912246690.db2.gz FKSLSXDBCQDHHX-OAQYLSRUSA-N 1 0 412.411 4.130 20 30 HIEDRO C=CCc1cc(C(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000464954241 878292778 /nfs/dbraw/zinc/29/27/78/878292778.db2.gz XAQFFWIMLLIKKS-OAQYLSRUSA-N 1 0 422.569 4.417 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cc1C ZINC000465364759 878805248 /nfs/dbraw/zinc/80/52/48/878805248.db2.gz NSGCSMWXEUCPMS-YADHBBJMSA-N 1 0 419.573 4.168 20 30 HIEDRO Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000466187641 879882441 /nfs/dbraw/zinc/88/24/41/879882441.db2.gz HPKYIDKXUXUDRE-OAQYLSRUSA-N 1 0 404.558 4.024 20 30 HIEDRO C[NH+]1CCC(CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000503490676 912535386 /nfs/dbraw/zinc/53/53/86/912535386.db2.gz SGKKRWABEMWUPL-UHFFFAOYSA-N 1 0 410.493 4.130 20 30 HIEDRO COc1cc(C[NH2+]CCc2cccc(C#N)c2)cc(Br)c1OC(F)F ZINC000466426853 880200113 /nfs/dbraw/zinc/20/01/13/880200113.db2.gz YABZLEFCMHQXFC-UHFFFAOYSA-N 1 0 411.246 4.263 20 30 HIEDRO CCN(C(=O)Nc1ncccc1OCCCC#N)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000466606372 880376509 /nfs/dbraw/zinc/37/65/09/880376509.db2.gz HMLHVFPQEWVKCV-FPOVZHCZSA-N 1 0 421.545 4.453 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ncccc2OCCCC#N)cc1 ZINC000466628108 880400086 /nfs/dbraw/zinc/40/00/86/880400086.db2.gz OXQKBHFKBWWZMN-LJQANCHMSA-N 1 0 421.545 4.460 20 30 HIEDRO COc1ccc(C2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccccc3OC)CC2)cc1 ZINC000466746611 880528547 /nfs/dbraw/zinc/52/85/47/880528547.db2.gz VYVWIVSOKURSTI-LJQANCHMSA-N 1 0 421.541 4.219 20 30 HIEDRO CC[NH+](CC)CCOC1CCN(c2c(C#N)cnc3c(F)ccc(Cl)c32)CC1 ZINC000467015672 880818415 /nfs/dbraw/zinc/81/84/15/880818415.db2.gz UGESDBZKXLUDOH-UHFFFAOYSA-N 1 0 404.917 4.226 20 30 HIEDRO C[C@H]1C[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[N@@H+]1Cc1ccccc1 ZINC000467043886 880838633 /nfs/dbraw/zinc/83/86/33/880838633.db2.gz HFAQZTSHCNSGIY-GHTZIAJQSA-N 1 0 415.493 4.123 20 30 HIEDRO CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000467058738 880846118 /nfs/dbraw/zinc/84/61/18/880846118.db2.gz QYZRSNPFMHJJFM-DEOSSOPVSA-N 1 0 422.548 4.182 20 30 HIEDRO COCC[C@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000467281123 881027395 /nfs/dbraw/zinc/02/73/95/881027395.db2.gz UERBTQLTCZSPIM-DLBZAZTESA-N 1 0 403.592 4.354 20 30 HIEDRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CCc2cccc(C#N)c2)c2ccc(F)cc2)c1 ZINC000467438955 881240017 /nfs/dbraw/zinc/24/00/17/881240017.db2.gz JFNMIINYDWAVNW-QHCPKHFHSA-N 1 0 408.498 4.023 20 30 HIEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+][C@H](C)C(=O)NC1(C#N)CCC1 ZINC000469241146 883340759 /nfs/dbraw/zinc/34/07/59/883340759.db2.gz LTMZJYPYFCXQOP-TZMCWYRMSA-N 1 0 402.951 4.374 20 30 HIEDRO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3S[C@@H](C)CC#N)cc2)CC1 ZINC000469283626 883381224 /nfs/dbraw/zinc/38/12/24/883381224.db2.gz SYCXOUXJRYBZRH-SFHVURJKSA-N 1 0 408.571 4.475 20 30 HIEDRO N#CCCCN1C(=O)CCc2cc(N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)ccc21 ZINC000469291759 883388602 /nfs/dbraw/zinc/38/86/02/883388602.db2.gz VLLQBUDSUYWQCX-HSZRJFAPSA-N 1 0 402.542 4.346 20 30 HIEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000469616561 883836609 /nfs/dbraw/zinc/83/66/09/883836609.db2.gz AHGIJTDJTQPAIH-AWEZNQCLSA-N 1 0 410.345 4.035 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1c(F)c(F)cc(F)c1F)c1cccc(C(F)(F)F)c1 ZINC000469741448 883897689 /nfs/dbraw/zinc/89/76/89/883897689.db2.gz IHKKXDPZOVUCSJ-CYBMUJFWSA-N 1 0 408.317 4.295 20 30 HIEDRO Cc1ccc(-c2ncc(C[NH2+][C@H]3CCCN(c4ccc(C#N)cc4)C3=O)s2)cc1 ZINC000503951530 912880520 /nfs/dbraw/zinc/88/05/20/912880520.db2.gz KKERTDXMACBZKU-NRFANRHFSA-N 1 0 402.523 4.275 20 30 HIEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000471334092 885936040 /nfs/dbraw/zinc/93/60/40/885936040.db2.gz AHINXHJZEWRVER-JOCHJYFZSA-N 1 0 417.557 4.103 20 30 HIEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471381513 886028483 /nfs/dbraw/zinc/02/84/83/886028483.db2.gz LYNAIQXHEXQBNP-ZRZAMGCNSA-N 1 0 407.517 4.429 20 30 HIEDRO C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@H](c1ccccc1)[NH+](C)C ZINC000471578163 886290218 /nfs/dbraw/zinc/29/02/18/886290218.db2.gz OHMALFSLIASSNW-GAJHUEQPSA-N 1 0 403.482 4.151 20 30 HIEDRO C[C@H]([NH2+]C1(CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CCCC1)c1ccccc1 ZINC000472160428 886959131 /nfs/dbraw/zinc/95/91/31/886959131.db2.gz RFCHWGQBXSUXGJ-WMZHIEFXSA-N 1 0 400.526 4.020 20 30 HIEDRO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000472186009 886986189 /nfs/dbraw/zinc/98/61/89/886986189.db2.gz FHMMXPLFEAPJGS-DEOSSOPVSA-N 1 0 407.558 4.065 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)CCc2ccc(F)cc2)c1C#N ZINC000472433627 887281973 /nfs/dbraw/zinc/28/19/73/887281973.db2.gz OJBKIIXLOBGWPV-UHFFFAOYSA-N 1 0 422.504 4.260 20 30 HIEDRO N#CC(CC[N@@H+]1CCNC(=O)C[C@@H]1c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000472582197 887463901 /nfs/dbraw/zinc/46/39/01/887463901.db2.gz QDIXTKXZOFANAT-RUZDIDTESA-N 1 0 409.533 4.450 20 30 HIEDRO C=CCOc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1OC ZINC000473493900 888215382 /nfs/dbraw/zinc/21/53/82/888215382.db2.gz GCGWDVFEASIFGF-SANMLTNESA-N 1 0 420.553 4.388 20 30 HIEDRO N#Cc1ccc(CSCC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000473507684 888235243 /nfs/dbraw/zinc/23/52/43/888235243.db2.gz OJJONLMLJHAABX-VWLOTQADSA-N 1 0 419.594 4.306 20 30 HIEDRO C[C@@H](NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000473614802 888354615 /nfs/dbraw/zinc/35/46/15/888354615.db2.gz NIZGGMLJCKMUQF-CJFMBICVSA-N 1 0 402.542 4.317 20 30 HIEDRO CC[NH+]1CCN(c2cccc(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)c2)CC1 ZINC000473837986 888675768 /nfs/dbraw/zinc/67/57/68/888675768.db2.gz UVMXCJUWAIJFRT-UHFFFAOYSA-N 1 0 415.541 4.021 20 30 HIEDRO COC(=O)C[C@@](C)([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1ccncc1 ZINC000475103411 889952309 /nfs/dbraw/zinc/95/23/09/889952309.db2.gz XZHSUFSBLZBQFK-RUZDIDTESA-N 1 0 415.493 4.100 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000475367460 890296430 /nfs/dbraw/zinc/29/64/30/890296430.db2.gz WOXKKOOQGWGNOJ-UHFFFAOYSA-N 1 0 418.541 4.470 20 30 HIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@@H](N(C)Cc3noc(C)n3)CC2)cc1Cl ZINC000475630510 890571107 /nfs/dbraw/zinc/57/11/07/890571107.db2.gz GFQOSINWXAIJQS-GOSISDBHSA-N 1 0 404.942 4.083 20 30 HIEDRO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cc2cccc(F)c2o1 ZINC000475715582 890653844 /nfs/dbraw/zinc/65/38/44/890653844.db2.gz FCXBWGWKBXKSAQ-AWEZNQCLSA-N 1 0 418.390 4.409 20 30 HIEDRO N#CC[C@H](CC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000475758342 890705426 /nfs/dbraw/zinc/70/54/26/890705426.db2.gz LXDKGVXDDHQYMG-OAQYLSRUSA-N 1 0 424.976 4.056 20 30 HIEDRO CC(C)(C#N)c1ccc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000476431055 891343119 /nfs/dbraw/zinc/34/31/19/891343119.db2.gz RTKNDTKRTUTVMS-JOCHJYFZSA-N 1 0 413.525 4.384 20 30 HIEDRO N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000476443442 891355901 /nfs/dbraw/zinc/35/59/01/891355901.db2.gz OZLFODKGHNZLSA-HXUWFJFHSA-N 1 0 421.566 4.036 20 30 HIEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@@H](C)C1 ZINC000476809682 891796402 /nfs/dbraw/zinc/79/64/02/891796402.db2.gz UNVGPRUVDIXNPI-JTSKRJEESA-N 1 0 419.529 4.005 20 30 HIEDRO N#Cc1cccc(C2(NC(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)CC2)c1 ZINC000476859586 891825995 /nfs/dbraw/zinc/82/59/95/891825995.db2.gz YBYNPUUODVGFTL-UHFFFAOYSA-N 1 0 408.933 4.165 20 30 HIEDRO C=C(C)[C@H](NC(=O)NCc1ccccc1OCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000476982919 891908323 /nfs/dbraw/zinc/90/83/23/891908323.db2.gz HZJPQUFYKVRWSW-NRFANRHFSA-N 1 0 403.473 4.022 20 30 HIEDRO C=C(C)[C@H](NC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)c1ccc(F)c(F)c1 ZINC000477721988 892826310 /nfs/dbraw/zinc/82/63/10/892826310.db2.gz KBKQSAZGYKLAJI-HOIFWPIMSA-N 1 0 421.532 4.113 20 30 HIEDRO C=C(C)[C@@H](NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(F)c(F)c1 ZINC000477721989 892826541 /nfs/dbraw/zinc/82/65/41/892826541.db2.gz KBKQSAZGYKLAJI-HYFFOGBASA-N 1 0 421.532 4.113 20 30 HIEDRO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000477759379 892848707 /nfs/dbraw/zinc/84/87/07/892848707.db2.gz BPCJUARGDJTCIK-LJQANCHMSA-N 1 0 406.461 4.396 20 30 HIEDRO COc1cccc([C@@H]2[C@H]([NH2+]Cc3cccc(OCCCC#N)c3)CCN2C2CC2)c1 ZINC000478177865 893342379 /nfs/dbraw/zinc/34/23/79/893342379.db2.gz MUFIRLANVVXXSW-JWQCQUIFSA-N 1 0 405.542 4.445 20 30 HIEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000479001841 894271142 /nfs/dbraw/zinc/27/11/42/894271142.db2.gz ZGCMNPBTHCTEMV-OAQYLSRUSA-N 1 0 419.525 4.068 20 30 HIEDRO C[C@@H](CSCc1ccccc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479218176 894481993 /nfs/dbraw/zinc/48/19/93/894481993.db2.gz PSFZJZKBBXIUMN-FQEVSTJZSA-N 1 0 407.583 4.230 20 30 HIEDRO CC(C)(C)c1ccccc1OCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479222162 894484469 /nfs/dbraw/zinc/48/44/69/894484469.db2.gz UXOKTSSKNUMWNH-UHFFFAOYSA-N 1 0 405.542 4.037 20 30 HIEDRO N#CC1(NC(=O)Cc2c[nH]c3ccc(Cl)cc23)CC[NH+](Cc2ccccc2)CC1 ZINC000479249566 894514886 /nfs/dbraw/zinc/51/48/86/894514886.db2.gz RQJGZRZCQOQUDP-UHFFFAOYSA-N 1 0 406.917 4.038 20 30 HIEDRO C[C@@H](CSc1ccc(F)cc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479316791 894605103 /nfs/dbraw/zinc/60/51/03/894605103.db2.gz RFAGWVDNKLQHHD-SFHVURJKSA-N 1 0 411.546 4.228 20 30 HIEDRO N#Cc1ccccc1Sc1ccc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000479675263 894955958 /nfs/dbraw/zinc/95/59/58/894955958.db2.gz JXYAEVYUSUYXLR-UHFFFAOYSA-N 1 0 421.566 4.084 20 30 HIEDRO Cn1cc(C[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000479930371 895280139 /nfs/dbraw/zinc/28/01/39/895280139.db2.gz VYXAHSNXLAOGQN-LJQANCHMSA-N 1 0 405.571 4.022 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(C)onc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000480145682 895528323 /nfs/dbraw/zinc/52/83/23/895528323.db2.gz HOIPABMMPVDMPT-UHFFFAOYSA-N 1 0 407.436 4.439 20 30 HIEDRO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000480322663 895725165 /nfs/dbraw/zinc/72/51/65/895725165.db2.gz YWEAEJYARZEROH-UHFFFAOYSA-N 1 0 414.941 4.127 20 30 HIEDRO COc1cccc([C@H](CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)[NH+](C)C)c1 ZINC000480370525 895778546 /nfs/dbraw/zinc/77/85/46/895778546.db2.gz YRPCXGDUHCAKHS-QHCPKHFHSA-N 1 0 408.546 4.037 20 30 HIEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000480831369 896205708 /nfs/dbraw/zinc/20/57/08/896205708.db2.gz WIHXCHIMIXMEMV-GOSISDBHSA-N 1 0 411.571 4.410 20 30 HIEDRO C[C@H]1C[NH+](CCC2CCN(Cc3ccc(C#N)cc3Br)CC2)C[C@H](C)O1 ZINC000481032911 896360981 /nfs/dbraw/zinc/36/09/81/896360981.db2.gz JFEOFLPXDNZQPF-IRXDYDNUSA-N 1 0 420.395 4.032 20 30 HIEDRO C=C(C)[C@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(F)c(F)c1 ZINC000481615563 896997593 /nfs/dbraw/zinc/99/75/93/896997593.db2.gz SURJWBBIDWVDEQ-IBGZPJMESA-N 1 0 403.385 4.078 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2F)c1 ZINC000481620069 897002584 /nfs/dbraw/zinc/00/25/84/897002584.db2.gz CIHLHJBVRCWVRY-UXHICEINSA-N 1 0 408.477 4.025 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)N[C@@H](c1cccc2ccccc21)C(F)(F)F ZINC000482455444 898024561 /nfs/dbraw/zinc/02/45/61/898024561.db2.gz QHWDZOOJYGYLRW-IBGZPJMESA-N 1 0 406.452 4.320 20 30 HIEDRO N#CC1(NC(=O)CSc2nccc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000482703362 898303859 /nfs/dbraw/zinc/30/38/59/898303859.db2.gz BPUBXDZFVIIILG-UHFFFAOYSA-N 1 0 416.550 4.001 20 30 HIEDRO CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CSc1ccc(C#N)cc1 ZINC000482866722 898479117 /nfs/dbraw/zinc/47/91/17/898479117.db2.gz HBCZHRWXVRBGEG-QFIPXVFZSA-N 1 0 407.583 4.240 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cnn(Cc2ccccc2)c1 ZINC000482887945 898504292 /nfs/dbraw/zinc/50/42/92/898504292.db2.gz LRMMZTXEHMGYSY-AVRDEDQJSA-N 1 0 403.505 4.262 20 30 HIEDRO N#Cc1ccccc1Oc1ccc(C(=O)N2CCN[C@@H](c3ccncc3)C2)cc1Cl ZINC000505566246 914270907 /nfs/dbraw/zinc/27/09/07/914270907.db2.gz OEVORINQGFCXCY-HXUWFJFHSA-N 1 0 418.884 4.186 20 30 HIEDRO CC(C)C[C@@](C)([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(Br)c1 ZINC000483058163 898731952 /nfs/dbraw/zinc/73/19/52/898731952.db2.gz IXTQBCHQCHVOHV-UXHICEINSA-N 1 0 406.368 4.108 20 30 HIEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC[C@H]21 ZINC000483230955 898874286 /nfs/dbraw/zinc/87/42/86/898874286.db2.gz QPVXJTRGOQZEKF-FXAWDEMLSA-N 1 0 408.477 4.438 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000505620608 914322469 /nfs/dbraw/zinc/32/24/69/914322469.db2.gz KRIMBCYFGSZDQS-GHTZIAJQSA-N 1 0 411.571 4.005 20 30 HIEDRO CCc1ccc(-c2noc([C@@H](C)NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000483645276 899301404 /nfs/dbraw/zinc/30/14/04/899301404.db2.gz GLRBBUWXFDANFZ-GOSISDBHSA-N 1 0 415.541 4.486 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000483682316 899342002 /nfs/dbraw/zinc/34/20/02/899342002.db2.gz ORFMQTIHRMXGET-DEOSSOPVSA-N 1 0 402.542 4.166 20 30 HIEDRO C=CCN(CC1CCCCC1)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000483910807 899578448 /nfs/dbraw/zinc/57/84/48/899578448.db2.gz FVZQVJYRKFKTDH-FQEVSTJZSA-N 1 0 403.567 4.084 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000484049772 899682481 /nfs/dbraw/zinc/68/24/81/899682481.db2.gz SXMQXEWOIWILMF-RBUKOAKNSA-N 1 0 410.484 4.000 20 30 HIEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H]2CCCc3c(O)cccc32)c1C#N ZINC000484327592 899881897 /nfs/dbraw/zinc/88/18/97/899881897.db2.gz OPRHUQPCICVNBT-JOCHJYFZSA-N 1 0 414.509 4.277 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@@H](c3ccccc3)C(F)(F)F)CC2)cc1 ZINC000484938983 900309457 /nfs/dbraw/zinc/30/94/57/900309457.db2.gz ZEOVJTUFVXPLFP-NRFANRHFSA-N 1 0 415.459 4.329 20 30 HIEDRO C=CCn1c(C)cc(C(=O)C[N@@H+](CCC)C2CCN(C(=O)c3ccccc3)CC2)c1C ZINC000485038941 900376677 /nfs/dbraw/zinc/37/66/77/900376677.db2.gz FWEJLLHZAGKMFV-UHFFFAOYSA-N 1 0 421.585 4.490 20 30 HIEDRO C=CCN(CC=C)C(=O)C[NH+]1CCC(c2nc(-c3ccccc3OC)cs2)CC1 ZINC000485109003 900416258 /nfs/dbraw/zinc/41/62/58/900416258.db2.gz STMJMXLKYHEYBE-UHFFFAOYSA-N 1 0 411.571 4.199 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)[C@H](C)Cc2ccc(O)cc2)c1C#N ZINC000485210376 900499796 /nfs/dbraw/zinc/49/97/96/900499796.db2.gz QZPMIJCSHXTFMB-MRXNPFEDSA-N 1 0 408.546 4.299 20 30 HIEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485306406 900584959 /nfs/dbraw/zinc/58/49/59/900584959.db2.gz RECGSRSEDPTCLK-REWPJTCUSA-N 1 0 422.960 4.137 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(F)(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000485334602 900620868 /nfs/dbraw/zinc/62/08/68/900620868.db2.gz XPUODOQGDNHKME-QGZVFWFLSA-N 1 0 414.447 4.126 20 30 HIEDRO Cc1sc(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000485337788 900626312 /nfs/dbraw/zinc/62/63/12/900626312.db2.gz PHHAGWIDNIPDOR-RBBKRZOGSA-N 1 0 422.598 4.162 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]CC3(c4ccccc4Cl)CCOCC3)C2=O)cc1 ZINC000485344372 900635230 /nfs/dbraw/zinc/63/52/30/900635230.db2.gz IEMGKQQYZRCCBW-JOCHJYFZSA-N 1 0 423.944 4.045 20 30 HIEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000485504141 900792042 /nfs/dbraw/zinc/79/20/42/900792042.db2.gz LOMMSRWQOHFHDM-YLJYHZDGSA-N 1 0 420.561 4.132 20 30 HIEDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000485771171 901027786 /nfs/dbraw/zinc/02/77/86/901027786.db2.gz PWCPNZIQFJUCQC-LSTHTHJFSA-N 1 0 403.592 4.402 20 30 HIEDRO C[NH+]1CCC(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3C(F)(F)F)s2)CC1 ZINC000485805625 901054770 /nfs/dbraw/zinc/05/47/70/901054770.db2.gz MADVUJURVXPMRJ-UHFFFAOYSA-N 1 0 422.476 4.295 20 30 HIEDRO C[C@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1c[nH]c2ccccc21 ZINC000486117545 901303506 /nfs/dbraw/zinc/30/35/06/901303506.db2.gz HXWWTASMETWZSV-LJQANCHMSA-N 1 0 400.526 4.336 20 30 HIEDRO C=CCSc1ccccc1C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000486243451 901425699 /nfs/dbraw/zinc/42/56/99/901425699.db2.gz QQBDVDPQDDLXAG-QGZVFWFLSA-N 1 0 413.562 4.347 20 30 HIEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)Cc2c(F)cccc2C#N)cc1 ZINC000505928914 914578861 /nfs/dbraw/zinc/57/88/61/914578861.db2.gz WPCFSKNMVWYRBG-UHFFFAOYSA-N 1 0 401.485 4.285 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc3cc(Br)cnc32)CC1 ZINC000486906710 901953647 /nfs/dbraw/zinc/95/36/47/901953647.db2.gz HELVEYRVFOVTJS-UHFFFAOYSA-N 1 0 403.324 4.159 20 30 HIEDRO C[N@@H+](Cc1ccccc1C(C)(C)C#N)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000487381739 902172220 /nfs/dbraw/zinc/17/22/20/902172220.db2.gz UMZHHSAXNOXUKA-KRWDZBQOSA-N 1 0 406.448 4.378 20 30 HIEDRO N#Cc1ccc(NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1Br ZINC000487838912 902399042 /nfs/dbraw/zinc/39/90/42/902399042.db2.gz OAOVSAAPCMKLCN-MRXNPFEDSA-N 1 0 419.348 4.341 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487937328 902467890 /nfs/dbraw/zinc/46/78/90/902467890.db2.gz XJDZCQKZXSCALT-JKSUJKDBSA-N 1 0 419.367 4.439 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(Oc2cccnc2)cc1 ZINC000487960452 902485597 /nfs/dbraw/zinc/48/55/97/902485597.db2.gz USIQEZMNOHYSGA-FOIQADDNSA-N 1 0 404.495 4.263 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(Oc2cccnc2)cc1 ZINC000487960454 902486052 /nfs/dbraw/zinc/48/60/52/902486052.db2.gz USIQEZMNOHYSGA-MGPUTAFESA-N 1 0 404.495 4.263 20 30 HIEDRO C[NH+](C)CCCOc1ccc(CNc2c(C#N)cnc3c(F)ccc(Cl)c32)cc1 ZINC000487980078 902502328 /nfs/dbraw/zinc/50/23/28/902502328.db2.gz RLYJSWCNRIQFLM-UHFFFAOYSA-N 1 0 412.896 4.263 20 30 HIEDRO CCC1CCC([N@H+](CCO)CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000488243679 902718151 /nfs/dbraw/zinc/71/81/51/902718151.db2.gz NLUHWADWUZUYFE-LMDPOFIKSA-N 1 0 403.592 4.140 20 30 HIEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000488344704 902777601 /nfs/dbraw/zinc/77/76/01/902777601.db2.gz IDYOBLHDLUOZDT-GOSISDBHSA-N 1 0 420.513 4.068 20 30 HIEDRO CC[C@@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488471582 902842250 /nfs/dbraw/zinc/84/22/50/902842250.db2.gz CNWKWNIEQIPWSV-PZJWPPBQSA-N 1 0 413.974 4.473 20 30 HIEDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2cccc(Br)c21 ZINC000488489074 902851588 /nfs/dbraw/zinc/85/15/88/902851588.db2.gz AEAOQAQPVNBQLI-JSNMRZPZSA-N 1 0 424.342 4.260 20 30 HIEDRO C=CC[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1)c1ccccc1 ZINC000489015854 903121807 /nfs/dbraw/zinc/12/18/07/903121807.db2.gz PZQCVCUWNSEZBZ-GOTSBHOMSA-N 1 0 405.542 4.151 20 30 HIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000489866794 903638506 /nfs/dbraw/zinc/63/85/06/903638506.db2.gz SJAMSVIJTNSDNF-WMLDXEAASA-N 1 0 413.319 4.127 20 30 HIEDRO C[NH+]1CCC(n2ccc(NC(=O)NCc3ccc(-c4ccccc4C#N)cc3)n2)CC1 ZINC000491376751 904565475 /nfs/dbraw/zinc/56/54/75/904565475.db2.gz RSZQGLCEDXFAGV-UHFFFAOYSA-N 1 0 414.513 4.010 20 30 HIEDRO C[C@H]1C[C@@H](CCNC(=O)NC2(c3cccc(C#N)c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512393011 921128633 /nfs/dbraw/zinc/12/86/33/921128633.db2.gz NBUFMPRBMUBJFL-SIKLNZKXSA-N 1 0 402.542 4.147 20 30 HIEDRO CC(=O)N1CC[C@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)c2ccccc2C1 ZINC000494066320 905401261 /nfs/dbraw/zinc/40/12/61/905401261.db2.gz OEADMXNAQXNLDM-IWAAJCSBSA-N 1 0 403.526 4.331 20 30 HIEDRO Cc1cc(Br)cc2c1[C@@H]([NH2+][C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 ZINC000494481414 905764203 /nfs/dbraw/zinc/76/42/03/905764203.db2.gz GNMGQWCIHNOSQN-VQTJNVASSA-N 1 0 424.342 4.007 20 30 HIEDRO CC[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000495051478 906205669 /nfs/dbraw/zinc/20/56/69/906205669.db2.gz VXWBKMDVEXZPDW-MOPGFXCFSA-N 1 0 412.578 4.011 20 30 HIEDRO N#Cc1csc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)c1 ZINC000512563047 921238957 /nfs/dbraw/zinc/23/89/57/921238957.db2.gz BVKAUNAFJKDQNE-UHFFFAOYSA-N 1 0 404.333 4.233 20 30 HIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)cc1 ZINC000512571562 921243245 /nfs/dbraw/zinc/24/32/45/921243245.db2.gz CCOHCWLMGADBMM-UHFFFAOYSA-N 1 0 417.347 4.140 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCOCC1)C(C)C ZINC000496028822 906600116 /nfs/dbraw/zinc/60/01/16/906600116.db2.gz OAOWKKFLBKERED-OAQYLSRUSA-N 1 0 404.982 4.203 20 30 HIEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccco1 ZINC000496247905 906637708 /nfs/dbraw/zinc/63/77/08/906637708.db2.gz UPRWULIPEQRBIO-GHOZHQTGSA-N 1 0 424.545 4.270 20 30 HIEDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)c1ccc(C#N)cc1F ZINC000512622980 921265696 /nfs/dbraw/zinc/26/56/96/921265696.db2.gz DBBWXGYEWTZXRH-ZDUSSCGKSA-N 1 0 404.283 4.448 20 30 HIEDRO N#CC1CCC(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CC1 ZINC000512640661 921270589 /nfs/dbraw/zinc/27/05/89/921270589.db2.gz ZGRPEJSGTKLIMI-JNNLDFGZSA-N 1 0 416.569 4.284 20 30 HIEDRO C[N@@H+]1C[C@@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@@H](c2ccccc2)C1 ZINC000497403913 906882559 /nfs/dbraw/zinc/88/25/59/906882559.db2.gz NSENFXGYAIAVKW-JWQCQUIFSA-N 1 0 411.505 4.373 20 30 HIEDRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH+]2CCC(C#N)CC2)cc1OC ZINC000512694683 921290429 /nfs/dbraw/zinc/29/04/29/921290429.db2.gz WZLJZBWMLJQIFT-UHFFFAOYSA-N 1 0 416.525 4.351 20 30 HIEDRO CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593790 907073649 /nfs/dbraw/zinc/07/36/49/907073649.db2.gz JTOKKQIOJJIRNY-AVRDEDQJSA-N 1 0 421.541 4.322 20 30 HIEDRO CC(C)Oc1ccc([C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[NH+](C)C)cc1 ZINC000512801869 921314063 /nfs/dbraw/zinc/31/40/63/921314063.db2.gz IOGYVUNEBIBAKX-XMMPIXPASA-N 1 0 420.557 4.322 20 30 HIEDRO C[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512853279 921358733 /nfs/dbraw/zinc/35/87/33/921358733.db2.gz VSUWKJZGHSSWSX-PZJWPPBQSA-N 1 0 402.542 4.256 20 30 HIEDRO C=CCOc1cccc(NC(=O)N[C@H]2CC[N@H+](C3CC3)[C@@H]2c2cccc(OC)c2)c1 ZINC000498392760 907876589 /nfs/dbraw/zinc/87/65/89/907876589.db2.gz UNAOMRXUCKNFPU-XZOQPEGZSA-N 1 0 407.514 4.360 20 30 HIEDRO COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc(C#N)c(Cl)c3)CC[N@@H+]2C2CC2)c1 ZINC000498531048 908000986 /nfs/dbraw/zinc/00/09/86/908000986.db2.gz YUJOJGSCHXDHDH-RTWAWAEBSA-N 1 0 410.905 4.320 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498703824 908128666 /nfs/dbraw/zinc/12/86/66/908128666.db2.gz LQXGVMNXGGJHHW-YKSBVNFPSA-N 1 0 402.542 4.166 20 30 HIEDRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000499056173 908427321 /nfs/dbraw/zinc/42/73/21/908427321.db2.gz OGALRQDRIJIRCF-MRXNPFEDSA-N 1 0 401.963 4.283 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000499194577 908548382 /nfs/dbraw/zinc/54/83/82/908548382.db2.gz PLFUBALSEHLXJN-OFNKIYASSA-N 1 0 409.578 4.215 20 30 HIEDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C[C@H]1C ZINC000499564676 908841659 /nfs/dbraw/zinc/84/16/59/908841659.db2.gz SXOOGHHVCJBNPF-MOPGFXCFSA-N 1 0 406.530 4.392 20 30 HIEDRO N#CC1(CCC[N@H+]2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)CCOCC1 ZINC000499564870 908841918 /nfs/dbraw/zinc/84/19/18/908841918.db2.gz QHGQDIMRYKIKMG-QHCPKHFHSA-N 1 0 405.542 4.135 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@H](C)C(=O)Nc2nnc(CC)s2)cc1Cl ZINC000513047247 921505535 /nfs/dbraw/zinc/50/55/35/921505535.db2.gz QJCKSNFUTRSANL-QWHCGFSZSA-N 1 0 408.955 4.072 20 30 HIEDRO COc1cccc(C2(F)CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000500138361 909616118 /nfs/dbraw/zinc/61/61/18/909616118.db2.gz KNNDKNXRUGLVDT-UHFFFAOYSA-N 1 0 404.489 4.428 20 30 HIEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N(C)Cc3cccc(C#N)c3)cc2)C1 ZINC000500641842 909986995 /nfs/dbraw/zinc/98/69/95/909986995.db2.gz KBMDXLGLUGQNDZ-BGYRXZFFSA-N 1 0 404.558 4.378 20 30 HIEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000500970935 910212560 /nfs/dbraw/zinc/21/25/60/910212560.db2.gz LNLCKWXRZUDOSM-QHCPKHFHSA-N 1 0 406.530 4.136 20 30 HIEDRO CSc1ccc([C@H](CNC(=O)c2ccc(C#N)[nH]2)N2CCc3sccc3C2)cc1 ZINC000501758993 910815155 /nfs/dbraw/zinc/81/51/55/910815155.db2.gz LWILZSDOESMTRI-FQEVSTJZSA-N 1 0 422.579 4.199 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502190259 911127842 /nfs/dbraw/zinc/12/78/42/911127842.db2.gz UKFFEVBXILHGBA-NLFFAJNJSA-N 1 0 414.553 4.268 20 30 HIEDRO CC(C)(CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000502279060 911228914 /nfs/dbraw/zinc/22/89/14/911228914.db2.gz UHMZGBITGCNOLS-UHFFFAOYSA-N 1 0 414.553 4.194 20 30 HIEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502305554 911269611 /nfs/dbraw/zinc/26/96/11/911269611.db2.gz UZPCEHZTJWTXBA-UHFFFAOYSA-N 1 0 402.542 4.397 20 30 HIEDRO N#Cc1cccc(OCc2ccoc2C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000513261254 921666095 /nfs/dbraw/zinc/66/60/95/921666095.db2.gz JIDIQKWDBUQUAE-QFIPXVFZSA-N 1 0 415.493 4.125 20 30 HIEDRO N#CCCN(C(=O)CN1CC=C(c2ccc(C#N)cc2)CC1)c1cccc(Cl)c1 ZINC000502505021 911508354 /nfs/dbraw/zinc/50/83/54/911508354.db2.gz AOSAZBBHZSZABC-UHFFFAOYSA-N 1 0 404.901 4.248 20 30 HIEDRO C/C=C\c1ccc(OC[C@@H](O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000502507462 911511766 /nfs/dbraw/zinc/51/17/66/911511766.db2.gz OEFJWEZYFJQDEO-XXGSHBOYSA-N 1 0 404.510 4.129 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2OC(F)F)c1C#N ZINC000502563901 911570571 /nfs/dbraw/zinc/57/05/71/911570571.db2.gz SNTGCSUHXRNEMS-QZTJIDSGSA-N 1 0 408.493 4.170 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH2+][C@H]2CCCC23CCOCC3)sc2c1CCCCC2 ZINC000502839019 911851803 /nfs/dbraw/zinc/85/18/03/911851803.db2.gz CUOCGNZBMBEMGT-IBGZPJMESA-N 1 0 401.576 4.156 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc(Cl)c4c(c3)OCCCO4)CC2)cc1 ZINC000506279664 914880262 /nfs/dbraw/zinc/88/02/62/914880262.db2.gz LCQAOEGFVQVHGM-UHFFFAOYSA-N 1 0 411.933 4.081 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@H+](C[C@@H]2CCOC2)C2CC2)cc1OCC ZINC000506541619 915186341 /nfs/dbraw/zinc/18/63/41/915186341.db2.gz QWGLTDULZOVBAK-HNNXBMFYSA-N 1 0 410.352 4.414 20 30 HIEDRO COc1ccccc1O[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000513406267 921774708 /nfs/dbraw/zinc/77/47/08/921774708.db2.gz OUTBHNCUDUUJCK-OAQYLSRUSA-N 1 0 402.498 4.011 20 30 HIEDRO C[NH+]1CCC(C)(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000506919769 915721230 /nfs/dbraw/zinc/72/12/30/915721230.db2.gz XDFCZWXFKWFWSE-UHFFFAOYSA-N 1 0 410.493 4.130 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000507218573 915970825 /nfs/dbraw/zinc/97/08/25/915970825.db2.gz LGTYELXOWRXXGW-IBGZPJMESA-N 1 0 423.532 4.424 20 30 HIEDRO C=CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000507256453 916017004 /nfs/dbraw/zinc/01/70/04/916017004.db2.gz CUWLNBMZENPHQT-JWQCQUIFSA-N 1 0 418.581 4.391 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)CN(C)C[C@H]2OCCc3ccccc32)ccc1Cl ZINC000507274142 916037005 /nfs/dbraw/zinc/03/70/05/916037005.db2.gz NBQHCUVXEANOJI-JOCHJYFZSA-N 1 0 411.933 4.141 20 30 HIEDRO Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507420075 916188316 /nfs/dbraw/zinc/18/83/16/916188316.db2.gz IBUSSNILFQULMX-UZLBHIALSA-N 1 0 424.932 4.022 20 30 HIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(Cl)c1 ZINC000507443412 916213218 /nfs/dbraw/zinc/21/32/18/916213218.db2.gz QXONWFPPIFRWCA-KKSFZXQISA-N 1 0 424.932 4.022 20 30 HIEDRO COc1ccc(CN(Cc2nc3ccccc3c(=O)[nH]2)C(C)C)cc1OCCCC#N ZINC000507444910 916215435 /nfs/dbraw/zinc/21/54/35/916215435.db2.gz YJKSASGMWLINPD-UHFFFAOYSA-N 1 0 420.513 4.437 20 30 HIEDRO COc1cc(OC)c([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1Cl ZINC000507448903 916218774 /nfs/dbraw/zinc/21/87/74/916218774.db2.gz LRTCTVQGYPJXSU-IFXJQAMLSA-N 1 0 413.905 4.075 20 30 HIEDRO COC[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(C(F)(F)F)c1 ZINC000507450377 916220240 /nfs/dbraw/zinc/22/02/40/916220240.db2.gz PWMCKONGBPPZIY-UXHICEINSA-N 1 0 417.431 4.050 20 30 HIEDRO Cc1ccc([C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)N2CCOCC2)cc1 ZINC000507623078 916380775 /nfs/dbraw/zinc/38/07/75/916380775.db2.gz WYFXAIZWFUBMMU-JNLGVIEDSA-N 1 0 403.570 4.362 20 30 HIEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507637396 916396080 /nfs/dbraw/zinc/39/60/80/916396080.db2.gz PTWWFNQXAVFXPP-FQEVSTJZSA-N 1 0 415.541 4.276 20 30 HIEDRO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c(C#N)c1C ZINC000507638355 916397218 /nfs/dbraw/zinc/39/72/18/916397218.db2.gz RZCQRMDUZJSPBB-MRXNPFEDSA-N 1 0 405.502 4.050 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccccc3OCc3cccnc3)CC2)nc1 ZINC000507769933 916556533 /nfs/dbraw/zinc/55/65/33/916556533.db2.gz KKNAAKOSSOTOSC-UHFFFAOYSA-N 1 0 414.509 4.407 20 30 HIEDRO COc1cccc([C@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)[NH+]2CCCC2)c1 ZINC000508100056 916914587 /nfs/dbraw/zinc/91/45/87/916914587.db2.gz ZXVPDQPIWQUHDQ-FQEVSTJZSA-N 1 0 409.534 4.082 20 30 HIEDRO COc1cccc([C@@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)[NH+]2CCCC2)c1 ZINC000508100057 916915299 /nfs/dbraw/zinc/91/52/99/916915299.db2.gz ZXVPDQPIWQUHDQ-HXUWFJFHSA-N 1 0 409.534 4.082 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000508208645 917027581 /nfs/dbraw/zinc/02/75/81/917027581.db2.gz NZZIWJUAZWXDKS-XMMPIXPASA-N 1 0 420.557 4.194 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000508250414 917070048 /nfs/dbraw/zinc/07/00/48/917070048.db2.gz MARKFZPJYOXGGA-UHFFFAOYSA-N 1 0 408.502 4.357 20 30 HIEDRO C=CCn1c(Cc2ccsc2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508460451 917245614 /nfs/dbraw/zinc/24/56/14/917245614.db2.gz CRRQHYCYVBOUQG-NRFANRHFSA-N 1 0 407.587 4.075 20 30 HIEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508464445 917247929 /nfs/dbraw/zinc/24/79/29/917247929.db2.gz MIFPXWORBIPJFJ-VXKWHMMOSA-N 1 0 423.605 4.442 20 30 HIEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508478698 917264044 /nfs/dbraw/zinc/26/40/44/917264044.db2.gz SRPWHFKIEPCQGM-PZJWPPBQSA-N 1 0 404.562 4.094 20 30 HIEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000508482568 917268250 /nfs/dbraw/zinc/26/82/50/917268250.db2.gz YQEBUIMMZMUMJF-NRFANRHFSA-N 1 0 411.569 4.142 20 30 HIEDRO C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000508497102 917281174 /nfs/dbraw/zinc/28/11/74/917281174.db2.gz IZJZTODNBSTZTH-QHCPKHFHSA-N 1 0 423.605 4.273 20 30 HIEDRO C=CCn1c(CCCc2ccccc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508510724 917296243 /nfs/dbraw/zinc/29/62/43/917296243.db2.gz RTENKRABNTZGQO-JTHBVZDNSA-N 1 0 405.590 4.093 20 30 HIEDRO C=CCn1c(-c2ccccn2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508724511 917486508 /nfs/dbraw/zinc/48/65/08/917486508.db2.gz SNWAQKVFCYFZGS-GMAHTHKFSA-N 1 0 414.557 4.017 20 30 HIEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508730272 917491902 /nfs/dbraw/zinc/49/19/02/917491902.db2.gz OCMUSCITJVVVMD-XXBNENTESA-N 1 0 414.557 4.132 20 30 HIEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508747590 917505430 /nfs/dbraw/zinc/50/54/30/917505430.db2.gz OINDEUWXTGQWJH-RBUKOAKNSA-N 1 0 413.541 4.055 20 30 HIEDRO C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000508746939 917505623 /nfs/dbraw/zinc/50/56/23/917505623.db2.gz LXODCIAHOHAHOT-IBGZPJMESA-N 1 0 417.557 4.289 20 30 HIEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508844728 917595987 /nfs/dbraw/zinc/59/59/87/917595987.db2.gz KPYDQNDPBBYQGW-XMSQKQJNSA-N 1 0 416.573 4.076 20 30 HIEDRO C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000508914452 917672240 /nfs/dbraw/zinc/67/22/40/917672240.db2.gz UGALMHKZTHQOAG-IBGZPJMESA-N 1 0 423.605 4.118 20 30 HIEDRO C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508956326 917712698 /nfs/dbraw/zinc/71/26/98/917712698.db2.gz OWLKFRDILIFBNF-GMAHTHKFSA-N 1 0 423.605 4.272 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(O)c2nc(C)ccc12 ZINC000509090268 917832059 /nfs/dbraw/zinc/83/20/59/917832059.db2.gz RSYHNDWIVKKODP-UHFFFAOYSA-N 1 0 423.586 4.347 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(C)(c3cccc(Br)c3)CC2)CC1 ZINC000509197104 917901771 /nfs/dbraw/zinc/90/17/71/917901771.db2.gz QMIOPKPTVMISDZ-UHFFFAOYSA-N 1 0 420.395 4.163 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)c(Br)c1 ZINC000509642483 918281977 /nfs/dbraw/zinc/28/19/77/918281977.db2.gz XVWAOKAATQBSRS-UHFFFAOYSA-N 1 0 420.738 4.178 20 30 HIEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000509828156 918429614 /nfs/dbraw/zinc/42/96/14/918429614.db2.gz PEURKWVPBLENCV-UHFFFAOYSA-N 1 0 409.530 4.225 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1)C(C)C ZINC000509976269 918564600 /nfs/dbraw/zinc/56/46/00/918564600.db2.gz LJIKSHCERNBQNQ-UHFFFAOYSA-N 1 0 420.557 4.304 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000510651360 919091982 /nfs/dbraw/zinc/09/19/82/919091982.db2.gz MBGOJONUKZWXEE-TZIWHRDSSA-N 1 0 420.557 4.025 20 30 HIEDRO C=CCc1cc(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)cc(OC)c1OC ZINC000510809005 919284480 /nfs/dbraw/zinc/28/44/80/919284480.db2.gz CSZAHEWELKCAQH-UHFFFAOYSA-N 1 0 408.498 4.170 20 30 HIEDRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000510824385 919304312 /nfs/dbraw/zinc/30/43/12/919304312.db2.gz CHKAIJXXAREJEK-UHFFFAOYSA-N 1 0 420.557 4.153 20 30 HIEDRO C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510976345 919524046 /nfs/dbraw/zinc/52/40/46/919524046.db2.gz UEFXOIGKAONWTA-IEBWSBKVSA-N 1 0 407.514 4.113 20 30 HIEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000511309835 919901753 /nfs/dbraw/zinc/90/17/53/919901753.db2.gz ZQJSSXLXCWOSIL-IBGZPJMESA-N 1 0 406.530 4.328 20 30 HIEDRO CC[N@@H+]1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)[C@H](C)C1 ZINC000511608041 920256720 /nfs/dbraw/zinc/25/67/20/920256720.db2.gz ZKIYGDOIHTVLAT-IAGOWNOFSA-N 1 0 416.635 4.125 20 30 HIEDRO 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HIEDRO CCc1cccc2c(C3CC[NH+](C[C@H](O)COc4ccc(C#N)cc4)CC3)c[nH]c21 ZINC000515742935 923316816 /nfs/dbraw/zinc/31/68/16/923316816.db2.gz AYBJIVAFEDXYRN-NRFANRHFSA-N 1 0 403.526 4.221 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000515805347 923361886 /nfs/dbraw/zinc/36/18/86/923361886.db2.gz CPSPCUJDJZJTSN-DEOSSOPVSA-N 1 0 423.557 4.239 20 30 HIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000515878446 923410177 /nfs/dbraw/zinc/41/01/77/923410177.db2.gz CVJRWQLZYXICMS-UHFFFAOYSA-N 1 0 408.521 4.284 20 30 HIEDRO C=CCc1cc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cc(OC)c1OC ZINC000516003930 923494782 /nfs/dbraw/zinc/49/47/82/923494782.db2.gz BQPVUIZHQBNCJC-UHFFFAOYSA-N 1 0 400.563 4.161 20 30 HIEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000516204905 923598043 /nfs/dbraw/zinc/59/80/43/923598043.db2.gz SVQSXZGVGYHOFQ-MRXNPFEDSA-N 1 0 411.575 4.238 20 30 HIEDRO COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c3ccc(C#N)cc3)ccc2c1 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C=C(C)C[NH+]1CCC(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)CC1 ZINC000519271131 927858074 /nfs/dbraw/zinc/85/80/74/927858074.db2.gz WTLLYNHWNIOBHD-UHFFFAOYSA-N 1 0 420.582 4.430 20 30 HIEDRO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000519705063 928052002 /nfs/dbraw/zinc/05/20/02/928052002.db2.gz KAMHLXIXOFMKJU-FDDCHVKYSA-N 1 0 421.541 4.322 20 30 HIEDRO N#Cc1ccc(Oc2ccc(C(=O)N3C[C@@H]4CCC[N@@H+]4Cc4ccccc43)cc2)nc1 ZINC000520322825 928486269 /nfs/dbraw/zinc/48/62/69/928486269.db2.gz HDRARMLFIOWPDI-NRFANRHFSA-N 1 0 410.477 4.370 20 30 HIEDRO C[NH+](C)CCN(CC1CCCCC1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000520338555 928501786 /nfs/dbraw/zinc/50/17/86/928501786.db2.gz LVSDBWHABGNDHZ-UHFFFAOYSA-N 1 0 406.530 4.330 20 30 HIEDRO COc1ccc(-c2n[nH]cc2C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000520389466 928541451 /nfs/dbraw/zinc/54/14/51/928541451.db2.gz SSMJZOINSVHTRS-UHFFFAOYSA-N 1 0 402.498 4.437 20 30 HIEDRO C=CCCO[C@@H](C)C(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000520636696 928691134 /nfs/dbraw/zinc/69/11/34/928691134.db2.gz UJQTWBJUJYVXHF-NRFANRHFSA-N 1 0 407.558 4.237 20 30 HIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000520778477 928813038 /nfs/dbraw/zinc/81/30/38/928813038.db2.gz DINNROOVRDOFIQ-AZGAKELHSA-N 1 0 417.553 4.086 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1C#N ZINC000520899430 928866549 /nfs/dbraw/zinc/86/65/49/928866549.db2.gz ZEKCOFKKTOAELB-UNMCSNQZSA-N 1 0 418.541 4.331 20 30 HIEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccccc1 ZINC000521007339 928921840 /nfs/dbraw/zinc/92/18/40/928921840.db2.gz JICPTBBPROJLPN-CQSZACIVSA-N 1 0 402.445 4.411 20 30 HIEDRO CCOc1c(OC)cc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cc1OC ZINC000521172908 929043603 /nfs/dbraw/zinc/04/36/03/929043603.db2.gz KIDQHWLKPHIDNP-UHFFFAOYSA-N 1 0 410.514 4.454 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@H](NC(=O)c2ccc(C)cc2)c2ccccc2)CC1 ZINC000521573905 929305105 /nfs/dbraw/zinc/30/51/05/929305105.db2.gz 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HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](C)C1 ZINC000525124131 930049839 /nfs/dbraw/zinc/04/98/39/930049839.db2.gz YRIWZFQJKXFOAX-JAXLGGSGSA-N 1 0 405.542 4.456 20 30 HIEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000526973626 930560220 /nfs/dbraw/zinc/56/02/20/930560220.db2.gz ZSXFXRHMJONURN-LJQANCHMSA-N 1 0 412.578 4.012 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@H+](C)CCc2ccccn2)cc1OCC ZINC000527358169 930645085 /nfs/dbraw/zinc/64/50/85/930645085.db2.gz VMXXQZMTVKYXBI-UHFFFAOYSA-N 1 0 405.336 4.482 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc1 ZINC000530356731 930692792 /nfs/dbraw/zinc/69/27/92/930692792.db2.gz CAMPXHGENVMPCG-PKTZIBPZSA-N 1 0 418.541 4.068 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2ccccc2N(C)C)cc1OC ZINC000531012174 930884606 /nfs/dbraw/zinc/88/46/06/930884606.db2.gz LQNPKGNETKSSDV-UHFFFAOYSA-N 1 0 405.336 4.378 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531079501 930910936 /nfs/dbraw/zinc/91/09/36/930910936.db2.gz RMBMFWZRJQRBQX-HXUWFJFHSA-N 1 0 416.909 4.249 20 30 HIEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C#N)c2ccc(Cl)c(Cl)c2)CC1 ZINC000531203878 930963356 /nfs/dbraw/zinc/96/33/56/930963356.db2.gz AHAQSJZVZVXFOG-SFHVURJKSA-N 1 0 403.313 4.294 20 30 HIEDRO C=CCNC(=O)Nc1ccc(NCc2ccccc2N(C)C2CC[NH+](C)CC2)cc1 ZINC000531596081 931115699 /nfs/dbraw/zinc/11/56/99/931115699.db2.gz FDXDSAIJIRKKQE-UHFFFAOYSA-N 1 0 407.562 4.137 20 30 HIEDRO CC(C)(C#N)CCC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000531903091 931241076 /nfs/dbraw/zinc/24/10/76/931241076.db2.gz DTEJXPKHVDDOBA-FQEVSTJZSA-N 1 0 406.498 4.377 20 30 HIEDRO CC(C)(C)[C@@H](NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cccs1 ZINC000532158730 931331760 /nfs/dbraw/zinc/33/17/60/931331760.db2.gz HKSOQAYSVZGPIY-QHCPKHFHSA-N 1 0 424.614 4.031 20 30 HIEDRO CCC[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)Cc1ccc(C#N)cc1 ZINC000532412198 931426433 /nfs/dbraw/zinc/42/64/33/931426433.db2.gz HQNIZMVHGDSOFL-UHFFFAOYSA-N 1 0 420.376 4.253 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(OCCc3ccccc3)CC2)cc1Cl ZINC000532571856 931533343 /nfs/dbraw/zinc/53/33/43/931533343.db2.gz AZWZDBDBVMQPNJ-UHFFFAOYSA-N 1 0 411.933 4.264 20 30 HIEDRO COc1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000532584775 931542015 /nfs/dbraw/zinc/54/20/15/931542015.db2.gz RNPDRGMMZORAPN-HSZRJFAPSA-N 1 0 405.542 4.064 20 30 HIEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000532590543 931548446 /nfs/dbraw/zinc/54/84/46/931548446.db2.gz NQNGICFPERMLGM-LADGPHEKSA-N 1 0 415.537 4.226 20 30 HIEDRO CCC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000532970900 931720259 /nfs/dbraw/zinc/72/02/59/931720259.db2.gz ACDHSLGBLKLVDJ-ZLGUVYLKSA-N 1 0 415.603 4.353 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)CC1(c2ccc(Br)cc2)CC1 ZINC000532973764 931722493 /nfs/dbraw/zinc/72/24/93/931722493.db2.gz DDSCFTPEEPTBND-UHFFFAOYSA-N 1 0 418.360 4.374 20 30 HIEDRO C[C@@H]1CN([C@@H](C[NH2+]Cc2ccc(C#N)cc2F)c2c(F)cccc2Cl)CCO1 ZINC000532989715 931729039 /nfs/dbraw/zinc/72/90/39/931729039.db2.gz UTLLMQBWYISJAQ-VLIAUNLRSA-N 1 0 405.876 4.041 20 30 HIEDRO Cn1cc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c(C(F)(F)F)n1 ZINC000533037911 931748656 /nfs/dbraw/zinc/74/86/56/931748656.db2.gz GXAILPFEBWVILA-UHFFFAOYSA-N 1 0 400.404 4.179 20 30 HIEDRO C=CCOc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)cn2)cc1Cl ZINC000533187728 931804746 /nfs/dbraw/zinc/80/47/46/931804746.db2.gz JBPDUQHPGOTJNR-UHFFFAOYSA-N 1 0 400.954 4.442 20 30 HIEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000533295119 931831527 /nfs/dbraw/zinc/83/15/27/931831527.db2.gz OVCKMGKWSYVSEM-HNNXBMFYSA-N 1 0 412.331 4.311 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000533298163 931832144 /nfs/dbraw/zinc/83/21/44/931832144.db2.gz JOBBDQGQJGFWKE-FQEVSTJZSA-N 1 0 412.599 4.375 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533374837 931852477 /nfs/dbraw/zinc/85/24/77/931852477.db2.gz CWRZMOFXANTETN-IYWMVGAKSA-N 1 0 414.619 4.357 20 30 HIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000533375256 931852701 /nfs/dbraw/zinc/85/27/01/931852701.db2.gz LCKPTBWRCQKBCS-FGTMMUONSA-N 1 0 414.619 4.164 20 30 HIEDRO C=C[C@H](CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1)c1ccccc1 ZINC000533936327 932110117 /nfs/dbraw/zinc/11/01/17/932110117.db2.gz AYQYYUQCMCTQNL-AUSIDOKSSA-N 1 0 405.542 4.151 20 30 HIEDRO C=CCOc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)c1 ZINC000534205436 932330552 /nfs/dbraw/zinc/33/05/52/932330552.db2.gz FVFAOXLJPUPZBU-PKTZIBPZSA-N 1 0 414.594 4.052 20 30 HIEDRO N#Cc1cccc(OCc2ccoc2C(=O)NC2CC[NH+](CC3CCCC3)CC2)c1 ZINC000534283408 932375486 /nfs/dbraw/zinc/37/54/86/932375486.db2.gz JTRCJSGNJXZJCG-UHFFFAOYSA-N 1 0 407.514 4.115 20 30 HIEDRO N#CCc1ccc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1 ZINC000534689729 932661231 /nfs/dbraw/zinc/66/12/31/932661231.db2.gz CLYKGNOSJQSPHT-HXUWFJFHSA-N 1 0 415.459 4.279 20 30 HIEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)c(-c3cccc(Cl)c3)s2)c1C#N ZINC000534797447 932776208 /nfs/dbraw/zinc/77/62/08/932776208.db2.gz ZAYWSXNGMDQWAE-UHFFFAOYSA-N 1 0 413.934 4.376 20 30 HIEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534970355 932868251 /nfs/dbraw/zinc/86/82/51/932868251.db2.gz AUSVURONVMWCKR-RXVVDRJESA-N 1 0 414.912 4.185 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(-c3ccc4c(c3)C[C@@H](C)O4)cc2)CC1 ZINC000535309365 933064323 /nfs/dbraw/zinc/06/43/23/933064323.db2.gz QXEOCDYDQXOGJR-GOSISDBHSA-N 1 0 405.542 4.127 20 30 HIEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1C#N ZINC000535505596 933197352 /nfs/dbraw/zinc/19/73/52/933197352.db2.gz MRJRUZTVUSSGIN-UHFFFAOYSA-N 1 0 408.314 4.207 20 30 HIEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(C#N)c1C ZINC000535676987 933326733 /nfs/dbraw/zinc/32/67/33/933326733.db2.gz SVIIVYVQWPUHLJ-LJQANCHMSA-N 1 0 420.557 4.083 20 30 HIEDRO CN1CCN([C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c2cccs2)CC1 ZINC000535784329 933386521 /nfs/dbraw/zinc/38/65/21/933386521.db2.gz IKEZWFUDRZRXDP-XERBYJISSA-N 1 0 408.615 4.030 20 30 HIEDRO C=CCOc1ccc(C(=O)N(Cc2ccc(O)cc2)C[C@@H]2CCC[N@H+]2CC)cc1OC ZINC000536033671 933582829 /nfs/dbraw/zinc/58/28/29/933582829.db2.gz AAAUZENLDWNQCK-NRFANRHFSA-N 1 0 424.541 4.092 20 30 HIEDRO C=C[C@H](CC(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1)c1ccccc1 ZINC000536119978 933670332 /nfs/dbraw/zinc/67/03/32/933670332.db2.gz TZIIKDOHCCJFME-OAQYLSRUSA-N 1 0 421.585 4.490 20 30 HIEDRO COc1ccc([C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C2CC2)cc1 ZINC000537287826 933698826 /nfs/dbraw/zinc/69/88/26/933698826.db2.gz QBSLKRDBALPRNI-SBUREZEXSA-N 1 0 407.514 4.080 20 30 HIEDRO C[C@@H]([NH2+]Cc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(C#N)cc1 ZINC000537296689 933702374 /nfs/dbraw/zinc/70/23/74/933702374.db2.gz VSRMGOJKVITKTO-GOSISDBHSA-N 1 0 416.525 4.164 20 30 HIEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000537391718 933754121 /nfs/dbraw/zinc/75/41/21/933754121.db2.gz HQNJLSPQADAEDI-UHFFFAOYSA-N 1 0 401.514 4.186 20 30 HIEDRO C=CCOc1ccc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)cc1OC ZINC000537623167 938337017 /nfs/dbraw/zinc/33/70/17/938337017.db2.gz YVXCMXFUPVLPSE-GOSISDBHSA-N 1 0 406.320 4.188 20 30 HIEDRO C=CCOc1ccc(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)cc1OC ZINC000537623169 938337270 /nfs/dbraw/zinc/33/72/70/938337270.db2.gz YVXCMXFUPVLPSE-SFHVURJKSA-N 1 0 406.320 4.188 20 30 HIEDRO C=CCOc1cccc(C[N@H+]2CCCN(Cc3csc([C@H](C)OC)n3)CC2)c1 ZINC000537711744 938361653 /nfs/dbraw/zinc/36/16/53/938361653.db2.gz WIPNDXMJDRZPJP-SFHVURJKSA-N 1 0 401.576 4.123 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 ZINC000563300567 945171178 /nfs/dbraw/zinc/17/11/78/945171178.db2.gz DAAMCGDUPRCAGA-UHFFFAOYSA-N 1 0 405.498 4.319 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc4[nH]c(C(F)F)nc4c3)CC2)cc1 ZINC000537884174 938399265 /nfs/dbraw/zinc/39/92/65/938399265.db2.gz XLKKDXKXMSESCP-UHFFFAOYSA-N 1 0 424.455 4.112 20 30 HIEDRO C[NH+](C)Cc1cc(CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)ccc1F ZINC000538069005 938493758 /nfs/dbraw/zinc/49/37/58/938493758.db2.gz LFVJCVJSYBNPRX-UHFFFAOYSA-N 1 0 416.500 4.425 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000563324376 945179974 /nfs/dbraw/zinc/17/99/74/945179974.db2.gz MXAIIFMWKSFRMA-HOYKHHGWSA-N 1 0 424.504 4.267 20 30 HIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)c1 ZINC000538127953 938513342 /nfs/dbraw/zinc/51/33/42/938513342.db2.gz BXGXTSYRCUZMMA-INIZCTEOSA-N 1 0 412.921 4.204 20 30 HIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 ZINC000538130107 938515055 /nfs/dbraw/zinc/51/50/55/938515055.db2.gz ZQBSOWHBWZDUOW-HOTGVXAUSA-N 1 0 410.543 4.329 20 30 HIEDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OCC ZINC000538166452 938532926 /nfs/dbraw/zinc/53/29/26/938532926.db2.gz ZRLVDAVZURQMEF-CQSZACIVSA-N 1 0 401.894 4.298 20 30 HIEDRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000538178057 938539216 /nfs/dbraw/zinc/53/92/16/938539216.db2.gz PCNSTVQBKPYSNJ-WIOPSUGQSA-N 1 0 420.484 4.019 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c1C ZINC000538208166 938556093 /nfs/dbraw/zinc/55/60/93/938556093.db2.gz OXSYNCDZPHNGIT-FQEVSTJZSA-N 1 0 418.541 4.028 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)ccc1Cl ZINC000538239121 938570513 /nfs/dbraw/zinc/57/05/13/938570513.db2.gz FIUHNHMLOYDMSM-GOSISDBHSA-N 1 0 421.932 4.432 20 30 HIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000538266925 938579064 /nfs/dbraw/zinc/57/90/64/938579064.db2.gz RRDUNQQAUPNAGY-CABCVRRESA-N 1 0 407.905 4.384 20 30 HIEDRO Cc1nc(-c2cc3c(s2)CC[N@H+](CCC(=O)Nc2cccc(C#N)c2)C3)cs1 ZINC000538996463 938763745 /nfs/dbraw/zinc/76/37/45/938763745.db2.gz BJNNBCPLUSZUNM-UHFFFAOYSA-N 1 0 408.552 4.439 20 30 HIEDRO C[C@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(OCc2nccn2C)cc1 ZINC000539071559 938794263 /nfs/dbraw/zinc/79/42/63/938794263.db2.gz WOARTOWTQRKHND-SFHVURJKSA-N 1 0 406.555 4.455 20 30 HIEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000539210973 938819595 /nfs/dbraw/zinc/81/95/95/938819595.db2.gz LOUAJHLSGILMFV-UHFFFAOYSA-N 1 0 402.542 4.385 20 30 HIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)c1 ZINC000539233102 938822780 /nfs/dbraw/zinc/82/27/80/938822780.db2.gz MJRHQNPHVDMYIR-MRXNPFEDSA-N 1 0 421.545 4.339 20 30 HIEDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)cc1 ZINC000539234976 938823087 /nfs/dbraw/zinc/82/30/87/938823087.db2.gz YCJNKHKRMAJMRF-AZUAARDMSA-N 1 0 420.557 4.015 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1F ZINC000539243216 938824491 /nfs/dbraw/zinc/82/44/91/938824491.db2.gz WVXTYLQASMVYGL-LSDHHAIUSA-N 1 0 401.507 4.375 20 30 HIEDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1OC ZINC000539269287 938830780 /nfs/dbraw/zinc/83/07/80/938830780.db2.gz SYTCMDZSEHAPGV-IBGZPJMESA-N 1 0 409.530 4.308 20 30 HIEDRO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000539300637 938836773 /nfs/dbraw/zinc/83/67/73/938836773.db2.gz LCCXLZKEVIPTBG-SFHVURJKSA-N 1 0 417.484 4.243 20 30 HIEDRO C[C@@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000539490677 938867567 /nfs/dbraw/zinc/86/75/67/938867567.db2.gz HNOKUZGXRRYMEZ-ASSNKEHSSA-N 1 0 411.889 4.051 20 30 HIEDRO CC(C)[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N1CCc2ccccc2C1 ZINC000539495655 938868605 /nfs/dbraw/zinc/86/86/05/938868605.db2.gz CJJSDMVAIYNKTH-MHZLTWQESA-N 1 0 416.613 4.195 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000539499448 938869118 /nfs/dbraw/zinc/86/91/18/938869118.db2.gz JPPBQVCMCLLDRH-UHFFFAOYSA-N 1 0 402.567 4.478 20 30 HIEDRO C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)c1ccc(C#N)cc1 ZINC000539499055 938869242 /nfs/dbraw/zinc/86/92/42/938869242.db2.gz CHGRUFFYBUNANZ-QGZVFWFLSA-N 1 0 423.513 4.027 20 30 HIEDRO N#CC1(c2ccc(C(=O)Nc3cccc(NC(=O)CC[NH+]4CCCCC4)c3)cc2)CC1 ZINC000539623098 938889294 /nfs/dbraw/zinc/88/92/94/938889294.db2.gz MDTSQVSGOVLHLF-UHFFFAOYSA-N 1 0 416.525 4.309 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)cc1OC ZINC000539669351 938897878 /nfs/dbraw/zinc/89/78/78/938897878.db2.gz QHBBFAQHHAMHFT-SFHVURJKSA-N 1 0 410.352 4.414 20 30 HIEDRO C=CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1OC ZINC000539818816 938942729 /nfs/dbraw/zinc/94/27/29/938942729.db2.gz NVWHFSVGTSTAMM-DOTOQJQBSA-N 1 0 411.384 4.327 20 30 HIEDRO N#CCCCOc1cccc(C[NH+]2CCC(n3cc(Br)cn3)CC2)c1 ZINC000539830041 938949686 /nfs/dbraw/zinc/94/96/86/938949686.db2.gz LDUOOMQNQFOTNE-UHFFFAOYSA-N 1 0 403.324 4.165 20 30 HIEDRO C=CC[N@H+](Cc1cc(Br)cs1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831252 938950872 /nfs/dbraw/zinc/95/08/72/938950872.db2.gz FVVVKGARCDEUNJ-CYBMUJFWSA-N 1 0 404.337 4.236 20 30 HIEDRO CCN(C[C@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1)CC(F)(F)F ZINC000539849516 938957068 /nfs/dbraw/zinc/95/70/68/938957068.db2.gz BHOWIWMIUCCLQV-GOSISDBHSA-N 1 0 419.495 4.170 20 30 HIEDRO C[C@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000540152520 939093417 /nfs/dbraw/zinc/09/34/17/939093417.db2.gz JFXBUDKDBWWINH-FDDCHVKYSA-N 1 0 423.538 4.454 20 30 HIEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)cc1 ZINC000540342938 939200924 /nfs/dbraw/zinc/20/09/24/939200924.db2.gz QHQTVOSQIIEKDX-SFHVURJKSA-N 1 0 413.587 4.369 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000540470537 939265719 /nfs/dbraw/zinc/26/57/19/939265719.db2.gz GFGAHGOKGXJPTL-UHFFFAOYSA-N 1 0 409.839 4.434 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)cc1 ZINC000540597569 939314825 /nfs/dbraw/zinc/31/48/25/939314825.db2.gz SYWHHYDHCBVTJA-UHFFFAOYSA-N 1 0 423.004 4.430 20 30 HIEDRO C[C@@H]([NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1)c1cccc(C#N)c1 ZINC000540596192 939314992 /nfs/dbraw/zinc/31/49/92/939314992.db2.gz BCHAHJYPDYVNMD-ZOCZFRKYSA-N 1 0 401.913 4.463 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(NC(=O)c4ccco4)cc3)CC2)cc1 ZINC000540598221 939315764 /nfs/dbraw/zinc/31/57/64/939315764.db2.gz BGXCBZHJQVVQKX-UHFFFAOYSA-N 1 0 414.509 4.158 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3ccccc3OC(F)(F)F)CC2)cc1 ZINC000540607743 939318266 /nfs/dbraw/zinc/31/82/66/939318266.db2.gz XFJDBWBDXVQXCM-UHFFFAOYSA-N 1 0 403.448 4.254 20 30 HIEDRO C=CCc1cc(C[NH2+]C2CCN(c3nc4ccccc4s3)CC2)cc(OC)c1O ZINC000540792154 939373843 /nfs/dbraw/zinc/37/38/43/939373843.db2.gz BFGVEXKEMNLJRW-UHFFFAOYSA-N 1 0 409.555 4.498 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(C)n(-c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000540829042 939386852 /nfs/dbraw/zinc/38/68/52/939386852.db2.gz CBDYFENPBIWNQP-UHFFFAOYSA-N 1 0 408.333 4.259 20 30 HIEDRO OC[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1cccc(Br)c1 ZINC000541055244 939443308 /nfs/dbraw/zinc/44/33/08/939443308.db2.gz SBJFXMQASLRJLI-KRWDZBQOSA-N 1 0 414.221 4.022 20 30 HIEDRO C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541158970 939480716 /nfs/dbraw/zinc/48/07/16/939480716.db2.gz QCIWCNFXGGXOGR-CYFREDJKSA-N 1 0 420.557 4.038 20 30 HIEDRO C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541158576 939480741 /nfs/dbraw/zinc/48/07/41/939480741.db2.gz HTNFBMWOHUBGGO-NTUVXCKYSA-N 1 0 402.542 4.412 20 30 HIEDRO CCc1cnccc1[C@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000541193218 939485154 /nfs/dbraw/zinc/48/51/54/939485154.db2.gz DLCWXDMNWUUKIZ-INIZCTEOSA-N 1 0 419.504 4.352 20 30 HIEDRO N#Cc1ccc(C[N@@H+](CCc2nc3sc4c(c3c(N)n2)CCCC4)C2CC2)cc1 ZINC000541315893 939490665 /nfs/dbraw/zinc/49/06/65/939490665.db2.gz NAMYSCQIVWRRGA-UHFFFAOYSA-N 1 0 403.555 4.231 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1cccc(OC)c1 ZINC000541452158 939520250 /nfs/dbraw/zinc/52/02/50/939520250.db2.gz ZGXHCRKQBUVFTP-DEOSSOPVSA-N 1 0 420.557 4.324 20 30 HIEDRO N#Cc1cc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC000541600909 939565257 /nfs/dbraw/zinc/56/52/57/939565257.db2.gz CSIGQIHBLJTNLT-IBGZPJMESA-N 1 0 405.889 4.107 20 30 HIEDRO COCC[C@@H](NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1ccc(C)o1 ZINC000541648064 939586303 /nfs/dbraw/zinc/58/63/03/939586303.db2.gz DEXSTEHONWXTMO-LJQANCHMSA-N 1 0 403.910 4.164 20 30 HIEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)Nc1sccc1C#N ZINC000541654086 939589636 /nfs/dbraw/zinc/58/96/36/939589636.db2.gz ACCUGACRXVGIRQ-LLVKDONJSA-N 1 0 400.504 4.480 20 30 HIEDRO Cc1cnc([C@@H](C)[NH2+]CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)s1 ZINC000541687001 939602737 /nfs/dbraw/zinc/60/27/37/939602737.db2.gz IRTIYBVSBGFSTJ-OAHLLOKOSA-N 1 0 411.531 4.062 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000541692344 939605987 /nfs/dbraw/zinc/60/59/87/939605987.db2.gz YOSBBFGAEGOGQA-BMCPXHGSSA-N 1 0 409.555 4.420 20 30 HIEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)c1C#N ZINC000541699097 939608209 /nfs/dbraw/zinc/60/82/09/939608209.db2.gz LKRQNCAALQXFJA-JTSKRJEESA-N 1 0 414.509 4.059 20 30 HIEDRO C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542020015 939688772 /nfs/dbraw/zinc/68/87/72/939688772.db2.gz UKURQDYQIJZWDI-UZUQRXQVSA-N 1 0 417.465 4.224 20 30 HIEDRO CC(C)n1nnnc1-c1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1F ZINC000542174174 939743711 /nfs/dbraw/zinc/74/37/11/939743711.db2.gz SJLJNAKMMKAQOZ-UHFFFAOYSA-N 1 0 419.508 4.008 20 30 HIEDRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc1OC1CCCC1 ZINC000542192304 939751445 /nfs/dbraw/zinc/75/14/45/939751445.db2.gz RUIQOIGSPRPHLW-UHFFFAOYSA-N 1 0 421.541 4.092 20 30 HIEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@@H](c2cccnc2)C2CC2)c1C#N ZINC000542521701 939836887 /nfs/dbraw/zinc/83/68/87/939836887.db2.gz WVKVLUPHJFAZIU-HSZRJFAPSA-N 1 0 417.488 4.179 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCO[C@H](c2ccc(F)cc2)C1)C(C)C ZINC000542535659 939839413 /nfs/dbraw/zinc/83/94/13/939839413.db2.gz WFGOLOVYSUBUDL-BDTNDASRSA-N 1 0 403.542 4.044 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000542617563 939849103 /nfs/dbraw/zinc/84/91/03/939849103.db2.gz BXQPREJIADQMNZ-AYSMAOOMSA-N 1 0 409.555 4.370 20 30 HIEDRO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[NH+]1CCC(CC#N)CC1 ZINC000542882510 939865056 /nfs/dbraw/zinc/86/50/56/939865056.db2.gz DRVBKGNLZJZHFK-LJQANCHMSA-N 1 0 418.541 4.084 20 30 HIEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542942465 939882862 /nfs/dbraw/zinc/88/28/62/939882862.db2.gz QHQYYNGKYXGYAV-JTSKRJEESA-N 1 0 416.477 4.044 20 30 HIEDRO N#Cc1ccc(CN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C2CC2)cc1 ZINC000543299043 940021796 /nfs/dbraw/zinc/02/17/96/940021796.db2.gz ZGWRNUPRVUYQPJ-HXUWFJFHSA-N 1 0 408.571 4.206 20 30 HIEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000543514164 940091805 /nfs/dbraw/zinc/09/18/05/940091805.db2.gz ZOEUIKVNIHFMJB-YHQOMNDMSA-N 1 0 402.539 4.351 20 30 HIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000543809965 940193457 /nfs/dbraw/zinc/19/34/57/940193457.db2.gz SZKTYOOEDSOLEX-LSDHHAIUSA-N 1 0 419.554 4.280 20 30 HIEDRO COCc1cccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000543870509 940218074 /nfs/dbraw/zinc/21/80/74/940218074.db2.gz BHCARWLOFWRKPP-IBGZPJMESA-N 1 0 413.521 4.339 20 30 HIEDRO N#Cc1ccc(-n2ccc(NC(=O)NCCCCC[NH+]3CCCCC3)n2)c(Cl)c1 ZINC000543892884 940229865 /nfs/dbraw/zinc/22/98/65/940229865.db2.gz PSHAGXZCZKGLFT-UHFFFAOYSA-N 1 0 414.941 4.175 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CC3CCC(C(F)(F)F)CC3)CC2)cc1 ZINC000544019753 940301461 /nfs/dbraw/zinc/30/14/61/940301461.db2.gz MKNOWLVQDDYZFY-UHFFFAOYSA-N 1 0 407.480 4.351 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@](O)(C(F)(F)F)CC3)c2)c1 ZINC000563839794 945310387 /nfs/dbraw/zinc/31/03/87/945310387.db2.gz CBAPARLYGBXHSI-OAQYLSRUSA-N 1 0 404.432 4.417 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)C(C)C ZINC000544231850 940362162 /nfs/dbraw/zinc/36/21/62/940362162.db2.gz WFVMEFCVOHAWFQ-JTHBVZDNSA-N 1 0 412.622 4.308 20 30 HIEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)c1ccccc1C(F)(F)F ZINC000544462527 940441653 /nfs/dbraw/zinc/44/16/53/940441653.db2.gz ZAPNOLGEFCIYPH-LSDHHAIUSA-N 1 0 410.461 4.133 20 30 HIEDRO C=CCc1cc(-c2nc(-c3ccccc3OCC[NH+](C)C)no2)cc(OC)c1OC ZINC000545690226 940580897 /nfs/dbraw/zinc/58/08/97/940580897.db2.gz RDOKLETYAPXDOB-UHFFFAOYSA-N 1 0 409.486 4.090 20 30 HIEDRO CCOc1cc(CNc2cc(CC#N)ccn2)ccc1OCC(=O)Nc1ccccc1 ZINC000546634010 940862982 /nfs/dbraw/zinc/86/29/82/940862982.db2.gz KPXHSUKBQYOTLI-UHFFFAOYSA-N 1 0 416.481 4.176 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000564041470 945361879 /nfs/dbraw/zinc/36/18/79/945361879.db2.gz HGSOYBBYQXLIIC-OAHLLOKOSA-N 1 0 400.523 4.461 20 30 HIEDRO N#Cc1ccc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000547984521 941081983 /nfs/dbraw/zinc/08/19/83/941081983.db2.gz LLSFUDOZKVSYLW-LJQANCHMSA-N 1 0 405.889 4.107 20 30 HIEDRO Cc1cc(NC(=O)c2ccc(C#N)c(Cl)c2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000548617418 941115291 /nfs/dbraw/zinc/11/52/91/941115291.db2.gz ZIJYPEPIJDJUKK-FQEVSTJZSA-N 1 0 419.916 4.416 20 30 HIEDRO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000548854396 941126837 /nfs/dbraw/zinc/12/68/37/941126837.db2.gz KFHGLHINOXXDGS-UHFFFAOYSA-N 1 0 405.949 4.480 20 30 HIEDRO N#Cc1ccccc1OC1CCC(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000549034473 941146491 /nfs/dbraw/zinc/14/64/91/941146491.db2.gz RZVOJKZKTQZNDO-UHFFFAOYSA-N 1 0 403.526 4.274 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000549248776 941174080 /nfs/dbraw/zinc/17/40/80/941174080.db2.gz XNKSAADWEDRZHV-SFHVURJKSA-N 1 0 413.541 4.198 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000549286211 941176928 /nfs/dbraw/zinc/17/69/28/941176928.db2.gz YDCYDNPADFYLHZ-MRXNPFEDSA-N 1 0 405.949 4.482 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCN(c3cc(Cl)ccc3OC)C2)cc1OC ZINC000549551729 941199130 /nfs/dbraw/zinc/19/91/30/941199130.db2.gz XWQPJPYLEAZCND-GOSISDBHSA-N 1 0 402.922 4.291 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000549637747 941202385 /nfs/dbraw/zinc/20/23/85/941202385.db2.gz JOTRSYQDDGYTGG-HXUWFJFHSA-N 1 0 409.578 4.286 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549639175 941202480 /nfs/dbraw/zinc/20/24/80/941202480.db2.gz HDZVTTNPFCZGGP-VABKMULXSA-N 1 0 421.589 4.164 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549664988 941203557 /nfs/dbraw/zinc/20/35/57/941203557.db2.gz AVOVUQHQGJHNQZ-NRFANRHFSA-N 1 0 409.578 4.115 20 30 HIEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000549667827 941203657 /nfs/dbraw/zinc/20/36/57/941203657.db2.gz IMHARCRCTZETKS-UHFFFAOYSA-N 1 0 418.589 4.312 20 30 HIEDRO N#Cc1cc2c(nc1N1CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC1)CCC2 ZINC000549814743 941208294 /nfs/dbraw/zinc/20/82/94/941208294.db2.gz NTVSOXDUJZPEEF-UHFFFAOYSA-N 1 0 400.448 4.173 20 30 HIEDRO COC(=O)c1cccc(C[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)c1C#N ZINC000550028660 941268883 /nfs/dbraw/zinc/26/88/83/941268883.db2.gz IAGBJGYSDMQAPL-UHFFFAOYSA-N 1 0 416.880 4.019 20 30 HIEDRO Cc1cc(C#N)cnc1C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000550210955 941298688 /nfs/dbraw/zinc/29/86/88/941298688.db2.gz CTPHVPCIVHRFGF-UHFFFAOYSA-N 1 0 417.340 4.307 20 30 HIEDRO CC(C)(C)c1csc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1C#N ZINC000550717943 941358466 /nfs/dbraw/zinc/35/84/66/941358466.db2.gz WFJFNVIBMGPFMI-UHFFFAOYSA-N 1 0 424.570 4.133 20 30 HIEDRO N#Cc1cccc(C2([NH2+]CC(=O)N3CCc4sccc4[C@@H]3c3ccccc3)CC2)c1 ZINC000551708046 941530589 /nfs/dbraw/zinc/53/05/89/941530589.db2.gz FHURSXYVQDIZEO-DEOSSOPVSA-N 1 0 413.546 4.373 20 30 HIEDRO COCC[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000551723881 941533948 /nfs/dbraw/zinc/53/39/48/941533948.db2.gz URPVVBMACORDSH-SFHVURJKSA-N 1 0 412.361 4.345 20 30 HIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccco1 ZINC000552253446 941614696 /nfs/dbraw/zinc/61/46/96/941614696.db2.gz DBAUWLYFUWTSBW-WIYYLYMNSA-N 1 0 402.560 4.497 20 30 HIEDRO CC(C)(C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1cc(F)cc(C#N)c1 ZINC000552290110 941623465 /nfs/dbraw/zinc/62/34/65/941623465.db2.gz ZFKUEACBJDGRFU-AREMUKBSSA-N 1 0 419.544 4.490 20 30 HIEDRO C[C@@H]1C[C@H](CCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000552372245 941648060 /nfs/dbraw/zinc/64/80/60/941648060.db2.gz ZUHQSJNFTJLDOE-QUCCMNQESA-N 1 0 405.517 4.146 20 30 HIEDRO N#Cc1ccsc1C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000552850251 941787653 /nfs/dbraw/zinc/78/76/53/941787653.db2.gz VFWWHZVRXSOYEM-JOCHJYFZSA-N 1 0 416.550 4.322 20 30 HIEDRO C[N@H+](CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)Cc1ccccc1 ZINC000552861677 941790969 /nfs/dbraw/zinc/79/09/69/941790969.db2.gz ZUMWBXXQCBIKGU-UHFFFAOYSA-N 1 0 424.976 4.066 20 30 HIEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553041753 941823075 /nfs/dbraw/zinc/82/30/75/941823075.db2.gz GTVUMNBJDRRNLV-FQEVSTJZSA-N 1 0 416.997 4.151 20 30 HIEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1 ZINC000553312404 941865654 /nfs/dbraw/zinc/86/56/54/941865654.db2.gz FWQPZFAVMXMZNB-ZCYQVOJMSA-N 1 0 422.475 4.344 20 30 HIEDRO N#Cc1cccc(COc2cccc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)c2)c1 ZINC000553313458 941865938 /nfs/dbraw/zinc/86/59/38/941865938.db2.gz MQBRXGFDXICPGQ-JOCHJYFZSA-N 1 0 421.566 4.293 20 30 HIEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)Cc1ccccc1 ZINC000553394284 941878614 /nfs/dbraw/zinc/87/86/14/941878614.db2.gz KVIUTSXNEFFCJC-QGZVFWFLSA-N 1 0 411.571 4.222 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000554177456 942059045 /nfs/dbraw/zinc/05/90/45/942059045.db2.gz VXQBJPNERXPHFN-AUSIDOKSSA-N 1 0 420.557 4.314 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000554216445 942070552 /nfs/dbraw/zinc/07/05/52/942070552.db2.gz GYAYPFZTSYCHRE-HSZRJFAPSA-N 1 0 411.594 4.417 20 30 HIEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000554399740 942126685 /nfs/dbraw/zinc/12/66/85/942126685.db2.gz JJNQUMPKDCVJIJ-XXBNENTESA-N 1 0 418.541 4.422 20 30 HIEDRO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cccc(OCc4ccccc4C#N)c3)n1)OC2 ZINC000554840676 942278902 /nfs/dbraw/zinc/27/89/02/942278902.db2.gz ZROAFGHNZGFKOB-XUZZJYLKSA-N 1 0 416.481 4.113 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000555241099 942442395 /nfs/dbraw/zinc/44/23/95/942442395.db2.gz YLXNLUHDNBWREC-JOCHJYFZSA-N 1 0 416.573 4.183 20 30 HIEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000555241165 942442490 /nfs/dbraw/zinc/44/24/90/942442490.db2.gz ULDBYKKHCUVBNT-LJQANCHMSA-N 1 0 406.578 4.094 20 30 HIEDRO N#C[C@@H]1CC[C@H]([NH+]2CCC(c3nc(-c4ccccc4Br)no3)CC2)C1 ZINC000555461271 942563098 /nfs/dbraw/zinc/56/30/98/942563098.db2.gz YGFVKRWPQOGEBK-HIFRSBDPSA-N 1 0 401.308 4.371 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCc4sc(Br)cc43)C2=O)cc1 ZINC000556169599 942813378 /nfs/dbraw/zinc/81/33/78/942813378.db2.gz BSANNDHHWJEHLU-JKSUJKDBSA-N 1 0 416.344 4.155 20 30 HIEDRO COc1ccc(C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccc2)cc1OC ZINC000556596793 942909938 /nfs/dbraw/zinc/90/99/38/942909938.db2.gz UFQAACWJBVKJMF-JOCHJYFZSA-N 1 0 412.493 4.297 20 30 HIEDRO COc1cc([C@@H](C)[NH2+]Cc2cnc3ccc(C#N)cn23)ccc1OCc1ccncc1 ZINC000556596332 942910475 /nfs/dbraw/zinc/91/04/75/942910475.db2.gz NSYSODIEGXSIOS-QGZVFWFLSA-N 1 0 413.481 4.039 20 30 HIEDRO CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1cc(F)cc(C#N)c1 ZINC000556920523 942966208 /nfs/dbraw/zinc/96/62/08/942966208.db2.gz MUQPDHGYUOMLJT-ZJSXRUAMSA-N 1 0 419.544 4.488 20 30 HIEDRO CCCC[NH+]1CCC(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000557503393 943173914 /nfs/dbraw/zinc/17/39/14/943173914.db2.gz JYMRAQJZQCEQJB-UHFFFAOYSA-N 1 0 416.997 4.199 20 30 HIEDRO C=CCC[C@@H](NC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccccc1 ZINC000557798682 943294841 /nfs/dbraw/zinc/29/48/41/943294841.db2.gz VRLUFDZIYBLWBL-GBXCKJPGSA-N 1 0 419.569 4.152 20 30 HIEDRO C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(Cc2ccccn2)CC1 ZINC000558988138 943789798 /nfs/dbraw/zinc/78/97/98/943789798.db2.gz RJBIYOVEDMUMHM-QHCPKHFHSA-N 1 0 416.573 4.113 20 30 HIEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000559000720 943797486 /nfs/dbraw/zinc/79/74/86/943797486.db2.gz AXWROXMXBUCZEB-UGKGYDQZSA-N 1 0 409.553 4.037 20 30 HIEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000559003927 943799489 /nfs/dbraw/zinc/79/94/89/943799489.db2.gz JCWOINIKXRDCAB-GGAORHGYSA-N 1 0 405.590 4.207 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000559004123 943799745 /nfs/dbraw/zinc/79/97/45/943799745.db2.gz KVQLJBRLAQEHNA-MOPGFXCFSA-N 1 0 413.541 4.198 20 30 HIEDRO N#Cc1ccc(Oc2ccccc2OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000559302330 943892947 /nfs/dbraw/zinc/89/29/47/943892947.db2.gz GWARGXPWYCHGKS-OAQYLSRUSA-N 1 0 418.468 4.288 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1cccc3c1OCCO3)CCC2 ZINC000559728748 944038042 /nfs/dbraw/zinc/03/80/42/944038042.db2.gz CKEQTYZCZRKXNH-GOSISDBHSA-N 1 0 423.538 4.045 20 30 HIEDRO CCOc1cccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1OC(F)F ZINC000559869000 944070886 /nfs/dbraw/zinc/07/08/86/944070886.db2.gz QDUXGCGPWHCLJC-UHFFFAOYSA-N 1 0 401.457 4.317 20 30 HIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000560997361 944391143 /nfs/dbraw/zinc/39/11/43/944391143.db2.gz BAEINOCRLAUOKV-QFIPXVFZSA-N 1 0 402.542 4.147 20 30 HIEDRO C=CCCO[C@@H](C)C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000561074128 944429315 /nfs/dbraw/zinc/42/93/15/944429315.db2.gz GOWCGFQOLWEFDN-XUZZJYLKSA-N 1 0 407.558 4.056 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@H](CCCOC)c2ccc(Cl)cc2)CC1 ZINC000561536550 944661185 /nfs/dbraw/zinc/66/11/85/944661185.db2.gz MKGIYRSISROXPX-IBGZPJMESA-N 1 0 407.986 4.190 20 30 HIEDRO C=CCOc1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000561552931 944670369 /nfs/dbraw/zinc/67/03/69/944670369.db2.gz AWKVVUWSEPEWNY-NOTZXAQLSA-N 1 0 405.542 4.246 20 30 HIEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccco1 ZINC000562086308 944930395 /nfs/dbraw/zinc/93/03/95/944930395.db2.gz ATXQMJJPANAHBX-CJNGLKHVSA-N 1 0 424.423 4.343 20 30 HIEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000564375334 945539324 /nfs/dbraw/zinc/53/93/24/945539324.db2.gz DCBISSAVAQCWKE-HTAPYJJXSA-N 1 0 404.562 4.154 20 30 HIEDRO CC[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccccc1OCC(=O)N1CCCC1 ZINC000564382413 945545084 /nfs/dbraw/zinc/54/50/84/945545084.db2.gz SRDTZBKAGDCZEP-DHIUTWEWSA-N 1 0 403.526 4.288 20 30 HIEDRO N#Cc1ccc(C[NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)c(C(F)(F)F)c1 ZINC000564526779 945653307 /nfs/dbraw/zinc/65/33/07/945653307.db2.gz ASSVXPWJPSVICK-UHFFFAOYSA-N 1 0 415.459 4.290 20 30 HIEDRO N#Cc1cccc(-n2ccc(-c3nc(-c4ccccc4C[NH+]4CCCCC4)no3)n2)c1 ZINC000564605176 945702215 /nfs/dbraw/zinc/70/22/15/945702215.db2.gz DGDSDYCYGZFEKY-UHFFFAOYSA-N 1 0 410.481 4.447 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000566381572 946014877 /nfs/dbraw/zinc/01/48/77/946014877.db2.gz LUPFQWVCMRRDQN-RYUDHWBXSA-N 1 0 405.470 4.388 20 30 HIEDRO OC[C@@]1(Cc2ccc(F)cc2)CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000567646451 946390675 /nfs/dbraw/zinc/39/06/75/946390675.db2.gz PJFMWZKBINANHJ-OAQYLSRUSA-N 1 0 407.407 4.003 20 30 HIEDRO C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1=O ZINC000569594076 946894407 /nfs/dbraw/zinc/89/44/07/946894407.db2.gz BEBLDQNBPZPVLT-HOYKHHGWSA-N 1 0 420.532 4.008 20 30 HIEDRO N#CC1(c2ccccn2)CCN(CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 ZINC000569710757 946951970 /nfs/dbraw/zinc/95/19/70/946951970.db2.gz XBXJILLGXUQUER-DEOSSOPVSA-N 1 0 420.532 4.126 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](c3ccncc3)C1)CCCCC2 ZINC000569969437 947057923 /nfs/dbraw/zinc/05/79/23/947057923.db2.gz ZUWQDZCHXQEOSP-SFHVURJKSA-N 1 0 408.571 4.492 20 30 HIEDRO CSC1(CNC(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CC[NH+](C)CC1 ZINC000570438922 947248483 /nfs/dbraw/zinc/24/84/83/947248483.db2.gz LMGSCNAOVZQAEO-UHFFFAOYSA-N 1 0 410.543 4.299 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000570671142 947324715 /nfs/dbraw/zinc/32/47/15/947324715.db2.gz UADDOJPLRYSJRS-FPOVZHCZSA-N 1 0 404.432 4.130 20 30 HIEDRO N#Cc1ccc(N2CC[C@H](c3nc(-c4cccc(C[NH+]5CCCC5)c4)no3)C2)c(F)c1 ZINC000571034207 947452417 /nfs/dbraw/zinc/45/24/17/947452417.db2.gz QGHMGGORPDWLMZ-FQEVSTJZSA-N 1 0 417.488 4.337 20 30 HIEDRO COc1cccc([C@H](C[NH2+]C[C@H](C#N)CCC#N)c2c[nH]c3ccccc32)c1OC ZINC000571945721 947818665 /nfs/dbraw/zinc/81/86/65/947818665.db2.gz QASCLVPSGQLBNG-PXNSSMCTSA-N 1 0 402.498 4.350 20 30 HIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)CC2 ZINC000573143625 948087710 /nfs/dbraw/zinc/08/77/10/948087710.db2.gz UJTHASQZHUNKJZ-FGZHOGPDSA-N 1 0 415.459 4.227 20 30 HIEDRO C=CCOc1c(Br)cc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1OC ZINC000573288378 948145956 /nfs/dbraw/zinc/14/59/56/948145956.db2.gz YICUAKWEBQUBIV-WBVHZDCISA-N 1 0 409.368 4.081 20 30 HIEDRO Cn1cc(C[NH2+]Cc2ccncc2OCCC(C)(C)C)c(-c2ccc(C#N)cc2)n1 ZINC000574064716 948356587 /nfs/dbraw/zinc/35/65/87/948356587.db2.gz BGNLXHVNBOCIHA-UHFFFAOYSA-N 1 0 403.530 4.459 20 30 HIEDRO CS(=O)(=O)Cc1cccc(NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)c1 ZINC000328608442 569419422 /nfs/dbraw/zinc/41/94/22/569419422.db2.gz ZATDBYVRNCVQPY-NFBKMPQASA-N 1 0 412.555 4.122 20 30 HIEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc3ccc(C)cc3c(Cl)c1C#N)C2 ZINC001164810225 720206623 /nfs/dbraw/zinc/20/66/23/720206623.db2.gz AOYPYYWJFDZBTD-HOYKHHGWSA-N 1 0 424.976 4.253 20 30 HIEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1c(C#N)c(Cl)nc3cccc(C)c31)C2 ZINC001164811699 720207427 /nfs/dbraw/zinc/20/74/27/720207427.db2.gz JSSHASXSVFVSHS-MHECFPHRSA-N 1 0 424.976 4.253 20 30 HIEDRO Cc1ccc2nc(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c(C#N)c(Cl)c2c1 ZINC001164729027 720489325 /nfs/dbraw/zinc/48/93/25/720489325.db2.gz QRTXCQCKMFWONZ-LEWJYISDSA-N 1 0 403.917 4.317 20 30 HIEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc3c(c1C#N)CCCC3)CC2 ZINC001164842341 720727570 /nfs/dbraw/zinc/72/75/70/720727570.db2.gz YNESEPVQFOQPKN-QFIPXVFZSA-N 1 0 416.569 4.092 20 30 HIEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)[C@@H]2C ZINC001164861357 720927706 /nfs/dbraw/zinc/92/77/06/720927706.db2.gz SVKIJKUMGRASNW-QGZVFWFLSA-N 1 0 418.520 4.377 20 30 HIEDRO C=CCOCc1nn(C)c2c1CN(c1ccc([C@H]3CCCC[N@H+]3CCC)cn1)CC2 ZINC001164790296 721446903 /nfs/dbraw/zinc/44/69/03/721446903.db2.gz XXUUVMZUKNFKCL-JOCHJYFZSA-N 1 0 409.578 4.017 20 30 HIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(Cl)c3C#N)C[C@@H]21 ZINC001165028951 721830017 /nfs/dbraw/zinc/83/00/17/721830017.db2.gz WAIBVYBOIRTFAW-DKSSEZFCSA-N 1 0 416.356 4.392 20 30 HIEDRO N#CC1(c2ccc(N3CCC[C@@]4(CC[N@H+]4Cc4cccc(F)c4)C3)nc2)CCOCC1 ZINC001164996611 722206839 /nfs/dbraw/zinc/20/68/39/722206839.db2.gz UJNKGIZPCHHOEA-RUZDIDTESA-N 1 0 420.532 4.037 20 30 HIEDRO COC(=O)c1c(C)[nH]c(C(=O)C(C(=S)Nc2cccc(C)c2)[n+]2ccccc2)c1C ZINC000010167430 845625952 /nfs/dbraw/zinc/62/59/52/845625952.db2.gz SOOOFGDUVWEYOW-UHFFFAOYSA-O 1 0 422.530 4.065 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccc(F)cc2)[n+]2cccc(CO)c2)c(C)s1 ZINC000010830006 845712620 /nfs/dbraw/zinc/71/26/20/845712620.db2.gz LOLQZCLXHRQRBL-UHFFFAOYSA-O 1 0 415.535 4.335 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000436303528 861606399 /nfs/dbraw/zinc/60/63/99/861606399.db2.gz CTQPWEAUHFMIQQ-WTOYTKOKSA-N 1 0 421.509 4.029 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=S)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000017517665 846256093 /nfs/dbraw/zinc/25/60/93/846256093.db2.gz UENKZPNCLRMCJX-UHFFFAOYSA-N 1 0 402.926 4.255 20 30 HIEDRO Cc1ccc(C)c(C(=O)C(C(=S)NC[C@H]2CCCO2)[n+]2ccc3c(c2)CCCC3)c1 ZINC000022691598 846604276 /nfs/dbraw/zinc/60/42/76/846604276.db2.gz CIWSBRASPMHTAB-OAQYLSRUSA-O 1 0 423.602 4.177 20 30 HIEDRO CCCc1cc[n+](C(C(=O)c2ccc(C)s2)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000022692165 846605285 /nfs/dbraw/zinc/60/52/85/846605285.db2.gz QCTPHIUGQHNTOW-KRWDZBQOSA-O 1 0 403.593 4.004 20 30 HIEDRO Cc1ccc(C(=O)C(C(=S)Nc2ccccc2F)[n+]2cccc(CO)c2)s1 ZINC000022726976 846610602 /nfs/dbraw/zinc/61/06/02/846610602.db2.gz LXJCSONPJOGFJQ-UHFFFAOYSA-O 1 0 401.508 4.026 20 30 HIEDRO Cc1ccc[n+](C(C(=O)c2ccc(F)c(F)c2)C(=S)NCCc2ccccc2)c1 ZINC000022735389 846611721 /nfs/dbraw/zinc/61/17/21/846611721.db2.gz PLHOPEKQCLTPRU-UHFFFAOYSA-O 1 0 411.497 4.332 20 30 HIEDRO CNC(=S)C(C(=O)c1ccc(Cl)s1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022734036 846611805 /nfs/dbraw/zinc/61/18/05/846611805.db2.gz WLJNPPUHDOXOOW-UHFFFAOYSA-O 1 0 401.964 4.438 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2ccc(OC)cc2)C(=S)NCCc2ccccc2)cc1 ZINC000022791424 846620748 /nfs/dbraw/zinc/62/07/48/846620748.db2.gz OJOUGGZZUXAEEX-UHFFFAOYSA-O 1 0 419.570 4.316 20 30 HIEDRO CCCc1cc[n+](C(C(=O)c2ccc(C(C)(C)C)cc2)C(=S)NCCOC)cc1 ZINC000022793171 846621889 /nfs/dbraw/zinc/62/18/89/846621889.db2.gz DSILEHMPHWSRKA-UHFFFAOYSA-O 1 0 413.607 4.399 20 30 HIEDRO CCCNC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000022803598 846622600 /nfs/dbraw/zinc/62/26/00/846622600.db2.gz ADCUSUWQXWVODI-UHFFFAOYSA-O 1 0 400.524 4.118 20 30 HIEDRO COc1ccc(CCNC(=S)C(C(=O)c2ccc(C)cc2)[n+]2ccccc2)cc1 ZINC000022801751 846623077 /nfs/dbraw/zinc/62/30/77/846623077.db2.gz GLCXMKHPDPJIST-UHFFFAOYSA-O 1 0 405.543 4.062 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(CCc3ccc(O)cc3)CC1)CCC2 ZINC000025937556 847059553 /nfs/dbraw/zinc/05/95/53/847059553.db2.gz SAKVFFRARXGYKS-UHFFFAOYSA-N 1 0 423.582 4.487 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccccc1[N+](=O)[O-] ZINC000026347086 847130468 /nfs/dbraw/zinc/13/04/68/847130468.db2.gz GYLHOWYQXWDEHW-UHFFFAOYSA-N 1 0 412.515 4.257 20 30 HIEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000027147145 847255995 /nfs/dbraw/zinc/25/59/95/847255995.db2.gz MXGVYECIDUVBEU-UHFFFAOYSA-N 1 0 408.571 4.324 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1sc2ccccc2c1C)[n+]1cccc(CO)c1 ZINC000027310190 847281600 /nfs/dbraw/zinc/28/16/00/847281600.db2.gz XTFACSZRKXCDBC-UHFFFAOYSA-O 1 0 411.572 4.094 20 30 HIEDRO C[C@H](C(=O)Nc1cccc2ccccc21)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028961453 847484531 /nfs/dbraw/zinc/48/45/31/847484531.db2.gz RWOBDEWBFSPFHU-HXUWFJFHSA-N 1 0 412.537 4.246 20 30 HIEDRO C=CCOc1ccccc1CN(C(=O)C[N@@H+](CC)C1CC1)c1ccc2c(c1)OCCO2 ZINC000029912997 847649413 /nfs/dbraw/zinc/64/94/13/847649413.db2.gz IVLSINAKXNCCGQ-UHFFFAOYSA-N 1 0 422.525 4.040 20 30 HIEDRO CCOc1ccc([C@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000030537108 847731896 /nfs/dbraw/zinc/73/18/96/847731896.db2.gz GYIHVPJFGGOEFW-RCZVLFRGSA-N 1 0 402.494 4.076 20 30 HIEDRO COc1c(Br)cc(Br)cc1C[NH2+]Cc1cccc(C#N)c1 ZINC000037501698 848173986 /nfs/dbraw/zinc/17/39/86/848173986.db2.gz OVXMZVBCUPXHIY-UHFFFAOYSA-N 1 0 410.109 4.382 20 30 HIEDRO CCc1cccc(CC)c1NC(=O)[C@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000042643474 848338465 /nfs/dbraw/zinc/33/84/65/848338465.db2.gz XLKKVUQBHMUYQC-FQEVSTJZSA-N 1 0 418.585 4.218 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1c(C)cccc1C(=O)N1CCCC1)C(C)C ZINC000044142051 848520417 /nfs/dbraw/zinc/52/04/17/848520417.db2.gz MRGQRWHKSWFONI-OAQYLSRUSA-N 1 0 412.578 4.051 20 30 HIEDRO Cc1ccc(-c2nc(C)c(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)s2)o1 ZINC000044566531 848571467 /nfs/dbraw/zinc/57/14/67/848571467.db2.gz GLZSFAJHQNYJRH-UHFFFAOYSA-N 1 0 408.527 4.096 20 30 HIEDRO CC(C)Oc1ccccc1[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000046648790 848898198 /nfs/dbraw/zinc/89/81/98/848898198.db2.gz UZQHREVZGFDUHQ-IBGZPJMESA-N 1 0 408.546 4.180 20 30 HIEDRO Cc1cc(OC(C)C)ccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000048121453 849171344 /nfs/dbraw/zinc/17/13/44/849171344.db2.gz WYDFJAZWFYPOTM-UHFFFAOYSA-N 1 0 406.530 4.394 20 30 HIEDRO CC(C)C[NH+]1CCC(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000048125797 849173729 /nfs/dbraw/zinc/17/37/29/849173729.db2.gz MEVMVAKWSBZTLN-UHFFFAOYSA-N 1 0 419.529 4.052 20 30 HIEDRO CC(C)COC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000054325896 849848804 /nfs/dbraw/zinc/84/88/04/849848804.db2.gz JIOLBIJTOUFRFV-MRXNPFEDSA-N 1 0 403.592 4.210 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000056153334 850258025 /nfs/dbraw/zinc/25/80/25/850258025.db2.gz NQXOSUWNRBWRLN-ROUUACIJSA-N 1 0 412.493 4.488 20 30 HIEDRO COc1cc(C)c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000056153929 850258417 /nfs/dbraw/zinc/25/84/17/850258417.db2.gz IGTCAOBOQAHZPH-KBPBESRZSA-N 1 0 401.894 4.215 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153331 850258816 /nfs/dbraw/zinc/25/88/16/850258816.db2.gz PLDKFVBYHYOFLW-MSOLQXFVSA-N 1 0 412.493 4.488 20 30 HIEDRO COc1ccccc1[C@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000056931995 850518498 /nfs/dbraw/zinc/51/84/98/850518498.db2.gz ZQDZYPOMEDFFSQ-AVRDEDQJSA-N 1 0 406.530 4.154 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc3c(c1)OCCO3)CCC2 ZINC000058490828 850837876 /nfs/dbraw/zinc/83/78/76/850837876.db2.gz UIBBUZLYORUIBO-GOSISDBHSA-N 1 0 423.538 4.045 20 30 HIEDRO N#Cc1ccc(CSCC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000060220918 851052885 /nfs/dbraw/zinc/05/28/85/851052885.db2.gz PTIKXYVOIPVWMK-UHFFFAOYSA-N 1 0 411.596 4.021 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000063400806 851679022 /nfs/dbraw/zinc/67/90/22/851679022.db2.gz WKXVBQKMTRTEQI-UHFFFAOYSA-N 1 0 408.502 4.088 20 30 HIEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc([N+](=O)[O-])cc1 ZINC000063560022 851714102 /nfs/dbraw/zinc/71/41/02/851714102.db2.gz ARZUAXJGGIPMRE-UHFFFAOYSA-N 1 0 412.515 4.256 20 30 HIEDRO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c(OC)c1 ZINC000063750469 851754733 /nfs/dbraw/zinc/75/47/33/851754733.db2.gz ILKKVCRDMBPYGX-HSZRJFAPSA-N 1 0 421.541 4.150 20 30 HIEDRO COc1ccc(C[NH2+]CCc2ccccc2Br)cc1OCCCC#N ZINC000064614614 851941688 /nfs/dbraw/zinc/94/16/88/851941688.db2.gz MGCVDCVDZSGSHJ-UHFFFAOYSA-N 1 0 403.320 4.473 20 30 HIEDRO COc1ccc(C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)cc1OCCCC#N ZINC000064614484 851941701 /nfs/dbraw/zinc/94/17/01/851941701.db2.gz MJUJTQCPCSXVSI-XMMPIXPASA-N 1 0 408.498 4.390 20 30 HIEDRO N#Cc1cc(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)ccc1OCC(F)(F)F ZINC000065409278 852122575 /nfs/dbraw/zinc/12/25/75/852122575.db2.gz PEALCDAOYPFBEF-UHFFFAOYSA-N 1 0 424.467 4.229 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000065892514 852306589 /nfs/dbraw/zinc/30/65/89/852306589.db2.gz ANWKRTZQSHLZAR-UHFFFAOYSA-N 1 0 417.553 4.352 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc(-c2ccccc2F)n1 ZINC000065930163 852320330 /nfs/dbraw/zinc/32/03/30/852320330.db2.gz GNEVETWKCBFSQM-UHFFFAOYSA-N 1 0 408.502 4.025 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCSc1ccc(Cl)cc1 ZINC000065931297 852321997 /nfs/dbraw/zinc/32/19/97/852321997.db2.gz WJJMNESZPXWYTC-UHFFFAOYSA-N 1 0 401.963 4.284 20 30 HIEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000097359731 852604823 /nfs/dbraw/zinc/60/48/23/852604823.db2.gz ZKAIQGOTJPUFDO-UHFFFAOYSA-N 1 0 417.475 4.397 20 30 HIEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 ZINC000105423653 852704721 /nfs/dbraw/zinc/70/47/21/852704721.db2.gz WGMYXRWUNCFYSY-FQEVSTJZSA-N 1 0 413.905 4.395 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(OCc2ccccc2)cc1 ZINC000107653011 852784325 /nfs/dbraw/zinc/78/43/25/852784325.db2.gz SSGLYFXYZDAPRK-UHFFFAOYSA-N 1 0 413.521 4.341 20 30 HIEDRO Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccccc1OCC[NH+](C)C ZINC000109141252 852926842 /nfs/dbraw/zinc/92/68/42/852926842.db2.gz GNFYNBQKKUINKB-UHFFFAOYSA-N 1 0 416.481 4.247 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NCc2nc3c(s2)C[N@H+](C(C)C)CC3)cc1 ZINC000437232081 862435273 /nfs/dbraw/zinc/43/52/73/862435273.db2.gz AHLOWCAAKHTWEW-UHFFFAOYSA-N 1 0 410.587 4.336 20 30 HIEDRO CCCCN(C(=O)CCc1c(C)nn(CCC#N)c1C)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000111024256 853189051 /nfs/dbraw/zinc/18/90/51/853189051.db2.gz UZGJCJNOKYQHHQ-UHFFFAOYSA-N 1 0 415.626 4.284 20 30 HIEDRO CC(C)C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@H](O)c1ccc(F)cc1 ZINC000112654578 853236542 /nfs/dbraw/zinc/23/65/42/853236542.db2.gz VVZGOLHQNKKXIJ-NRFANRHFSA-N 1 0 417.912 4.371 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000116729808 853330563 /nfs/dbraw/zinc/33/05/63/853330563.db2.gz ULUBVVCVCPOYAL-QFIPXVFZSA-N 1 0 422.573 4.049 20 30 HIEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000138761313 853395339 /nfs/dbraw/zinc/39/53/39/853395339.db2.gz ZLUZKYCMIAJBKF-UHFFFAOYSA-N 1 0 407.518 4.050 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)ccc1OC ZINC000142956588 853504897 /nfs/dbraw/zinc/50/48/97/853504897.db2.gz HYXSAUJDXLWJQF-JOCHJYFZSA-N 1 0 410.514 4.057 20 30 HIEDRO C=CCOc1ccc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)cc1OC ZINC000147382697 853587625 /nfs/dbraw/zinc/58/76/25/853587625.db2.gz UTHUWBRYGUOOBU-UHFFFAOYSA-N 1 0 412.555 4.370 20 30 HIEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@@H](C)c1cccs1)[n+]1ccc(C)cc1 ZINC000186966110 853669150 /nfs/dbraw/zinc/66/91/50/853669150.db2.gz WJOYOAAFAWQESL-ZDUSSCGKSA-O 1 0 400.549 4.238 20 30 HIEDRO C[C@@H](Cc1ccccc1)NC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccccc1 ZINC000191699262 853669243 /nfs/dbraw/zinc/66/92/43/853669243.db2.gz XQUDRJIJDMJYIH-SFHVURJKSA-O 1 0 400.527 4.005 20 30 HIEDRO COc1ccc(C[N@H+](CC(=O)Nc2sccc2C#N)C2CCCCC2)cc1OC ZINC000195732993 853784007 /nfs/dbraw/zinc/78/40/07/853784007.db2.gz MHOCQSGVKPMNKM-UHFFFAOYSA-N 1 0 413.543 4.410 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(c3cccc(Br)c3)CCCC2)CC1 ZINC000216943451 853859414 /nfs/dbraw/zinc/85/94/14/853859414.db2.gz RCSFTPPMBAKZQZ-UHFFFAOYSA-N 1 0 405.380 4.418 20 30 HIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1Cl ZINC000236677969 853910560 /nfs/dbraw/zinc/91/05/60/853910560.db2.gz XFSPQXOCKFMACC-UHFFFAOYSA-N 1 0 422.978 4.224 20 30 HIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000237210746 853983115 /nfs/dbraw/zinc/98/31/15/853983115.db2.gz XPETWQGMYPGORP-IBGZPJMESA-N 1 0 414.500 4.396 20 30 HIEDRO COc1ccc(C[NH2+]Cc2ccnc(N3CCCCCC3)c2)cc1OCCCC#N ZINC000237267567 853994228 /nfs/dbraw/zinc/99/42/28/853994228.db2.gz XQWZFJZRDWWUPU-UHFFFAOYSA-N 1 0 408.546 4.443 20 30 HIEDRO C=CCc1cc(C[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc(OC)c1O ZINC000237361568 854013917 /nfs/dbraw/zinc/01/39/17/854013917.db2.gz PKBZRLXMGIABRP-UHFFFAOYSA-N 1 0 421.463 4.302 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl ZINC000237511335 854048524 /nfs/dbraw/zinc/04/85/24/854048524.db2.gz BEFSWOXDJRSDPL-OAHLLOKOSA-N 1 0 408.951 4.006 20 30 HIEDRO COc1cccc(N2CC[C@@H](C[NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)C2)c1 ZINC000237515139 854048844 /nfs/dbraw/zinc/04/88/44/854048844.db2.gz DTLMBKFWPUIJQB-FQEVSTJZSA-N 1 0 415.541 4.088 20 30 HIEDRO N#Cc1cc(NC[C@H]2CCC[N@H+](Cc3cccs3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000301411028 854386532 /nfs/dbraw/zinc/38/65/32/854386532.db2.gz PAICDSFCIICNHY-OAHLLOKOSA-N 1 0 407.499 4.400 20 30 HIEDRO COc1ccccc1[C@H](CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[NH+]1CCCC1 ZINC000301542553 854416977 /nfs/dbraw/zinc/41/69/77/854416977.db2.gz SMYBYMATFYTBSH-NRFANRHFSA-N 1 0 417.469 4.272 20 30 HIEDRO C=CCOc1ccc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000302888306 854667086 /nfs/dbraw/zinc/66/70/86/854667086.db2.gz JPAVVJKPVOKRGF-UHFFFAOYSA-N 1 0 414.933 4.308 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)COc2ccc3ccccc3c2Br)CC1 ZINC000303243654 854832762 /nfs/dbraw/zinc/83/27/62/854832762.db2.gz CVJLRLGDGFKBNK-UHFFFAOYSA-N 1 0 417.347 4.138 20 30 HIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000303331670 854876080 /nfs/dbraw/zinc/87/60/80/854876080.db2.gz BSPXAIZRUKAKJW-UHFFFAOYSA-N 1 0 406.313 4.078 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000303381424 854902080 /nfs/dbraw/zinc/90/20/80/854902080.db2.gz XNVRWALLHRSUMC-QHCPKHFHSA-N 1 0 411.521 4.263 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000303435160 854935319 /nfs/dbraw/zinc/93/53/19/854935319.db2.gz GSVMYPJNBGEPJG-SFTDATJTSA-N 1 0 415.459 4.271 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000303502842 854990775 /nfs/dbraw/zinc/99/07/75/854990775.db2.gz VIEACYBVDNTPNW-UXHICEINSA-N 1 0 422.598 4.226 20 30 HIEDRO C=CCOc1ccccc1CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000303518273 855006791 /nfs/dbraw/zinc/00/67/91/855006791.db2.gz YKPABVUWKDJFKQ-NOTZXAQLSA-N 1 0 405.542 4.246 20 30 HIEDRO Cc1ccc(C[NH+]=C(NCc2ccc(C(=O)N(C)C)cc2)Nc2ccccc2)cc1 ZINC000303769500 855188022 /nfs/dbraw/zinc/18/80/22/855188022.db2.gz BBFWYMCOGTYZFP-UHFFFAOYSA-N 1 0 400.526 4.455 20 30 HIEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000303844800 855242119 /nfs/dbraw/zinc/24/21/19/855242119.db2.gz NMEVDWPXSFXECM-SFHVURJKSA-N 1 0 422.460 4.014 20 30 HIEDRO [NH2+]=C(NCc1ccc(OCc2ccccn2)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303882517 855268227 /nfs/dbraw/zinc/26/82/27/855268227.db2.gz IDKUWRYQANIWMA-UHFFFAOYSA-N 1 0 416.403 4.486 20 30 HIEDRO CCc1ccc(NC(=[NH2+])NCc2ccccc2-c2ccc(Cn3cncn3)cc2)cc1 ZINC000303882386 855268556 /nfs/dbraw/zinc/26/85/56/855268556.db2.gz LKJHEOZGOHAYRF-UHFFFAOYSA-N 1 0 410.525 4.483 20 30 HIEDRO Cc1cc(C)cc(NC(=[NH2+])NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000303891928 855272532 /nfs/dbraw/zinc/27/25/32/855272532.db2.gz RATWWDGOTQEZAI-UHFFFAOYSA-N 1 0 406.452 4.086 20 30 HIEDRO CCc1cccc(NC(=[NH2+])NCCCN(Cc2cccnc2)C(=O)OC(C)(C)C)c1 ZINC000303898929 855276527 /nfs/dbraw/zinc/27/65/27/855276527.db2.gz RKNODCJUJXWVFZ-UHFFFAOYSA-N 1 0 411.550 4.198 20 30 HIEDRO COc1ccc(CNC(=[NH2+])NCC(C)(C)c2cccc(C(F)(F)F)c2)cc1OC ZINC000303980065 855334545 /nfs/dbraw/zinc/33/45/45/855334545.db2.gz NUBYAXUKMGOAHR-UHFFFAOYSA-N 1 0 409.452 4.105 20 30 HIEDRO CCc1cccc(NC(=[NH2+])NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 ZINC000303986099 855337021 /nfs/dbraw/zinc/33/70/21/855337021.db2.gz UDBOQPIKTBIELG-HXUWFJFHSA-N 1 0 420.479 4.068 20 30 HIEDRO CCCOc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)c(OC(F)F)c1 ZINC000305107380 855360208 /nfs/dbraw/zinc/36/02/08/855360208.db2.gz ZTHBEJNAHCMVGC-KRWDZBQOSA-N 1 0 405.445 4.005 20 30 HIEDRO COc1ccc(C[C@@H](C)CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1OC ZINC000305693362 855361085 /nfs/dbraw/zinc/36/10/85/855361085.db2.gz QWIVEKHZJHLFEH-CYBMUJFWSA-N 1 0 411.424 4.208 20 30 HIEDRO C[C@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)c1nc(-c2ccccc2)no1 ZINC000305670087 855361154 /nfs/dbraw/zinc/36/11/54/855361154.db2.gz WPIVPZYQJZOEDG-GFCCVEGCSA-N 1 0 405.380 4.166 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CC[N@@H+](CCC)C1 ZINC000409572835 855546560 /nfs/dbraw/zinc/54/65/60/855546560.db2.gz CTAQXWMPGYHVFS-HNNXBMFYSA-N 1 0 412.347 4.018 20 30 HIEDRO C[C@@H]([NH2+]C1(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CCCC1)c1ccccc1 ZINC000409679598 855597995 /nfs/dbraw/zinc/59/79/95/855597995.db2.gz HTCSRVDSGPRHGN-LJQANCHMSA-N 1 0 413.525 4.137 20 30 HIEDRO C[N@H+](CCCC1(C#N)CCOCC1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000410315986 855924848 /nfs/dbraw/zinc/92/48/48/855924848.db2.gz YAKQULARFRCKOB-UHFFFAOYSA-N 1 0 417.859 4.330 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000426044789 856069500 /nfs/dbraw/zinc/06/95/00/856069500.db2.gz MTOFOGQWUTXLAX-GOSISDBHSA-N 1 0 416.978 4.424 20 30 HIEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)Nc2ccc(C#N)cc2Cl)cc1 ZINC000426131812 856128759 /nfs/dbraw/zinc/12/87/59/856128759.db2.gz STHPPDXNCTWCPL-UHFFFAOYSA-N 1 0 400.910 4.254 20 30 HIEDRO Cc1sc(NC(=O)CN2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(C#N)c1C ZINC000426445615 856295080 /nfs/dbraw/zinc/29/50/80/856295080.db2.gz NPRZWQLHIKMKTG-DEOSSOPVSA-N 1 0 422.598 4.163 20 30 HIEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426849749 856511918 /nfs/dbraw/zinc/51/19/18/856511918.db2.gz VZQWZPXDRWDOAB-JOCHJYFZSA-N 1 0 405.889 4.052 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1cc(C)c(F)c(C)c1 ZINC000427126209 856655330 /nfs/dbraw/zinc/65/53/30/856655330.db2.gz LXGRAUHTFVRFCL-UHFFFAOYSA-N 1 0 416.566 4.223 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H]3CCCc4ncc(C(F)(F)F)cc43)C2=O)cc1 ZINC000427884304 856993359 /nfs/dbraw/zinc/99/33/59/856993359.db2.gz HUCWJIBSWFCDHQ-VQTJNVASSA-N 1 0 414.431 4.135 20 30 HIEDRO C[C@H]1C[C@H](NC(=O)NCCSCc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000428258086 857129530 /nfs/dbraw/zinc/12/95/30/857129530.db2.gz DGJATRNFAJOECV-WMZHIEFXSA-N 1 0 422.598 4.144 20 30 HIEDRO C[C@@H]1C[C@H](NC(=O)NCCSCc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000428258078 857129931 /nfs/dbraw/zinc/12/99/31/857129931.db2.gz DGJATRNFAJOECV-AUSIDOKSSA-N 1 0 422.598 4.144 20 30 HIEDRO N#Cc1c(F)cccc1CN1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000428348666 857165098 /nfs/dbraw/zinc/16/50/98/857165098.db2.gz UIXPBVQINAIAFW-UHFFFAOYSA-N 1 0 408.395 4.166 20 30 HIEDRO C=CC[N@@H+](C)Cc1ccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)c(OCC)c1 ZINC000428392023 857187985 /nfs/dbraw/zinc/18/79/85/857187985.db2.gz SDLABEJQLVEBRM-UHFFFAOYSA-N 1 0 414.458 4.057 20 30 HIEDRO C=C(C)COc1cc(CNC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000428546603 857255930 /nfs/dbraw/zinc/25/59/30/857255930.db2.gz KYRLEMGUNLGKIE-HSZRJFAPSA-N 1 0 410.558 4.031 20 30 HIEDRO N#Cc1cnc2c(F)cc(F)cc2c1NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428666199 857293094 /nfs/dbraw/zinc/29/30/94/857293094.db2.gz GXJMEZZKRXYAFJ-LJQANCHMSA-N 1 0 408.452 4.088 20 30 HIEDRO CCN(C[C@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1)CC(F)(F)F ZINC000437584811 862899392 /nfs/dbraw/zinc/89/93/92/862899392.db2.gz YIMLRFDXJBOVBS-MRXNPFEDSA-N 1 0 408.386 4.143 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000428927858 857420926 /nfs/dbraw/zinc/42/09/26/857420926.db2.gz XDOOOLBLTDVIMN-UHFFFAOYSA-N 1 0 407.514 4.412 20 30 HIEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C#N)ccc1OC(C)C ZINC000429048842 857475916 /nfs/dbraw/zinc/47/59/16/857475916.db2.gz UATVZPDMLDMIBZ-NRFANRHFSA-N 1 0 421.545 4.259 20 30 HIEDRO C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC[N@@H+](C2CCC2)C1 ZINC000429396922 857641632 /nfs/dbraw/zinc/64/16/32/857641632.db2.gz XTWLKMMSURGLIH-QGZVFWFLSA-N 1 0 414.619 4.023 20 30 HIEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429408802 857649782 /nfs/dbraw/zinc/64/97/82/857649782.db2.gz NTENFYKWIXJFKA-WSXQUGQNSA-N 1 0 406.368 4.105 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)CC1 ZINC000429514932 857709646 /nfs/dbraw/zinc/70/96/46/857709646.db2.gz FDKVJANCWQQTLB-UHFFFAOYSA-N 1 0 422.360 4.400 20 30 HIEDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 ZINC000429785718 857883730 /nfs/dbraw/zinc/88/37/30/857883730.db2.gz RUXUPKGNBXKWLO-UHFFFAOYSA-N 1 0 407.562 4.048 20 30 HIEDRO COc1ccc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1OCc1ccccc1 ZINC000430178766 858068658 /nfs/dbraw/zinc/06/86/58/858068658.db2.gz NBELRNAUZAMWKG-QFIPXVFZSA-N 1 0 415.493 4.194 20 30 HIEDRO Cc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc(C)c1OCc1ccccn1 ZINC000430183485 858070362 /nfs/dbraw/zinc/07/03/62/858070362.db2.gz CVEHVJBGKPTPTI-QHCPKHFHSA-N 1 0 414.509 4.197 20 30 HIEDRO C[C@H]1C[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000430652266 858249656 /nfs/dbraw/zinc/24/96/56/858249656.db2.gz HLTFXYFUKOAUEK-REWPJTCUSA-N 1 0 405.542 4.277 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCC2(CC#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000430719169 858277916 /nfs/dbraw/zinc/27/79/16/858277916.db2.gz YTZUMIGLHZOEMU-SJLPKXTDSA-N 1 0 408.468 4.081 20 30 HIEDRO C=CCN1C(=O)N(Cc2ccc(C[NH+](CC)CC)cc2)C(=O)[C@H]1Cc1ccccc1 ZINC000430769904 858297873 /nfs/dbraw/zinc/29/78/73/858297873.db2.gz ZAUUBZMXYDZYJT-HSZRJFAPSA-N 1 0 405.542 4.090 20 30 HIEDRO C=CCN1C(=O)N(C[C@H]2CCC[N@H+](Cc3cccs3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431165825 858481876 /nfs/dbraw/zinc/48/18/76/858481876.db2.gz HHAUWKQEGWDOJA-RBBKRZOGSA-N 1 0 423.582 4.022 20 30 HIEDRO N#CCC1(CNC(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000431198820 858499562 /nfs/dbraw/zinc/49/95/62/858499562.db2.gz VMUGWTKICHGMRR-UHFFFAOYSA-N 1 0 409.361 4.295 20 30 HIEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000431452126 858623737 /nfs/dbraw/zinc/62/37/37/858623737.db2.gz MFSLZXYGFJARKK-WMZHIEFXSA-N 1 0 405.546 4.341 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431673270 858730209 /nfs/dbraw/zinc/73/02/09/858730209.db2.gz MHQIMYWLYPUWCB-REWPJTCUSA-N 1 0 407.558 4.446 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)NC3CC([NH+]4CCCCC4)C3)cc2F)c1 ZINC000432081542 858975452 /nfs/dbraw/zinc/97/54/52/858975452.db2.gz YNYYRXYDUKKJKK-UHFFFAOYSA-N 1 0 422.504 4.415 20 30 HIEDRO N#CCCC[C@@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000433010567 859476422 /nfs/dbraw/zinc/47/64/22/859476422.db2.gz CNCRIWRSOAOMKY-UYAOXDASSA-N 1 0 403.320 4.214 20 30 HIEDRO N#CCCC[C@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000433029194 859488285 /nfs/dbraw/zinc/48/82/85/859488285.db2.gz RHMHSAWZFOUNJG-IBGZPJMESA-N 1 0 421.360 4.248 20 30 HIEDRO N#CCCn1cc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)c(-c2ccncc2)n1 ZINC000433310759 859632815 /nfs/dbraw/zinc/63/28/15/859632815.db2.gz DRABEILXQOJBKD-HXUWFJFHSA-N 1 0 420.948 4.271 20 30 HIEDRO C[N@@H+]1CC[C@H](CNC(=O)[C@H](C#N)CCc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433361283 859660345 /nfs/dbraw/zinc/66/03/45/859660345.db2.gz CGYDKQVIEORBLJ-JQVVWYNYSA-N 1 0 413.924 4.361 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)CC1 ZINC000433669618 859831982 /nfs/dbraw/zinc/83/19/82/859831982.db2.gz LCMFXCIKGQJCIY-UHFFFAOYSA-N 1 0 422.316 4.348 20 30 HIEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000434348159 860304515 /nfs/dbraw/zinc/30/45/15/860304515.db2.gz DKIYWGYVYYIWBA-DEOSSOPVSA-N 1 0 420.532 4.426 20 30 HIEDRO COc1ccc2[nH]cc(C3=CCN([C@@H]4CCN(c5sccc5C#N)C4=O)CC3)c2c1 ZINC000434836739 860514601 /nfs/dbraw/zinc/51/46/01/860514601.db2.gz PGURMCPWHLLBQE-OAQYLSRUSA-N 1 0 418.522 4.004 20 30 HIEDRO COC(=O)[C@@H](NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(C#N)c1 ZINC000434871027 860529216 /nfs/dbraw/zinc/52/92/16/860529216.db2.gz UVAZZMRFRNITBQ-GLDPYIMESA-N 1 0 405.542 4.040 20 30 HIEDRO N#CCCn1cc(C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)c(-c2ccncc2)n1 ZINC000435124286 860651731 /nfs/dbraw/zinc/65/17/31/860651731.db2.gz NVMMIWXQSGULEN-HSZRJFAPSA-N 1 0 401.514 4.040 20 30 HIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NCc1cn(CCC#N)nc1-c1ccncc1 ZINC000435129230 860654401 /nfs/dbraw/zinc/65/44/01/860654401.db2.gz LXHNTDALLZXIRP-UHFFFAOYSA-N 1 0 400.530 4.375 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(Cc3cccc(F)c3)CC2)c(-c2ccncc2)n1 ZINC000435137631 860659291 /nfs/dbraw/zinc/65/92/91/860659291.db2.gz MZPNTNMAENYBMN-UHFFFAOYSA-N 1 0 403.505 4.453 20 30 HIEDRO N#CCSc1cccc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000435366315 860765298 /nfs/dbraw/zinc/76/52/98/860765298.db2.gz LBFTZXUGYWTACY-HXUWFJFHSA-N 1 0 417.538 4.198 20 30 HIEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 ZINC000435558284 860878429 /nfs/dbraw/zinc/87/84/29/860878429.db2.gz VNLKYRDUTQIGNC-UHFFFAOYSA-N 1 0 406.530 4.440 20 30 HIEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)c2ccc(C#N)cc2)C1 ZINC000435562322 860883958 /nfs/dbraw/zinc/88/39/58/860883958.db2.gz DQNFLWOWKZMLNL-SFHVURJKSA-N 1 0 400.526 4.157 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000435739244 861020703 /nfs/dbraw/zinc/02/07/03/861020703.db2.gz FQMJWGLRVFGYAU-JPYJTQIMSA-N 1 0 412.486 4.253 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000435752015 861031447 /nfs/dbraw/zinc/03/14/47/861031447.db2.gz VMTZVXLYWGXONG-ABAIWWIYSA-N 1 0 419.157 4.291 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000435890098 861145918 /nfs/dbraw/zinc/14/59/18/861145918.db2.gz XPDINRQDRZFSGS-HOTGVXAUSA-N 1 0 400.320 4.435 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000437825421 863170848 /nfs/dbraw/zinc/17/08/48/863170848.db2.gz ACIISJZDCWMIPA-NRFANRHFSA-N 1 0 406.530 4.333 20 30 HIEDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[N@@H+]1C ZINC000437897264 863268386 /nfs/dbraw/zinc/26/83/86/863268386.db2.gz NNIWXKLLIPURKR-WIYYLYMNSA-N 1 0 406.530 4.278 20 30 HIEDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000437958489 863330591 /nfs/dbraw/zinc/33/05/91/863330591.db2.gz BFURCJWIZYXOKW-OAHLLOKOSA-N 1 0 400.910 4.252 20 30 HIEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000437968444 863337946 /nfs/dbraw/zinc/33/79/46/863337946.db2.gz DKVMPPSMDUEVMF-SFHVURJKSA-N 1 0 414.456 4.145 20 30 HIEDRO Cc1nccn1CCCCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000437992290 863354433 /nfs/dbraw/zinc/35/44/33/863354433.db2.gz ZPWVIHNJHAXEAN-UHFFFAOYSA-N 1 0 421.476 4.383 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](c2cccc(Cl)c2)C1 ZINC000438453040 863877385 /nfs/dbraw/zinc/87/73/85/863877385.db2.gz YKSDABYSRQYSGR-AQYVVDRMSA-N 1 0 410.949 4.231 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000438468328 863888333 /nfs/dbraw/zinc/88/83/33/863888333.db2.gz JLUKKKHCPRBGDN-UHFFFAOYSA-N 1 0 407.905 4.272 20 30 HIEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000438471695 863890949 /nfs/dbraw/zinc/89/09/49/863890949.db2.gz MJVXTNGPRWCESD-UHFFFAOYSA-N 1 0 419.550 4.403 20 30 HIEDRO COc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c(OC(F)F)c1 ZINC000438474004 863892651 /nfs/dbraw/zinc/89/26/51/863892651.db2.gz FWLZSUSXZOHKNZ-UHFFFAOYSA-N 1 0 403.429 4.043 20 30 HIEDRO N#Cc1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000438636256 864068307 /nfs/dbraw/zinc/06/83/07/864068307.db2.gz KBQBKUJRTYSMJC-SFHVURJKSA-N 1 0 402.420 4.363 20 30 HIEDRO N#Cc1ccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1C(F)(F)F ZINC000438654919 864096005 /nfs/dbraw/zinc/09/60/05/864096005.db2.gz WQGBUCFCBZSATO-QGZVFWFLSA-N 1 0 416.447 4.263 20 30 HIEDRO Cc1nc(SCC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)c(C#N)c(C)c1C ZINC000438714244 864197647 /nfs/dbraw/zinc/19/76/47/864197647.db2.gz LVYZRILHIDDRNG-UHFFFAOYSA-N 1 0 422.598 4.094 20 30 HIEDRO N#CC1(NC(=O)c2ccc(C(F)(F)F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000438968279 864433686 /nfs/dbraw/zinc/43/36/86/864433686.db2.gz XKBBBNCZJBDIBO-UHFFFAOYSA-N 1 0 405.395 4.133 20 30 HIEDRO CC[C@@](C)(O)C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccc1 ZINC000439258450 864674542 /nfs/dbraw/zinc/67/45/42/864674542.db2.gz IIANARXLCPKXOL-RUZDIDTESA-N 1 0 403.526 4.401 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)c(Cl)c1 ZINC000439461895 864841184 /nfs/dbraw/zinc/84/11/84/864841184.db2.gz MZBVBCIHEMEDBZ-INIZCTEOSA-N 1 0 400.885 4.384 20 30 HIEDRO CCCc1c(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cnn1-c1cccc(C#N)c1 ZINC000439675264 865008190 /nfs/dbraw/zinc/00/81/90/865008190.db2.gz RZHKTQBNJJKNIO-FQEVSTJZSA-N 1 0 420.561 4.036 20 30 HIEDRO CCCc1c(NC(=O)N2CCC(C[NH+](CC)CC)CC2)cnn1-c1cccc(C#N)c1 ZINC000439677974 865012235 /nfs/dbraw/zinc/01/22/35/865012235.db2.gz LJEMVXQBBXZCAX-UHFFFAOYSA-N 1 0 422.577 4.282 20 30 HIEDRO CCCc1c(NC(=O)N(CC[NH+](C)C)C2CCCC2)cnn1-c1cccc(C#N)c1 ZINC000439683162 865018685 /nfs/dbraw/zinc/01/86/85/865018685.db2.gz GWBIKUJVYZSMHX-UHFFFAOYSA-N 1 0 408.550 4.035 20 30 HIEDRO COc1cccc([C@@H](CNC(=O)N[C@H](CCC#N)c2ccccc2)[NH+]2CCCC2)c1 ZINC000440216454 865451181 /nfs/dbraw/zinc/45/11/81/865451181.db2.gz OVTAHXZJXCTKIU-DHIUTWEWSA-N 1 0 406.530 4.176 20 30 HIEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441076074 866168125 /nfs/dbraw/zinc/16/81/25/866168125.db2.gz QNRNOGSMLCZZTI-AWEZNQCLSA-N 1 0 411.449 4.301 20 30 HIEDRO CC[C@H](O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1 ZINC000441076781 866170809 /nfs/dbraw/zinc/17/08/09/866170809.db2.gz YMPRBPWIFHSPIJ-SFHVURJKSA-N 1 0 411.571 4.100 20 30 HIEDRO CS[C@@H]1CCCC[N@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000441133983 866227089 /nfs/dbraw/zinc/22/70/89/866227089.db2.gz IIGLHUXVOFCDHB-LJQANCHMSA-N 1 0 414.575 4.164 20 30 HIEDRO C[C@@H](O)C[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441232721 866308607 /nfs/dbraw/zinc/30/86/07/866308607.db2.gz YTCOPNNFULZGEU-JKSUJKDBSA-N 1 0 410.905 4.076 20 30 HIEDRO C[C@@H](O)C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441281224 866356942 /nfs/dbraw/zinc/35/69/42/866356942.db2.gz TUVJHMQAENDOBT-LSDHHAIUSA-N 1 0 420.340 4.118 20 30 HIEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000441329811 866401410 /nfs/dbraw/zinc/40/14/10/866401410.db2.gz DTMXVXDBXLXXGR-FDDCHVKYSA-N 1 0 408.521 4.364 20 30 HIEDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000441380704 866452232 /nfs/dbraw/zinc/45/22/32/866452232.db2.gz RBZUDVNGLGOORX-HTAPYJJXSA-N 1 0 421.932 4.383 20 30 HIEDRO N#Cc1c(NC(=O)CCN2CC[C@H](C[NH+]3CCCCC3)C2)sc2c1CCCCC2 ZINC000441447238 866521758 /nfs/dbraw/zinc/52/17/58/866521758.db2.gz KOWMJWMYEVSWQC-GOSISDBHSA-N 1 0 414.619 4.025 20 30 HIEDRO N#Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)ccc1OC(F)(F)F ZINC000442217874 867241771 /nfs/dbraw/zinc/24/17/71/867241771.db2.gz QGNWFXMRKARJBA-UHFFFAOYSA-N 1 0 418.419 4.197 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000442961565 867765616 /nfs/dbraw/zinc/76/56/16/867765616.db2.gz BJZFZRMPHSTPBI-FXAWDEMLSA-N 1 0 417.431 4.096 20 30 HIEDRO COC(=O)c1ccc(COc2ccc(C[NH2+]CC3CCC(C#N)CC3)cc2OC)o1 ZINC000443061141 867806736 /nfs/dbraw/zinc/80/67/36/867806736.db2.gz IBCQIMULHFCXNE-UHFFFAOYSA-N 1 0 412.486 4.073 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC#Cc1ccc(Cl)cc1 ZINC000443409170 867989469 /nfs/dbraw/zinc/98/94/69/867989469.db2.gz WDHQITCYEANRGN-UHFFFAOYSA-N 1 0 400.979 4.290 20 30 HIEDRO N#Cc1ccccc1Sc1ccc(C(=O)N2CC[C@@H](OCC[NH+]3CCCC3)C2)cc1 ZINC000443808096 868343757 /nfs/dbraw/zinc/34/37/57/868343757.db2.gz QKBWVUIYZXVTQB-OAQYLSRUSA-N 1 0 421.566 4.036 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000444204403 868665172 /nfs/dbraw/zinc/66/51/72/868665172.db2.gz IGHBZLJKJLWLCN-IEBWSBKVSA-N 1 0 401.576 4.443 20 30 HIEDRO COc1ccccc1C[C@@H](C)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000444236744 868686011 /nfs/dbraw/zinc/68/60/11/868686011.db2.gz JJKDANPAQKTPOQ-MRXNPFEDSA-N 1 0 411.571 4.399 20 30 HIEDRO N#CC(CC[NH+]1CCC(N2CCCCC2=O)CC1)(c1ccccc1)c1ccccc1 ZINC000444635290 868923028 /nfs/dbraw/zinc/92/30/28/868923028.db2.gz AGQGAPNNPCXXOP-UHFFFAOYSA-N 1 0 401.554 4.363 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000444893160 869080660 /nfs/dbraw/zinc/08/06/60/869080660.db2.gz DLPPCMFFYPDONR-UHFFFAOYSA-N 1 0 418.541 4.442 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000468334563 882267446 /nfs/dbraw/zinc/26/74/46/882267446.db2.gz SUNXVFMVMKAZJZ-OAHLLOKOSA-N 1 0 414.377 4.443 20 30 HIEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445895082 869876609 /nfs/dbraw/zinc/87/66/09/869876609.db2.gz DXYXUEWICJRZNP-GOSISDBHSA-N 1 0 414.303 4.105 20 30 HIEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000445988646 869952709 /nfs/dbraw/zinc/95/27/09/869952709.db2.gz PJMANGKWPWCFSA-HLAWJBBLSA-N 1 0 404.432 4.243 20 30 HIEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC000445989333 869953614 /nfs/dbraw/zinc/95/36/14/869953614.db2.gz TYNMXQKARUTKTM-QUCCMNQESA-N 1 0 401.432 4.119 20 30 HIEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000446419914 870331141 /nfs/dbraw/zinc/33/11/41/870331141.db2.gz QORLHVJHHIHQLG-UHFFFAOYSA-N 1 0 407.445 4.287 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000446634295 870540274 /nfs/dbraw/zinc/54/02/74/870540274.db2.gz CRVMQEHLRJVSKU-DNQXCXABSA-N 1 0 404.558 4.043 20 30 HIEDRO Cc1cnccc1OC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000447083979 870975908 /nfs/dbraw/zinc/97/59/08/870975908.db2.gz CKPOYCQGXAVPIZ-UHFFFAOYSA-N 1 0 401.514 4.211 20 30 HIEDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000447537544 871403292 /nfs/dbraw/zinc/40/32/92/871403292.db2.gz WRVRDQHZDWGEKX-MBSDFSHPSA-N 1 0 411.571 4.220 20 30 HIEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000447551023 871428161 /nfs/dbraw/zinc/42/81/61/871428161.db2.gz JJUMNZATHFPBCI-ROUUACIJSA-N 1 0 414.509 4.100 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460566472 873297917 /nfs/dbraw/zinc/29/79/17/873297917.db2.gz SGLBTMJYHLUOFZ-RTWAWAEBSA-N 1 0 409.578 4.113 20 30 HIEDRO C=CC[C@@H](CC)NC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000460764647 873606200 /nfs/dbraw/zinc/60/62/00/873606200.db2.gz AUDMWLYKBQGUJP-QGZVFWFLSA-N 1 0 408.384 4.410 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460786515 873644344 /nfs/dbraw/zinc/64/43/44/873644344.db2.gz KCXITTYUFGLQNS-AEFFLSMTSA-N 1 0 417.985 4.492 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460791946 873657131 /nfs/dbraw/zinc/65/71/31/873657131.db2.gz HXQOHGXHLIBOQU-FHWLQOOXSA-N 1 0 415.557 4.442 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460801305 873673496 /nfs/dbraw/zinc/67/34/96/873673496.db2.gz WCCFATFSFZJHAT-LVCYWYKZSA-N 1 0 415.557 4.300 20 30 HIEDRO N#Cc1cccc(OCCCCC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461448168 874506057 /nfs/dbraw/zinc/50/60/57/874506057.db2.gz KFZXEHSLANGGOF-DNQXCXABSA-N 1 0 417.553 4.088 20 30 HIEDRO N#Cc1cccc(OCCCCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000461448164 874506455 /nfs/dbraw/zinc/50/64/55/874506455.db2.gz KFZXEHSLANGGOF-BJKOFHAPSA-N 1 0 417.553 4.088 20 30 HIEDRO COc1ccc(C[N@@H+]2CCCN(c3c(C#N)cnc4c(C)cc(C)cc43)CC2)cc1 ZINC000461459803 874520246 /nfs/dbraw/zinc/52/02/46/874520246.db2.gz FDYZFHWUIALXES-UHFFFAOYSA-N 1 0 400.526 4.444 20 30 HIEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)CC1 ZINC000461486007 874548063 /nfs/dbraw/zinc/54/80/63/874548063.db2.gz AUQCWMHRCHQHMP-UHFFFAOYSA-N 1 0 420.586 4.237 20 30 HIEDRO Cc1ccc([C@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)[NH+]2CCCC2)cc1 ZINC000468839458 882884622 /nfs/dbraw/zinc/88/46/22/882884622.db2.gz DRRZKTFEWOGFHA-QFIPXVFZSA-N 1 0 400.482 4.089 20 30 HIEDRO C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(C#N)c1 ZINC000462067424 875178300 /nfs/dbraw/zinc/17/83/00/875178300.db2.gz NDHNOYMYGVBFNJ-YWZLYKJASA-N 1 0 401.432 4.071 20 30 HIEDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)c1cccc(C#N)c1 ZINC000462248234 875366764 /nfs/dbraw/zinc/36/67/64/875366764.db2.gz SGTKMPZCNWVNHE-INIZCTEOSA-N 1 0 403.448 4.271 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2C[C@H](OCC)C23CCC3)cc1OC ZINC000462751739 875818148 /nfs/dbraw/zinc/81/81/48/875818148.db2.gz BHKIPOWMNYFYSV-MSOLQXFVSA-N 1 0 410.352 4.460 20 30 HIEDRO OC[C@@H]1C[N@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)CCC1(F)F ZINC000462870069 875898988 /nfs/dbraw/zinc/89/89/88/875898988.db2.gz YSQOLASWKMIVEW-AAEUAGOBSA-N 1 0 407.301 4.008 20 30 HIEDRO OC[C@@H]1C[N@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CCC1(F)F ZINC000462870071 875899217 /nfs/dbraw/zinc/89/92/17/875899217.db2.gz YSQOLASWKMIVEW-WCQYABFASA-N 1 0 407.301 4.008 20 30 HIEDRO COc1ccc2c(c1)C[N@@H+](C[C@@H](O)COc1ccc(C#N)cc1)[C@H](c1ccccc1)C2 ZINC000468915901 882975784 /nfs/dbraw/zinc/97/57/84/882975784.db2.gz JIFCYLKNVIFXBJ-BVAGGSTKSA-N 1 0 414.505 4.106 20 30 HIEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCN(c3ccccc3F)C2)c(-c2ccccc2)n1 ZINC000462914736 875941496 /nfs/dbraw/zinc/94/14/96/875941496.db2.gz YXLVMHQWZSQDLP-LJQANCHMSA-N 1 0 403.505 4.219 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c1C ZINC000463195173 876254169 /nfs/dbraw/zinc/25/41/69/876254169.db2.gz VUCFLCSLHYDWHO-LJAMWKNPSA-N 1 0 411.590 4.202 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000463209007 876270263 /nfs/dbraw/zinc/27/02/63/876270263.db2.gz HPTRHBCKXVCIOD-JYRKZWEQSA-N 1 0 415.603 4.425 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(N[C@@H](CO)c3c(Cl)cccc3Cl)CC2)cc1 ZINC000463246904 876305111 /nfs/dbraw/zinc/30/51/11/876305111.db2.gz YCKDKVAIJOAHEU-FQEVSTJZSA-N 1 0 404.341 4.153 20 30 HIEDRO Cc1nc(-c2cccc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)c2)cs1 ZINC000463494978 876553558 /nfs/dbraw/zinc/55/35/58/876553558.db2.gz YMPXEWRGHDJFOH-UHFFFAOYSA-N 1 0 404.539 4.194 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000463504304 876564517 /nfs/dbraw/zinc/56/45/17/876564517.db2.gz YZSAZDKFRKLSDF-UHFFFAOYSA-N 1 0 414.933 4.308 20 30 HIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000464599815 877826848 /nfs/dbraw/zinc/82/68/48/877826848.db2.gz DIXNHTDZTIIGPC-AWEZNQCLSA-N 1 0 413.591 4.438 20 30 HIEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1 ZINC000464731496 877967548 /nfs/dbraw/zinc/96/75/48/877967548.db2.gz AWLDJZHENGLIGO-UHFFFAOYSA-N 1 0 421.541 4.232 20 30 HIEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464850897 878127657 /nfs/dbraw/zinc/12/76/57/878127657.db2.gz PIMCZKHIYVSDGC-NHCUHLMSSA-N 1 0 422.548 4.057 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(C)c1C(=O)N1CCCC1)C(C)C ZINC000503409496 912390441 /nfs/dbraw/zinc/39/04/41/912390441.db2.gz WYHOOOJYBGPSGO-OAQYLSRUSA-N 1 0 412.578 4.051 20 30 HIEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000503413091 912397803 /nfs/dbraw/zinc/39/78/03/912397803.db2.gz RVODMEGUQCPVOR-GOSISDBHSA-N 1 0 403.448 4.349 20 30 HIEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCc2cc(C#N)ccc2F)C1 ZINC000465535831 878996730 /nfs/dbraw/zinc/99/67/30/878996730.db2.gz ZNDFWDDCNZYFQH-ROUUACIJSA-N 1 0 408.521 4.175 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000465583757 879063684 /nfs/dbraw/zinc/06/36/84/879063684.db2.gz WGIPZJXLQIYNRB-JWQCQUIFSA-N 1 0 416.569 4.175 20 30 HIEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503428579 912424609 /nfs/dbraw/zinc/42/46/09/912424609.db2.gz PUQKLLCJAMYKPO-FQEVSTJZSA-N 1 0 421.507 4.355 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503437103 912445410 /nfs/dbraw/zinc/44/54/10/912445410.db2.gz WWYMYJYRQIKIKZ-MOPGFXCFSA-N 1 0 412.603 4.064 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000465887068 879542053 /nfs/dbraw/zinc/54/20/53/879542053.db2.gz GUHYWLLQFXZPMH-ICDZXHCJSA-N 1 0 416.569 4.032 20 30 HIEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1cccc(SCC#N)c1 ZINC000503464756 912496163 /nfs/dbraw/zinc/49/61/63/912496163.db2.gz RHKGOQUQLNFIAL-HXUWFJFHSA-N 1 0 409.555 4.135 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000466106441 879821902 /nfs/dbraw/zinc/82/19/02/879821902.db2.gz RZTPAAINTRHKJP-IRLDBZIGSA-N 1 0 408.571 4.400 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](CO)Cc2ccccc2C)cc1OC ZINC000466918308 880686142 /nfs/dbraw/zinc/68/61/42/880686142.db2.gz KQHGKFAIDZDBGT-SFHVURJKSA-N 1 0 420.347 4.024 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3cc(Cl)cn3C)sc2C1 ZINC000466945545 880718252 /nfs/dbraw/zinc/71/82/52/880718252.db2.gz CNRYXAJMBYGRHG-CYBMUJFWSA-N 1 0 404.967 4.197 20 30 HIEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469281121 883379082 /nfs/dbraw/zinc/37/90/82/883379082.db2.gz NPAKUQNMYUKWJR-OAQYLSRUSA-N 1 0 414.509 4.197 20 30 HIEDRO COC1CC[NH+](C2(CNC(=O)c3cn(CCCC#N)c4ccccc34)CCCC2)CC1 ZINC000469372376 883499333 /nfs/dbraw/zinc/49/93/33/883499333.db2.gz ZWEFJVFVLRGROS-UHFFFAOYSA-N 1 0 422.573 4.098 20 30 HIEDRO COc1ccc(C#N)cc1NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469667535 883859351 /nfs/dbraw/zinc/85/93/51/883859351.db2.gz QSCDXPDHPHPRKN-KRWDZBQOSA-N 1 0 406.408 4.010 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1c(F)c(F)cc(F)c1F)c1cccc(C(F)(F)F)c1 ZINC000469741449 883897314 /nfs/dbraw/zinc/89/73/14/883897314.db2.gz IHKKXDPZOVUCSJ-ZDUSSCGKSA-N 1 0 408.317 4.295 20 30 HIEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000470239863 884567695 /nfs/dbraw/zinc/56/76/95/884567695.db2.gz XMJMMNXSXZQHGQ-OAQYLSRUSA-N 1 0 403.526 4.349 20 30 HIEDRO CC(C)[NH+](CCCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C(C)C ZINC000470484475 884872810 /nfs/dbraw/zinc/87/28/10/884872810.db2.gz BNSPDSKPAKMIJG-UHFFFAOYSA-N 1 0 421.545 4.441 20 30 HIEDRO Cc1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1Oc1cccnc1 ZINC000503943200 912876371 /nfs/dbraw/zinc/87/63/71/912876371.db2.gz DWPLCLDZOAXYRI-QHCPKHFHSA-N 1 0 412.493 4.339 20 30 HIEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cc2)CC1 ZINC000503955791 912882763 /nfs/dbraw/zinc/88/27/63/912882763.db2.gz MCBAHJNRGVHMAK-UHFFFAOYSA-N 1 0 414.553 4.018 20 30 HIEDRO C=CCc1cc(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000470658311 885082831 /nfs/dbraw/zinc/08/28/31/885082831.db2.gz QKFCAJHKEJITEM-JOCHJYFZSA-N 1 0 408.542 4.169 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(Oc4ccccn4)CC3)sc2C1 ZINC000471162849 885717103 /nfs/dbraw/zinc/71/71/03/885717103.db2.gz RJMCGCKONKHKHR-MRXNPFEDSA-N 1 0 424.570 4.012 20 30 HIEDRO Cc1ccc(C[N@H+](C)CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)s1 ZINC000472235502 887043641 /nfs/dbraw/zinc/04/36/41/887043641.db2.gz ARRDXECLYDTLME-UHFFFAOYSA-N 1 0 410.543 4.448 20 30 HIEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1 ZINC000472265098 887079823 /nfs/dbraw/zinc/07/98/23/887079823.db2.gz XJTVFTLJFXBHNJ-MHZLTWQESA-N 1 0 409.533 4.500 20 30 HIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472468693 887329402 /nfs/dbraw/zinc/32/94/02/887329402.db2.gz UJBTWWWRACABMZ-UHFFFAOYSA-N 1 0 422.495 4.285 20 30 HIEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000472753852 887599222 /nfs/dbraw/zinc/59/92/22/887599222.db2.gz QAEJAMMYNYYWRU-ZWKOTPCHSA-N 1 0 404.580 4.045 20 30 HIEDRO C[C@H](CCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000473009207 887839286 /nfs/dbraw/zinc/83/92/86/887839286.db2.gz GEYMKBSSWIAFIV-QDSKXPNFSA-N 1 0 404.558 4.378 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1N1CCCCC1 ZINC000504383911 913209248 /nfs/dbraw/zinc/20/92/48/913209248.db2.gz DOXKXXNHNRPNHX-UHFFFAOYSA-N 1 0 405.546 4.144 20 30 HIEDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(F)cc1C(F)(F)F ZINC000473524392 888260002 /nfs/dbraw/zinc/26/00/02/888260002.db2.gz ULYPRYNAOYQSTQ-UHFFFAOYSA-N 1 0 412.349 4.380 20 30 HIEDRO C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000473829491 888663176 /nfs/dbraw/zinc/66/31/76/888663176.db2.gz NPKOEXZUQIAPHH-YFVAEKQCSA-N 1 0 412.496 4.433 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H]1c1cc(C)ccc1C ZINC000474234790 889078364 /nfs/dbraw/zinc/07/83/64/889078364.db2.gz SOYKSQWWMVPJCO-HSZRJFAPSA-N 1 0 422.573 4.406 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1)C1CC1 ZINC000504547910 913324423 /nfs/dbraw/zinc/32/44/23/913324423.db2.gz SYDUIXXCYHCSJM-FQEVSTJZSA-N 1 0 412.331 4.428 20 30 HIEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)c3ccc(C(C)(C)C#N)cc3)CC2)c1 ZINC000474780435 889638475 /nfs/dbraw/zinc/63/84/75/889638475.db2.gz LVWYZLBYZXPGTR-UHFFFAOYSA-N 1 0 418.585 4.128 20 30 HIEDRO COc1ccccc1[C@@H](CNC(=O)C[C@H](CC#N)c1ccccc1)[NH+]1CCCCC1 ZINC000475025928 889878627 /nfs/dbraw/zinc/87/86/27/889878627.db2.gz ZIQVXKXTECMOPX-JTHBVZDNSA-N 1 0 405.542 4.426 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000475167912 890033999 /nfs/dbraw/zinc/03/39/99/890033999.db2.gz RMBKTHIVLLIUMO-ICSRJNTNSA-N 1 0 411.590 4.246 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000475180873 890050103 /nfs/dbraw/zinc/05/01/03/890050103.db2.gz WSJBPQJISRUYBJ-UHFFFAOYSA-N 1 0 409.530 4.056 20 30 HIEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000475464475 890374254 /nfs/dbraw/zinc/37/42/54/890374254.db2.gz WEWTYPUTAQXUMH-PZJWPPBQSA-N 1 0 422.548 4.232 20 30 HIEDRO Cc1nc2ccccc2n1C1CC[NH+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 ZINC000475509087 890426901 /nfs/dbraw/zinc/42/69/01/890426901.db2.gz RGDJQTLROWMISW-UHFFFAOYSA-N 1 0 410.525 4.454 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000475520672 890443334 /nfs/dbraw/zinc/44/33/34/890443334.db2.gz SJDPRROCJZPPKW-FYYLOGMGSA-N 1 0 408.521 4.107 20 30 HIEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[C@H](CC#N)c1ccccc1 ZINC000475527198 890451697 /nfs/dbraw/zinc/45/16/97/890451697.db2.gz HACPVKXGMXEBKP-FQEVSTJZSA-N 1 0 403.530 4.404 20 30 HIEDRO COc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(OCC(C)C)c1 ZINC000475819109 890753494 /nfs/dbraw/zinc/75/34/94/890753494.db2.gz UHKPAHZWCBMTIS-UHFFFAOYSA-N 1 0 421.541 4.018 20 30 HIEDRO N#CC[C@H](CC(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000476428232 891341054 /nfs/dbraw/zinc/34/10/54/891341054.db2.gz NYEWVIRVMISBMY-DHIUTWEWSA-N 1 0 413.525 4.356 20 30 HIEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000477289289 892246628 /nfs/dbraw/zinc/24/66/28/892246628.db2.gz DALUKIULPJTNCM-UHFFFAOYSA-N 1 0 400.444 4.473 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000477593816 892668897 /nfs/dbraw/zinc/66/88/97/892668897.db2.gz VUCDUXAMSWYJGQ-HNNXBMFYSA-N 1 0 408.468 4.089 20 30 HIEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCc1ccccc1C[NH+]1CCCC1 ZINC000477838245 892898035 /nfs/dbraw/zinc/89/80/35/892898035.db2.gz PPMTYGLGSJUHAI-UHFFFAOYSA-N 1 0 415.459 4.152 20 30 HIEDRO Cn1cc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2)c(-c2ccc(C#N)cc2)n1 ZINC000478182545 893344989 /nfs/dbraw/zinc/34/49/89/893344989.db2.gz RPIPOODPFDNANP-FQEVSTJZSA-N 1 0 405.933 4.371 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000478807554 894081475 /nfs/dbraw/zinc/08/14/75/894081475.db2.gz QUBXXIBRNCZUOG-UHFFFAOYSA-N 1 0 423.605 4.259 20 30 HIEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2C#N)[C@H]2CCCC[C@@H]12 ZINC000479110071 894376803 /nfs/dbraw/zinc/37/68/03/894376803.db2.gz ZRGUMFUYGNDVIV-YJPCQTTLSA-N 1 0 424.589 4.071 20 30 HIEDRO CC[C@@H](Oc1ccccc1Cl)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479208881 894472270 /nfs/dbraw/zinc/47/22/70/894472270.db2.gz BBXLSXZBDVZVQR-HXUWFJFHSA-N 1 0 411.933 4.172 20 30 HIEDRO Cc1ccc(SCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000479237799 894500888 /nfs/dbraw/zinc/50/08/88/894500888.db2.gz CIQRUEYROVHYGC-UHFFFAOYSA-N 1 0 407.583 4.460 20 30 HIEDRO N#CC1(NC(=O)CSCc2ccc(Cl)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479253997 894518602 /nfs/dbraw/zinc/51/86/02/894518602.db2.gz WCHZAMCQLDBKJH-UHFFFAOYSA-N 1 0 413.974 4.248 20 30 HIEDRO Cc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1Br ZINC000479283851 894562877 /nfs/dbraw/zinc/56/28/77/894562877.db2.gz SCCVFXSWFOUFCY-UHFFFAOYSA-N 1 0 412.331 4.046 20 30 HIEDRO N#Cc1cccc(C2(NC(=O)NC[C@@H](c3cccc(Cl)c3)[NH+]3CCCC3)CC2)c1 ZINC000479285556 894564589 /nfs/dbraw/zinc/56/45/89/894564589.db2.gz UWSPJNIUUOZRBL-NRFANRHFSA-N 1 0 408.933 4.337 20 30 HIEDRO N#CC1(NC(=O)c2ccc(Oc3cccnc3)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479306593 894593302 /nfs/dbraw/zinc/59/33/02/894593302.db2.gz CBLVVELPDQGVIA-UHFFFAOYSA-N 1 0 412.493 4.162 20 30 HIEDRO Cc1ccc2c(CCC(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c[nH]c2c1 ZINC000479313035 894601186 /nfs/dbraw/zinc/60/11/86/894601186.db2.gz MMEKFQJBMAALRM-UHFFFAOYSA-N 1 0 400.526 4.084 20 30 HIEDRO C[C@H](CSc1ccc(F)cc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479316789 894604872 /nfs/dbraw/zinc/60/48/72/894604872.db2.gz RFAGWVDNKLQHHD-GOSISDBHSA-N 1 0 411.546 4.228 20 30 HIEDRO Cc1cc2occ(CC(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2cc1C ZINC000479318492 894606938 /nfs/dbraw/zinc/60/69/38/894606938.db2.gz ZVSWEIBRKHBWTA-UHFFFAOYSA-N 1 0 401.510 4.267 20 30 HIEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000480012190 895363749 /nfs/dbraw/zinc/36/37/49/895363749.db2.gz HTRPDUFMRUNJGB-NRFANRHFSA-N 1 0 423.582 4.282 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc(Br)c(Cl)s3)C2=O)cc1 ZINC000480309760 895712461 /nfs/dbraw/zinc/71/24/61/895712461.db2.gz UARGITSNMWPWHW-HNNXBMFYSA-N 1 0 424.751 4.321 20 30 HIEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000481180438 896518658 /nfs/dbraw/zinc/51/86/58/896518658.db2.gz LWRPQFKEAHBJNL-REWPJTCUSA-N 1 0 413.525 4.074 20 30 HIEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000481280584 896628514 /nfs/dbraw/zinc/62/85/14/896628514.db2.gz ZGOVPCZLIOZUGU-UHFFFAOYSA-N 1 0 412.513 4.049 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c(Br)c1 ZINC000481282051 896628818 /nfs/dbraw/zinc/62/88/18/896628818.db2.gz HZYZONRSVPHCDU-SFHVURJKSA-N 1 0 422.330 4.485 20 30 HIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000481347005 896717680 /nfs/dbraw/zinc/71/76/80/896717680.db2.gz LOHVGPGDMZHIOX-XCLFUZPHSA-N 1 0 417.962 4.456 20 30 HIEDRO C[C@@H]([NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)NC1(C#N)CCCCC1 ZINC000481734625 897129445 /nfs/dbraw/zinc/12/94/45/897129445.db2.gz KPUJQRQHQWFRPF-FZKQIMNGSA-N 1 0 422.342 4.360 20 30 HIEDRO N#Cc1ccc(SCC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000481864196 897232024 /nfs/dbraw/zinc/23/20/24/897232024.db2.gz NRVJEHZLGCIVFA-JTHBVZDNSA-N 1 0 405.567 4.163 20 30 HIEDRO C=CCOc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1OC ZINC000481894318 897271711 /nfs/dbraw/zinc/27/17/11/897271711.db2.gz ZNUPNNFTBJAAEA-GOTSBHOMSA-N 1 0 420.553 4.387 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000481916178 897298707 /nfs/dbraw/zinc/29/87/07/897298707.db2.gz XDGFEBSJWLRIBR-DEOSSOPVSA-N 1 0 402.542 4.018 20 30 HIEDRO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000482098627 897544458 /nfs/dbraw/zinc/54/44/58/897544458.db2.gz LJFHOPJBUDURLE-SIKLNZKXSA-N 1 0 405.542 4.227 20 30 HIEDRO N#CC1(NC(=O)CCSc2ccccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000482609576 898210251 /nfs/dbraw/zinc/21/02/51/898210251.db2.gz UEZPZYZMPFQOHL-UHFFFAOYSA-N 1 0 413.974 4.497 20 30 HIEDRO C=CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000482866718 898480053 /nfs/dbraw/zinc/48/00/53/898480053.db2.gz MOJUSQPWDSFGEH-IBGZPJMESA-N 1 0 414.571 4.277 20 30 HIEDRO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000482874700 898488466 /nfs/dbraw/zinc/48/84/66/898488466.db2.gz JLJNWCILVFMQOA-ZFJSRUIDSA-N 1 0 406.549 4.166 20 30 HIEDRO COc1cc(F)c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC ZINC000482890751 898508182 /nfs/dbraw/zinc/50/81/82/898508182.db2.gz NSZHGEYEELKRNN-GDBMZVCRSA-N 1 0 401.457 4.173 20 30 HIEDRO Cc1nc2ccccc2n1C1CC[NH+]([C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)CC1 ZINC000482891177 898509729 /nfs/dbraw/zinc/50/97/29/898509729.db2.gz RODGACQQPDJKFZ-CSKUQDPHSA-N 1 0 421.589 4.301 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCC4(CC3)C(=O)Nc3ccccc34)C2)c(F)c1 ZINC000482894333 898513532 /nfs/dbraw/zinc/51/35/32/898513532.db2.gz RATBJDDLVOLUJR-FAFRJYIDSA-N 1 0 418.516 4.088 20 30 HIEDRO N#Cc1ccccc1Oc1ccccc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000483251001 898892908 /nfs/dbraw/zinc/89/29/08/898892908.db2.gz FWHMPUSUFMCTTB-UHFFFAOYSA-N 1 0 412.493 4.140 20 30 HIEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC[C@H]21 ZINC000483369706 899006864 /nfs/dbraw/zinc/00/68/64/899006864.db2.gz SXPFNEBJHPOZBZ-DENIHFKCSA-N 1 0 422.504 4.224 20 30 HIEDRO CC[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@H](C)Cc1ccccc1C(F)(F)F ZINC000483399462 899032769 /nfs/dbraw/zinc/03/27/69/899032769.db2.gz CCBYXYQEYNJEEA-MRXNPFEDSA-N 1 0 403.448 4.146 20 30 HIEDRO N#Cc1ccc(-c2nnc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)o2)cc1 ZINC000483507300 899167243 /nfs/dbraw/zinc/16/72/43/899167243.db2.gz XTFZFFRYGOVDNV-DHIUTWEWSA-N 1 0 413.525 4.095 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000505620118 914321666 /nfs/dbraw/zinc/32/16/66/914321666.db2.gz JVSQDVGLNWUBAK-QFIPXVFZSA-N 1 0 419.569 4.114 20 30 HIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000483751725 899414851 /nfs/dbraw/zinc/41/48/51/899414851.db2.gz CKMPBVVQWQREBP-UHFFFAOYSA-N 1 0 414.619 4.232 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c1C#N ZINC000484658809 900103035 /nfs/dbraw/zinc/10/30/35/900103035.db2.gz XGOMBPXPXQCZSF-NHCUHLMSSA-N 1 0 408.550 4.000 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000484719472 900150633 /nfs/dbraw/zinc/15/06/33/900150633.db2.gz NKKWSNUJWMLORB-OFNKIYASSA-N 1 0 409.578 4.387 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]CC3(c4ccc(Cl)cc4)CCOCC3)C2=O)cc1 ZINC000485236733 900522136 /nfs/dbraw/zinc/52/21/36/900522136.db2.gz YJUQMHDGLRQEOZ-JOCHJYFZSA-N 1 0 423.944 4.045 20 30 HIEDRO COc1cc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1OC(F)F ZINC000485244531 900529395 /nfs/dbraw/zinc/52/93/95/900529395.db2.gz KFYRXTULTJYIOE-KSSFIOAISA-N 1 0 415.440 4.014 20 30 HIEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)c1 ZINC000485290786 900567971 /nfs/dbraw/zinc/56/79/71/900567971.db2.gz SACRGBAFRHUZIG-UHFFFAOYSA-N 1 0 424.517 4.033 20 30 HIEDRO COc1cc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341739 900632669 /nfs/dbraw/zinc/63/26/69/900632669.db2.gz BRBIYCSBLVMRTF-DHIUTWEWSA-N 1 0 405.542 4.062 20 30 HIEDRO CC[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1cc(F)cc(Br)c1 ZINC000486109722 901295653 /nfs/dbraw/zinc/29/56/53/901295653.db2.gz NXUZBUZBDGWFFI-HOTGVXAUSA-N 1 0 422.323 4.368 20 30 HIEDRO CC[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1cc(F)cc(Br)c1 ZINC000486109723 901296500 /nfs/dbraw/zinc/29/65/00/901296500.db2.gz NXUZBUZBDGWFFI-HZPDHXFCSA-N 1 0 422.323 4.368 20 30 HIEDRO CC(C)[C@@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[N@@H+]1C ZINC000486262065 901445022 /nfs/dbraw/zinc/44/50/22/901445022.db2.gz WGWXTYMZWVUMFP-QHCPKHFHSA-N 1 0 406.530 4.136 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000505907394 914549548 /nfs/dbraw/zinc/54/95/48/914549548.db2.gz SFFPJIPJRQOELB-CTNGQTDRSA-N 1 0 421.541 4.457 20 30 HIEDRO Clc1cccc(C#CC[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)c1 ZINC000486837725 901887543 /nfs/dbraw/zinc/88/75/43/901887543.db2.gz DVBAXBGSSRCWSC-AUSIDOKSSA-N 1 0 404.901 4.190 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000486966073 901994481 /nfs/dbraw/zinc/99/44/81/901994481.db2.gz JQXAJGCCGLOEKO-IIBYNOLFSA-N 1 0 401.470 4.337 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1C#N ZINC000505935922 914587057 /nfs/dbraw/zinc/58/70/57/914587057.db2.gz QWILGVPSAGWLKP-SJORKVTESA-N 1 0 412.603 4.279 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000505953567 914608279 /nfs/dbraw/zinc/60/82/79/914608279.db2.gz IRUJTZWDRUMDET-XMMPIXPASA-N 1 0 422.548 4.113 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)c1ccco1 ZINC000487971899 902497611 /nfs/dbraw/zinc/49/76/11/902497611.db2.gz XGWREBCDIKJVCL-MRXNPFEDSA-N 1 0 405.296 4.118 20 30 HIEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000488317232 902763622 /nfs/dbraw/zinc/76/36/22/902763622.db2.gz SKQYFSZHMFCKAM-SFHVURJKSA-N 1 0 420.513 4.068 20 30 HIEDRO C[C@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488466943 902840018 /nfs/dbraw/zinc/84/00/18/902840018.db2.gz MPUJZFZTMUQBHY-JLTOFOAXSA-N 1 0 402.325 4.187 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000488509069 902863253 /nfs/dbraw/zinc/86/32/53/902863253.db2.gz UUIVINCBGOAXMQ-RDPSFJRHSA-N 1 0 405.542 4.134 20 30 HIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000488610079 902899188 /nfs/dbraw/zinc/89/91/88/902899188.db2.gz LPIBUTFPDLSNKM-UHFFFAOYSA-N 1 0 409.536 4.433 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(n3cc(Cl)cn3)CC1)CCCC2 ZINC000506033319 914718568 /nfs/dbraw/zinc/71/85/68/914718568.db2.gz WUDTZUKHHHJPSW-UHFFFAOYSA-N 1 0 417.966 4.014 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489851797 903630651 /nfs/dbraw/zinc/63/06/51/903630651.db2.gz IFPHKTKSFUYXRF-XXBNENTESA-N 1 0 422.529 4.203 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489851795 903631397 /nfs/dbraw/zinc/63/13/97/903631397.db2.gz IFPHKTKSFUYXRF-CVDCTZTESA-N 1 0 422.529 4.203 20 30 HIEDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000490099918 903770203 /nfs/dbraw/zinc/77/02/03/903770203.db2.gz ZIUUUDNDYVFRLW-SFHVURJKSA-N 1 0 417.962 4.410 20 30 HIEDRO N#CCCN(C(=O)CN1CCC[C@H](C[NH+]2CCCCCC2)C1)c1cccc(Cl)c1 ZINC000491058688 904402722 /nfs/dbraw/zinc/40/27/22/904402722.db2.gz HAQNIMQCDHUZES-HXUWFJFHSA-N 1 0 416.997 4.175 20 30 HIEDRO Cn1cc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491140607 904451708 /nfs/dbraw/zinc/45/17/08/904451708.db2.gz JDWHKGAPLOWMCD-UHFFFAOYSA-N 1 0 408.452 4.280 20 30 HIEDRO CCC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@H]1COc2ccccc2O1 ZINC000491195319 904476972 /nfs/dbraw/zinc/47/69/72/904476972.db2.gz UPLVDQJIDMDOFY-NRFANRHFSA-N 1 0 402.498 4.011 20 30 HIEDRO COc1cc(C#N)ccc1OCCCC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000491835415 904707440 /nfs/dbraw/zinc/70/74/40/904707440.db2.gz OROVOVQSLFOCSP-UHFFFAOYSA-N 1 0 421.541 4.028 20 30 HIEDRO C[C@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492271682 904826558 /nfs/dbraw/zinc/82/65/58/904826558.db2.gz PSSBYELXRVVDOX-MAUKXSAKSA-N 1 0 414.456 4.192 20 30 HIEDRO C[C@@H](NC(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492271676 904826775 /nfs/dbraw/zinc/82/67/75/904826775.db2.gz PSSBYELXRVVDOX-CRAIPNDOSA-N 1 0 414.456 4.192 20 30 HIEDRO CC(C)[NH+](CCN(C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C(C)C ZINC000506241148 914859142 /nfs/dbraw/zinc/85/91/42/914859142.db2.gz RVMWDVHFPHQWIB-UHFFFAOYSA-N 1 0 400.445 4.082 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccccc3OCc3ccncc3)CC2)cc1 ZINC000506249052 914862723 /nfs/dbraw/zinc/86/27/23/914862723.db2.gz YLPSAYOSGIGNSZ-UHFFFAOYSA-N 1 0 412.537 4.240 20 30 HIEDRO C=CCC[C@@H]([NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000493687790 905193301 /nfs/dbraw/zinc/19/33/01/905193301.db2.gz NGBMXDPDSNLPPA-HSZRJFAPSA-N 1 0 414.571 4.145 20 30 HIEDRO C=CCC[C@H]([NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)c1ccccc1 ZINC000493687793 905193683 /nfs/dbraw/zinc/19/36/83/905193683.db2.gz NGBMXDPDSNLPPA-QHCPKHFHSA-N 1 0 414.571 4.145 20 30 HIEDRO C[C@@H](Sc1ccccc1Cl)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000494358847 905660356 /nfs/dbraw/zinc/66/03/56/905660356.db2.gz BQXYZASLYIMKIO-MRXNPFEDSA-N 1 0 401.963 4.283 20 30 HIEDRO N#CCCN(C(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000494455924 905737206 /nfs/dbraw/zinc/73/72/06/905737206.db2.gz WLPWHEXLGYZYCQ-TZIWHRDSSA-N 1 0 418.324 4.360 20 30 HIEDRO Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 ZINC000494481415 905763256 /nfs/dbraw/zinc/76/32/56/905763256.db2.gz GNMGQWCIHNOSQN-WOJBJXKFSA-N 1 0 424.342 4.007 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000494484350 905768674 /nfs/dbraw/zinc/76/86/74/905768674.db2.gz JZVJDSZDQHLDDZ-FYYLOGMGSA-N 1 0 411.933 4.323 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000494491644 905776576 /nfs/dbraw/zinc/77/65/76/905776576.db2.gz JGGSPIBWXUDXMU-MZLNMZFDSA-N 1 0 403.954 4.079 20 30 HIEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3cccc4c3C[N@H+](CC(C)C)C4)C2)n1 ZINC000494494554 905782051 /nfs/dbraw/zinc/78/20/51/905782051.db2.gz OLWCLIDCJNBIST-NRFANRHFSA-N 1 0 417.557 4.088 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+](Cc2ccccc2)[C@H](CO)C(C)C)c1C ZINC000494562487 905837598 /nfs/dbraw/zinc/83/75/98/905837598.db2.gz HBQSFPJBQAFADH-XMMPIXPASA-N 1 0 407.558 4.069 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000494766519 905963611 /nfs/dbraw/zinc/96/36/11/905963611.db2.gz ADZYGRQXCSYRTQ-UHFFFAOYSA-N 1 0 415.493 4.260 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000494830534 906022350 /nfs/dbraw/zinc/02/23/50/906022350.db2.gz ULIJWJPUJPZMQT-UHFFFAOYSA-N 1 0 405.258 4.238 20 30 HIEDRO CC(C)[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CCCC1 ZINC000495023287 906181032 /nfs/dbraw/zinc/18/10/32/906181032.db2.gz GLAGZMNTYSNXHJ-IBGZPJMESA-N 1 0 412.578 4.009 20 30 HIEDRO C=CC[C@H](C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC000495026022 906184921 /nfs/dbraw/zinc/18/49/21/906184921.db2.gz PIKFSUQUVJNDOB-VWLOTQADSA-N 1 0 405.586 4.373 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)[C@H](C)c2ccccc2)c1C#N ZINC000495405818 906430997 /nfs/dbraw/zinc/43/09/97/906430997.db2.gz BXHCSAMSFKLFLI-WMZOPIPTSA-N 1 0 404.514 4.338 20 30 HIEDRO CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000495546934 906500853 /nfs/dbraw/zinc/50/08/53/906500853.db2.gz KDQBSGDWECOZLO-MRXNPFEDSA-N 1 0 410.587 4.067 20 30 HIEDRO C=CCOc1ccc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)cc1OC ZINC000512575544 921245996 /nfs/dbraw/zinc/24/59/96/921245996.db2.gz YXJRPISYMXUOEY-UHFFFAOYSA-N 1 0 406.486 4.085 20 30 HIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)c1 ZINC000512600489 921255717 /nfs/dbraw/zinc/25/57/17/921255717.db2.gz WGENAYBEFPFTDI-UHFFFAOYSA-N 1 0 419.916 4.452 20 30 HIEDRO C=C(C)COc1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1OC ZINC000512630480 921267938 /nfs/dbraw/zinc/26/79/38/921267938.db2.gz YMKFONDHZVALGE-UHFFFAOYSA-N 1 0 419.525 4.372 20 30 HIEDRO CC[N@H+](CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497618651 907095987 /nfs/dbraw/zinc/09/59/87/907095987.db2.gz GAPMRZYAUJIJAM-IBGZPJMESA-N 1 0 415.541 4.060 20 30 HIEDRO CC[N@H+](CCC1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1)CC(C)C ZINC000497695143 907200086 /nfs/dbraw/zinc/20/00/86/907200086.db2.gz ADRGAWPZECWREV-UHFFFAOYSA-N 1 0 410.484 4.192 20 30 HIEDRO C=CCOc1ccc(C[NH2+]CC(=O)Nc2ccc(Br)cc2C)cc1OC ZINC000497706201 907211082 /nfs/dbraw/zinc/21/10/82/907211082.db2.gz MEZSXRYKMXTZJO-UHFFFAOYSA-N 1 0 419.319 4.059 20 30 HIEDRO CC(C)c1ccc(OCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000497933046 907397354 /nfs/dbraw/zinc/39/73/54/907397354.db2.gz DXLVDVOKZFEIOZ-UHFFFAOYSA-N 1 0 405.542 4.185 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000498412365 907889203 /nfs/dbraw/zinc/88/92/03/907889203.db2.gz VJONUIUBDZVVDI-KDURUIRLSA-N 1 0 421.589 4.178 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1C ZINC000498473094 907943875 /nfs/dbraw/zinc/94/38/75/907943875.db2.gz MAURYSKISCDAOC-WOJBJXKFSA-N 1 0 407.562 4.073 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000498482409 907952590 /nfs/dbraw/zinc/95/25/90/907952590.db2.gz URVXXOMPCPSDJE-LJQANCHMSA-N 1 0 421.589 4.323 20 30 HIEDRO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000498552662 908013304 /nfs/dbraw/zinc/01/33/04/908013304.db2.gz GJXDFGXLSSPTAO-PKTZIBPZSA-N 1 0 409.530 4.006 20 30 HIEDRO C=CCN(CCc1ccco1)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000498552663 908013940 /nfs/dbraw/zinc/01/39/40/908013940.db2.gz GJXDFGXLSSPTAO-XZOQPEGZSA-N 1 0 409.530 4.006 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000498641012 908081962 /nfs/dbraw/zinc/08/19/62/908081962.db2.gz XLCNRWKPWAPLOH-UHFFFAOYSA-N 1 0 411.571 4.046 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498706265 908131282 /nfs/dbraw/zinc/13/12/82/908131282.db2.gz RAEPGWNOTDGEQU-NFBKMPQASA-N 1 0 407.558 4.303 20 30 HIEDRO CC1CC[NH+](C[C@H]2CCCN(CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)CC1 ZINC000498853365 908257516 /nfs/dbraw/zinc/25/75/16/908257516.db2.gz IXBXWGUHMZYBGF-HXUWFJFHSA-N 1 0 416.997 4.031 20 30 HIEDRO CC1CC[NH+](C[C@@H]2CCCN(CC(=O)N(CCC#N)c3cccc(Cl)c3)C2)CC1 ZINC000498853364 908257753 /nfs/dbraw/zinc/25/77/53/908257753.db2.gz IXBXWGUHMZYBGF-FQEVSTJZSA-N 1 0 416.997 4.031 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(C(=O)N2CCCC2)cc1C)C(C)C ZINC000498857323 908261557 /nfs/dbraw/zinc/26/15/57/908261557.db2.gz ILMYKEPYPFRTDD-JOCHJYFZSA-N 1 0 412.578 4.051 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000499043092 908416161 /nfs/dbraw/zinc/41/61/61/908416161.db2.gz JYKLLUCNDXBKGO-VQTJNVASSA-N 1 0 415.459 4.271 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1cccc(C(F)(F)F)c1 ZINC000499052170 908423275 /nfs/dbraw/zinc/42/32/75/908423275.db2.gz HXJPTUDJVZPTEA-UHFFFAOYSA-N 1 0 421.488 4.260 20 30 HIEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCC2(C#N)CCOCC2)[C@@H]2CCCC[C@@H]12 ZINC000499524031 908828620 /nfs/dbraw/zinc/82/86/20/908828620.db2.gz RRUXIEWWHNBOKS-RTOMLYRKSA-N 1 0 403.611 4.271 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)ccc1OC ZINC000512989409 921457275 /nfs/dbraw/zinc/45/72/75/921457275.db2.gz UEAPVRDWVKOJJX-UHFFFAOYSA-N 1 0 417.937 4.026 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@H](C)[C@@H]3CCOC3)sc2C1 ZINC000500231525 909719231 /nfs/dbraw/zinc/71/92/31/909719231.db2.gz NMGVEZUNMBUFAW-BZUAXINKSA-N 1 0 403.592 4.114 20 30 HIEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)Cc3ccc(C#N)cc3)cc2)C1 ZINC000500646111 909990226 /nfs/dbraw/zinc/99/02/26/909990226.db2.gz QADBOAWZFBJNIJ-WOJBJXKFSA-N 1 0 404.558 4.378 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CCC([NH2+]C(C)C)CC2)cc1OCC ZINC000513102332 921549649 /nfs/dbraw/zinc/54/96/49/921549649.db2.gz XYHOHBXXDLJTCY-UHFFFAOYSA-N 1 0 411.384 4.375 20 30 HIEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000500970934 910213346 /nfs/dbraw/zinc/21/33/46/910213346.db2.gz LNLCKWXRZUDOSM-HSZRJFAPSA-N 1 0 406.530 4.136 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(CCC[NH+](C)C)CC1 ZINC000501785566 910839093 /nfs/dbraw/zinc/83/90/93/910839093.db2.gz MEIILGMHRVKSSE-QGZVFWFLSA-N 1 0 416.635 4.269 20 30 HIEDRO C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCCCC1)C(=O)Nc1ccccc1C#N ZINC000513195395 921614570 /nfs/dbraw/zinc/61/45/70/921614570.db2.gz BEMAINAJFCISGR-QGZVFWFLSA-N 1 0 405.498 4.106 20 30 HIEDRO CCN(C(=O)CCc1c(C)nn(CCC#N)c1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000501959772 910944923 /nfs/dbraw/zinc/94/49/23/910944923.db2.gz IJUKSLHTMZXARV-NFBKMPQASA-N 1 0 421.589 4.030 20 30 HIEDRO Cc1c[nH]c(=O)n1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000501980839 910962231 /nfs/dbraw/zinc/96/22/31/910962231.db2.gz IHVIFUQCSIFRSV-LSDHHAIUSA-N 1 0 423.904 4.089 20 30 HIEDRO C[C@@H]1C[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000502193946 911133912 /nfs/dbraw/zinc/13/39/12/911133912.db2.gz YSQSPJOXORDXGU-CJFMBICVSA-N 1 0 414.553 4.410 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000502296322 911256630 /nfs/dbraw/zinc/25/66/30/911256630.db2.gz XMKQHAKYTROZFJ-QFIPXVFZSA-N 1 0 412.965 4.359 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)NC[C@H]3CCC[N@H+](Cc4cccs4)C3)CC2)cc1 ZINC000502307935 911274011 /nfs/dbraw/zinc/27/40/11/911274011.db2.gz WBORNGZCAJKOFQ-HXUWFJFHSA-N 1 0 420.582 4.331 20 30 HIEDRO COc1cc(C)c(C[C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1OC ZINC000502438699 911420778 /nfs/dbraw/zinc/42/07/78/911420778.db2.gz UYNRFUMMTJSRIE-MDMXATFFSA-N 1 0 409.530 4.190 20 30 HIEDRO CC[C@H]1C[C@]1([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)c1cccc(C)c1 ZINC000502494105 911495603 /nfs/dbraw/zinc/49/56/03/911495603.db2.gz JQEWTKUYWQKKMF-NBGIEHNGSA-N 1 0 422.573 4.175 20 30 HIEDRO COc1ccc([C@H](NC(=O)CN2CC=C(c3ccc(C#N)cc3)CC2)C(C)C)cc1 ZINC000502504595 911509241 /nfs/dbraw/zinc/50/92/41/911509241.db2.gz AJUDOWXGPCIASN-RUZDIDTESA-N 1 0 403.526 4.169 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)COc1ccccc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000502529723 911532525 /nfs/dbraw/zinc/53/25/25/911532525.db2.gz IKWHCCOYZHTLBX-LJQANCHMSA-N 1 0 419.447 4.155 20 30 HIEDRO N#Cc1ccccc1CSCCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000502536339 911541883 /nfs/dbraw/zinc/54/18/83/911541883.db2.gz VAFNXVUPUCQDQA-UHFFFAOYSA-N 1 0 414.619 4.089 20 30 HIEDRO N#Cc1ccc(C2=CC[N@H+](C[C@H](O)COc3c(Cl)cccc3Cl)CC2)cc1 ZINC000502552788 911559555 /nfs/dbraw/zinc/55/95/55/911559555.db2.gz ISFLGEDHLWGFCX-SFHVURJKSA-N 1 0 403.309 4.394 20 30 HIEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506305669 914897020 /nfs/dbraw/zinc/89/70/20/914897020.db2.gz LPPJTQNEUJQWOZ-UHFFFAOYSA-N 1 0 421.507 4.355 20 30 HIEDRO C[C@@H]([NH2+]C1(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCCC1)c1ccccc1 ZINC000506332996 914945669 /nfs/dbraw/zinc/94/56/69/914945669.db2.gz QUZOMCFILBFRKK-JPYJTQIMSA-N 1 0 413.562 4.028 20 30 HIEDRO Cc1ccccc1[C@H](OC[C@@H](O)C[N@@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000506338754 914953231 /nfs/dbraw/zinc/95/32/31/914953231.db2.gz OLZZEWNCDIWWBL-AZGAKELHSA-N 1 0 400.522 4.466 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)c1C#N ZINC000506464922 915063329 /nfs/dbraw/zinc/06/33/29/915063329.db2.gz UEYYQAWRLYSVQM-LJQANCHMSA-N 1 0 410.543 4.021 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](Cc3ccccn3)c3cccnc3)C2)c(F)c1 ZINC000513387924 921758995 /nfs/dbraw/zinc/75/89/95/921758995.db2.gz IOIPUCQYGYAXSL-JTHBVZDNSA-N 1 0 401.489 4.030 20 30 HIEDRO COc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1OCCCC#N ZINC000506620109 915279280 /nfs/dbraw/zinc/27/92/80/915279280.db2.gz UBVZKROCDNKBCA-FQEVSTJZSA-N 1 0 423.561 4.075 20 30 HIEDRO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513406206 921775255 /nfs/dbraw/zinc/77/52/55/921775255.db2.gz OEIXTVQPUUDUFC-WZONZLPQSA-N 1 0 407.533 4.486 20 30 HIEDRO CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1COc2ccccc2O1 ZINC000506807970 915558554 /nfs/dbraw/zinc/55/85/54/915558554.db2.gz WZVLZKYUXFGALQ-NRFANRHFSA-N 1 0 402.498 4.126 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Cl)cc2OCC(F)(F)F)CC1 ZINC000506863270 915651885 /nfs/dbraw/zinc/65/18/85/915651885.db2.gz KJQQRJKRTLZWQJ-UHFFFAOYSA-N 1 0 405.848 4.443 20 30 HIEDRO C=C(C)COc1cc(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)ccc1OC ZINC000507165805 915906235 /nfs/dbraw/zinc/90/62/35/915906235.db2.gz AWWNNOPEOKNEJY-UHFFFAOYSA-N 1 0 408.542 4.353 20 30 HIEDRO COc1ccccc1[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[NH+]1CCCCC1 ZINC000507167180 915908432 /nfs/dbraw/zinc/90/84/32/915908432.db2.gz JHTPCBGJEAEOIL-QFIPXVFZSA-N 1 0 421.516 4.081 20 30 HIEDRO CN(CCCc1cc(-c2ccccc2)no1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000507181066 915927054 /nfs/dbraw/zinc/92/70/54/915927054.db2.gz PMQCJOVQRYRCHH-UHFFFAOYSA-N 1 0 408.889 4.370 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](c3ccccc3C)C2)c1C#N ZINC000507180538 915927187 /nfs/dbraw/zinc/92/71/87/915927187.db2.gz MDBAOUNDAQGBKS-HXUWFJFHSA-N 1 0 416.525 4.354 20 30 HIEDRO COc1cc(OC)c([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1Cl ZINC000507448908 916219732 /nfs/dbraw/zinc/21/97/32/916219732.db2.gz LRTCTVQGYPJXSU-LIRRHRJNSA-N 1 0 413.905 4.075 20 30 HIEDRO CCC[NH+]1CCN(c2ccc(NC(=O)c3ccc(C#N)cc3C)c(OCC)c2)CC1 ZINC000507594158 916348047 /nfs/dbraw/zinc/34/80/47/916348047.db2.gz XJVOLMCYDLCLKV-UHFFFAOYSA-N 1 0 406.530 4.050 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H](Cc2ccccc2)C(=O)N2CCCC2)CC1 ZINC000507654104 916415815 /nfs/dbraw/zinc/41/58/15/916415815.db2.gz RDTZXEGKNWARLZ-MYIFBMMKSA-N 1 0 401.554 4.214 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC000507659884 916421644 /nfs/dbraw/zinc/42/16/44/916421644.db2.gz LQPXVWDJMRERLJ-FUHYEJFZSA-N 1 0 418.459 4.439 20 30 HIEDRO C[C@H]1CN(c2ccc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)cn2)C[C@H](C)O1 ZINC000507661847 916423497 /nfs/dbraw/zinc/42/34/97/916423497.db2.gz XDZULDUOKOJXQH-BVUOJPEUSA-N 1 0 404.558 4.189 20 30 HIEDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)cn2)C[C@@H](C)O1 ZINC000507661850 916424019 /nfs/dbraw/zinc/42/40/19/916424019.db2.gz XDZULDUOKOJXQH-ZYCLUUQBSA-N 1 0 404.558 4.189 20 30 HIEDRO CC[N@H+](C[C@@H](O)COc1ccc(Br)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000507702264 916484923 /nfs/dbraw/zinc/48/49/23/916484923.db2.gz PMVHCOIVULKBBA-HNAYVOBHSA-N 1 0 403.320 4.144 20 30 HIEDRO CCOc1cc(C[NH+]2CCC(C)(C#N)CC2)ccc1OCC(=O)N(C(C)C)C(C)C ZINC000507719810 916512902 /nfs/dbraw/zinc/51/29/02/916512902.db2.gz CHJVNOMBCOOOEK-UHFFFAOYSA-N 1 0 415.578 4.235 20 30 HIEDRO CC(C)C[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)Cc1ccc(C#N)cc1 ZINC000507731520 916526148 /nfs/dbraw/zinc/52/61/48/916526148.db2.gz JOWRYSPCBGSQOG-UHFFFAOYSA-N 1 0 402.498 4.378 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(Oc4cnccn4)cc3)CC2)nc1 ZINC000507768342 916553519 /nfs/dbraw/zinc/55/35/19/916553519.db2.gz GPYQRYCXKKINLB-UHFFFAOYSA-N 1 0 401.470 4.015 20 30 HIEDRO CCOc1cccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1OC(F)F ZINC000507772460 916557494 /nfs/dbraw/zinc/55/74/94/916557494.db2.gz RRHWQIPXBGUTNU-UHFFFAOYSA-N 1 0 417.456 4.433 20 30 HIEDRO COc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1OC(F)F ZINC000507771931 916558727 /nfs/dbraw/zinc/55/87/27/916558727.db2.gz QESFCTSDDUWVMO-UHFFFAOYSA-N 1 0 403.429 4.043 20 30 HIEDRO CC(C)(C)C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1 ZINC000507820009 916615432 /nfs/dbraw/zinc/61/54/32/916615432.db2.gz YSLMKQFFLYGQSV-UHFFFAOYSA-N 1 0 401.514 4.231 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)COc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000507850197 916671087 /nfs/dbraw/zinc/67/10/87/916671087.db2.gz WFEZKOGGTJCHCX-KRWDZBQOSA-N 1 0 421.324 4.148 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000508281845 917095546 /nfs/dbraw/zinc/09/55/46/917095546.db2.gz STJUUCQDVACNML-KRWDZBQOSA-N 1 0 408.502 4.355 20 30 HIEDRO CCOc1cc(C[NH2+]CCSCc2ccccc2C#N)cc(Br)c1O ZINC000508338889 917142303 /nfs/dbraw/zinc/14/23/03/917142303.db2.gz JBFZVVQWBHGPTI-UHFFFAOYSA-N 1 0 421.360 4.448 20 30 HIEDRO CCOc1cc(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)ccc1O[C@H](C)C(=O)N(C)C ZINC000508601883 917371714 /nfs/dbraw/zinc/37/17/14/917371714.db2.gz BERUXQIUFRCKDA-RBUKOAKNSA-N 1 0 423.557 4.396 20 30 HIEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508745550 917503176 /nfs/dbraw/zinc/50/31/76/917503176.db2.gz GDLRFMKYMKSENI-FCHUYYIVSA-N 1 0 423.605 4.442 20 30 HIEDRO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508814780 917569171 /nfs/dbraw/zinc/56/91/71/917569171.db2.gz WKQKNTPNKMQYIQ-MDNUFGMLSA-N 1 0 405.590 4.459 20 30 HIEDRO C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508826553 917578587 /nfs/dbraw/zinc/57/85/87/917578587.db2.gz OGNXIYWARNIJCT-KRWDZBQOSA-N 1 0 415.969 4.322 20 30 HIEDRO C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508829213 917582107 /nfs/dbraw/zinc/58/21/07/917582107.db2.gz SIVMGGSUKMHLIA-RTWAWAEBSA-N 1 0 423.605 4.154 20 30 HIEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000508886098 917640104 /nfs/dbraw/zinc/64/01/04/917640104.db2.gz WXULANRSJQZZIM-UHFFFAOYSA-N 1 0 418.589 4.341 20 30 HIEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)[NH+](C)C ZINC000508901995 917656634 /nfs/dbraw/zinc/65/66/34/917656634.db2.gz VNGSEWXQZNVALB-QVGHQYEOSA-N 1 0 404.558 4.468 20 30 HIEDRO C=CCn1c(Cc2cccc3ccccc32)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508904443 917660124 /nfs/dbraw/zinc/66/01/24/917660124.db2.gz UKXYLSMYLWLFCG-JOCHJYFZSA-N 1 0 401.558 4.273 20 30 HIEDRO C=CCn1c(-c2ccccc2C)nnc1N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000508906720 917661727 /nfs/dbraw/zinc/66/17/27/917661727.db2.gz IEFGACMPZZBAFE-OYRHEFFESA-N 1 0 423.605 4.155 20 30 HIEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508936916 917693560 /nfs/dbraw/zinc/69/35/60/917693560.db2.gz APWYPIJBAVQJPK-DENIHFKCSA-N 1 0 414.557 4.132 20 30 HIEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000508938727 917695084 /nfs/dbraw/zinc/69/50/84/917695084.db2.gz MIDUHUHICKTGRM-FQEVSTJZSA-N 1 0 409.578 4.088 20 30 HIEDRO C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000508954816 917711825 /nfs/dbraw/zinc/71/18/25/917711825.db2.gz YNQFHLQQNHYDSS-NFBKMPQASA-N 1 0 421.589 4.233 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)COc1ccc(-c2ccccc2)cc1 ZINC000508978095 917732217 /nfs/dbraw/zinc/73/22/17/917732217.db2.gz PKKNZJZEQLXRJV-UHFFFAOYSA-N 1 0 413.521 4.194 20 30 HIEDRO C=CCn1c(CCC2CCCCC2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000509010253 917764155 /nfs/dbraw/zinc/76/41/55/917764155.db2.gz ICOURAWWPWDODD-UHFFFAOYSA-N 1 0 415.626 4.058 20 30 HIEDRO C[C@H](OC[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000509062488 917810188 /nfs/dbraw/zinc/81/01/88/917810188.db2.gz GXCWHTLFWAQJRY-LAUBAEHRSA-N 1 0 414.933 4.194 20 30 HIEDRO C=CCc1cc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)cc(OC)c1O ZINC000509347611 918013517 /nfs/dbraw/zinc/01/35/17/918013517.db2.gz AVFVNAZZWPWOOZ-UHFFFAOYSA-N 1 0 415.921 4.028 20 30 HIEDRO COc1ccc(CN(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1OCCCC#N ZINC000509572696 918222597 /nfs/dbraw/zinc/22/25/97/918222597.db2.gz DBCZPXBFNPAQGG-HSZRJFAPSA-N 1 0 407.558 4.474 20 30 HIEDRO CC[N@@H+]1CCC[C@@H](CN(C)c2ccc(C(F)(F)F)c(C#N)c2)[C@@H]1c1cnn(C)c1 ZINC000509603009 918252229 /nfs/dbraw/zinc/25/22/29/918252229.db2.gz QHQOOAXSUDWYER-MGPUTAFESA-N 1 0 405.468 4.220 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)c2)cc1 ZINC000509884703 918486139 /nfs/dbraw/zinc/48/61/39/918486139.db2.gz IZHUHVDQKWNONO-QHCPKHFHSA-N 1 0 418.541 4.424 20 30 HIEDRO Cc1ccc(Br)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000509921448 918521334 /nfs/dbraw/zinc/52/13/34/918521334.db2.gz ZXZAYFOFEDNPPS-UHFFFAOYSA-N 1 0 415.335 4.225 20 30 HIEDRO C=C(CNC(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000510026066 918601643 /nfs/dbraw/zinc/60/16/43/918601643.db2.gz BEGHVHTYTYMORB-UHFFFAOYSA-N 1 0 405.542 4.219 20 30 HIEDRO C[C@@]1(c2ccccc2)CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000510074587 918642732 /nfs/dbraw/zinc/64/27/32/918642732.db2.gz RGHYXAIOISLPIC-RUZDIDTESA-N 1 0 413.525 4.126 20 30 HIEDRO C=CCOc1cccc(NC(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000510537009 918981951 /nfs/dbraw/zinc/98/19/51/918981951.db2.gz ZZCBFYUWKCRQHX-KDURUIRLSA-N 1 0 409.530 4.182 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)cc1OC ZINC000510640962 919082704 /nfs/dbraw/zinc/08/27/04/919082704.db2.gz NSTWZYKFPCBEBC-INIZCTEOSA-N 1 0 420.351 4.136 20 30 HIEDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)CCO1 ZINC000510694271 919131808 /nfs/dbraw/zinc/13/18/08/919131808.db2.gz WYDVIRKBVBCLNW-GOSISDBHSA-N 1 0 420.513 4.068 20 30 HIEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000510819175 919297366 /nfs/dbraw/zinc/29/73/66/919297366.db2.gz BREQKCMFRJLIFU-UHFFFAOYSA-N 1 0 400.400 4.295 20 30 HIEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000510846694 919333149 /nfs/dbraw/zinc/33/31/49/919333149.db2.gz NAZZIXMLYNVSAF-UHFFFAOYSA-N 1 0 403.482 4.050 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(F)(F)c1ccc(Cl)cc1 ZINC000510923559 919439573 /nfs/dbraw/zinc/43/95/73/919439573.db2.gz UGWCFQLDYMWLRR-UHFFFAOYSA-N 1 0 420.891 4.077 20 30 HIEDRO CC1(c2nc3ccccc3s2)CC[NH+]([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000511122516 919735960 /nfs/dbraw/zinc/73/59/60/919735960.db2.gz GVOUVAYKFXCLBH-FQEVSTJZSA-N 1 0 416.550 4.327 20 30 HIEDRO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000511136639 919753338 /nfs/dbraw/zinc/75/33/38/919753338.db2.gz JSCWFWFZMVXUTI-IBGZPJMESA-N 1 0 401.432 4.073 20 30 HIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)c1 ZINC000512226830 920977702 /nfs/dbraw/zinc/97/77/02/920977702.db2.gz PMOLIFNVBHDZKD-IBGZPJMESA-N 1 0 406.404 4.045 20 30 HIEDRO CCCOc1nc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc2ccccc21 ZINC000513484097 921838695 /nfs/dbraw/zinc/83/86/95/921838695.db2.gz MVTYUXQVAXVCGQ-UHFFFAOYSA-N 1 0 416.525 4.099 20 30 HIEDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cc1 ZINC000513747726 922069425 /nfs/dbraw/zinc/06/94/25/922069425.db2.gz UNSXSCNMDPWYNH-UHFFFAOYSA-N 1 0 418.541 4.364 20 30 HIEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000514046208 922366528 /nfs/dbraw/zinc/36/65/28/922366528.db2.gz NZKTVYULIDQGFL-GOTSBHOMSA-N 1 0 406.505 4.036 20 30 HIEDRO COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000514119813 922452344 /nfs/dbraw/zinc/45/23/44/922452344.db2.gz AHKCMAWGHLAVJK-IBGZPJMESA-N 1 0 413.905 4.395 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000514592978 922719695 /nfs/dbraw/zinc/71/96/95/922719695.db2.gz NWRWEQIVUKKIKD-YWZLYKJASA-N 1 0 417.600 4.288 20 30 HIEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000516204904 923597416 /nfs/dbraw/zinc/59/74/16/923597416.db2.gz SVQSXZGVGYHOFQ-INIZCTEOSA-N 1 0 411.575 4.238 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)Cc1csc(Br)c1)C(C)C ZINC000516709750 923857411 /nfs/dbraw/zinc/85/74/11/923857411.db2.gz LRGRZCLRGRSOCT-INIZCTEOSA-N 1 0 414.413 4.351 20 30 HIEDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)ccc1OC1CCCC1 ZINC000516989428 923954304 /nfs/dbraw/zinc/95/43/04/923954304.db2.gz DJQRTRDVLYHYRB-VGOFRKELSA-N 1 0 419.525 4.344 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000517319447 924100507 /nfs/dbraw/zinc/10/05/07/924100507.db2.gz VFXRXIQTCMUSIN-IBGZPJMESA-N 1 0 406.368 4.336 20 30 HIEDRO C[NH+](C)Cc1cccc(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)c1 ZINC000517352839 924126005 /nfs/dbraw/zinc/12/60/05/924126005.db2.gz CXWDEOKOGAHQAK-UHFFFAOYSA-N 1 0 403.457 4.481 20 30 HIEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)c1C#N ZINC000517503009 924233002 /nfs/dbraw/zinc/23/30/02/924233002.db2.gz MGFCDGPXRZVDFM-UHFFFAOYSA-N 1 0 422.539 4.024 20 30 HIEDRO Cc1cccc(OC(F)F)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000517596502 926704372 /nfs/dbraw/zinc/70/43/72/926704372.db2.gz WLWBVVDCTKKIML-UHFFFAOYSA-N 1 0 402.445 4.064 20 30 HIEDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000517664657 926771332 /nfs/dbraw/zinc/77/13/32/926771332.db2.gz NBEVCYKILLBXAH-UHFFFAOYSA-N 1 0 415.493 4.460 20 30 HIEDRO C=C(C)COc1cccc(NC(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)c1 ZINC000518094200 927017372 /nfs/dbraw/zinc/01/73/72/927017372.db2.gz BMRYEHQTVDZSFC-UHFFFAOYSA-N 1 0 401.551 4.187 20 30 HIEDRO C=CCn1c(-c2ccccn2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000518152687 927049883 /nfs/dbraw/zinc/04/98/83/927049883.db2.gz UDLKYTITCFWUBI-PZJWPPBQSA-N 1 0 402.546 4.015 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000518168881 927059996 /nfs/dbraw/zinc/05/99/96/927059996.db2.gz NDBFHHLDQDEDDG-KRWDZBQOSA-N 1 0 409.559 4.119 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)ccc1OC ZINC000518302664 927162444 /nfs/dbraw/zinc/16/24/44/927162444.db2.gz LCALOYHPQDXALL-FQEVSTJZSA-N 1 0 409.505 4.419 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCc2ccc(OC)cc2)Cc2ccccc2)CC1 ZINC000518513884 927318040 /nfs/dbraw/zinc/31/80/40/927318040.db2.gz XNMNHSZJEBDPQT-UHFFFAOYSA-N 1 0 421.585 4.490 20 30 HIEDRO Cc1ccc(C[N@H+](CCc2ccccc2)CC(=O)NCc2ccc(C#N)cc2)s1 ZINC000519907870 928142394 /nfs/dbraw/zinc/14/23/94/928142394.db2.gz MGQSNCLRMBWWFA-UHFFFAOYSA-N 1 0 403.551 4.289 20 30 HIEDRO C=CCCO[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CC(C)(C)[NH2+]C2(C)C ZINC000520000751 928227387 /nfs/dbraw/zinc/22/73/87/928227387.db2.gz HEAXSCANTQPVSR-ZDUSSCGKSA-N 1 0 408.564 4.004 20 30 HIEDRO CC(C)(C)c1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000520157997 928350570 /nfs/dbraw/zinc/35/05/70/928350570.db2.gz SVMLIOKESRKPBD-UHFFFAOYSA-N 1 0 404.558 4.273 20 30 HIEDRO Cc1ccccc1-c1nc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cs1 ZINC000520235551 928404880 /nfs/dbraw/zinc/40/48/80/928404880.db2.gz GOKAEKHEZLDVGR-UHFFFAOYSA-N 1 0 404.539 4.194 20 30 HIEDRO C=CCCO[C@H](C)C(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000520636697 928691614 /nfs/dbraw/zinc/69/16/14/928691614.db2.gz UJQTWBJUJYVXHF-OAQYLSRUSA-N 1 0 407.558 4.237 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)CC1 ZINC000520682801 928730284 /nfs/dbraw/zinc/73/02/84/928730284.db2.gz PYOFZAGVLQYPBG-UHFFFAOYSA-N 1 0 414.553 4.369 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000521121437 929007265 /nfs/dbraw/zinc/00/72/65/929007265.db2.gz IZBFSJBBZWVNLM-WIYYLYMNSA-N 1 0 408.502 4.128 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000521240237 929074006 /nfs/dbraw/zinc/07/40/06/929074006.db2.gz KWRKOXHTMOURFX-HNNXBMFYSA-N 1 0 402.539 4.268 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(OC3CCCC3)c(OC)c2)CC1 ZINC000521594360 929316654 /nfs/dbraw/zinc/31/66/54/929316654.db2.gz YYMDIBFTOBWJQM-QGZVFWFLSA-N 1 0 401.551 4.027 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]CCOc2ccc(F)cc2)cc1OC ZINC000521818920 929476288 /nfs/dbraw/zinc/47/62/88/929476288.db2.gz FUKBFSCUQUNEED-UHFFFAOYSA-N 1 0 410.283 4.330 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1C ZINC000521881582 929531276 /nfs/dbraw/zinc/53/12/76/929531276.db2.gz ZQKLPUGYOHURDS-UHFFFAOYSA-N 1 0 421.589 4.273 20 30 HIEDRO COc1ccccc1CC1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000524484897 929633470 /nfs/dbraw/zinc/63/34/70/929633470.db2.gz GTYJLVYEAIPHPR-LJQANCHMSA-N 1 0 423.532 4.424 20 30 HIEDRO N#Cc1cccc(CNC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000524690843 929800911 /nfs/dbraw/zinc/80/09/11/929800911.db2.gz VLKSVISJPXNASB-UHFFFAOYSA-N 1 0 404.558 4.092 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)CCCCOc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000525039107 929994869 /nfs/dbraw/zinc/99/48/69/929994869.db2.gz FOHQIALLRJJMHP-XXBNENTESA-N 1 0 411.571 4.368 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000525248521 930105120 /nfs/dbraw/zinc/10/51/20/930105120.db2.gz MALZSXHAMMAPIW-GJZGRUSLSA-N 1 0 405.420 4.413 20 30 HIEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)CC1 ZINC000530728400 930810095 /nfs/dbraw/zinc/81/00/95/930810095.db2.gz VUCRGSYCTMPGTH-SFHVURJKSA-N 1 0 402.420 4.006 20 30 HIEDRO N#Cc1cccc(C[NH+]2CCC(Oc3ccccc3I)CC2)c1 ZINC000530940097 930862812 /nfs/dbraw/zinc/86/28/12/930862812.db2.gz MMDIBEQCPLVGKU-UHFFFAOYSA-N 1 0 418.278 4.206 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000531318924 931015615 /nfs/dbraw/zinc/01/56/15/931015615.db2.gz LLUZGVZUPXXWPP-NRFANRHFSA-N 1 0 423.900 4.416 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCc2nc(-c3ccncc3)cs2)c(-c2ccccc2)n1 ZINC000532092164 931308526 /nfs/dbraw/zinc/30/85/26/931308526.db2.gz KCRQLUOJHQOZHF-UHFFFAOYSA-N 1 0 414.538 4.315 20 30 HIEDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1C ZINC000532507191 931466808 /nfs/dbraw/zinc/46/68/08/931466808.db2.gz WEABWHBSBSGRGO-YLJYHZDGSA-N 1 0 408.521 4.290 20 30 HIEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000532690173 931586284 /nfs/dbraw/zinc/58/62/84/931586284.db2.gz HEUZOSKZSAJKSQ-OAQYLSRUSA-N 1 0 409.533 4.437 20 30 HIEDRO COc1cc(C#N)ccc1OCC[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000533045940 931751154 /nfs/dbraw/zinc/75/11/54/931751154.db2.gz XEQORHQJHHOSHI-UHFFFAOYSA-N 1 0 405.473 4.225 20 30 HIEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000533047256 931752162 /nfs/dbraw/zinc/75/21/62/931752162.db2.gz HPJUHOKUFBYZPF-GOSISDBHSA-N 1 0 422.460 4.014 20 30 HIEDRO CC(C)(CO)[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccccc1 ZINC000533466858 931876716 /nfs/dbraw/zinc/87/67/16/931876716.db2.gz SBACWLAPAIVDOF-QHCPKHFHSA-N 1 0 402.542 4.356 20 30 HIEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2c[nH]c3ncccc32)CC1 ZINC000533519642 931892583 /nfs/dbraw/zinc/89/25/83/931892583.db2.gz NPMCDZISNHIQNW-JZGPVCMCSA-N 1 0 407.562 4.062 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCOc2cccc(C(F)(F)F)n2)c(-c2ccccc2)n1 ZINC000533890473 932083998 /nfs/dbraw/zinc/08/39/98/932083998.db2.gz CYDUFMULRCNOQF-UHFFFAOYSA-N 1 0 415.419 4.046 20 30 HIEDRO Cc1cc([C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C2CC2)ccc1F ZINC000533967692 932141870 /nfs/dbraw/zinc/14/18/70/932141870.db2.gz SDXHRUGIKWSXKR-HSZRJFAPSA-N 1 0 408.521 4.230 20 30 HIEDRO C=CCOc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)c1 ZINC000534205434 932330942 /nfs/dbraw/zinc/33/09/42/932330942.db2.gz FVFAOXLJPUPZBU-GOTSBHOMSA-N 1 0 414.594 4.052 20 30 HIEDRO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H]1c1ccccc1 ZINC000534757091 932734781 /nfs/dbraw/zinc/73/47/81/932734781.db2.gz UDYZEZACAXYKQI-NOZRDPDXSA-N 1 0 411.505 4.312 20 30 HIEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000534896130 932827691 /nfs/dbraw/zinc/82/76/91/932827691.db2.gz QKRLGTAFCXPFQD-SFHVURJKSA-N 1 0 415.921 4.091 20 30 HIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000535071789 932897845 /nfs/dbraw/zinc/89/78/45/932897845.db2.gz ZEWXGLBKIXFGKO-DCJWPQLDSA-N 1 0 403.570 4.270 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(-c3ccc4c(c3)C[C@H](C)O4)cc2)CC1 ZINC000535309376 933064272 /nfs/dbraw/zinc/06/42/72/933064272.db2.gz QXEOCDYDQXOGJR-SFHVURJKSA-N 1 0 405.542 4.127 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1 ZINC000535316269 933068403 /nfs/dbraw/zinc/06/84/03/933068403.db2.gz WGXFVGZNDYZVLI-OAQYLSRUSA-N 1 0 415.541 4.064 20 30 HIEDRO N#CCc1ccc(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000535359470 933090814 /nfs/dbraw/zinc/09/08/14/933090814.db2.gz CZMMNWUUKIEJQE-UHFFFAOYSA-N 1 0 424.548 4.323 20 30 HIEDRO C[N@@H+]1CC[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)[C@H]1c1ccccc1 ZINC000535466569 933156396 /nfs/dbraw/zinc/15/63/96/933156396.db2.gz SZRHWBGCYOQDOT-LOSJGSFVSA-N 1 0 411.505 4.312 20 30 HIEDRO COc1ccc(C[C@H](C)C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000535629391 933273844 /nfs/dbraw/zinc/27/38/44/933273844.db2.gz ZOTDJCDQDSZXAB-OALUTQOASA-N 1 0 411.521 4.280 20 30 HIEDRO COc1ccc(C#N)cc1NC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535680706 933332463 /nfs/dbraw/zinc/33/24/63/933332463.db2.gz OVFOTJBZRQKRAA-YWZLYKJASA-N 1 0 416.884 4.174 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC([C@@H](O)C(F)(F)F)CC3)c2)c1 ZINC000537648895 938346784 /nfs/dbraw/zinc/34/67/84/938346784.db2.gz XRHLEEFDTDUAGA-OAQYLSRUSA-N 1 0 404.432 4.272 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)cc1OCC ZINC000537687196 938354270 /nfs/dbraw/zinc/35/42/70/938354270.db2.gz DEUXFAJXNJUVDQ-FUHWJXTLSA-N 1 0 410.352 4.414 20 30 HIEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537897707 938403904 /nfs/dbraw/zinc/40/39/04/938403904.db2.gz LQJVNPBXUCHYSO-UHFFFAOYSA-N 1 0 419.447 4.312 20 30 HIEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000538113281 938505565 /nfs/dbraw/zinc/50/55/65/938505565.db2.gz CSHFLPYJNUGYMG-GOSISDBHSA-N 1 0 419.550 4.326 20 30 HIEDRO COc1cc([C@@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)ccc1OC1CCCC1 ZINC000538153583 938525552 /nfs/dbraw/zinc/52/55/52/938525552.db2.gz WXRIXMURJXTFID-QZTJIDSGSA-N 1 0 413.562 4.398 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000538191355 938546352 /nfs/dbraw/zinc/54/63/52/938546352.db2.gz SPBNQOXIUUBZJJ-LYHRCORUSA-N 1 0 409.555 4.387 20 30 HIEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000538259618 938577075 /nfs/dbraw/zinc/57/70/75/938577075.db2.gz JHJQGCKETNXHCT-QHCPKHFHSA-N 1 0 405.542 4.161 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)cc1OCC ZINC000538751806 938702194 /nfs/dbraw/zinc/70/21/94/938702194.db2.gz OUGLWVFAUMJPLU-IAGOWNOFSA-N 1 0 410.352 4.271 20 30 HIEDRO C[NH+](C)Cc1ccc(CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1F ZINC000539180851 938816733 /nfs/dbraw/zinc/81/67/33/938816733.db2.gz OSTIDDWYUWQVDJ-UHFFFAOYSA-N 1 0 416.500 4.425 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(OCc2cccnc2)cc1 ZINC000539226978 938821687 /nfs/dbraw/zinc/82/16/87/938821687.db2.gz MVSPEBROLWYBAN-INIZCTEOSA-N 1 0 406.511 4.273 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cc1 ZINC000539229922 938822322 /nfs/dbraw/zinc/82/23/22/938822322.db2.gz PDJRSFGHTNNWJL-GOSISDBHSA-N 1 0 416.525 4.323 20 30 HIEDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)cc1 ZINC000539234979 938822900 /nfs/dbraw/zinc/82/29/00/938822900.db2.gz YCJNKHKRMAJMRF-QUCCMNQESA-N 1 0 420.557 4.015 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000539304755 938837600 /nfs/dbraw/zinc/83/76/00/938837600.db2.gz WBBJOXVKYGMZJJ-YTZAWJCFSA-N 1 0 411.521 4.498 20 30 HIEDRO COc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000539377921 938851481 /nfs/dbraw/zinc/85/14/81/938851481.db2.gz WVKHCNGNIDHJTI-OAQYLSRUSA-N 1 0 417.513 4.068 20 30 HIEDRO CCC[C@@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000539422670 938858225 /nfs/dbraw/zinc/85/82/25/938858225.db2.gz BFMXPZQFQOVIMM-JOCHJYFZSA-N 1 0 401.514 4.095 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]CCOc3cccc(Cl)c3Cl)CC2)cc1 ZINC000539495080 938868492 /nfs/dbraw/zinc/86/84/92/938868492.db2.gz CRSYIMAZJPWEIU-UHFFFAOYSA-N 1 0 404.341 4.498 20 30 HIEDRO C=CCNC(=O)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(SCC)cc1 ZINC000539633568 938891165 /nfs/dbraw/zinc/89/11/65/938891165.db2.gz HPLKRYCVNFTBMD-UHFFFAOYSA-N 1 0 406.555 4.043 20 30 HIEDRO C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)cc1 ZINC000539683799 938900547 /nfs/dbraw/zinc/90/05/47/938900547.db2.gz ABJLQYRVUBCAAZ-KRWDZBQOSA-N 1 0 411.933 4.011 20 30 HIEDRO CCN(C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)c1ccc(C#N)c(Cl)c1 ZINC000540273563 939179515 /nfs/dbraw/zinc/17/95/15/939179515.db2.gz PCTBPPBHIIKZCH-UHFFFAOYSA-N 1 0 410.949 4.409 20 30 HIEDRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 ZINC000540333247 939198341 /nfs/dbraw/zinc/19/83/41/939198341.db2.gz ZXGBKXDRHDOQFZ-KRWDZBQOSA-N 1 0 420.513 4.306 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000540375569 939216398 /nfs/dbraw/zinc/21/63/98/939216398.db2.gz HJKCXTPNDJSKHD-QGZVFWFLSA-N 1 0 422.504 4.071 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000540476630 939268360 /nfs/dbraw/zinc/26/83/60/939268360.db2.gz IPRZQTYLDVMRJG-WOJBJXKFSA-N 1 0 420.557 4.281 20 30 HIEDRO C[C@@H]1C[C@H]1[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000540522555 939286911 /nfs/dbraw/zinc/28/69/11/939286911.db2.gz WGWYNQXJVLHNKX-QPJICYPMSA-N 1 0 419.916 4.323 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccnc(OC4CCCCC4)c3)CC2)cc1 ZINC000540593510 939313463 /nfs/dbraw/zinc/31/34/63/939313463.db2.gz HRWHWOBDBQBOFG-UHFFFAOYSA-N 1 0 404.558 4.419 20 30 HIEDRO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540595823 939314344 /nfs/dbraw/zinc/31/43/44/939314344.db2.gz FNXZWYVMIJKYJM-HFZDXXHNSA-N 1 0 402.586 4.023 20 30 HIEDRO C[C@@H]([NH2+]Cc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1cccc(C#N)c1 ZINC000540596106 939315029 /nfs/dbraw/zinc/31/50/29/939315029.db2.gz NWESBILUEZXMHR-GOSISDBHSA-N 1 0 416.525 4.164 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(Br)c(F)c3)CC2)cc1 ZINC000540605853 939317731 /nfs/dbraw/zinc/31/77/31/939317731.db2.gz KUOSEEVZASFFIR-UHFFFAOYSA-N 1 0 402.311 4.214 20 30 HIEDRO COc1ccc([C@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[NH+]2CCCCC2)cc1 ZINC000540694211 939341455 /nfs/dbraw/zinc/34/14/55/939341455.db2.gz NTAWTCFIPPSGHF-QHCPKHFHSA-N 1 0 403.526 4.207 20 30 HIEDRO COc1cc(C[NH2+][C@H](CO)c2cccc(F)c2)ccc1OCc1cccc(C#N)c1 ZINC000541026894 939434350 /nfs/dbraw/zinc/43/43/50/939434350.db2.gz LHXAZDLEAZCJDH-JOCHJYFZSA-N 1 0 406.457 4.108 20 30 HIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1 ZINC000541027754 939434822 /nfs/dbraw/zinc/43/48/22/939434822.db2.gz KUJQOBCYDZTBEI-GIIQAUJJSA-N 1 0 407.562 4.151 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)NCC(=O)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541085633 939454649 /nfs/dbraw/zinc/45/46/49/939454649.db2.gz HEWTWFUYTDKBRS-IBGZPJMESA-N 1 0 411.505 4.265 20 30 HIEDRO COc1ccc(COC[C@@H](O)C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 ZINC000541086353 939455187 /nfs/dbraw/zinc/45/51/87/939455187.db2.gz VYLFUIAFHAQHNN-DFBJGRDBSA-N 1 0 416.521 4.462 20 30 HIEDRO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000541192984 939485062 /nfs/dbraw/zinc/48/50/62/939485062.db2.gz JSMVANMZEAUGJP-QGZVFWFLSA-N 1 0 401.514 4.213 20 30 HIEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000541598674 939563434 /nfs/dbraw/zinc/56/34/34/939563434.db2.gz AERSFVGYJRPMHE-FQEVSTJZSA-N 1 0 419.916 4.416 20 30 HIEDRO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541703703 939609871 /nfs/dbraw/zinc/60/98/71/939609871.db2.gz NSFLNGQIJLTDCY-QUCCMNQESA-N 1 0 401.869 4.141 20 30 HIEDRO CN1CCC[C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1c1cccs1 ZINC000541910179 939651740 /nfs/dbraw/zinc/65/17/40/939651740.db2.gz CIZDRDPGZKWZDB-URXFXBBRSA-N 1 0 408.615 4.257 20 30 HIEDRO NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000542234162 939768499 /nfs/dbraw/zinc/76/84/99/939768499.db2.gz OIDLWRYYFMDRED-OAHLLOKOSA-N 1 0 408.317 4.050 20 30 HIEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542257675 939774842 /nfs/dbraw/zinc/77/48/42/939774842.db2.gz RYTSAVNYYSUQCF-VGSWGCGISA-N 1 0 417.465 4.224 20 30 HIEDRO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000542261601 939776094 /nfs/dbraw/zinc/77/60/94/939776094.db2.gz PCSUBTBMFAVJIB-ICDZXHCJSA-N 1 0 403.526 4.034 20 30 HIEDRO Cc1cc(NC(=O)c2ccc(Cl)c(C#N)c2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000542529851 939838135 /nfs/dbraw/zinc/83/81/35/939838135.db2.gz VNYPNUMDZSIEJL-HXUWFJFHSA-N 1 0 419.916 4.416 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1)C(C)C ZINC000542535662 939839376 /nfs/dbraw/zinc/83/93/76/939839376.db2.gz WFGOLOVYSUBUDL-YPAWHYETSA-N 1 0 403.542 4.044 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000543363319 940042470 /nfs/dbraw/zinc/04/24/70/940042470.db2.gz IOBDOUDPZPQAQY-CYFREDJKSA-N 1 0 402.542 4.143 20 30 HIEDRO COc1ccc([C@H](C[NH+]2CCCC2)Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000543437084 940063945 /nfs/dbraw/zinc/06/39/45/940063945.db2.gz PZPJYUAWYCRIIT-QFIPXVFZSA-N 1 0 417.469 4.272 20 30 HIEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000543517121 940093523 /nfs/dbraw/zinc/09/35/23/940093523.db2.gz MPHHQRKVCBNQRN-OXQOHEQNSA-N 1 0 407.539 4.389 20 30 HIEDRO C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000563816889 945305178 /nfs/dbraw/zinc/30/51/78/945305178.db2.gz WCRPJDCMUASFLJ-APWZRJJASA-N 1 0 409.408 4.246 20 30 HIEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@H](O)COc3ccc(C#N)cc3)s2)cc1 ZINC000544465661 940442970 /nfs/dbraw/zinc/44/29/70/940442970.db2.gz YQJYTYHYECIZJK-KXBFYZLASA-N 1 0 423.538 4.089 20 30 HIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000563906324 945321855 /nfs/dbraw/zinc/32/18/55/945321855.db2.gz SERVPRGUZWLQNA-FQEVSTJZSA-N 1 0 406.505 4.067 20 30 HIEDRO CCC[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000544530307 940472808 /nfs/dbraw/zinc/47/28/08/940472808.db2.gz NKZQYRKNMPPQSF-RBUKOAKNSA-N 1 0 412.578 4.011 20 30 HIEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000563984917 945336335 /nfs/dbraw/zinc/33/63/35/945336335.db2.gz POQQCZSDIBKUSO-UHFFFAOYSA-N 1 0 417.509 4.324 20 30 HIEDRO Cc1csc(C2([NH2+]CCC(=O)Nc3sc4c(c3C#N)CCCC4)CCC2)n1 ZINC000546592215 940859263 /nfs/dbraw/zinc/85/92/63/940859263.db2.gz WMBIUOVNGRMBKS-UHFFFAOYSA-N 1 0 400.573 4.261 20 30 HIEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccc(Br)cc2)c(OC)c1 ZINC000546666422 940867234 /nfs/dbraw/zinc/86/72/34/940867234.db2.gz UOBXPZNJPARMLG-GOSISDBHSA-N 1 0 406.320 4.063 20 30 HIEDRO COc1cc(C#N)ccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000546711015 940871504 /nfs/dbraw/zinc/87/15/04/940871504.db2.gz DUNUEXJGGFTWLP-RBBKRZOGSA-N 1 0 404.514 4.085 20 30 HIEDRO COc1cc(C#N)ccc1OCCCc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000546952475 940925095 /nfs/dbraw/zinc/92/50/95/940925095.db2.gz SRYUBDDYBCDMPM-UHFFFAOYSA-N 1 0 418.497 4.224 20 30 HIEDRO COC(=O)c1ccccc1-c1ccc(C[NH+]2CCC(C#N)(c3ccccn3)CC2)o1 ZINC000548791943 941123969 /nfs/dbraw/zinc/12/39/69/941123969.db2.gz YWVAIPUIGLZXNJ-UHFFFAOYSA-N 1 0 401.466 4.186 20 30 HIEDRO N#CC1(c2ccccn2)CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000548798952 941124573 /nfs/dbraw/zinc/12/45/73/941124573.db2.gz VLFFOQPEJHISIA-HSZRJFAPSA-N 1 0 413.521 4.046 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000549173334 941168418 /nfs/dbraw/zinc/16/84/18/941168418.db2.gz JWODTUWIHUUECR-HUUCEWRRSA-N 1 0 400.320 4.018 20 30 HIEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000549248015 941173874 /nfs/dbraw/zinc/17/38/74/941173874.db2.gz IHHLTGZHPOIYDY-IBGZPJMESA-N 1 0 404.562 4.315 20 30 HIEDRO C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000549326475 941180289 /nfs/dbraw/zinc/18/02/89/941180289.db2.gz PNYNZQZDMKGROM-PMACEKPBSA-N 1 0 415.626 4.228 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000549665933 941203626 /nfs/dbraw/zinc/20/36/26/941203626.db2.gz CFJYVLKFLVLPQF-OAQYLSRUSA-N 1 0 408.594 4.173 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000549670098 941203860 /nfs/dbraw/zinc/20/38/60/941203860.db2.gz OTMYKVOTXLUROD-UHFFFAOYSA-N 1 0 423.605 4.362 20 30 HIEDRO Cc1cc(C#N)cnc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000550914945 941381792 /nfs/dbraw/zinc/38/17/92/941381792.db2.gz ZVSWBPBINNBMPH-PXNSSMCTSA-N 1 0 416.447 4.093 20 30 HIEDRO Cc1cc(C#N)cnc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000550914944 941381971 /nfs/dbraw/zinc/38/19/71/941381971.db2.gz ZVSWBPBINNBMPH-FXAWDEMLSA-N 1 0 416.447 4.093 20 30 HIEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)[C@H](C(F)(F)F)C1 ZINC000551275743 941441378 /nfs/dbraw/zinc/44/13/78/941441378.db2.gz ZQPLUNUBFLOHEG-MANSERQUSA-N 1 0 407.480 4.194 20 30 HIEDRO CCNC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000551427121 941477312 /nfs/dbraw/zinc/47/73/12/941477312.db2.gz IYQVXOBFYPUKLQ-QFIPXVFZSA-N 1 0 421.541 4.027 20 30 HIEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]Cc1ccc(-c2csc(C)n2)s1 ZINC000551961291 941563658 /nfs/dbraw/zinc/56/36/58/941563658.db2.gz WSWSGHJDAUHQOA-QGZVFWFLSA-N 1 0 400.569 4.438 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]C[C@]3(Cc4ccc(F)cc4)CCC[C@H]3O)CC2)cc1 ZINC000552056775 941575915 /nfs/dbraw/zinc/57/59/15/941575915.db2.gz RORGTXCBZDWZMU-JWQCQUIFSA-N 1 0 407.533 4.030 20 30 HIEDRO C=CCC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccco1 ZINC000552253444 941614481 /nfs/dbraw/zinc/61/44/81/941614481.db2.gz DBAUWLYFUWTSBW-NQIIRXRSSA-N 1 0 402.560 4.497 20 30 HIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000552268128 941618170 /nfs/dbraw/zinc/61/81/70/941618170.db2.gz AHGNLIPYSQROQE-HFGNEKBZSA-N 1 0 405.542 4.263 20 30 HIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000552268132 941618241 /nfs/dbraw/zinc/61/82/41/941618241.db2.gz AHGNLIPYSQROQE-WDWDUUAGSA-N 1 0 405.542 4.263 20 30 HIEDRO C[C@H]1C[NH+](Cc2cccc(NC3CCN(c4ccc(C#N)cc4)CC3)c2)C[C@H](C)O1 ZINC000552290071 941623410 /nfs/dbraw/zinc/62/34/10/941623410.db2.gz XENVQUFRTCFKSE-PMACEKPBSA-N 1 0 404.558 4.248 20 30 HIEDRO C[NH+](C)C1(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CCCCC1 ZINC000552700139 941740186 /nfs/dbraw/zinc/74/01/86/941740186.db2.gz QWMOQXZXWSBQMZ-UHFFFAOYSA-N 1 0 416.997 4.199 20 30 HIEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000552816150 941774871 /nfs/dbraw/zinc/77/48/71/941774871.db2.gz FLXPOJGMEKMDDR-UHFFFAOYSA-N 1 0 412.537 4.085 20 30 HIEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000553062120 941826436 /nfs/dbraw/zinc/82/64/36/941826436.db2.gz FFUAXEFEQGSDMP-KRWDZBQOSA-N 1 0 402.947 4.250 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1Br ZINC000553202443 941848132 /nfs/dbraw/zinc/84/81/32/941848132.db2.gz RQZFMTDCBBUCDF-NEPJUHHUSA-N 1 0 420.307 4.217 20 30 HIEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553208042 941849469 /nfs/dbraw/zinc/84/94/69/941849469.db2.gz MZUIFDIZVZJQAQ-MSOLQXFVSA-N 1 0 416.997 4.055 20 30 HIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CCC[C@H]2c2cccnc2)c1C#N ZINC000554245439 942076322 /nfs/dbraw/zinc/07/63/22/942076322.db2.gz BJWNHUZKXDHKOX-QHCPKHFHSA-N 1 0 413.525 4.196 20 30 HIEDRO C[C@](CO)(NCc1ccc(Br)cc1C#N)c1ccc(Br)cc1 ZINC000554255840 942080843 /nfs/dbraw/zinc/08/08/43/942080843.db2.gz DQQQLNJDJHNVSU-QGZVFWFLSA-N 1 0 424.136 4.081 20 30 HIEDRO C[C@H]1CCc2c(sc3nc(CC[N@H+](Cc4ccc(C#N)cc4)C4CC4)nc(N)c23)C1 ZINC000554351347 942109901 /nfs/dbraw/zinc/10/99/01/942109901.db2.gz DVVSMTQDPXILEJ-HNNXBMFYSA-N 1 0 417.582 4.477 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2COc3ccccc32)cc1OC ZINC000554729724 942213649 /nfs/dbraw/zinc/21/36/49/942213649.db2.gz PINFAGHNBCYFJV-OAHLLOKOSA-N 1 0 404.304 4.288 20 30 HIEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)c1C#N ZINC000554840966 942278123 /nfs/dbraw/zinc/27/81/23/942278123.db2.gz KRAPIFVGZXMLSC-MRXNPFEDSA-N 1 0 415.472 4.266 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000555263687 942452058 /nfs/dbraw/zinc/45/20/58/942452058.db2.gz OFNIMJXBUHUYKM-PUHATCMVSA-N 1 0 423.605 4.268 20 30 HIEDRO C=CCc1cc(C[NH2+][C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc(OC)c1O ZINC000555627826 942680280 /nfs/dbraw/zinc/68/02/80/942680280.db2.gz YDXYQTVNQYBKAB-KKSFZXQISA-N 1 0 412.505 4.110 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000555753152 942721632 /nfs/dbraw/zinc/72/16/32/942721632.db2.gz RQBJRIAVFFXOLJ-NRFANRHFSA-N 1 0 402.539 4.049 20 30 HIEDRO C=CCN1CCC([NH2+]Cc2cc(Br)c(C)c(Br)c2)CC1 ZINC000556386601 942854175 /nfs/dbraw/zinc/85/41/75/942854175.db2.gz JJAWRVSITGQIGD-UHFFFAOYSA-N 1 0 402.174 4.260 20 30 HIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000556878556 942948102 /nfs/dbraw/zinc/94/81/02/942948102.db2.gz YSYINKGYCOWVKO-VDKIKQQVSA-N 1 0 419.569 4.491 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000556883942 942950276 /nfs/dbraw/zinc/95/02/76/942950276.db2.gz IKHUEKBKFXMZGL-URZJWIJPSA-N 1 0 413.468 4.190 20 30 HIEDRO N#Cc1ccc(N2CCC(Nc3cccc(N4CC[NH+](CC5CC5)CC4)c3)CC2)cc1 ZINC000556886376 942951206 /nfs/dbraw/zinc/95/12/06/942951206.db2.gz LWQWCHUNWWOJEI-UHFFFAOYSA-N 1 0 415.585 4.171 20 30 HIEDRO COc1ccc(C[C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c(C)c1OC ZINC000556892722 942954212 /nfs/dbraw/zinc/95/42/12/942954212.db2.gz MHGIWPOMZWEURF-ATIQYGATSA-N 1 0 409.530 4.190 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000556926929 942969423 /nfs/dbraw/zinc/96/94/23/942969423.db2.gz HVGHZKMDQZAOMS-KRWDZBQOSA-N 1 0 423.395 4.330 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)[C@@H](C)c2ccncc2)c1C#N ZINC000556974729 942986348 /nfs/dbraw/zinc/98/63/48/942986348.db2.gz IWGNKSHHAYRISP-SFHVURJKSA-N 1 0 405.502 4.035 20 30 HIEDRO N#Cc1ccc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000557430863 943121501 /nfs/dbraw/zinc/12/15/01/943121501.db2.gz IAUHDKLBNWLFLC-OAQYLSRUSA-N 1 0 416.550 4.322 20 30 HIEDRO C[C@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[N@@H+]1CCCC[C@H]1C ZINC000557430290 943121736 /nfs/dbraw/zinc/12/17/36/943121736.db2.gz WVWVEDPVRHBPFX-QZTJIDSGSA-N 1 0 416.997 4.197 20 30 HIEDRO N#Cc1cc(NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc(N)c1[N+](=O)[O-] ZINC000557502612 943173734 /nfs/dbraw/zinc/17/37/34/943173734.db2.gz POTSKWPDEIJVAY-UHFFFAOYSA-N 1 0 419.407 4.144 20 30 HIEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)cc(OC)c1O ZINC000557521538 943187890 /nfs/dbraw/zinc/18/78/90/943187890.db2.gz NUTZDEPBSLTXDI-HXUWFJFHSA-N 1 0 404.514 4.294 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)c(C)c1OC ZINC000558156395 943399487 /nfs/dbraw/zinc/39/94/87/943399487.db2.gz NDIWYUDOFPHUBX-MRXNPFEDSA-N 1 0 415.921 4.263 20 30 HIEDRO COc1ccc(-c2csc(NC(=O)[C@@H](C)[NH2+][C@H](C)c3ccc(C#N)cc3)n2)cc1 ZINC000558741607 943637569 /nfs/dbraw/zinc/63/75/69/943637569.db2.gz JHBAZLYZTUQUCM-HUUCEWRRSA-N 1 0 406.511 4.368 20 30 HIEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)C1 ZINC000558900966 943735690 /nfs/dbraw/zinc/73/56/90/943735690.db2.gz OREKZQLJVKUEIG-JOCHJYFZSA-N 1 0 414.557 4.033 20 30 HIEDRO CCN1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000558902087 943736411 /nfs/dbraw/zinc/73/64/11/943736411.db2.gz MGEALVDNMSQOIY-OREJSRFESA-N 1 0 414.912 4.103 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000558992586 943792099 /nfs/dbraw/zinc/79/20/99/943792099.db2.gz WMDQKEDPYDXBNR-NRFANRHFSA-N 1 0 411.594 4.218 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc1OC ZINC000559343205 943900122 /nfs/dbraw/zinc/90/01/22/943900122.db2.gz YHKAHXXEOMHPOZ-UTKZUKDTSA-N 1 0 412.505 4.241 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(OCc2cccnc2)cc1 ZINC000559560579 944004855 /nfs/dbraw/zinc/00/48/55/944004855.db2.gz CIMMBHIECAWWRR-HRAATJIYSA-N 1 0 418.522 4.050 20 30 HIEDRO N#Cc1cccc(C2([NH2+]Cc3cc(Br)cc(Br)c3N)CC2)c1 ZINC000560284730 944218791 /nfs/dbraw/zinc/21/87/91/944218791.db2.gz RDLYWUXRPQRADB-UHFFFAOYSA-N 1 0 421.136 4.444 20 30 HIEDRO CCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C[C@@H]1CCCCO1 ZINC000561007329 944394006 /nfs/dbraw/zinc/39/40/06/944394006.db2.gz NNKODICOOOIVEE-FQEVSTJZSA-N 1 0 400.567 4.311 20 30 HIEDRO Cc1oc(C#N)cc1C(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000561074684 944430351 /nfs/dbraw/zinc/43/03/51/944430351.db2.gz CYUNBBKJFYCRDS-QFIPXVFZSA-N 1 0 414.509 4.162 20 30 HIEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000561127021 944467812 /nfs/dbraw/zinc/46/78/12/944467812.db2.gz NDFSSZKWYQIZBI-QZTJIDSGSA-N 1 0 416.997 4.197 20 30 HIEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000561976007 944883234 /nfs/dbraw/zinc/88/32/34/944883234.db2.gz XOPNDXQXMFNJEQ-QFIPXVFZSA-N 1 0 403.526 4.074 20 30 HIEDRO N#CC1(CCC[N@H+](CCc2ccc(Cl)cc2)C[C@H](O)C(F)(F)F)CCOCC1 ZINC000564152121 945403152 /nfs/dbraw/zinc/40/31/52/945403152.db2.gz MADLWELFTWEXCX-SFHVURJKSA-N 1 0 418.887 4.208 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000564412530 945564346 /nfs/dbraw/zinc/56/43/46/945564346.db2.gz FEQYCDZFQLDYQS-NRFANRHFSA-N 1 0 420.557 4.026 20 30 HIEDRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)c2cc(C#N)cs2)CC1 ZINC000564590786 945691529 /nfs/dbraw/zinc/69/15/29/945691529.db2.gz GIBLFXPGONJZIO-UHFFFAOYSA-N 1 0 418.360 4.119 20 30 HIEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)c1ccco1 ZINC000565265025 945796336 /nfs/dbraw/zinc/79/63/36/945796336.db2.gz NGGRVWOTLUFTCN-OXJNMPFZSA-N 1 0 407.470 4.182 20 30 HIEDRO C=CCOc1c(Br)cc(CNc2c[nH+]ccc2-n2cccn2)cc1OC ZINC000565799778 945886505 /nfs/dbraw/zinc/88/65/05/945886505.db2.gz AYCUQIGXUONLJN-UHFFFAOYSA-N 1 0 415.291 4.215 20 30 HIEDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000566038985 945988527 /nfs/dbraw/zinc/98/85/27/945988527.db2.gz UMGAWZAALZPTDJ-FDDCHVKYSA-N 1 0 421.516 4.145 20 30 HIEDRO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000566331115 946002385 /nfs/dbraw/zinc/00/23/85/946002385.db2.gz ODOIKYOEIXWMFY-RUZDIDTESA-N 1 0 402.586 4.417 20 30 HIEDRO C=CCn1c(C2CCC2)nnc1N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000567795481 946412950 /nfs/dbraw/zinc/41/29/50/946412950.db2.gz AARJNJKHXQPONN-UHFFFAOYSA-N 1 0 419.495 4.463 20 30 HIEDRO Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)cc2)cs1 ZINC000568307894 946497309 /nfs/dbraw/zinc/49/73/09/946497309.db2.gz DEOYWNJATWUQLU-HRAATJIYSA-N 1 0 407.539 4.275 20 30 HIEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000568438375 946545451 /nfs/dbraw/zinc/54/54/51/946545451.db2.gz QZFRIEUSKZOMPS-KRWDZBQOSA-N 1 0 407.518 4.052 20 30 HIEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000568959953 946779998 /nfs/dbraw/zinc/77/99/98/946779998.db2.gz WSAABINPOMEWKI-QGZVFWFLSA-N 1 0 404.986 4.055 20 30 HIEDRO N#CCCCOc1cccc(C[N@H+]2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)c1 ZINC000569626061 946899026 /nfs/dbraw/zinc/89/90/26/946899026.db2.gz SXVVZYDGWKIRQD-IBGZPJMESA-N 1 0 405.420 4.436 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(C(F)(F)F)cn1 ZINC000570648213 947321327 /nfs/dbraw/zinc/32/13/27/947321327.db2.gz KUIIJEUBDZYBHO-UHFFFAOYSA-N 1 0 411.497 4.199 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000572412084 947896657 /nfs/dbraw/zinc/89/66/57/947896657.db2.gz QVWUXKLJTBUMAC-VGSWGCGISA-N 1 0 411.571 4.226 20 30 HIEDRO N#Cc1ccc(CNc2ccccc2C[NH+]2CCC(CO)CC2)c(C(F)(F)F)c1 ZINC000572895168 948032286 /nfs/dbraw/zinc/03/22/86/948032286.db2.gz KPEIFOAYGOXMIQ-UHFFFAOYSA-N 1 0 403.448 4.393 20 30 HIEDRO CN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573142562 948087116 /nfs/dbraw/zinc/08/71/16/948087116.db2.gz ARYBCZSLWITYCQ-HKUYNNGSSA-N 1 0 409.839 4.487 20 30 HIEDRO N#CC(CC[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000573314726 948156100 /nfs/dbraw/zinc/15/61/00/948156100.db2.gz VGXJDGZRTYUNBQ-JWQCQUIFSA-N 1 0 403.570 4.119 20 30 HIEDRO C[C@@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC[N@@H+](C2CCC2)C1 ZINC000573450559 948206006 /nfs/dbraw/zinc/20/60/06/948206006.db2.gz VRKWCXKUXCNPOK-IBGZPJMESA-N 1 0 403.526 4.084 20 30 HIEDRO N#Cc1ccccc1C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000573821446 948302287 /nfs/dbraw/zinc/30/22/87/948302287.db2.gz XNJUOOBKPCRGFT-UHFFFAOYSA-N 1 0 403.295 4.341 20 30 HIEDRO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1OCCCC#N ZINC000573883756 948319845 /nfs/dbraw/zinc/31/98/45/948319845.db2.gz JMBRZHYPQJBYEX-ZLNRFVROSA-N 1 0 406.526 4.382 20 30 HIEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H]1c1ccccc1 ZINC000574006528 948348786 /nfs/dbraw/zinc/34/87/86/948348786.db2.gz SUUNPIRDSQUYRP-DHIUTWEWSA-N 1 0 413.481 4.312 20 30 HIEDRO N#Cc1ccc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)c(C(F)(F)F)c1 ZINC000574049987 948353456 /nfs/dbraw/zinc/35/34/56/948353456.db2.gz VNJQJJSURXGEOC-HXUWFJFHSA-N 1 0 423.866 4.394 20 30 HIEDRO N#Cc1ccc(CN[C@@H](CO)c2ccccc2OC(F)(F)F)c(C(F)(F)F)c1 ZINC000574562685 948475943 /nfs/dbraw/zinc/47/59/43/948475943.db2.gz CKHPBSMYRYWNQM-HNNXBMFYSA-N 1 0 404.310 4.299 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000574698723 948506115 /nfs/dbraw/zinc/50/61/15/948506115.db2.gz YKKWNDHPNPMYPF-GOSISDBHSA-N 1 0 413.541 4.198 20 30 HIEDRO COc1nc(N2CCC3(CC2)CC[NH+](Cc2ccc(C)cc2)CC3)c(F)cc1C#N ZINC001164758827 721046049 /nfs/dbraw/zinc/04/60/49/721046049.db2.gz CICFNWMQXGMXNN-UHFFFAOYSA-N 1 0 408.521 4.292 20 30 HIEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(-c3ccncc3)ccc1C#N)CC2 ZINC001164796385 721499558 /nfs/dbraw/zinc/49/95/58/721499558.db2.gz SYTYIHDIHMBRLG-UHFFFAOYSA-N 1 0 424.552 4.291 20 30 HIEDRO Cc1c(Cl)c(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N ZINC001164900527 721520549 /nfs/dbraw/zinc/52/05/49/721520549.db2.gz RVZVPCAJPAXLPE-GDBMZVCRSA-N 1 0 421.303 4.050 20 30 HIEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909894 721551752 /nfs/dbraw/zinc/55/17/52/721551752.db2.gz VDLGEOZVZMWZSK-FUHWJXTLSA-N 1 0 422.891 4.241 20 30 HIEDRO N#Cc1cc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc2ccccc12 ZINC001164907787 721724283 /nfs/dbraw/zinc/72/42/83/721724283.db2.gz UBZCCYIEUPZOEK-QHCPKHFHSA-N 1 0 419.479 4.239 20 30 HIEDRO COc1ccc(NC(=S)C(C(=O)c2ccc(C)c(C)c2)[n+]2cccc(CO)c2)cc1 ZINC000007611402 845373144 /nfs/dbraw/zinc/37/31/44/845373144.db2.gz ONMGMOPASSNTAI-UHFFFAOYSA-O 1 0 421.542 4.143 20 30 HIEDRO Cc1ccc(NC(=S)C(C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccccc2)cc1F ZINC000007746892 845404632 /nfs/dbraw/zinc/40/46/32/845404632.db2.gz LOPDPYZPXALUIG-UHFFFAOYSA-O 1 0 410.450 4.381 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1ccccc1)C(=S)Nc1ccc2c(c1)OCCO2 ZINC000010179577 845627194 /nfs/dbraw/zinc/62/71/94/845627194.db2.gz ISLCSDPJGSHQPW-UHFFFAOYSA-O 1 0 419.526 4.359 20 30 HIEDRO Cc1ccc(C)c(C(=O)C(C(=S)Nc2ccc(F)cc2)[n+]2cccc(CO)c2)c1 ZINC000010829440 845712631 /nfs/dbraw/zinc/71/26/31/845712631.db2.gz FKEOZYJACPTPDL-UHFFFAOYSA-O 1 0 409.506 4.273 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1ccc(CC)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000436295677 861602633 /nfs/dbraw/zinc/60/26/33/861602633.db2.gz PZUHOHSNSDUJQX-NHTMILBNSA-N 1 0 413.583 4.313 20 30 HIEDRO Cc1ccc(C)c(C(=O)C(C(=S)Nc2ccccc2C)[n+]2cccc(CO)c2)c1 ZINC000011167679 845761910 /nfs/dbraw/zinc/76/19/10/845761910.db2.gz YTZZOLGCRZWYHJ-UHFFFAOYSA-O 1 0 405.543 4.443 20 30 HIEDRO CCc1cccc(NC(=S)C(C(=O)c2ccc(OC)cc2)[n+]2cccc(CO)c2)c1 ZINC000015247799 846023198 /nfs/dbraw/zinc/02/31/98/846023198.db2.gz QBIQHAQIPKGDEX-UHFFFAOYSA-O 1 0 421.542 4.088 20 30 HIEDRO COc1ccc(C(=O)C(C(=S)NC2CC2)[n+]2ccc(Cc3ccccc3)cc2)cc1 ZINC000022689080 846603766 /nfs/dbraw/zinc/60/37/66/846603766.db2.gz LIIYDKVDMIZTIC-UHFFFAOYSA-O 1 0 417.554 4.264 20 30 HIEDRO CCNC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022686637 846604348 /nfs/dbraw/zinc/60/43/48/846604348.db2.gz PGLSWNYCPGXFNJ-UHFFFAOYSA-O 1 0 411.497 4.391 20 30 HIEDRO COc1ccc(CNC(=S)C(C(=O)c2ccc(C)s2)[n+]2cccc(C)c2)cc1 ZINC000022693030 846605477 /nfs/dbraw/zinc/60/54/77/846605477.db2.gz RVNDOQBXTUUAHY-UHFFFAOYSA-O 1 0 411.572 4.390 20 30 HIEDRO Cc1ccc(C(=O)C(C(=S)Nc2ccc(F)cc2)[n+]2cccc(CO)c2)s1 ZINC000022730524 846610473 /nfs/dbraw/zinc/61/04/73/846610473.db2.gz PFKRULRKZFBFMS-UHFFFAOYSA-O 1 0 401.508 4.026 20 30 HIEDRO COc1ccc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2cccc(C)c2)cc1 ZINC000022791363 846620938 /nfs/dbraw/zinc/62/09/38/846620938.db2.gz ZXXSDYBXKKTOGW-UHFFFAOYSA-O 1 0 405.543 4.062 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc2c(c1)CCCC2 ZINC000022796184 846621554 /nfs/dbraw/zinc/62/15/54/846621554.db2.gz VJWOSOBRYSDUTD-UHFFFAOYSA-O 1 0 424.590 4.105 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027953415 847367145 /nfs/dbraw/zinc/36/71/45/847367145.db2.gz DRGSNNBCADFJIT-RTBURBONSA-N 1 0 411.571 4.002 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000027953420 847367335 /nfs/dbraw/zinc/36/73/35/847367335.db2.gz DRGSNNBCADFJIT-RBUKOAKNSA-N 1 0 411.571 4.002 20 30 HIEDRO Cc1cccc(C(C)C)c1NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028960677 847484891 /nfs/dbraw/zinc/48/48/91/847484891.db2.gz CBOFTGQWSGMURG-UHFFFAOYSA-N 1 0 404.558 4.137 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)c1C#N ZINC000032369231 848014612 /nfs/dbraw/zinc/01/46/12/848014612.db2.gz ANDWVKJQRORBHD-UHFFFAOYSA-N 1 0 420.582 4.119 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccsc1 ZINC000032638225 848058350 /nfs/dbraw/zinc/05/83/50/848058350.db2.gz ISKUWUGMSAADLX-QFIPXVFZSA-N 1 0 405.523 4.231 20 30 HIEDRO CC(C)Oc1cccc([C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000046654088 848900266 /nfs/dbraw/zinc/90/02/66/848900266.db2.gz ATCXYQMWRJSSJJ-LJQANCHMSA-N 1 0 408.546 4.180 20 30 HIEDRO N#Cc1cc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)ccc1OCC(F)(F)F ZINC000047309430 849023532 /nfs/dbraw/zinc/02/35/32/849023532.db2.gz OPHMTPPADLXJGQ-UHFFFAOYSA-N 1 0 417.431 4.350 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)N3CCC([NH+]4CCCC4)CC3)c2)cc1 ZINC000047570434 849074328 /nfs/dbraw/zinc/07/43/28/849074328.db2.gz XENWFOSVIGTBAJ-UHFFFAOYSA-N 1 0 418.541 4.424 20 30 HIEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000047608979 849084549 /nfs/dbraw/zinc/08/45/49/849084549.db2.gz RWJRWVVEOCEHDG-KGLIPLIRSA-N 1 0 401.894 4.297 20 30 HIEDRO N#Cc1cc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)ccc1OCC(F)(F)F ZINC000050032899 849343733 /nfs/dbraw/zinc/34/37/33/849343733.db2.gz WUIYANYERHYITH-UHFFFAOYSA-N 1 0 403.404 4.347 20 30 HIEDRO COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000056931997 850518642 /nfs/dbraw/zinc/51/86/42/850518642.db2.gz ZQDZYPOMEDFFSQ-PGRDOPGGSA-N 1 0 406.530 4.154 20 30 HIEDRO N#Cc1ccc(CN(CC(F)(F)F)C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000058813131 850934711 /nfs/dbraw/zinc/93/47/11/850934711.db2.gz TVZSKJMJXSMLPQ-NRFANRHFSA-N 1 0 415.459 4.361 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+](Cc2ccco2)C[C@H]2CCCO2)sc2c1CCCC2 ZINC000060090330 851039825 /nfs/dbraw/zinc/03/98/25/851039825.db2.gz ZHXIQXAACMJZKK-QGZVFWFLSA-N 1 0 413.543 4.101 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(Cl)cc1Cl ZINC000060576018 851153700 /nfs/dbraw/zinc/15/37/00/851153700.db2.gz UVNDLOYHSYTEIS-UHFFFAOYSA-N 1 0 404.341 4.388 20 30 HIEDRO C=CCOc1c(Br)cc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000061003146 851269612 /nfs/dbraw/zinc/26/96/12/851269612.db2.gz CZXBNYDTMJIEIR-UHFFFAOYSA-N 1 0 411.384 4.421 20 30 HIEDRO CC(C)CC(=O)N1CCC([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000062256787 851518928 /nfs/dbraw/zinc/51/89/28/851518928.db2.gz CFOJAVDRRWXAAX-UHFFFAOYSA-N 1 0 405.542 4.264 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000062407215 851543789 /nfs/dbraw/zinc/54/37/89/851543789.db2.gz XMZMNVJJZUJXMF-UHFFFAOYSA-N 1 0 416.472 4.219 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000063401839 851679125 /nfs/dbraw/zinc/67/91/25/851679125.db2.gz RQBJRIAVFFXOLJ-OAQYLSRUSA-N 1 0 402.539 4.049 20 30 HIEDRO C=CCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1ccc(CCC)cc1 ZINC000063440158 851690017 /nfs/dbraw/zinc/69/00/17/851690017.db2.gz OVGMJSZJOMIVPJ-UHFFFAOYSA-O 1 0 412.579 4.043 20 30 HIEDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1C ZINC000437089683 862281147 /nfs/dbraw/zinc/28/11/47/862281147.db2.gz CAGBKZAXFOICKB-MDMXATFFSA-N 1 0 406.530 4.267 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000064130041 851833499 /nfs/dbraw/zinc/83/34/99/851833499.db2.gz OBAHIGKHIXJQLV-JOCHJYFZSA-N 1 0 410.606 4.137 20 30 HIEDRO N#Cc1ccc(CN(CC(F)(F)F)C(=O)C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000065873531 852296045 /nfs/dbraw/zinc/29/60/45/852296045.db2.gz STHOVFOGNMYCQQ-UHFFFAOYSA-N 1 0 415.459 4.361 20 30 HIEDRO C=CCc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc(OC)c1OC ZINC000065936944 852324870 /nfs/dbraw/zinc/32/48/70/852324870.db2.gz GVJRVDUYODWFTL-UHFFFAOYSA-N 1 0 416.949 4.290 20 30 HIEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000097357857 852604479 /nfs/dbraw/zinc/60/44/79/852604479.db2.gz HEFMTMQSKNFSGC-GOSISDBHSA-N 1 0 421.488 4.255 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)sc2c1CCC2 ZINC000105422278 852704257 /nfs/dbraw/zinc/70/42/57/852704257.db2.gz HTOKXJYWSHPUJW-HNNXBMFYSA-N 1 0 415.584 4.180 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CCN1CCC[N@H+](Cc3ccccc3)CC1)CCCC2 ZINC000105541407 852712424 /nfs/dbraw/zinc/71/24/24/852712424.db2.gz MQCJZOLKNPQOEW-UHFFFAOYSA-N 1 0 422.598 4.035 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)cc(Br)c1 ZINC000437215214 862406096 /nfs/dbraw/zinc/40/60/96/862406096.db2.gz JKGYJPVHNVYVMM-UHFFFAOYSA-N 1 0 420.738 4.178 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH+]2CCC([C@H](O)c3ccccc3)CC2)sc2c1CCCC2 ZINC000109094600 852920958 /nfs/dbraw/zinc/92/09/58/852920958.db2.gz BTEDBMYFNVDZKT-HSZRJFAPSA-N 1 0 423.582 4.273 20 30 HIEDRO C#CC[N@@H+](CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@H]1CCc2ccccc21 ZINC000110981751 853178706 /nfs/dbraw/zinc/17/87/06/853178706.db2.gz CLVPGGTWGDULJP-DEOSSOPVSA-N 1 0 412.537 4.440 20 30 HIEDRO N#Cc1ccccc1NC(=O)CC[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000112543723 853231896 /nfs/dbraw/zinc/23/18/96/853231896.db2.gz ALGJDECCBGDROT-UHFFFAOYSA-N 1 0 402.473 4.166 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NCc2ccccc2N2CC[NH+](CC)CC2)cc1 ZINC000437240440 862452901 /nfs/dbraw/zinc/45/29/01/862452901.db2.gz PXEHJGXPDRMXLL-UHFFFAOYSA-N 1 0 418.585 4.255 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2ccc(Cl)s2)C(=S)NCCSC)cc1 ZINC000131245877 853372365 /nfs/dbraw/zinc/37/23/65/853372365.db2.gz YWLVHBHNFOAZEZ-UHFFFAOYSA-O 1 0 400.014 4.143 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)sc2c1CCC2 ZINC000165880603 853653951 /nfs/dbraw/zinc/65/39/51/853653951.db2.gz GYKYUEYPHCBIHU-GOSISDBHSA-N 1 0 409.555 4.118 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1c(C)noc1C)C(=S)N[C@H]1CCCC[C@H]1C ZINC000186962842 853668949 /nfs/dbraw/zinc/66/89/49/853668949.db2.gz NZLFYIZJPGRPSK-KDOFPFPSSA-O 1 0 400.568 4.248 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]CCN(C)c2ccccc2)cc1OC ZINC000195569210 853688268 /nfs/dbraw/zinc/68/82/68/853688268.db2.gz QLOSGZPSQOVKIA-UHFFFAOYSA-N 1 0 405.336 4.249 20 30 HIEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000195678537 853752943 /nfs/dbraw/zinc/75/29/43/853752943.db2.gz GLQFXZQCXFXITO-AQNXPRMDSA-N 1 0 405.542 4.120 20 30 HIEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000227244184 853883643 /nfs/dbraw/zinc/88/36/43/853883643.db2.gz DPCQBQKBZXDAMT-AAXCNWCCSA-N 1 0 408.546 4.327 20 30 HIEDRO C=CCN1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236663721 853909388 /nfs/dbraw/zinc/90/93/88/853909388.db2.gz JRRHRZKOHLSZST-UHFFFAOYSA-N 1 0 417.513 4.188 20 30 HIEDRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000236679625 853911400 /nfs/dbraw/zinc/91/14/00/853911400.db2.gz XXTIZTCBXOGVLL-DHIUTWEWSA-N 1 0 405.542 4.310 20 30 HIEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)CC1 ZINC000236692294 853912312 /nfs/dbraw/zinc/91/23/12/853912312.db2.gz NDCRNPRDANJDNS-UHFFFAOYSA-N 1 0 404.558 4.352 20 30 HIEDRO CCCC(=O)Nc1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000236759795 853920750 /nfs/dbraw/zinc/92/07/50/853920750.db2.gz CLEDIBPBWUKKDK-UHFFFAOYSA-N 1 0 401.514 4.492 20 30 HIEDRO CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000236783178 853922393 /nfs/dbraw/zinc/92/23/93/853922393.db2.gz MUAUAMCYCWQEIO-UHFFFAOYSA-N 1 0 423.561 4.389 20 30 HIEDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000236897499 853933963 /nfs/dbraw/zinc/93/39/63/853933963.db2.gz GTQKDNRNWBZZCA-LJQANCHMSA-N 1 0 415.541 4.282 20 30 HIEDRO CC[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000236952908 853941619 /nfs/dbraw/zinc/94/16/19/853941619.db2.gz GTFIQFAWVSAMAR-NRFANRHFSA-N 1 0 402.498 4.476 20 30 HIEDRO CCOc1ccc(C2(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)CCOCC2)cc1 ZINC000236967321 853944331 /nfs/dbraw/zinc/94/43/31/853944331.db2.gz VJDIKUCEURNIEG-UHFFFAOYSA-N 1 0 407.558 4.273 20 30 HIEDRO CC[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)N1CCc2ccccc2C1 ZINC000236995081 853948484 /nfs/dbraw/zinc/94/84/84/853948484.db2.gz JKKVDEANXDJFIQ-VWLOTQADSA-N 1 0 413.569 4.390 20 30 HIEDRO C=CCc1cc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)cc(OC)c1O ZINC000237141061 853971361 /nfs/dbraw/zinc/97/13/61/853971361.db2.gz FHZQBPVKACPQSJ-UHFFFAOYSA-N 1 0 419.319 4.010 20 30 HIEDRO COc1ccc(C[NH2+]Cc2ccc(C#N)cc2F)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237220173 853985548 /nfs/dbraw/zinc/98/55/48/853985548.db2.gz LSPUWVYDEKLZGD-UHFFFAOYSA-N 1 0 421.428 4.483 20 30 HIEDRO COc1ccc(N2CCC([NH2+]Cc3ccc(OC)c(OCCCC#N)c3)CC2)cc1 ZINC000237261910 853992977 /nfs/dbraw/zinc/99/29/77/853992977.db2.gz KBRVRIJOPXLSHL-UHFFFAOYSA-N 1 0 409.530 4.145 20 30 HIEDRO COc1cc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cc(OC)c1OC ZINC000237284435 853997568 /nfs/dbraw/zinc/99/75/68/853997568.db2.gz RSFWIKSROGFUSX-UHFFFAOYSA-N 1 0 418.493 4.453 20 30 HIEDRO C=CCOc1ccc(C[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1OC ZINC000237361629 854013802 /nfs/dbraw/zinc/01/38/02/854013802.db2.gz RXAALBQMMXEZLX-UHFFFAOYSA-N 1 0 421.463 4.432 20 30 HIEDRO C=CCN1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000237401659 854023569 /nfs/dbraw/zinc/02/35/69/854023569.db2.gz ZILYZNWGLNIDQI-UHFFFAOYSA-N 1 0 402.542 4.288 20 30 HIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000237591478 854059639 /nfs/dbraw/zinc/05/96/39/854059639.db2.gz LQAYDFDEYBODJO-OAHLLOKOSA-N 1 0 404.436 4.150 20 30 HIEDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000237642425 854067018 /nfs/dbraw/zinc/06/70/18/854067018.db2.gz PYOWIHCKDHTVJX-JOCHJYFZSA-N 1 0 417.532 4.318 20 30 HIEDRO C#CCCOc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000237828977 854104472 /nfs/dbraw/zinc/10/44/72/854104472.db2.gz JOVPKQSCTOPVKP-UHFFFAOYSA-N 1 0 418.459 4.234 20 30 HIEDRO N#Cc1ccc2ncc(C[NH2+]C[C@H](c3ccccc3)N3CCc4sccc4C3)n2c1 ZINC000237856826 854109706 /nfs/dbraw/zinc/10/97/06/854109706.db2.gz LBNKTEXXVIEUPN-JOCHJYFZSA-N 1 0 413.550 4.157 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCNc2ncc(Cl)cc2Cl)c(-c2ccccc2)n1 ZINC000237899655 854116795 /nfs/dbraw/zinc/11/67/95/854116795.db2.gz AMQNTHORXHKMJR-UHFFFAOYSA-N 1 0 415.328 4.367 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)c1 ZINC000237970876 854127156 /nfs/dbraw/zinc/12/71/56/854127156.db2.gz ZPGUESIKUVQUDC-UHFFFAOYSA-N 1 0 400.482 4.306 20 30 HIEDRO C=C(C)C[NH+]1CCC(Nc2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)CC1 ZINC000301187898 854324253 /nfs/dbraw/zinc/32/42/53/854324253.db2.gz UAZCTIYVCYPNIR-UHFFFAOYSA-N 1 0 420.586 4.480 20 30 HIEDRO COc1cccc([C@H]2[C@H](Nc3nc(C(F)(F)F)ccc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000302050688 854522588 /nfs/dbraw/zinc/52/25/88/854522588.db2.gz ORCLPGZQDRXADM-MJGOQNOKSA-N 1 0 402.420 4.371 20 30 HIEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccc(OC)cc1 ZINC000302851903 854656739 /nfs/dbraw/zinc/65/67/39/854656739.db2.gz BCMZESISHANSNY-QFIPXVFZSA-N 1 0 420.513 4.306 20 30 HIEDRO CCOC(=O)c1c(NC(=O)c2cc(C#N)cs2)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000437324411 862592082 /nfs/dbraw/zinc/59/20/82/862592082.db2.gz OVTBQBTXRUCMST-UHFFFAOYSA-N 1 0 417.556 4.270 20 30 HIEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(COc4ccccc4C#N)o3)C2)CC1 ZINC000303006902 854719924 /nfs/dbraw/zinc/71/99/24/854719924.db2.gz IOXBGLHNMWUKCK-HXUWFJFHSA-N 1 0 421.541 4.314 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)cc1OC ZINC000303208375 854817088 /nfs/dbraw/zinc/81/70/88/854817088.db2.gz QKEZFPVRHMGCEN-SFHVURJKSA-N 1 0 417.347 4.391 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(OC)c(OCc3ccccc3)c(OC)c2)CC1 ZINC000303243264 854832772 /nfs/dbraw/zinc/83/27/72/854832772.db2.gz CSCPPBRRTFZKRW-UHFFFAOYSA-N 1 0 424.541 4.053 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Cc2csc(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000303278785 854848474 /nfs/dbraw/zinc/84/84/74/854848474.db2.gz LQDUGPZEXMJVGZ-UHFFFAOYSA-N 1 0 410.370 4.426 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cc3c(C)nn(-c4cccc(Cl)c4)c3s2)CC1 ZINC000303308267 854864151 /nfs/dbraw/zinc/86/41/51/854864151.db2.gz RIWFHZAYSKWFPJ-UHFFFAOYSA-N 1 0 414.962 4.429 20 30 HIEDRO CCCN(C(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303441272 854940166 /nfs/dbraw/zinc/94/01/66/854940166.db2.gz HULNOFPTBRESOC-HSZRJFAPSA-N 1 0 405.542 4.035 20 30 HIEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000303571150 855047156 /nfs/dbraw/zinc/04/71/56/855047156.db2.gz MVCJEWLHTCZGNQ-UHFFFAOYSA-N 1 0 403.526 4.085 20 30 HIEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)c2)c1 ZINC000303598489 855069319 /nfs/dbraw/zinc/06/93/19/855069319.db2.gz JNJVOIATPZEZDA-QHCPKHFHSA-N 1 0 403.526 4.228 20 30 HIEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000303757564 855177321 /nfs/dbraw/zinc/17/73/21/855177321.db2.gz DIBBITXQIZQRAC-IBGZPJMESA-N 1 0 422.447 4.312 20 30 HIEDRO COc1ccc(OC)c(NC(=[NH2+])NCCc2ccc(OCc3ccccc3)cc2)c1 ZINC000303867179 855260545 /nfs/dbraw/zinc/26/05/45/855260545.db2.gz CTFAXSFDXMJQFK-UHFFFAOYSA-N 1 0 405.498 4.252 20 30 HIEDRO COc1cc(CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)ccc1OCC(F)(F)F ZINC000303876976 855265424 /nfs/dbraw/zinc/26/54/24/855265424.db2.gz FEIRPUHNMSUPLO-UHFFFAOYSA-N 1 0 411.424 4.350 20 30 HIEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000303878071 855265567 /nfs/dbraw/zinc/26/55/67/855265567.db2.gz IYTQFOOAFSTFQA-INIZCTEOSA-N 1 0 401.352 4.319 20 30 HIEDRO COc1ccc(OC)c(NC(=[NH2+])NCC(C)(C)c2ccc(Br)cc2)c1 ZINC000303904141 855279658 /nfs/dbraw/zinc/27/96/58/855279658.db2.gz YRNSOLMPGFAECP-UHFFFAOYSA-N 1 0 406.324 4.171 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000303936956 855304270 /nfs/dbraw/zinc/30/42/70/855304270.db2.gz YADVBQFGZZOQDE-PMACEKPBSA-N 1 0 422.598 4.083 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCc2ccc(-c3nc(CC)no3)cc2)c1 ZINC000303973778 855331604 /nfs/dbraw/zinc/33/16/04/855331604.db2.gz HFTPASRABSVAQZ-UHFFFAOYSA-N 1 0 423.517 4.066 20 30 HIEDRO CCc1cccc(NC(=[NH2+])NCC2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000303977163 855332729 /nfs/dbraw/zinc/33/27/29/855332729.db2.gz LBZYCPKUDLWWSW-UHFFFAOYSA-N 1 0 416.363 4.487 20 30 HIEDRO [NH2+]=C(NCc1cc(Br)cs1)NCc1ccc(OC(F)(F)F)cc1 ZINC000304492405 855356089 /nfs/dbraw/zinc/35/60/89/855356089.db2.gz MEYCTHBPCTWQAF-UHFFFAOYSA-N 1 0 408.243 4.014 20 30 HIEDRO COc1ccc(-c2nnc(CNC(=[NH2+])Nc3cccc(Oc4ccccc4)c3)[nH]2)cc1 ZINC000304506252 855356228 /nfs/dbraw/zinc/35/62/28/855356228.db2.gz RAZWDGBPDXTQBL-UHFFFAOYSA-N 1 0 414.469 4.199 20 30 HIEDRO CCOc1cc(CCCNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)ccc1OC ZINC000304749315 855357231 /nfs/dbraw/zinc/35/72/31/855357231.db2.gz HQNGTUIMSMISLG-UHFFFAOYSA-N 1 0 411.424 4.352 20 30 HIEDRO [NH2+]=C(NCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc(OC(F)(F)F)cc1 ZINC000304744372 855357911 /nfs/dbraw/zinc/35/79/11/855357911.db2.gz DRMAPSQOFPRODM-UHFFFAOYSA-N 1 0 411.771 4.215 20 30 HIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1 ZINC000304994783 855358705 /nfs/dbraw/zinc/35/87/05/855358705.db2.gz FIVMBKOFQMFPFS-ROUUACIJSA-N 1 0 410.562 4.470 20 30 HIEDRO COC(=O)c1ccc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)nc1C1CC1 ZINC000305886435 855361972 /nfs/dbraw/zinc/36/19/72/855361972.db2.gz YHOJVYXQMINLGI-LLVKDONJSA-N 1 0 421.328 4.218 20 30 HIEDRO C=CCC[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1OCC ZINC000320270649 855388711 /nfs/dbraw/zinc/38/87/11/855388711.db2.gz LUPPWZHFHRMUSZ-ZDUSSCGKSA-N 1 0 407.146 4.027 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000409498950 855510472 /nfs/dbraw/zinc/51/04/72/855510472.db2.gz GAISRLUVNHDFMK-HNNXBMFYSA-N 1 0 412.347 4.018 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000409498953 855510565 /nfs/dbraw/zinc/51/05/65/855510565.db2.gz GAISRLUVNHDFMK-OAHLLOKOSA-N 1 0 412.347 4.018 20 30 HIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000410310964 855920716 /nfs/dbraw/zinc/92/07/16/855920716.db2.gz PXOTWJAVBKSDPY-UHFFFAOYSA-N 1 0 404.558 4.187 20 30 HIEDRO C[C@H]1C[NH+](CCC2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)C[C@H](C)O1 ZINC000426394648 856273476 /nfs/dbraw/zinc/27/34/76/856273476.db2.gz KAQAMASZPDYPGF-HOTGVXAUSA-N 1 0 414.500 4.100 20 30 HIEDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000426432264 856288167 /nfs/dbraw/zinc/28/81/67/856288167.db2.gz GPAOMUIQRBVHMX-MRXNPFEDSA-N 1 0 420.397 4.180 20 30 HIEDRO C=C[C@H]1CCCC[N@H+]1Cc1ccc(OCCn2c(C)ncc2[N+](=O)[O-])c(OCC)c1 ZINC000426577919 856357855 /nfs/dbraw/zinc/35/78/55/856357855.db2.gz FOAVZOHROYVWKL-IBGZPJMESA-N 1 0 414.506 4.118 20 30 HIEDRO Cc1sc(NC(=O)CN(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C#N)c1C ZINC000426994930 856585487 /nfs/dbraw/zinc/58/54/87/856585487.db2.gz LBRZNSQCTYYGJB-JXFKEZNVSA-N 1 0 410.587 4.160 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1cc(C)c(F)cc1F ZINC000427121579 856652182 /nfs/dbraw/zinc/65/21/82/856652182.db2.gz ZITMZHCCPVDUNL-UHFFFAOYSA-N 1 0 420.529 4.054 20 30 HIEDRO C=CCC[C@@H](C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000427173275 856690408 /nfs/dbraw/zinc/69/04/08/856690408.db2.gz XKDVENKPTPPSPY-RUZDIDTESA-N 1 0 411.634 4.391 20 30 HIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)cc1Cl ZINC000428544609 857255868 /nfs/dbraw/zinc/25/58/68/857255868.db2.gz HSCRLKYLPXXDBQ-UHFFFAOYSA-N 1 0 400.327 4.252 20 30 HIEDRO CN(C(=O)C[N@H+](Cc1cccc(-c2cccnc2)c1)C1CC1)C1(C#N)CCCCC1 ZINC000428648117 857289114 /nfs/dbraw/zinc/28/91/14/857289114.db2.gz IYKOZFWCYBQKOT-UHFFFAOYSA-N 1 0 402.542 4.398 20 30 HIEDRO CCn1c2ccc(C#N)cc2nc1NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000428793809 857343834 /nfs/dbraw/zinc/34/38/34/857343834.db2.gz LQJNHYBQRQIBQD-UHFFFAOYSA-N 1 0 401.514 4.169 20 30 HIEDRO COc1cc(C[N@@H+]2CCOC[C@H](C3CCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000429004140 857452820 /nfs/dbraw/zinc/45/28/20/857452820.db2.gz IVYAQLJJOZUKLS-HSZRJFAPSA-N 1 0 406.526 4.394 20 30 HIEDRO COc1ccc(C[NH+]2CCC(CNC(=O)N[C@H](CCC#N)c3ccccc3)CC2)cc1 ZINC000429066448 857490008 /nfs/dbraw/zinc/49/00/08/857490008.db2.gz UDUYJJJWIRXUFG-XMMPIXPASA-N 1 0 420.557 4.251 20 30 HIEDRO CC(C)OCC[NH+]1CCC(Nc2c(Br)cc(Cl)cc2C#N)CC1 ZINC000429199247 857549741 /nfs/dbraw/zinc/54/97/41/857549741.db2.gz ABQGMQMKVPJNDT-UHFFFAOYSA-N 1 0 400.748 4.275 20 30 HIEDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)[C@H](C)[C@H]1OC ZINC000429285659 857590318 /nfs/dbraw/zinc/59/03/18/857590318.db2.gz OTPIXLQETLGHRK-VAKZPMALSA-N 1 0 403.592 4.306 20 30 HIEDRO N#CCSc1cccc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)c1 ZINC000429802807 857890676 /nfs/dbraw/zinc/89/06/76/857890676.db2.gz ZWWLJZYKOZFCIE-UHFFFAOYSA-N 1 0 422.554 4.369 20 30 HIEDRO C[C@H]1C[C@H](N(C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000430826150 858319057 /nfs/dbraw/zinc/31/90/57/858319057.db2.gz GAGAMBYIDHBOMZ-PGRDOPGGSA-N 1 0 401.514 4.093 20 30 HIEDRO C=CCN1C(=O)N([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431419100 858605524 /nfs/dbraw/zinc/60/55/24/858605524.db2.gz CRTXLQUOTMAPGB-ZTCOLXNVSA-N 1 0 417.553 4.101 20 30 HIEDRO N#CCCC[C@@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000431901798 858862729 /nfs/dbraw/zinc/86/27/29/858862729.db2.gz YHCVPIMGJQONIS-BJKOFHAPSA-N 1 0 420.557 4.012 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000432029610 858938514 /nfs/dbraw/zinc/93/85/14/858938514.db2.gz AFFPZGUPPBGRNM-UHFFFAOYSA-N 1 0 420.513 4.498 20 30 HIEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)C2)C1 ZINC000432855006 859390112 /nfs/dbraw/zinc/39/01/12/859390112.db2.gz UDBKUVSDOIPFDQ-QHCPKHFHSA-N 1 0 424.932 4.350 20 30 HIEDRO Cc1cc(NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000433014611 859478620 /nfs/dbraw/zinc/47/86/20/859478620.db2.gz FQMQRCJUTCVMRU-NRFANRHFSA-N 1 0 405.477 4.283 20 30 HIEDRO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000433016869 859479534 /nfs/dbraw/zinc/47/95/34/859479534.db2.gz VHCJOUWHJJBYQM-DHIUTWEWSA-N 1 0 421.541 4.392 20 30 HIEDRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433015602 859479673 /nfs/dbraw/zinc/47/96/73/859479673.db2.gz KYPNYJCAJKPKHD-FQEVSTJZSA-N 1 0 414.347 4.432 20 30 HIEDRO COc1ccccc1-c1noc(C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)n1 ZINC000433165719 859549201 /nfs/dbraw/zinc/54/92/01/859549201.db2.gz VRHZDJBRIAVMGE-UHFFFAOYSA-N 1 0 418.497 4.265 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCc2ccc(Cl)cc2Cl)c(-c2ccncc2)n1 ZINC000433300783 859624910 /nfs/dbraw/zinc/62/49/10/859624910.db2.gz FEQPOCGHQXXBRD-UHFFFAOYSA-N 1 0 400.313 4.498 20 30 HIEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433306094 859629486 /nfs/dbraw/zinc/62/94/86/859629486.db2.gz ROZIEWZSKJHNMQ-NVXWUHKLSA-N 1 0 412.331 4.212 20 30 HIEDRO C[C@H](c1ccccc1)N1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CC1 ZINC000433337454 859652104 /nfs/dbraw/zinc/65/21/04/859652104.db2.gz ZACMTZKXLYUWKM-HXUWFJFHSA-N 1 0 414.557 4.174 20 30 HIEDRO N#CCCn1cc(C[NH2+]CC2(c3ccc(F)cc3Cl)CC2)c(-c2ccncc2)n1 ZINC000433342881 859655025 /nfs/dbraw/zinc/65/50/25/859655025.db2.gz MOQJRRDYCZEMCV-UHFFFAOYSA-N 1 0 409.896 4.473 20 30 HIEDRO N#CCCn1cc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c(-c2ccncc2)n1 ZINC000433343245 859655547 /nfs/dbraw/zinc/65/55/47/859655547.db2.gz NPQZPJYFDQHNRD-UHFFFAOYSA-N 1 0 409.415 4.019 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467703903 881499457 /nfs/dbraw/zinc/49/94/57/881499457.db2.gz FZSTWYSYRLTDAP-SFHVURJKSA-N 1 0 416.591 4.047 20 30 HIEDRO COc1cc(C[NH+]2CCC(n3ccc(C)n3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000434492125 860371921 /nfs/dbraw/zinc/37/19/21/860371921.db2.gz FUFLDXUEAJYVDU-UHFFFAOYSA-N 1 0 416.525 4.488 20 30 HIEDRO COC(=O)[C@H](NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000434865671 860527992 /nfs/dbraw/zinc/52/79/92/860527992.db2.gz SEXRNDYAMRZQSR-KHCICDEESA-N 1 0 405.542 4.040 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000434868048 860529159 /nfs/dbraw/zinc/52/91/59/860529159.db2.gz KBRJTZGEUHBOMU-MLGOLLRUSA-N 1 0 409.433 4.017 20 30 HIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434980323 860584195 /nfs/dbraw/zinc/58/41/95/860584195.db2.gz CVWCIVDDCSTFTA-OPAMFIHVSA-N 1 0 409.921 4.378 20 30 HIEDRO N#Cc1cccc(C2(C(=O)N[C@H]3CCCN(Cc4ccc(F)cc4Cl)C3)CC2)c1 ZINC000434998227 860590777 /nfs/dbraw/zinc/59/07/77/860590777.db2.gz CJOLVPOMVOANAA-FQEVSTJZSA-N 1 0 411.908 4.163 20 30 HIEDRO N#Cc1cccc(C2(C(=O)Nc3ccc(NC(=O)C[NH+]4CCCCCC4)cc3)CC2)c1 ZINC000435060544 860621981 /nfs/dbraw/zinc/62/19/81/860621981.db2.gz TZXSKKDMRRFNKI-UHFFFAOYSA-N 1 0 416.525 4.043 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)c(-c2ccncc2)n1 ZINC000435126240 860652807 /nfs/dbraw/zinc/65/28/07/860652807.db2.gz KRJKJXZZNCTNKC-OAQYLSRUSA-N 1 0 407.905 4.165 20 30 HIEDRO N#CCCn1cc(C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c(-c2ccncc2)n1 ZINC000435136101 860658395 /nfs/dbraw/zinc/65/83/95/860658395.db2.gz YKMYMKIQERCDIM-HXUWFJFHSA-N 1 0 407.543 4.101 20 30 HIEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1N1CCCC1 ZINC000435137422 860659237 /nfs/dbraw/zinc/65/92/37/860659237.db2.gz LJLATXXNGOZDOD-UHFFFAOYSA-N 1 0 400.530 4.091 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CC1 ZINC000435180471 860682022 /nfs/dbraw/zinc/68/20/22/860682022.db2.gz GSJOHNBYWLBIOV-CQSZACIVSA-N 1 0 416.513 4.091 20 30 HIEDRO N#CCCCn1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000435614333 860916520 /nfs/dbraw/zinc/91/65/20/860916520.db2.gz FHHWMGPHZRPXGV-OAQYLSRUSA-N 1 0 400.526 4.339 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1)C(C)C ZINC000438597950 864025271 /nfs/dbraw/zinc/02/52/71/864025271.db2.gz OONIRGDXOCWPGR-UHFFFAOYSA-N 1 0 420.557 4.304 20 30 HIEDRO N#Cc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1C(F)(F)F ZINC000438643905 864081036 /nfs/dbraw/zinc/08/10/36/864081036.db2.gz VUYFMYIBZLGPOY-UHFFFAOYSA-N 1 0 402.420 4.495 20 30 HIEDRO COC1CC[NH+](C2(CNC(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CCCC2)CC1 ZINC000438648453 864088842 /nfs/dbraw/zinc/08/88/42/864088842.db2.gz KXHKSJHJVJDGRM-UHFFFAOYSA-N 1 0 424.467 4.122 20 30 HIEDRO C=CCN(CC1CCCCC1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000438668194 864123981 /nfs/dbraw/zinc/12/39/81/864123981.db2.gz FFNYFSFYWSOWMJ-UHFFFAOYSA-N 1 0 414.594 4.437 20 30 HIEDRO COc1ccc([C@@H](CNC(=O)N[C@H](CCC#N)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000438850246 864345525 /nfs/dbraw/zinc/34/55/25/864345525.db2.gz USTHHLQQCAAKGJ-DHIUTWEWSA-N 1 0 406.530 4.176 20 30 HIEDRO Cc1cc(C#N)ccc1C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000438927155 864406437 /nfs/dbraw/zinc/40/64/37/864406437.db2.gz PPDKHRNBMFKDEB-FQEVSTJZSA-N 1 0 415.459 4.393 20 30 HIEDRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](CCC#N)c3ccccc3)c(C)c2)CC1 ZINC000439127639 864562888 /nfs/dbraw/zinc/56/28/88/864562888.db2.gz BXDRZCVBYJJICY-HSZRJFAPSA-N 1 0 405.546 4.304 20 30 HIEDRO CC[C@@](C)(O)C[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccccc1 ZINC000439277078 864695849 /nfs/dbraw/zinc/69/58/49/864695849.db2.gz RQBOFKXNEZSGLY-RUZDIDTESA-N 1 0 407.558 4.213 20 30 HIEDRO C[C@H](Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000439570386 864892545 /nfs/dbraw/zinc/89/25/45/864892545.db2.gz JMXDSBHWVUIIKW-FQEVSTJZSA-N 1 0 422.598 4.025 20 30 HIEDRO COc1ccc(C)cc1NC(=O)[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccccc1 ZINC000439624888 864949093 /nfs/dbraw/zinc/94/90/93/864949093.db2.gz OUDKAPJRDJUMCJ-XMMPIXPASA-N 1 0 415.493 4.224 20 30 HIEDRO CCCc1c(NC(=O)N(C)C2CC[NH+](CCC)CC2)cnn1-c1cccc(C#N)c1 ZINC000439661979 864990084 /nfs/dbraw/zinc/99/00/84/864990084.db2.gz BXYNYKOEYTVTEP-UHFFFAOYSA-N 1 0 408.550 4.035 20 30 HIEDRO CCCc1c(NC(=O)Nc2ccccc2CC[NH+](C)C)cnn1-c1cccc(C#N)c1 ZINC000439669392 865001256 /nfs/dbraw/zinc/00/12/56/865001256.db2.gz FEPRSJXEQBPDCO-UHFFFAOYSA-N 1 0 416.529 4.445 20 30 HIEDRO CCCc1c(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439684166 865019697 /nfs/dbraw/zinc/01/96/97/865019697.db2.gz KNWACPDMCUNJKO-IEBWSBKVSA-N 1 0 408.550 4.033 20 30 HIEDRO CCCc1c(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cnn1-c1cccc(C#N)c1 ZINC000439693456 865029451 /nfs/dbraw/zinc/02/94/51/865029451.db2.gz SMWCGARKDOIGLM-IBGZPJMESA-N 1 0 408.550 4.035 20 30 HIEDRO C[N@H+](Cc1ccccc1NS(=O)(=O)Cc1ccc(C#N)cc1F)C1CCCCC1 ZINC000440052886 865329343 /nfs/dbraw/zinc/32/93/43/865329343.db2.gz PSQBNCQQVZBSAI-UHFFFAOYSA-N 1 0 415.534 4.404 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2nc3c(s2)C[C@H](c2ccccc2)CC3)CC1 ZINC000468064605 881883188 /nfs/dbraw/zinc/88/31/88/881883188.db2.gz KQWQLWIGIQYDLW-LJQANCHMSA-N 1 0 424.614 4.255 20 30 HIEDRO N#Cc1ccsc1C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000440426445 865726404 /nfs/dbraw/zinc/72/64/04/865726404.db2.gz BTJVPPOVJJWQRJ-MRXNPFEDSA-N 1 0 407.461 4.146 20 30 HIEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000440543405 865812336 /nfs/dbraw/zinc/81/23/36/865812336.db2.gz MOFPXBWXVZDWFX-RCZVLFRGSA-N 1 0 419.569 4.332 20 30 HIEDRO C[NH+](C)CCCC1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440648813 865856301 /nfs/dbraw/zinc/85/63/01/865856301.db2.gz XXYLXXVPUJPMRJ-UHFFFAOYSA-N 1 0 401.352 4.427 20 30 HIEDRO C=CCOc1ccccc1CN(C(=O)C[N@@H+](C)C1CCC1)c1ccc2c(c1)OCCO2 ZINC000441339780 866411389 /nfs/dbraw/zinc/41/13/89/866411389.db2.gz IHCILZRFGCJECO-UHFFFAOYSA-N 1 0 422.525 4.040 20 30 HIEDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000441380709 866452197 /nfs/dbraw/zinc/45/21/97/866452197.db2.gz RBZUDVNGLGOORX-VGSWGCGISA-N 1 0 421.932 4.383 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)cc1 ZINC000441469197 866546551 /nfs/dbraw/zinc/54/65/51/866546551.db2.gz DGCKLWXFLNVCIN-DEOSSOPVSA-N 1 0 420.557 4.235 20 30 HIEDRO N#Cc1cc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)ccc1OC(F)(F)F ZINC000441567563 866647871 /nfs/dbraw/zinc/64/78/71/866647871.db2.gz PGKRRZFBLXYDEV-UHFFFAOYSA-N 1 0 403.404 4.308 20 30 HIEDRO CC1CC[NH+](CCc2cccc(NC(=O)C(=O)Nc3ccc(Cl)c(C#N)c3)c2)CC1 ZINC000442183538 867206940 /nfs/dbraw/zinc/20/69/40/867206940.db2.gz MJPKOJRXYLDEDU-UHFFFAOYSA-N 1 0 424.932 4.063 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(SC3CCCCC3)cc2C)CC1 ZINC000442304346 867315388 /nfs/dbraw/zinc/31/53/88/867315388.db2.gz MOGCIOMHHRPWLZ-UHFFFAOYSA-N 1 0 415.603 4.125 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443609484 868174884 /nfs/dbraw/zinc/17/48/84/868174884.db2.gz ZOTQNNVYIIGCNT-QGZVFWFLSA-N 1 0 414.619 4.023 20 30 HIEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443657408 868260785 /nfs/dbraw/zinc/26/07/85/868260785.db2.gz NQINFUWKKOPGFM-ROUUACIJSA-N 1 0 420.488 4.482 20 30 HIEDRO C[C@@H]1C[NH+](CCCCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@@H](C)O1 ZINC000443672754 868278140 /nfs/dbraw/zinc/27/81/40/868278140.db2.gz HGXYOBKJURUNMX-RTBURBONSA-N 1 0 423.582 4.329 20 30 HIEDRO Cc1ccc(-c2nnc([C@@H](C)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)o2)cc1C ZINC000468275963 882197384 /nfs/dbraw/zinc/19/73/84/882197384.db2.gz GIEKFBMAUMHTET-HXUWFJFHSA-N 1 0 415.541 4.494 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](COCc3ccccc3)C2)sc2c1CCCC2 ZINC000444172852 868648577 /nfs/dbraw/zinc/64/85/77/868648577.db2.gz SGQOMTCHHNJHHP-IBGZPJMESA-N 1 0 423.582 4.366 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000444204408 868664839 /nfs/dbraw/zinc/66/48/39/868664839.db2.gz IGHBZLJKJLWLCN-PKOBYXMFSA-N 1 0 401.576 4.443 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000444215021 868669770 /nfs/dbraw/zinc/66/97/70/868669770.db2.gz SAWDIDAYPCAGEE-IEBWSBKVSA-N 1 0 401.576 4.300 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 ZINC000444394622 868807359 /nfs/dbraw/zinc/80/73/59/868807359.db2.gz FDTMOAUAUYOUIR-UHFFFAOYSA-N 1 0 401.898 4.227 20 30 HIEDRO N#CC(CC[NH+]1CCN(c2ccc(F)cn2)CC1)(c1ccccc1)c1ccccc1 ZINC000444673087 868949719 /nfs/dbraw/zinc/94/97/19/868949719.db2.gz MMTTYJDRVDQCQB-UHFFFAOYSA-N 1 0 400.501 4.243 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1C#N ZINC000444697792 868962618 /nfs/dbraw/zinc/96/26/18/868962618.db2.gz YYERWIUXBRYDFW-INIZCTEOSA-N 1 0 422.451 4.221 20 30 HIEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1cccc(OCc2ccccc2)c1 ZINC000444735945 868982920 /nfs/dbraw/zinc/98/29/20/868982920.db2.gz PQNJSGGBQGJRDP-AUSIDOKSSA-N 1 0 402.494 4.228 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)N3CCC([NH+]4CC=CC4)CC3)c2)cc1 ZINC000446228791 870167062 /nfs/dbraw/zinc/16/70/62/870167062.db2.gz UAZXJGUQXRNQCA-UHFFFAOYSA-N 1 0 416.525 4.200 20 30 HIEDRO CC[C@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000447531260 871394805 /nfs/dbraw/zinc/39/48/05/871394805.db2.gz QMXKPFNEFFNNQB-IBGZPJMESA-N 1 0 400.320 4.182 20 30 HIEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2)c1 ZINC000448195514 872079198 /nfs/dbraw/zinc/07/91/98/872079198.db2.gz CWFJRTNWZPDVFR-RCZVLFRGSA-N 1 0 415.537 4.226 20 30 HIEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 ZINC000448226880 872140945 /nfs/dbraw/zinc/14/09/45/872140945.db2.gz WJDBXTTWZGTBPY-IBGZPJMESA-N 1 0 411.575 4.095 20 30 HIEDRO N#Cc1ccc2ncc(C[N@H+]3CCC[C@@H](Nc4cccc(Br)c4)C3)n2c1 ZINC000448359946 872308288 /nfs/dbraw/zinc/30/82/88/872308288.db2.gz QGLJRJWLTLORDK-GOSISDBHSA-N 1 0 410.319 4.045 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1)C(C)C ZINC000460130364 872612077 /nfs/dbraw/zinc/61/20/77/872612077.db2.gz XSWPLCZRBXWNAC-WOJBJXKFSA-N 1 0 415.582 4.272 20 30 HIEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460195408 872768793 /nfs/dbraw/zinc/76/87/93/872768793.db2.gz IAQHLOJZOFFXJO-AUSIDOKSSA-N 1 0 414.557 4.326 20 30 HIEDRO CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460283807 872872265 /nfs/dbraw/zinc/87/22/65/872872265.db2.gz OJSALGRXNBKIAK-XXBNENTESA-N 1 0 414.557 4.326 20 30 HIEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000460381043 873021672 /nfs/dbraw/zinc/02/16/72/873021672.db2.gz PULOMIGGYPVSIV-UHFFFAOYSA-N 1 0 410.953 4.215 20 30 HIEDRO C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460381703 873023285 /nfs/dbraw/zinc/02/32/85/873023285.db2.gz ABYGUDFTPBKEMX-SZPZYZBQSA-N 1 0 417.557 4.299 20 30 HIEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000460564142 873293029 /nfs/dbraw/zinc/29/30/29/873293029.db2.gz FDKDICZZYYMTPS-FQEVSTJZSA-N 1 0 415.969 4.071 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460786521 873644997 /nfs/dbraw/zinc/64/49/97/873644997.db2.gz KCXITTYUFGLQNS-WMZOPIPTSA-N 1 0 417.985 4.492 20 30 HIEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460810554 873688570 /nfs/dbraw/zinc/68/85/70/873688570.db2.gz DADCBDPTWXBGIP-TZIWHRDSSA-N 1 0 406.578 4.024 20 30 HIEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000460927075 873832108 /nfs/dbraw/zinc/83/21/08/873832108.db2.gz MQQWSLYADKJHHO-RUZDIDTESA-N 1 0 416.573 4.342 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460947157 873845728 /nfs/dbraw/zinc/84/57/28/873845728.db2.gz FDSRLSIBTSABBN-QGZVFWFLSA-N 1 0 403.958 4.180 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000460953195 873850458 /nfs/dbraw/zinc/85/04/58/873850458.db2.gz SAMKCGHHRNPWGM-JAXLGGSGSA-N 1 0 409.578 4.053 20 30 HIEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460961246 873857437 /nfs/dbraw/zinc/85/74/37/873857437.db2.gz SUDNNBWRCLMXSV-GHTZIAJQSA-N 1 0 404.562 4.236 20 30 HIEDRO COc1ccc(C[N@@H+]2CCCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)cc1 ZINC000461460932 874520997 /nfs/dbraw/zinc/52/09/97/874520997.db2.gz QINVPVBDXIOTIC-UHFFFAOYSA-N 1 0 406.917 4.481 20 30 HIEDRO N#C[C@@H]1CCC[C@H]1NC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000461952175 875082710 /nfs/dbraw/zinc/08/27/10/875082710.db2.gz ZVHISGRDXNKOQQ-QFBILLFUSA-N 1 0 409.361 4.293 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000462788369 875841482 /nfs/dbraw/zinc/84/14/82/875841482.db2.gz GUVWTOFJPCEDKO-KRWDZBQOSA-N 1 0 415.497 5.001 20 30 HIEDRO COc1cccc([C@H](C)[NH+]2CCN(c3c(C#N)cnc4c(C)cc(F)cc43)CC2)c1 ZINC000462815689 875857543 /nfs/dbraw/zinc/85/75/43/875857543.db2.gz JECLXZYYNRPMLQ-KRWDZBQOSA-N 1 0 404.489 4.446 20 30 HIEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCN(c3ccccc3F)C2)c(-c2ccccc2)n1 ZINC000462914735 875941748 /nfs/dbraw/zinc/94/17/48/875941748.db2.gz YXLVMHQWZSQDLP-IBGZPJMESA-N 1 0 403.505 4.219 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)CC2)cc1 ZINC000463235112 876289273 /nfs/dbraw/zinc/28/92/73/876289273.db2.gz GGFXUSYDTOWHBK-UIOOFZCWSA-N 1 0 421.560 4.025 20 30 HIEDRO CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000463278014 876333913 /nfs/dbraw/zinc/33/39/13/876333913.db2.gz UPOOKUXDTVOQJE-AREMUKBSSA-N 1 0 404.602 4.269 20 30 HIEDRO C[C@H]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CCN1Cc1ccccc1 ZINC000463283741 876341387 /nfs/dbraw/zinc/34/13/87/876341387.db2.gz POOZJOCUKOTPRI-DAZPURJESA-N 1 0 404.558 4.286 20 30 HIEDRO C[C@H]([NH2+]CC#Cc1ccc(F)cc1)c1ccc(Br)cc1OCCCO ZINC000463376464 876431536 /nfs/dbraw/zinc/43/15/36/876431536.db2.gz KRVAAMYEOJGHKO-HNNXBMFYSA-N 1 0 406.295 4.052 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000468996658 883062515 /nfs/dbraw/zinc/06/25/15/883062515.db2.gz PCCOJIWLPJMLHY-UHFFFAOYSA-N 1 0 406.505 4.288 20 30 HIEDRO N#CC1CCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000469010751 883077827 /nfs/dbraw/zinc/07/78/27/883077827.db2.gz OEAASHSWOHQQDV-XZOQPEGZSA-N 1 0 407.945 4.318 20 30 HIEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000469013545 883080614 /nfs/dbraw/zinc/08/06/14/883080614.db2.gz MJQBJRSGNPJYEV-UHFFFAOYSA-N 1 0 414.509 4.197 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000464777542 878020484 /nfs/dbraw/zinc/02/04/84/878020484.db2.gz VGBASQBTMXKPNS-HXUWFJFHSA-N 1 0 423.582 4.446 20 30 HIEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464850899 878127414 /nfs/dbraw/zinc/12/74/14/878127414.db2.gz PIMCZKHIYVSDGC-SFTDATJTSA-N 1 0 422.548 4.057 20 30 HIEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCCCOc1cccc(C#N)c1 ZINC000464982438 878329693 /nfs/dbraw/zinc/32/96/93/878329693.db2.gz ZNNOQLWLSSTEOL-HSZRJFAPSA-N 1 0 405.542 4.088 20 30 HIEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000464996769 878351233 /nfs/dbraw/zinc/35/12/33/878351233.db2.gz RSZKFDMQDHEFHY-UHFFFAOYSA-N 1 0 419.525 4.034 20 30 HIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000465720876 879296470 /nfs/dbraw/zinc/29/64/70/879296470.db2.gz OSAOILDHPXPCTG-LOSJGSFVSA-N 1 0 416.569 4.380 20 30 HIEDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503438207 912449573 /nfs/dbraw/zinc/44/95/73/912449573.db2.gz SUUBWXFICIIYEW-LPHOPBHVSA-N 1 0 417.962 4.058 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000465801750 879412819 /nfs/dbraw/zinc/41/28/19/879412819.db2.gz AETCJLKJFFEGIL-PKTZIBPZSA-N 1 0 422.598 4.441 20 30 HIEDRO CCC[NH+]1CCC(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000466096642 879815383 /nfs/dbraw/zinc/81/53/83/879815383.db2.gz RULXWAAHGKLFJY-UHFFFAOYSA-N 1 0 408.521 4.284 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000466106443 879822179 /nfs/dbraw/zinc/82/21/79/879822179.db2.gz RZTPAAINTRHKJP-UNMCSNQZSA-N 1 0 408.571 4.400 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000466278340 880017181 /nfs/dbraw/zinc/01/71/81/880017181.db2.gz CNNYMZHOZKEVRW-UHFFFAOYSA-N 1 0 418.928 4.478 20 30 HIEDRO Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CCc1cccc(C#N)c1 ZINC000466425324 880198625 /nfs/dbraw/zinc/19/86/25/880198625.db2.gz JPBWPPMNRGVKFG-UHFFFAOYSA-N 1 0 409.331 4.456 20 30 HIEDRO C[C@H]1C[C@H](CCNC(=O)Nc2ncccc2OCCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000466608344 880377205 /nfs/dbraw/zinc/37/72/05/880377205.db2.gz HOYAMALCMQKKGH-FPOVZHCZSA-N 1 0 421.545 4.186 20 30 HIEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1ncccc1OCCCC#N ZINC000466607290 880377462 /nfs/dbraw/zinc/37/74/62/880377462.db2.gz DMERHCCBOXNCBE-OAQYLSRUSA-N 1 0 421.545 4.140 20 30 HIEDRO COC(=O)c1ccc(C(C)C)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000466708530 880500573 /nfs/dbraw/zinc/50/05/73/880500573.db2.gz SASYHQWDCAZNEY-UHFFFAOYSA-N 1 0 422.529 4.064 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](CO)Cc2ccc(C)cc2)cc1OC ZINC000466918788 880687863 /nfs/dbraw/zinc/68/78/63/880687863.db2.gz SGERPYOBPYLKBI-SFHVURJKSA-N 1 0 420.347 4.024 20 30 HIEDRO COCc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 ZINC000467116672 880873425 /nfs/dbraw/zinc/87/34/25/880873425.db2.gz IVUHRLQNTRLODI-GOSISDBHSA-N 1 0 413.543 4.404 20 30 HIEDRO COCc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCCC3)o1 ZINC000467116673 880873884 /nfs/dbraw/zinc/87/38/84/880873884.db2.gz IVUHRLQNTRLODI-SFHVURJKSA-N 1 0 413.543 4.404 20 30 HIEDRO COCC[C@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000467263647 881001282 /nfs/dbraw/zinc/00/12/82/881001282.db2.gz BJZODNWHTDCMKV-LJQANCHMSA-N 1 0 400.567 4.169 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000467272187 881011961 /nfs/dbraw/zinc/01/19/61/881011961.db2.gz YZODBSYOCGFCFG-INIZCTEOSA-N 1 0 408.502 4.049 20 30 HIEDRO N#Cc1ccc(OCC[N@@H+](Cc2cccc(Br)c2)C2CCOCC2)cc1 ZINC000467293293 881039267 /nfs/dbraw/zinc/03/92/67/881039267.db2.gz YWDIGKMLUDXZGU-UHFFFAOYSA-N 1 0 415.331 4.381 20 30 HIEDRO C=CCN1CC[C@@H](N(C)Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000467510910 881326102 /nfs/dbraw/zinc/32/61/02/881326102.db2.gz ARQNCVSHECCHKQ-HXUWFJFHSA-N 1 0 414.933 4.146 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@H]1c1cccs1 ZINC000469209014 883309149 /nfs/dbraw/zinc/30/91/49/883309149.db2.gz CODWLMLHSVDLJH-UWJYYQICSA-N 1 0 406.511 4.088 20 30 HIEDRO CC[N@H+](CCC1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1)CC(C)C ZINC000469235394 883335385 /nfs/dbraw/zinc/33/53/85/883335385.db2.gz WQSLJWMMZYKEHL-UHFFFAOYSA-N 1 0 408.546 4.433 20 30 HIEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000469281105 883379360 /nfs/dbraw/zinc/37/93/60/883379360.db2.gz NPAKUQNMYUKWJR-NRFANRHFSA-N 1 0 414.509 4.197 20 30 HIEDRO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3S[C@H](C)CC#N)cc2)CC1 ZINC000469283563 883380853 /nfs/dbraw/zinc/38/08/53/883380853.db2.gz SYCXOUXJRYBZRH-GOSISDBHSA-N 1 0 408.571 4.475 20 30 HIEDRO C[C@@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C(C)(C)C[NH+](C)C ZINC000469509498 883763719 /nfs/dbraw/zinc/76/37/19/883763719.db2.gz ZCEIOPPHVAZEHC-GOSISDBHSA-N 1 0 408.546 4.429 20 30 HIEDRO C[C@H]1C[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C[N@@H+]1Cc1ccccc1 ZINC000469586831 883825381 /nfs/dbraw/zinc/82/53/81/883825381.db2.gz KVVBERZLQWJCAN-PZJWPPBQSA-N 1 0 400.526 4.338 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000469750214 883908731 /nfs/dbraw/zinc/90/87/31/883908731.db2.gz DDROIYKVLUGMGI-LJQANCHMSA-N 1 0 419.447 4.154 20 30 HIEDRO N#Cc1ccccc1Oc1ccc(NC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1F ZINC000470521058 884911779 /nfs/dbraw/zinc/91/17/79/884911779.db2.gz CEFSSSAMXJMVEC-UHFFFAOYSA-N 1 0 423.488 4.463 20 30 HIEDRO CC(C)(C)C1CCC(C#N)(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CC1 ZINC000470590745 885008543 /nfs/dbraw/zinc/00/85/43/885008543.db2.gz LHNRBTBTPQBJGY-UHFFFAOYSA-N 1 0 411.590 4.119 20 30 HIEDRO C=C(C)[C@@H](NC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1)c1ccc(F)c(F)c1 ZINC000471039624 885549311 /nfs/dbraw/zinc/54/93/11/885549311.db2.gz WLWUSIPWCXSIKA-OAQYLSRUSA-N 1 0 415.484 4.179 20 30 HIEDRO C[N@@H+]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C2(CCCCC2)C1 ZINC000471040914 885551407 /nfs/dbraw/zinc/55/14/07/885551407.db2.gz XJLVBAVTJHHKTG-UHFFFAOYSA-N 1 0 414.619 4.168 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)cc1Br ZINC000471302446 885891552 /nfs/dbraw/zinc/89/15/52/885891552.db2.gz YXDCISIUVPQAKO-UHFFFAOYSA-N 1 0 420.738 4.178 20 30 HIEDRO C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471578164 886290154 /nfs/dbraw/zinc/29/01/54/886290154.db2.gz OHMALFSLIASSNW-HXOBKFHXSA-N 1 0 403.482 4.151 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](CO)c2ccsc2)cc1OCC ZINC000472038913 886857881 /nfs/dbraw/zinc/85/78/81/886857881.db2.gz SSCXFDPTRUPKSQ-MRXNPFEDSA-N 1 0 412.349 4.297 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](CCC#N)CC(C)(C)C)c1C#N ZINC000472259846 887072425 /nfs/dbraw/zinc/07/24/25/887072425.db2.gz PLDCPEHGXDJYEJ-UHFFFAOYSA-N 1 0 409.534 4.208 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](Cc2ccco2)C(C)C)c1C#N ZINC000472443027 887293254 /nfs/dbraw/zinc/29/32/54/887293254.db2.gz QLYHJBBINZRQHQ-UHFFFAOYSA-N 1 0 408.502 4.450 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000472455380 887309421 /nfs/dbraw/zinc/30/94/21/887309421.db2.gz QBVDKRQIDNMLQD-LJQANCHMSA-N 1 0 422.598 4.033 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@@H](c3cccs3)n3cccc3)CC2)cc1 ZINC000473357896 888080950 /nfs/dbraw/zinc/08/09/50/888080950.db2.gz PPBUKDXFPLSGLE-QFIPXVFZSA-N 1 0 418.566 4.135 20 30 HIEDRO N#Cc1ccc(OCc2ccc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)o2)cc1 ZINC000473551665 888290415 /nfs/dbraw/zinc/29/04/15/888290415.db2.gz KYORDCIWJINAGM-UHFFFAOYSA-N 1 0 407.514 4.257 20 30 HIEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3CCCN(c4ccc(Cl)cc4Cl)C3)n2c1 ZINC000474006953 888865005 /nfs/dbraw/zinc/86/50/05/888865005.db2.gz HRUVNEUXXXPESM-INIZCTEOSA-N 1 0 400.313 4.271 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(n2c(C)nc3ccccc32)CC1)C(C)C ZINC000474062065 888895173 /nfs/dbraw/zinc/89/51/73/888895173.db2.gz UZDMZORUDZHPKX-XMMPIXPASA-N 1 0 423.605 4.390 20 30 HIEDRO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000474183023 889022271 /nfs/dbraw/zinc/02/22/71/889022271.db2.gz GHZISCCKNDINLZ-NRFANRHFSA-N 1 0 400.448 4.465 20 30 HIEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1O2 ZINC000474787526 889645609 /nfs/dbraw/zinc/64/56/09/889645609.db2.gz KTKGRFHTJRWWBC-IRLDBZIGSA-N 1 0 403.526 4.178 20 30 HIEDRO COc1ccccc1[C@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)[NH+]1CCCCC1 ZINC000475025926 889878567 /nfs/dbraw/zinc/87/85/67/889878567.db2.gz ZIQVXKXTECMOPX-GGAORHGYSA-N 1 0 405.542 4.426 20 30 HIEDRO C=CCOc1ccc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)cc1Cl ZINC000475091618 889939286 /nfs/dbraw/zinc/93/92/86/889939286.db2.gz JUUUDKCLNVAISC-IRXDYDNUSA-N 1 0 409.958 4.406 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2c(F)cccc2Br)CC1 ZINC000475100443 889947484 /nfs/dbraw/zinc/94/74/84/889947484.db2.gz QJAXDDKYZTXCAG-UHFFFAOYSA-N 1 0 404.283 4.335 20 30 HIEDRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccnc(C#N)c1)[NH+](C)C ZINC000475369781 890299035 /nfs/dbraw/zinc/29/90/35/890299035.db2.gz NIJBQRAALVUKOS-HXUWFJFHSA-N 1 0 419.356 4.489 20 30 HIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(Br)cn2)cc1OCCCC#N ZINC000475505435 890419055 /nfs/dbraw/zinc/41/90/55/890419055.db2.gz BVVPTZLSUOFDMN-AWEZNQCLSA-N 1 0 404.308 4.386 20 30 HIEDRO COC[C@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000475742755 890686244 /nfs/dbraw/zinc/68/62/44/890686244.db2.gz SRTSZZOKNYIWDL-SFHVURJKSA-N 1 0 411.571 4.017 20 30 HIEDRO C[C@H]([NH2+]C1(CNC(=O)C[C@@H](CC#N)c2ccccc2)CCOCC1)c1ccccc1 ZINC000476054916 890985063 /nfs/dbraw/zinc/98/50/63/890985063.db2.gz YKERGJOOPAXSOP-NZQKXSOJSA-N 1 0 405.542 4.090 20 30 HIEDRO N#CC[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000476065211 890995328 /nfs/dbraw/zinc/99/53/28/890995328.db2.gz VQMQDNNPEYMEEL-CTNGQTDRSA-N 1 0 415.459 4.483 20 30 HIEDRO COc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000476230697 891154348 /nfs/dbraw/zinc/15/43/48/891154348.db2.gz KBYOJSROPNBOPG-JOCHJYFZSA-N 1 0 405.542 4.266 20 30 HIEDRO N#Cc1ccccc1Sc1ccccc1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000476443441 891356245 /nfs/dbraw/zinc/35/62/45/891356245.db2.gz OZLFODKGHNZLSA-FQEVSTJZSA-N 1 0 421.566 4.036 20 30 HIEDRO Cc1oc(NC(=O)[C@@H](C)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(C#N)c1C ZINC000477044644 891970110 /nfs/dbraw/zinc/97/01/10/891970110.db2.gz CNOYZTRHBKLOPN-CLOONOSVSA-N 1 0 420.557 4.083 20 30 HIEDRO C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000477595124 892671282 /nfs/dbraw/zinc/67/12/82/892671282.db2.gz CYOQCHMILIRRKA-UHFFFAOYSA-N 1 0 411.521 4.198 20 30 HIEDRO CS(=O)(=O)c1cccc([C@H]([NH2+]CCCOc2cccc(C#N)c2)c2ccccc2)c1 ZINC000477623011 892729268 /nfs/dbraw/zinc/72/92/68/892729268.db2.gz ANNKNHVKRFADEI-XMMPIXPASA-N 1 0 420.534 4.110 20 30 HIEDRO C[C@H]1C[NH+](Cc2cccc(NCc3cn(C)nc3-c3ccc(C#N)cc3)c2)C[C@H](C)O1 ZINC000478236678 893398327 /nfs/dbraw/zinc/39/83/27/893398327.db2.gz UOCZUCZABWRFMO-OALUTQOASA-N 1 0 415.541 4.180 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@](C)(c2ccc(Br)cc2)C(C)C)CC1 ZINC000478614783 893876453 /nfs/dbraw/zinc/87/64/53/893876453.db2.gz JKZIHHFBHBQMMW-FQEVSTJZSA-N 1 0 408.384 4.270 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2c[nH]c3cc(Cl)cc(Cl)c23)CC1 ZINC000478620084 893879586 /nfs/dbraw/zinc/87/95/86/893879586.db2.gz ICEVWFWTUBGAJD-UHFFFAOYSA-N 1 0 409.361 4.357 20 30 HIEDRO COc1ccccc1NC(=O)C1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000478967204 894245565 /nfs/dbraw/zinc/24/55/65/894245565.db2.gz URPFGELDRKOHIY-UHFFFAOYSA-N 1 0 416.443 4.416 20 30 HIEDRO COc1cc(Cl)c(Cl)cc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479225684 894486325 /nfs/dbraw/zinc/48/63/25/894486325.db2.gz ZVZYUKWLYUXSOQ-UHFFFAOYSA-N 1 0 418.324 4.290 20 30 HIEDRO Cc1nc(-c2cccs2)ccc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479270658 894545096 /nfs/dbraw/zinc/54/50/96/894545096.db2.gz FBKKRYJXOKGGKZ-UHFFFAOYSA-N 1 0 416.550 4.407 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1 ZINC000479382486 894682719 /nfs/dbraw/zinc/68/27/19/894682719.db2.gz BGHXCBVRVURBDJ-LJQANCHMSA-N 1 0 417.431 4.283 20 30 HIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCCc4cc(Br)ccc43)C2=O)cc1 ZINC000479458922 894779808 /nfs/dbraw/zinc/77/98/08/894779808.db2.gz UYJGEZRYHXBQAJ-NHCUHLMSSA-N 1 0 424.342 4.089 20 30 HIEDRO N#Cc1cccc(OCc2ccoc2C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000505262176 913918786 /nfs/dbraw/zinc/91/87/86/913918786.db2.gz QKJUVQIGXSDYSG-UHFFFAOYSA-N 1 0 421.541 4.458 20 30 HIEDRO C=C(C)[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1)c1ccc(F)c(F)c1 ZINC000479766503 895068844 /nfs/dbraw/zinc/06/88/44/895068844.db2.gz GMKWOMWVFDBVTM-QFIPXVFZSA-N 1 0 417.500 4.364 20 30 HIEDRO CCOc1c(Cl)cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC000480016012 895366158 /nfs/dbraw/zinc/36/61/58/895366158.db2.gz IUDWBKBXOPGQGY-UHFFFAOYSA-N 1 0 410.905 4.309 20 30 HIEDRO COc1ccc(C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cc1OCCCC#N ZINC000480046480 895394899 /nfs/dbraw/zinc/39/48/99/895394899.db2.gz SVLWZHGFVLYNRR-REWPJTCUSA-N 1 0 415.484 4.191 20 30 HIEDRO Cn1cc(C[NH2+]CCOc2c(Cl)cc(Br)cc2Cl)cc1C#N ZINC000480304014 895708564 /nfs/dbraw/zinc/70/85/64/895708564.db2.gz GWMNDHVHJVFFMV-UHFFFAOYSA-N 1 0 403.107 4.135 20 30 HIEDRO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000480316372 895720207 /nfs/dbraw/zinc/72/02/07/895720207.db2.gz FJARLANZYJTDJH-UHFFFAOYSA-N 1 0 414.941 4.127 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1 ZINC000480596997 895959359 /nfs/dbraw/zinc/95/93/59/895959359.db2.gz UCDLIPSAWJLOMC-UHFFFAOYSA-N 1 0 424.385 4.260 20 30 HIEDRO C[NH+](C)CCOc1cccc(CNC(=O)c2ccccc2Oc2ccccc2C#N)c1 ZINC000480598681 895960871 /nfs/dbraw/zinc/96/08/71/895960871.db2.gz VMKQCIFJWUPNPL-UHFFFAOYSA-N 1 0 415.493 4.221 20 30 HIEDRO N#Cc1cccc(C[NH2+][C@H]2CCCOc3ccc(I)cc32)c1 ZINC000480811422 896180637 /nfs/dbraw/zinc/18/06/37/896180637.db2.gz ICYFMRRSHNYDTB-KRWDZBQOSA-N 1 0 404.251 4.166 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481169829 896505527 /nfs/dbraw/zinc/50/55/27/896505527.db2.gz GHUMOXXCFPELLU-RCZVLFRGSA-N 1 0 418.585 4.050 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000481183392 896527513 /nfs/dbraw/zinc/52/75/13/896527513.db2.gz RUFXQZWZXVREOV-JTAQYXEDSA-N 1 0 411.615 4.151 20 30 HIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)Nc1ccccc1SCC#N ZINC000481462424 896855656 /nfs/dbraw/zinc/85/56/56/896855656.db2.gz XGUKLOSMQVNOFR-VLIAUNLRSA-N 1 0 403.935 4.260 20 30 HIEDRO N#Cc1ccc(CSCC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000481904083 897284108 /nfs/dbraw/zinc/28/41/08/897284108.db2.gz KAZYVFNFZQFPAZ-DNQXCXABSA-N 1 0 419.594 4.305 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000481990802 897386073 /nfs/dbraw/zinc/38/60/73/897386073.db2.gz MXLGIOFDJBBDKT-IFMALSPDSA-N 1 0 401.489 4.328 20 30 HIEDRO C[NH+](C)CCCOC1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000482013892 897414987 /nfs/dbraw/zinc/41/49/87/897414987.db2.gz YXFGVHPEQOCBHV-UHFFFAOYSA-N 1 0 421.541 4.118 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H](C3CCCCC3)C(F)(F)F)CC2)cc1 ZINC000482282668 897776740 /nfs/dbraw/zinc/77/67/40/897776740.db2.gz NHFDSMQHQZLEGP-HXUWFJFHSA-N 1 0 422.495 4.287 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2ccccc2C(F)(F)F)C(F)(F)F)CC1 ZINC000482430561 897988008 /nfs/dbraw/zinc/98/80/08/897988008.db2.gz BGUXJVXQMSKATE-OAHLLOKOSA-N 1 0 409.374 4.258 20 30 HIEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CCN[C@H](c3cccc(F)c3)C2)c1 ZINC000505550232 914252413 /nfs/dbraw/zinc/25/24/13/914252413.db2.gz MTCBCCSKFAPSGU-QHCPKHFHSA-N 1 0 415.468 4.063 20 30 HIEDRO N#CCc1ccc(C[NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1 ZINC000483235364 898879853 /nfs/dbraw/zinc/87/98/53/898879853.db2.gz LHHUPHPAERLYOF-KRWDZBQOSA-N 1 0 413.237 4.357 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2Br)CC1 ZINC000483313698 898942544 /nfs/dbraw/zinc/94/25/44/898942544.db2.gz UNRXILFLRKEDDB-UHFFFAOYSA-N 1 0 406.246 4.240 20 30 HIEDRO CC[N@H+](CC(=O)NCc1cccc(C#N)c1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000483399446 899031948 /nfs/dbraw/zinc/03/19/48/899031948.db2.gz CCBYXYQEYNJEEA-INIZCTEOSA-N 1 0 403.448 4.146 20 30 HIEDRO N#Cc1ccc(SCC(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1 ZINC000483556387 899214614 /nfs/dbraw/zinc/21/46/14/899214614.db2.gz XAHMIQUTSCSVJC-UHFFFAOYSA-N 1 0 422.554 4.104 20 30 HIEDRO C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H](c1ccccc1)[NH+](C)C ZINC000505634075 914333651 /nfs/dbraw/zinc/33/36/51/914333651.db2.gz QQGTZPMHCHDMLA-GAJHUEQPSA-N 1 0 403.482 4.151 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000484049774 899681935 /nfs/dbraw/zinc/68/19/35/899681935.db2.gz SXMQXEWOIWILMF-RTBURBONSA-N 1 0 410.484 4.000 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1F ZINC000484090661 899721690 /nfs/dbraw/zinc/72/16/90/899721690.db2.gz DUHSMRREPGJRGT-UHFFFAOYSA-N 1 0 408.395 4.166 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H]2CCCc3c(O)cccc32)c1C#N ZINC000484324059 899879528 /nfs/dbraw/zinc/87/95/28/899879528.db2.gz INFBAKQTHOQRNB-OAQYLSRUSA-N 1 0 406.530 4.403 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c1C#N ZINC000484645974 900091623 /nfs/dbraw/zinc/09/16/23/900091623.db2.gz WUNPSPUXPDGOHB-YADHBBJMSA-N 1 0 422.577 4.390 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)[C@@H](C)Cc2ccc(O)cc2)c1C#N ZINC000485210372 900499562 /nfs/dbraw/zinc/49/95/62/900499562.db2.gz QZPMIJCSHXTFMB-INIZCTEOSA-N 1 0 408.546 4.299 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(F)(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000485334601 900620650 /nfs/dbraw/zinc/62/06/50/900620650.db2.gz XPUODOQGDNHKME-KRWDZBQOSA-N 1 0 414.447 4.126 20 30 HIEDRO C=CCSc1ccccc1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000485459749 900754136 /nfs/dbraw/zinc/75/41/36/900754136.db2.gz BCPHCMKIPBAQIK-UHFFFAOYSA-N 1 0 409.599 4.297 20 30 HIEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000485504139 900792467 /nfs/dbraw/zinc/79/24/67/900792467.db2.gz LOMMSRWQOHFHDM-PXNSSMCTSA-N 1 0 420.561 4.132 20 30 HIEDRO Cc1csc(Nc2ccc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc2)n1 ZINC000485792859 901045731 /nfs/dbraw/zinc/04/57/31/901045731.db2.gz URYJTQJZBGVMMT-UHFFFAOYSA-N 1 0 419.554 4.271 20 30 HIEDRO C[C@@H](c1ccc(N2CCCS2(=O)=O)cc1)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000485825680 901073065 /nfs/dbraw/zinc/07/30/65/901073065.db2.gz VEXMWLNQEYFWPC-SFHVURJKSA-N 1 0 411.571 4.221 20 30 HIEDRO Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2nc3c(cc2C#N)CCCC3(C)C)C1 ZINC000486032184 901235914 /nfs/dbraw/zinc/23/59/14/901235914.db2.gz XDDRMOCYXAEUFF-KRWDZBQOSA-N 1 0 409.603 4.290 20 30 HIEDRO C=CCSc1ccccc1C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000486243449 901425184 /nfs/dbraw/zinc/42/51/84/901425184.db2.gz QQBDVDPQDDLXAG-KRWDZBQOSA-N 1 0 413.562 4.347 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000486469362 901629123 /nfs/dbraw/zinc/62/91/23/901629123.db2.gz OEAVEAVFWAVWRE-OAQYLSRUSA-N 1 0 424.520 4.073 20 30 HIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(-c4cccc(F)c4)s3)C2=O)cc1 ZINC000486900245 901944408 /nfs/dbraw/zinc/94/44/08/901944408.db2.gz JBIHNBHPLNXECC-NRFANRHFSA-N 1 0 405.498 4.317 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000486966065 901992138 /nfs/dbraw/zinc/99/21/38/901992138.db2.gz JQXAJGCCGLOEKO-HRAATJIYSA-N 1 0 401.470 4.337 20 30 HIEDRO COc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)cc1 ZINC000487396439 902181027 /nfs/dbraw/zinc/18/10/27/902181027.db2.gz GFANFJJFDFGCSU-UHFFFAOYSA-N 1 0 405.542 4.025 20 30 HIEDRO C[N@@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000487401080 902184594 /nfs/dbraw/zinc/18/45/94/902184594.db2.gz VEFKCKYAJQBZQL-GOSISDBHSA-N 1 0 406.448 4.378 20 30 HIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000487418334 902200453 /nfs/dbraw/zinc/20/04/53/902200453.db2.gz XNLOLWPHCQRGGN-QFIPXVFZSA-N 1 0 403.526 4.416 20 30 HIEDRO N#Cc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1Br ZINC000487992446 902514094 /nfs/dbraw/zinc/51/40/94/902514094.db2.gz LKMYEUVMYOBBDF-KRWDZBQOSA-N 1 0 417.307 4.262 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000488388504 902798380 /nfs/dbraw/zinc/79/83/80/902798380.db2.gz WKXHLDNZQWLQIF-OAQYLSRUSA-N 1 0 414.594 4.386 20 30 HIEDRO CC(C)CCOc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488457153 902833960 /nfs/dbraw/zinc/83/39/60/902833960.db2.gz AAQNJVQDUUITDL-CYFREDJKSA-N 1 0 405.542 4.435 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(SCC(F)F)cc1 ZINC000488466940 902839898 /nfs/dbraw/zinc/83/98/98/902839898.db2.gz MPAMDOHBTXCAMW-YWZLYKJASA-N 1 0 415.509 4.367 20 30 HIEDRO C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488506158 902860874 /nfs/dbraw/zinc/86/08/74/902860874.db2.gz YRJWPAUYWIGLLI-HRAATJIYSA-N 1 0 415.459 4.289 20 30 HIEDRO C=C[C@H]1CCCCN1C(=O)Nc1ccc(C(=O)NCCC[NH+](CC)CC)c(Cl)c1 ZINC000488929083 903081163 /nfs/dbraw/zinc/08/11/63/903081163.db2.gz HRGHBMLBRBVNOC-SFHVURJKSA-N 1 0 420.985 4.374 20 30 HIEDRO C=C[C@@H]1CCCC[N@H+]1CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000489408294 903371292 /nfs/dbraw/zinc/37/12/92/903371292.db2.gz VXBLVYVGCFPGNE-WMZHIEFXSA-N 1 0 405.542 4.499 20 30 HIEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000489740696 903569376 /nfs/dbraw/zinc/56/93/76/903569376.db2.gz LNOHZMBKNLBMDE-VWLOTQADSA-N 1 0 418.585 4.290 20 30 HIEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C[C@@H](C)C1 ZINC000489908270 903666804 /nfs/dbraw/zinc/66/68/04/903666804.db2.gz FLVNCAVNUOCBFF-XLNZFTOWSA-N 1 0 402.542 4.097 20 30 HIEDRO N#Cc1ccc(-c2nnc(C[N@@H+]3CCC[C@@H](c4nc5c(s4)CCCC5)C3)o2)cc1 ZINC000490018668 903726582 /nfs/dbraw/zinc/72/65/82/903726582.db2.gz GVVUCMZZIZAUSU-QGZVFWFLSA-N 1 0 405.527 4.323 20 30 HIEDRO Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000490088066 903765056 /nfs/dbraw/zinc/76/50/56/903765056.db2.gz KWTXWZZBRKMAGW-FQEVSTJZSA-N 1 0 407.905 4.264 20 30 HIEDRO Cn1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490354393 903947404 /nfs/dbraw/zinc/94/74/04/903947404.db2.gz LMXQBBWUCSZGIR-FQEVSTJZSA-N 1 0 402.473 4.193 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)sc2c1CCCC2 ZINC000490829559 904273921 /nfs/dbraw/zinc/27/39/21/904273921.db2.gz VASGKYXTSUDNNE-UHFFFAOYSA-N 1 0 424.526 4.400 20 30 HIEDRO Cn1cc(C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491205105 904480873 /nfs/dbraw/zinc/48/08/73/904480873.db2.gz IZZCORMAQIDUEX-UHFFFAOYSA-N 1 0 423.524 4.123 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3coc(-c4ccc(F)c(F)c4)n3)CC2)cc1 ZINC000492056787 904779496 /nfs/dbraw/zinc/77/94/96/904779496.db2.gz XWUUPADVKONGAB-UHFFFAOYSA-N 1 0 408.452 4.199 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)C2=O)cc1 ZINC000492731570 904896209 /nfs/dbraw/zinc/89/62/09/904896209.db2.gz WVENMIZLMDYGHE-UTKZUKDTSA-N 1 0 418.472 4.214 20 30 HIEDRO CC[N@@H+](Cc1cc(C#N)ccc1Br)CC1CCN(c2ccccn2)CC1 ZINC000492777708 904902294 /nfs/dbraw/zinc/90/22/94/904902294.db2.gz YWXWDQARVIQWSA-UHFFFAOYSA-N 1 0 413.363 4.454 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccccc3OCc3cccnc3)CC2)cc1 ZINC000506267352 914873135 /nfs/dbraw/zinc/87/31/35/914873135.db2.gz ILNRXLJJLRDCNH-UHFFFAOYSA-N 1 0 412.537 4.240 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000493923540 905275554 /nfs/dbraw/zinc/27/55/54/905275554.db2.gz CFDANEXQZPAUKT-GKCIPKSASA-N 1 0 406.498 4.049 20 30 HIEDRO Cc1sc(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(C#N)c1C ZINC000494466194 905748891 /nfs/dbraw/zinc/74/88/91/905748891.db2.gz OVXIBLGNTKUQBM-AEFFLSMTSA-N 1 0 407.898 4.087 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000494471118 905753073 /nfs/dbraw/zinc/75/30/73/905753073.db2.gz WLOKWHHVMKSPHH-OYYNGEPBSA-N 1 0 415.946 4.209 20 30 HIEDRO Cc1c2cc(Br)cc(C)c2oc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000495144115 906269814 /nfs/dbraw/zinc/26/98/14/906269814.db2.gz YYLYFHYSFIQRJZ-UHFFFAOYSA-N 1 0 406.324 4.120 20 30 HIEDRO C=CC1CCN(C(=O)Nc2ccc(C(=O)NCCC[NH+](CC)CC)c(Cl)c2)CC1 ZINC000495220555 906317274 /nfs/dbraw/zinc/31/72/74/906317274.db2.gz KCPFXSPVMNNVBZ-UHFFFAOYSA-N 1 0 420.985 4.232 20 30 HIEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000495247833 906336272 /nfs/dbraw/zinc/33/62/72/906336272.db2.gz CQSXONWCFYPEEE-SCLBCKFNSA-N 1 0 410.331 4.027 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)c1C#N ZINC000495405815 906431093 /nfs/dbraw/zinc/43/10/93/906431093.db2.gz BXHCSAMSFKLFLI-AEFFLSMTSA-N 1 0 404.514 4.338 20 30 HIEDRO C=CCOc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc3c(c2)OCCCO3)cc1 ZINC000512566685 921240906 /nfs/dbraw/zinc/24/09/06/921240906.db2.gz YTIDNKNTAQMMEK-UHFFFAOYSA-N 1 0 405.498 4.103 20 30 HIEDRO CS[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000495566863 906505678 /nfs/dbraw/zinc/50/56/78/906505678.db2.gz ZWKOUIVQDZMCFP-YLJYHZDGSA-N 1 0 415.946 4.122 20 30 HIEDRO CS[C@@H]1CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000495566860 906505987 /nfs/dbraw/zinc/50/59/87/906505987.db2.gz ZWKOUIVQDZMCFP-FXAWDEMLSA-N 1 0 415.946 4.122 20 30 HIEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000496625729 906723162 /nfs/dbraw/zinc/72/31/62/906723162.db2.gz AMOULNCTGKWBQU-FRIKZZABSA-N 1 0 423.557 4.055 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1C ZINC000497378933 906867413 /nfs/dbraw/zinc/86/74/13/906867413.db2.gz QYYNRUNUDVIQHN-HSZRJFAPSA-N 1 0 415.541 4.113 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000512769467 921304571 /nfs/dbraw/zinc/30/45/71/921304571.db2.gz VBFMCXBKUQKLMC-GOSISDBHSA-N 1 0 404.514 4.218 20 30 HIEDRO CCOC1CC2(C1)CC[N@H+](CCC(=O)Nc1sc3c(c1C#N)CCCCC3)C2 ZINC000512805572 921315195 /nfs/dbraw/zinc/31/51/95/921315195.db2.gz IVTOQDCYANLVTC-UHFFFAOYSA-N 1 0 401.576 4.108 20 30 HIEDRO CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512811426 921316867 /nfs/dbraw/zinc/31/68/67/921316867.db2.gz GEWUACGLSZJSKX-IBGZPJMESA-N 1 0 412.505 4.104 20 30 HIEDRO C=CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000498547712 908010083 /nfs/dbraw/zinc/01/00/83/908010083.db2.gz HLIFYTLNNFTERL-ZEQRLZLVSA-N 1 0 405.542 4.371 20 30 HIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498708459 908135060 /nfs/dbraw/zinc/13/50/60/908135060.db2.gz UYRFIUDNBMGVBE-GBXCKJPGSA-N 1 0 404.558 4.389 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498715745 908142161 /nfs/dbraw/zinc/14/21/61/908142161.db2.gz OJEUCRFJMQBDCS-UGKGYDQZSA-N 1 0 422.529 4.203 20 30 HIEDRO C[C@@](CO)([NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(Br)cc1 ZINC000512894304 921387816 /nfs/dbraw/zinc/38/78/16/921387816.db2.gz JBLIPJQVGUEFRE-FQEVSTJZSA-N 1 0 403.320 4.129 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cc1)C1CC1 ZINC000499409518 908774204 /nfs/dbraw/zinc/77/42/04/908774204.db2.gz VYJGHHJOZKHULN-FQEVSTJZSA-N 1 0 412.331 4.428 20 30 HIEDRO CCC[C@@H]1CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC[N@@H+]1CCOC ZINC000499895436 909018414 /nfs/dbraw/zinc/01/84/14/909018414.db2.gz OOSLURBPDGFRDI-QZTJIDSGSA-N 1 0 404.580 4.045 20 30 HIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)ccc1OC ZINC000513037615 921496452 /nfs/dbraw/zinc/49/64/52/921496452.db2.gz UIHWJGUCAQYNJZ-OAQYLSRUSA-N 1 0 408.542 4.292 20 30 HIEDRO COc1cccc(C2(F)CC[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)c1 ZINC000500151347 909627998 /nfs/dbraw/zinc/62/79/98/909627998.db2.gz FOMXDCACDYXMGS-QFIPXVFZSA-N 1 0 407.489 4.023 20 30 HIEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CCN1Cc1ccccc1 ZINC000513056417 921512438 /nfs/dbraw/zinc/51/24/38/921512438.db2.gz GSIIRHPEMHWECQ-UEVCKROQSA-N 1 0 406.549 4.309 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)[C@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)CC1 ZINC000500742107 910053273 /nfs/dbraw/zinc/05/32/73/910053273.db2.gz HIOXULPFRRDNIK-OAQYLSRUSA-N 1 0 402.897 4.366 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000501092948 910291750 /nfs/dbraw/zinc/29/17/50/910291750.db2.gz AHDQDSBOWVVFAN-QHCPKHFHSA-N 1 0 406.530 4.250 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1C)C(C)C ZINC000501169820 910338479 /nfs/dbraw/zinc/33/84/79/910338479.db2.gz UWQYOHMWSUANPL-QFIPXVFZSA-N 1 0 412.578 4.051 20 30 HIEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000513168132 921596643 /nfs/dbraw/zinc/59/66/43/921596643.db2.gz RPLBMBWMUWETFH-MRXNPFEDSA-N 1 0 411.373 4.220 20 30 HIEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000513165042 921595278 /nfs/dbraw/zinc/59/52/78/921595278.db2.gz HDMVZLYCTGLEQB-INIZCTEOSA-N 1 0 413.389 4.444 20 30 HIEDRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1 ZINC000502306768 911269963 /nfs/dbraw/zinc/26/99/63/911269963.db2.gz XQIVMSCGGQCRHM-UHFFFAOYSA-N 1 0 402.542 4.399 20 30 HIEDRO CC[C@@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000502315470 911285610 /nfs/dbraw/zinc/28/56/10/911285610.db2.gz AFBAKVGDSWCRDO-QFIPXVFZSA-N 1 0 405.542 4.185 20 30 HIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000502318560 911291241 /nfs/dbraw/zinc/29/12/41/911291241.db2.gz DUGMRFZQYDCSBF-NTKDMRAZSA-N 1 0 400.526 4.192 20 30 HIEDRO CN(C(=O)Nc1cc(C#N)ccc1OC(F)F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502431271 911412398 /nfs/dbraw/zinc/41/23/98/911412398.db2.gz KZSAYAVHFAPUPZ-UHFFFAOYSA-N 1 0 414.456 4.288 20 30 HIEDRO N#Cc1ccccc1OCc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)o1 ZINC000513265724 921668093 /nfs/dbraw/zinc/66/80/93/921668093.db2.gz DYICYNNSNBINGE-OAQYLSRUSA-N 1 0 415.493 4.125 20 30 HIEDRO N#Cc1ccc(C2=CC[N@H+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)cc1 ZINC000502530424 911534810 /nfs/dbraw/zinc/53/48/10/911534810.db2.gz RMILGPKCBANTFW-UHFFFAOYSA-N 1 0 400.438 4.453 20 30 HIEDRO CCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502876701 911878543 /nfs/dbraw/zinc/87/85/43/911878543.db2.gz JHSVRLHTDUVQGX-HNNXBMFYSA-N 1 0 412.559 4.304 20 30 HIEDRO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502919665 911906041 /nfs/dbraw/zinc/90/60/41/911906041.db2.gz PFDZLYIPSQYJLT-INIZCTEOSA-N 1 0 412.921 4.279 20 30 HIEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000503067840 912033405 /nfs/dbraw/zinc/03/34/05/912033405.db2.gz HQFUNNLDAFPASY-UHFFFAOYSA-N 1 0 415.541 4.037 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(OCC4CC4)cc3)CC2)cc1 ZINC000503182502 912158235 /nfs/dbraw/zinc/15/82/35/912158235.db2.gz ICTDYLPYYOZHLI-UHFFFAOYSA-N 1 0 404.514 4.087 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)cc1 ZINC000506295204 914890791 /nfs/dbraw/zinc/89/07/91/914890791.db2.gz OQQKFCSYKYZSEW-UHFFFAOYSA-N 1 0 405.933 4.105 20 30 HIEDRO C[C@@H]([NH2+]C1(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCCC1)c1ccccc1 ZINC000506332998 914945159 /nfs/dbraw/zinc/94/51/59/914945159.db2.gz QUZOMCFILBFRKK-WZONZLPQSA-N 1 0 413.562 4.028 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2csc(Br)c2)C2CC2)CC1 ZINC000506465196 915062171 /nfs/dbraw/zinc/06/21/71/915062171.db2.gz VGNFOQHWPSCKSS-UHFFFAOYSA-N 1 0 412.397 4.225 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CCC([NH+]3CCCC3)CC2)cc1OC ZINC000506476750 915077649 /nfs/dbraw/zinc/07/76/49/915077649.db2.gz JGSUOLLGFLNHJF-UHFFFAOYSA-N 1 0 409.368 4.083 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487168 915093287 /nfs/dbraw/zinc/09/32/87/915093287.db2.gz NSPWCCLZYXOKBH-MSOLQXFVSA-N 1 0 414.619 4.023 20 30 HIEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(OC)c(OC)c1 ZINC000506670040 915344298 /nfs/dbraw/zinc/34/42/98/915344298.db2.gz SDMKGONUQRRVMG-OXJNMPFZSA-N 1 0 413.493 4.219 20 30 HIEDRO C=CCOc1c(Br)cc(CN(C)C2CC[NH+](CC)CC2)cc1OCC ZINC000506688158 915366957 /nfs/dbraw/zinc/36/69/57/915366957.db2.gz FOSICBGUSWNZHP-UHFFFAOYSA-N 1 0 411.384 4.329 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCSCc2ccccc2C#N)C1 ZINC000506939638 915743848 /nfs/dbraw/zinc/74/38/48/915743848.db2.gz JOAVPJCOBRTKDH-PMACEKPBSA-N 1 0 414.619 4.087 20 30 HIEDRO C[NH+]1CCC(C)(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000506950985 915755732 /nfs/dbraw/zinc/75/57/32/915755732.db2.gz MGNOBKPIUBPWIB-UHFFFAOYSA-N 1 0 406.530 4.185 20 30 HIEDRO C[C@H](CNc1c(C#N)cnc2ccc(OC(F)F)cc21)[N@@H+]1CCc2sccc2C1 ZINC000507096861 915867311 /nfs/dbraw/zinc/86/73/11/915867311.db2.gz BBIPSECWIWUTHB-CYBMUJFWSA-N 1 0 414.481 4.050 20 30 HIEDRO COc1ccc(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)cc1OCCCC#N ZINC000507158345 915897004 /nfs/dbraw/zinc/89/70/04/915897004.db2.gz CSXJGSBBEFOZHX-UHFFFAOYSA-N 1 0 421.541 4.081 20 30 HIEDRO COc1ccccc1C[C@@H](C)[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1 ZINC000507218740 915969312 /nfs/dbraw/zinc/96/93/12/915969312.db2.gz LXGAGQPJXDIPDR-NLFFAJNJSA-N 1 0 407.558 4.183 20 30 HIEDRO COc1ccccc1C[C@H](C)[N@H+](CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccccc1 ZINC000507218738 915970613 /nfs/dbraw/zinc/97/06/13/915970613.db2.gz LXGAGQPJXDIPDR-CPJSRVTESA-N 1 0 407.558 4.183 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)C[C@@H]1OCCc2ccccc21 ZINC000507234285 915992299 /nfs/dbraw/zinc/99/22/99/915992299.db2.gz PZSUPOMQVISSGW-KKSFZXQISA-N 1 0 423.582 4.461 20 30 HIEDRO C=C[C@@H](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000507241480 916002052 /nfs/dbraw/zinc/00/20/52/916002052.db2.gz YLQBFPPCFJFYQW-UKILVPOCSA-N 1 0 418.581 4.391 20 30 HIEDRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507439908 916208315 /nfs/dbraw/zinc/20/83/15/916208315.db2.gz HDHMGXPBZMZAMP-JPYJTQIMSA-N 1 0 418.541 4.184 20 30 HIEDRO Cc1c([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cnn1-c1ccc(F)cc1 ZINC000507472756 916242077 /nfs/dbraw/zinc/24/20/77/916242077.db2.gz FUHGACCFFHJLJN-HJPURHCSSA-N 1 0 417.488 4.038 20 30 HIEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000507584630 916338742 /nfs/dbraw/zinc/33/87/42/916338742.db2.gz PGRMOAZGEUERGO-UHFFFAOYSA-N 1 0 407.905 4.105 20 30 HIEDRO COc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1OCC(C)C ZINC000507731141 916526029 /nfs/dbraw/zinc/52/60/29/916526029.db2.gz HAMRWCWTLHSBIC-UHFFFAOYSA-N 1 0 409.530 4.476 20 30 HIEDRO CCOc1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc(Cl)c1OC ZINC000507769134 916556203 /nfs/dbraw/zinc/55/62/03/916556203.db2.gz IPWYXTVUMHBLAT-UHFFFAOYSA-N 1 0 415.921 4.494 20 30 HIEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Nc3cc(C#N)cn3C(C)(C)C)cc2)C[C@@H](C)O1 ZINC000508071612 916893448 /nfs/dbraw/zinc/89/34/48/916893448.db2.gz NQUALDPUIKISBV-QZTJIDSGSA-N 1 0 423.561 4.046 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000508252607 917072382 /nfs/dbraw/zinc/07/23/82/917072382.db2.gz QBFIFUHQXVVIFR-WOJBJXKFSA-N 1 0 406.486 4.107 20 30 HIEDRO C=CCOc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000508429445 917218016 /nfs/dbraw/zinc/21/80/16/917218016.db2.gz XNTJERALBBZMEF-NZQKXSOJSA-N 1 0 407.558 4.446 20 30 HIEDRO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508461209 917244752 /nfs/dbraw/zinc/24/47/52/917244752.db2.gz JVVAAXMPSWQLAL-MRXNPFEDSA-N 1 0 403.933 4.236 20 30 HIEDRO N#Cc1ccc(OC2CCC(NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)nc1 ZINC000508486448 917271089 /nfs/dbraw/zinc/27/10/89/917271089.db2.gz IEJMEDCDPBPAKM-UHFFFAOYSA-N 1 0 418.541 4.059 20 30 HIEDRO C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000508497101 917280921 /nfs/dbraw/zinc/28/09/21/917280921.db2.gz IZJZTODNBSTZTH-HSZRJFAPSA-N 1 0 423.605 4.273 20 30 HIEDRO C=CCOc1c(Br)cc(CN(C)C[C@@H]2CCC[N@H+](C)C2)cc1OCC ZINC000508571238 917345649 /nfs/dbraw/zinc/34/56/49/917345649.db2.gz UAFAIJQEBGOYRR-MRXNPFEDSA-N 1 0 411.384 4.186 20 30 HIEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@H]2CCCC[C@H]12 ZINC000508678622 917441736 /nfs/dbraw/zinc/44/17/36/917441736.db2.gz QDCKYGVGSAYAIX-YMTGICSTSA-N 1 0 424.589 4.071 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508793171 917549358 /nfs/dbraw/zinc/54/93/58/917549358.db2.gz HNMLZFDYIXBPJZ-MSOLQXFVSA-N 1 0 417.985 4.426 20 30 HIEDRO C=CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508798445 917554384 /nfs/dbraw/zinc/55/43/84/917554384.db2.gz SSAUFOFHWNEBOO-VQTJNVASSA-N 1 0 411.569 4.285 20 30 HIEDRO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508828481 917582165 /nfs/dbraw/zinc/58/21/65/917582165.db2.gz UYGQUOUBXYDLKN-JTAQYXEDSA-N 1 0 421.589 4.231 20 30 HIEDRO C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508835328 917587710 /nfs/dbraw/zinc/58/77/10/917587710.db2.gz YTVXEJNZILWCFA-UHFFFAOYSA-N 1 0 422.360 4.024 20 30 HIEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508844725 917595914 /nfs/dbraw/zinc/59/59/14/917595914.db2.gz KPYDQNDPBBYQGW-AVRDEDQJSA-N 1 0 416.573 4.076 20 30 HIEDRO C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[NH+](C(C)C)CC1 ZINC000508866377 917619889 /nfs/dbraw/zinc/61/98/89/917619889.db2.gz ZRZJRSGVQSRZNW-UHFFFAOYSA-N 1 0 408.575 4.093 20 30 HIEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000508866978 917622026 /nfs/dbraw/zinc/62/20/26/917622026.db2.gz NNXUXPLBAQNQED-HXUWFJFHSA-N 1 0 418.589 4.484 20 30 HIEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508883774 917638309 /nfs/dbraw/zinc/63/83/09/917638309.db2.gz CPIMUUHQEVPNSV-FCHUYYIVSA-N 1 0 423.605 4.176 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000508950230 917706791 /nfs/dbraw/zinc/70/67/91/917706791.db2.gz MWYHYUMINOQMDG-UHFFFAOYSA-N 1 0 417.534 4.383 20 30 HIEDRO C=CCn1c(Cc2cccc3ccccc32)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508999352 917753105 /nfs/dbraw/zinc/75/31/05/917753105.db2.gz WCNBHOLMHXGVLY-HXUWFJFHSA-N 1 0 403.574 4.376 20 30 HIEDRO C=CCSCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000509181350 917892048 /nfs/dbraw/zinc/89/20/48/917892048.db2.gz VZNRUVUJJZGEHX-WMZOPIPTSA-N 1 0 415.525 4.307 20 30 HIEDRO CC(C)(C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)c1cc(F)cc(C#N)c1 ZINC000509186723 917894856 /nfs/dbraw/zinc/89/48/56/917894856.db2.gz SMZMVKSKXQZHHS-UHFFFAOYSA-N 1 0 407.533 4.142 20 30 HIEDRO C=CCOc1cccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c1 ZINC000509526235 918173536 /nfs/dbraw/zinc/17/35/36/918173536.db2.gz MORHNXLEERARNN-UHFFFAOYSA-N 1 0 400.906 4.461 20 30 HIEDRO C=C(C)COc1cc(C[NH+]2CCC(C(=O)N3CCC[C@H](C)C3)CC2)ccc1OC ZINC000509576569 918226543 /nfs/dbraw/zinc/22/65/43/918226543.db2.gz WQOLDKSZCFVWHL-IBGZPJMESA-N 1 0 400.563 4.121 20 30 HIEDRO COc1ccccc1NC(=O)C1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000509586930 918234843 /nfs/dbraw/zinc/23/48/43/918234843.db2.gz UPMXMIOGORGDFR-UHFFFAOYSA-N 1 0 407.514 4.228 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1)C1CC1 ZINC000509943162 918539448 /nfs/dbraw/zinc/53/94/48/918539448.db2.gz LHKCPKCACJLSHX-UHFFFAOYSA-N 1 0 418.541 4.058 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)CSc1nc(-c2ccccc2)ccc1C#N)c1ccccc1 ZINC000510200392 918751329 /nfs/dbraw/zinc/75/13/29/918751329.db2.gz SDDKYFNSTJFWKM-QFIPXVFZSA-N 1 0 416.550 4.131 20 30 HIEDRO C=CCSCC[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000510276811 918802577 /nfs/dbraw/zinc/80/25/77/918802577.db2.gz HCWMRAXGAOACGP-GOSISDBHSA-N 1 0 405.907 4.437 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000511025686 919599182 /nfs/dbraw/zinc/59/91/82/919599182.db2.gz FIAMKKDXUWHHDA-SXWKCWPCSA-N 1 0 414.594 4.120 20 30 HIEDRO C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511271843 919869669 /nfs/dbraw/zinc/86/96/69/919869669.db2.gz XGSPPENFJIBRJQ-GJZGRUSLSA-N 1 0 424.467 4.274 20 30 HIEDRO C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511282643 919877115 /nfs/dbraw/zinc/87/71/15/919877115.db2.gz AVHIYSHMFNEWSN-HKUYNNGSSA-N 1 0 407.514 4.113 20 30 HIEDRO C[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511423486 920038148 /nfs/dbraw/zinc/03/81/48/920038148.db2.gz NHNPLRSASPWGHV-BFHNTPHQSA-N 1 0 424.589 4.200 20 30 HIEDRO COc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc(OC)c1C(C)C ZINC000511485527 920094138 /nfs/dbraw/zinc/09/41/38/920094138.db2.gz ZBDWCQUCFZHROE-UHFFFAOYSA-N 1 0 421.541 4.115 20 30 HIEDRO N#CC(CC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CO)C1)(c1ccccc1)c1ccccc1 ZINC000511658314 920322879 /nfs/dbraw/zinc/32/28/79/920322879.db2.gz XGOSGHZXSTVFJS-RXVVDRJESA-N 1 0 402.460 4.379 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000511680679 920345065 /nfs/dbraw/zinc/34/50/65/920345065.db2.gz JIKQOBNZWRKUCA-KCZVDYSFSA-N 1 0 408.567 4.408 20 30 HIEDRO Cc1cc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)sc1Br ZINC000511760437 920443673 /nfs/dbraw/zinc/44/36/73/920443673.db2.gz XIEADOAEPUDXBC-BBRMVZONSA-N 1 0 418.360 4.142 20 30 HIEDRO N#CCCn1cc(C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c2ccccc21 ZINC000511782159 920473419 /nfs/dbraw/zinc/47/34/19/920473419.db2.gz XEWBHLKLDQMIJI-GZGNHOFSSA-N 1 0 413.521 4.242 20 30 HIEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000511873909 920604623 /nfs/dbraw/zinc/60/46/23/920604623.db2.gz CTXAOYADMPPUKT-WOJBJXKFSA-N 1 0 422.472 4.277 20 30 HIEDRO C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511931742 920680061 /nfs/dbraw/zinc/68/00/61/920680061.db2.gz KBYNBOHCLOXFBT-APWZRJJASA-N 1 0 423.586 4.380 20 30 HIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)c1 ZINC000512226831 920976566 /nfs/dbraw/zinc/97/65/66/920976566.db2.gz PMOLIFNVBHDZKD-LJQANCHMSA-N 1 0 406.404 4.045 20 30 HIEDRO COc1ccc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)cc1OCCCC#N ZINC000512347562 921093027 /nfs/dbraw/zinc/09/30/27/921093027.db2.gz UAGKPJSFEIUEGF-UHFFFAOYSA-N 1 0 413.562 4.039 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000512348744 921093524 /nfs/dbraw/zinc/09/35/24/921093524.db2.gz WWBXPMWFQUYXTQ-AVRDEDQJSA-N 1 0 423.582 4.391 20 30 HIEDRO N#Cc1ccccc1OCc1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000513450424 921816621 /nfs/dbraw/zinc/81/66/21/921816621.db2.gz AOAQBWVNGWVLJI-JOCHJYFZSA-N 1 0 415.493 4.297 20 30 HIEDRO C=CCOc1c(Br)cc(CN(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1OCC ZINC000513489747 921842407 /nfs/dbraw/zinc/84/24/07/921842407.db2.gz JSTYBCPNZIYBTJ-KRWDZBQOSA-N 1 0 409.368 4.081 20 30 HIEDRO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000513751142 922070527 /nfs/dbraw/zinc/07/05/27/922070527.db2.gz XRGIVKIXMUARIM-UHFFFAOYSA-N 1 0 415.541 4.188 20 30 HIEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000514831409 922818427 /nfs/dbraw/zinc/81/84/27/922818427.db2.gz NAFDWVYOAGALLL-XMSQKQJNSA-N 1 0 400.530 4.016 20 30 HIEDRO COc1cccc(C[N@H+](C)CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)c1 ZINC000514916301 922843787 /nfs/dbraw/zinc/84/37/87/922843787.db2.gz FJBWMCRKFFBPGP-UHFFFAOYSA-N 1 0 420.513 4.087 20 30 HIEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000515243716 923011371 /nfs/dbraw/zinc/01/13/71/923011371.db2.gz YJDQQISOERCKNP-UHFFFAOYSA-N 1 0 407.514 4.350 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000515502209 923137342 /nfs/dbraw/zinc/13/73/42/923137342.db2.gz YDGRKAGQIDCVEM-JOCHJYFZSA-N 1 0 422.573 4.049 20 30 HIEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NCc2ccc(C#N)cc2F)cc1Cl ZINC000516199180 923594535 /nfs/dbraw/zinc/59/45/35/923594535.db2.gz RJWJNXPOKZOEJG-UHFFFAOYSA-N 1 0 416.928 4.425 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000517591964 926702394 /nfs/dbraw/zinc/70/23/94/926702394.db2.gz OELHCYVQAKMIJR-BEFAXECRSA-N 1 0 404.495 4.241 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2c(C)nn(-c3ccc(C)c(Cl)c3)c2C)CC1 ZINC000517982679 926927822 /nfs/dbraw/zinc/92/78/22/926927822.db2.gz ZBFCRQLWVZHUMF-UHFFFAOYSA-N 1 0 414.981 4.150 20 30 HIEDRO N#Cc1cc(F)c(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)cc1Br ZINC000518004267 926944590 /nfs/dbraw/zinc/94/45/90/926944590.db2.gz QDGGEZLUFFSPCS-UHFFFAOYSA-N 1 0 418.310 4.029 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1C#N ZINC000518791692 927495626 /nfs/dbraw/zinc/49/56/26/927495626.db2.gz VCZDQXPYHKPADI-HOTGVXAUSA-N 1 0 400.592 4.040 20 30 HIEDRO N#Cc1ccccc1OC1CCC(NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000518957724 927657993 /nfs/dbraw/zinc/65/79/93/927657993.db2.gz UZMJMZLAMYYIET-UHFFFAOYSA-N 1 0 403.526 4.274 20 30 HIEDRO N#Cc1cccc(OC2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3Cl)CC2)c1 ZINC000519202405 927825524 /nfs/dbraw/zinc/82/55/24/927825524.db2.gz PLJSLMMDVKGEHE-QGZVFWFLSA-N 1 0 421.324 4.148 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000519879956 928114931 /nfs/dbraw/zinc/11/49/31/928114931.db2.gz UDYANPCEFUOLQR-DEOSSOPVSA-N 1 0 418.541 4.102 20 30 HIEDRO Cc1ccc([C@H](CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[NH+](C)C)cc1 ZINC000520055386 928281108 /nfs/dbraw/zinc/28/11/08/928281108.db2.gz NGWPQTMBRRVJEU-NRFANRHFSA-N 1 0 419.554 4.338 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccccc3OCc3ccncc3)C2)c(F)c1 ZINC000520247361 928415509 /nfs/dbraw/zinc/41/55/09/928415509.db2.gz FQLRLOGMKWXZBK-JOCHJYFZSA-N 1 0 416.500 4.430 20 30 HIEDRO CCC(CC)[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[NH+]1CCCC1 ZINC000520612983 928673438 /nfs/dbraw/zinc/67/34/38/928673438.db2.gz KXGZWJAGIVXEPG-QHCPKHFHSA-N 1 0 412.578 4.012 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)CC1 ZINC000520686895 928735947 /nfs/dbraw/zinc/73/59/47/928735947.db2.gz MGFHTTFULGWJQI-UHFFFAOYSA-N 1 0 418.463 4.149 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2C)CC1 ZINC000520697740 928745164 /nfs/dbraw/zinc/74/51/64/928745164.db2.gz PEIXOVXLAMUHRB-IBGZPJMESA-N 1 0 412.578 4.172 20 30 HIEDRO O=C(CCC[NH+]1CCN(c2ccccc2)CC1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000521072008 928973151 /nfs/dbraw/zinc/97/31/51/928973151.db2.gz IYSZODMVXKJIKN-UHFFFAOYSA-N 1 0 424.548 4.022 20 30 HIEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000521114112 929003484 /nfs/dbraw/zinc/00/34/84/929003484.db2.gz SWOMVRAYVKYYTR-ROUUACIJSA-N 1 0 406.530 4.232 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2cccc(Br)c2)C2CC2)CC1 ZINC000521587034 929313195 /nfs/dbraw/zinc/31/31/95/929313195.db2.gz ZPVZUGILZPZXHN-UHFFFAOYSA-N 1 0 406.368 4.164 20 30 HIEDRO CCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@H]1CCc2ccccc21 ZINC000521819988 929478271 /nfs/dbraw/zinc/47/82/71/929478271.db2.gz PXLGHVPVNPLMDL-QHCPKHFHSA-N 1 0 422.573 4.351 20 30 HIEDRO C=CCOc1ccc(C[NH2+]C[C@H](c2ccc(F)cc2)N2CCOCC2)cc1Cl ZINC000521823097 929479165 /nfs/dbraw/zinc/47/91/65/929479165.db2.gz DRQOXRHAQDEYKK-OAQYLSRUSA-N 1 0 404.913 4.207 20 30 HIEDRO CC(C)(C#N)c1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000521851852 929501548 /nfs/dbraw/zinc/50/15/48/929501548.db2.gz OFEZYORAIMEQJD-RTWAWAEBSA-N 1 0 402.542 4.474 20 30 HIEDRO C[N@H+](CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1CCCC1 ZINC000524558192 929686898 /nfs/dbraw/zinc/68/68/98/929686898.db2.gz IHXUTSAMIPHMCR-UHFFFAOYSA-N 1 0 406.530 4.328 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3c[nH]nc3-c3ccc(Cl)cc3)C2)c(F)c1 ZINC000524688094 929799976 /nfs/dbraw/zinc/79/99/76/929799976.db2.gz XVLMFCVQLBOJBP-IBGZPJMESA-N 1 0 409.896 4.499 20 30 HIEDRO C=CCOc1cccc(C[NH2+]Cc2cccnc2Oc2cccc(S(C)(=O)=O)c2)c1 ZINC000525184053 930079630 /nfs/dbraw/zinc/07/96/30/930079630.db2.gz HFSADUOGLLEIQH-UHFFFAOYSA-N 1 0 424.522 4.132 20 30 HIEDRO CCC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)Cc1ccc(C#N)cc1 ZINC000525275880 930126405 /nfs/dbraw/zinc/12/64/05/930126405.db2.gz RAAPGGYXRYFEQK-HSZRJFAPSA-N 1 0 421.541 4.151 20 30 HIEDRO CCC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000525409574 930224081 /nfs/dbraw/zinc/22/40/81/930224081.db2.gz DOJMYTDVCYVSJH-CEWLAPEOSA-N 1 0 403.954 4.112 20 30 HIEDRO C[C@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cc2ccccc2s1 ZINC000525952193 930492446 /nfs/dbraw/zinc/49/24/46/930492446.db2.gz NWZPCQPAQNBJMV-FUHWJXTLSA-N 1 0 424.595 4.022 20 30 HIEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 ZINC000526973625 930560433 /nfs/dbraw/zinc/56/04/33/930560433.db2.gz ZSXFXRHMJONURN-IBGZPJMESA-N 1 0 412.578 4.012 20 30 HIEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@H]1c1ccccc1 ZINC000530515692 930734313 /nfs/dbraw/zinc/73/43/13/930734313.db2.gz KFBHIPIITCUYOM-PKOBYXMFSA-N 1 0 418.419 4.066 20 30 HIEDRO CC(C)OCCN1CCC([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000530631042 930779209 /nfs/dbraw/zinc/77/92/09/930779209.db2.gz MJIGTKRZGXPKFQ-UHFFFAOYSA-N 1 0 407.558 4.116 20 30 HIEDRO N#C[C@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000531115001 930926092 /nfs/dbraw/zinc/92/60/92/930926092.db2.gz GEEABUBAEVDEJC-IBGZPJMESA-N 1 0 412.371 4.140 20 30 HIEDRO C=CCN1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000532230962 931364368 /nfs/dbraw/zinc/36/43/68/931364368.db2.gz POVJKBFHWQADRK-CYBMUJFWSA-N 1 0 403.876 4.316 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@@H](C)Cc2ccc(C)cc2)c1C#N ZINC000532583096 931541082 /nfs/dbraw/zinc/54/10/82/931541082.db2.gz OHLPYNCVPMGVIG-SFHVURJKSA-N 1 0 418.541 4.428 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)CN2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)ccc1Cl ZINC000532700706 931595505 /nfs/dbraw/zinc/59/55/05/931595505.db2.gz ZBSLNTNAHXTRDV-ZJOUEHCJSA-N 1 0 416.997 4.232 20 30 HIEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000532709181 931601246 /nfs/dbraw/zinc/60/12/46/931601246.db2.gz RKQCWFUVSFUZIV-AWEZNQCLSA-N 1 0 407.905 4.295 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+]C1(c3ccccc3)CCOCC1)CCCC2 ZINC000532711580 931602533 /nfs/dbraw/zinc/60/25/33/931602533.db2.gz OLWXSZZXYQLVOU-UHFFFAOYSA-N 1 0 409.555 4.123 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc3sc(C(=O)OCC)cc3c2)CC1 ZINC000532811870 931636029 /nfs/dbraw/zinc/63/60/29/931636029.db2.gz LIBHOPOUKHVJDZ-UHFFFAOYSA-N 1 0 401.532 4.240 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000532938708 931704253 /nfs/dbraw/zinc/70/42/53/931704253.db2.gz BXSWTCQAZQXXNE-NHCUHLMSSA-N 1 0 403.636 4.095 20 30 HIEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000533146133 931784218 /nfs/dbraw/zinc/78/42/18/931784218.db2.gz DDHNXRAEPYADOO-UHFFFAOYSA-N 1 0 414.509 4.386 20 30 HIEDRO C=CCOc1cccc(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)c1 ZINC000533201232 931807602 /nfs/dbraw/zinc/80/76/02/931807602.db2.gz OZGDJRMQJNMRQL-UHFFFAOYSA-N 1 0 417.347 4.140 20 30 HIEDRO C=CC1CC[NH+](CCC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)CC1 ZINC000533287335 931828254 /nfs/dbraw/zinc/82/82/54/931828254.db2.gz ZJRDEWYMSQNSFY-UHFFFAOYSA-N 1 0 407.514 4.174 20 30 HIEDRO Cc1nc2c(s1)[C@@H]([N@H+](C)CCC(=O)Nc1sc3c(c1C#N)CCC3)CCC2 ZINC000533386278 931855051 /nfs/dbraw/zinc/85/50/51/931855051.db2.gz HXKUBNUYMSWELX-INIZCTEOSA-N 1 0 400.573 4.211 20 30 HIEDRO CCC[N@H+](CCC(=O)Nc1sccc1C#N)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000533411803 931861180 /nfs/dbraw/zinc/86/11/80/931861180.db2.gz CWKJFKQUCXUJKA-OAQYLSRUSA-N 1 0 410.587 4.325 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000533425529 931863977 /nfs/dbraw/zinc/86/39/77/931863977.db2.gz JMXXBEKRPUVBMI-KRWDZBQOSA-N 1 0 414.619 4.166 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000533866733 932070435 /nfs/dbraw/zinc/07/04/35/932070435.db2.gz JSEUOCPLVOFICF-SFHVURJKSA-N 1 0 406.555 4.418 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000533975927 932153630 /nfs/dbraw/zinc/15/36/30/932153630.db2.gz VMLWIKARSZRFFC-UHFFFAOYSA-N 1 0 418.994 4.346 20 30 HIEDRO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@@H+]1CCCC13CCCCC3)CCCC2 ZINC000533992975 932171023 /nfs/dbraw/zinc/17/10/23/932171023.db2.gz OYBIXTHTSXALGB-IBGZPJMESA-N 1 0 424.589 4.155 20 30 HIEDRO C=CCOc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CCN(C)CC2)c1 ZINC000534205438 932330511 /nfs/dbraw/zinc/33/05/11/932330511.db2.gz FVFAOXLJPUPZBU-XZOQPEGZSA-N 1 0 414.594 4.052 20 30 HIEDRO C[N@@H+]1CC[C@@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534245227 932363013 /nfs/dbraw/zinc/36/30/13/932363013.db2.gz BUIBZOIGOMTEGT-UWJYYQICSA-N 1 0 411.908 4.192 20 30 HIEDRO C[C@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000534835100 932800879 /nfs/dbraw/zinc/80/08/79/932800879.db2.gz JKYWSPAPOFVFKA-LLVKDONJSA-N 1 0 419.316 4.451 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000534924989 932841219 /nfs/dbraw/zinc/84/12/19/932841219.db2.gz FGVJFFUIMPCVCR-UHFFFAOYSA-N 1 0 414.509 4.211 20 30 HIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000535071791 932897490 /nfs/dbraw/zinc/89/74/90/932897490.db2.gz ZEWXGLBKIXFGKO-UPXZRFMXSA-N 1 0 403.570 4.270 20 30 HIEDRO N#Cc1ccc(CSCC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000535680478 933332369 /nfs/dbraw/zinc/33/23/69/933332369.db2.gz KOIFEEMHUVBVGY-UHFFFAOYSA-N 1 0 419.594 4.306 20 30 HIEDRO N#CC1(c2ccccc2)CCC(Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC1 ZINC000535839181 933424704 /nfs/dbraw/zinc/42/47/04/933424704.db2.gz YKEYSKGMIAJOIU-UHFFFAOYSA-N 1 0 416.569 4.200 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@H](C3CCOCC3)C2)c1C#N ZINC000535871183 933453860 /nfs/dbraw/zinc/45/38/60/933453860.db2.gz RFUHSSNNPTYPST-FQEVSTJZSA-N 1 0 412.578 4.169 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cccc(COC4CCOCC4)c3)CC2)cc1 ZINC000537288455 933698523 /nfs/dbraw/zinc/69/85/23/933698523.db2.gz BESSLIDOUAGXPN-UHFFFAOYSA-N 1 0 419.569 4.008 20 30 HIEDRO C=CCc1cc(C[N@@H+](CCC)C2CCN(c3cc(C)nc(C)n3)CC2)cc(OC)c1O ZINC000537624806 938337853 /nfs/dbraw/zinc/33/78/53/938337853.db2.gz QXLOJBXUAQHBEF-UHFFFAOYSA-N 1 0 424.589 4.417 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)[C@H](C)c2cccnc2)c1C#N ZINC000537900742 938404940 /nfs/dbraw/zinc/40/49/40/938404940.db2.gz SAQRBVXSHAHCOM-GOSISDBHSA-N 1 0 405.502 4.035 20 30 HIEDRO COc1ccccc1NC(=O)C[C@H](C)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537977909 938444860 /nfs/dbraw/zinc/44/48/60/938444860.db2.gz ZJBNVYLFJQDDDZ-KKXNLOMOSA-N 1 0 407.514 4.264 20 30 HIEDRO C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537979451 938445473 /nfs/dbraw/zinc/44/54/73/938445473.db2.gz GZLIHOJLDUDWAL-UNQZTGDCSA-N 1 0 404.558 4.143 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000563324379 945179609 /nfs/dbraw/zinc/17/96/09/945179609.db2.gz MXAIIFMWKSFRMA-UUOWRZLLSA-N 1 0 424.504 4.267 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000538126039 938511995 /nfs/dbraw/zinc/51/19/95/938511995.db2.gz SNGXDIUJWACSAE-RTBURBONSA-N 1 0 409.530 4.468 20 30 HIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000538129186 938513800 /nfs/dbraw/zinc/51/38/00/938513800.db2.gz XMFKNDZUWHQPFV-OALUTQOASA-N 1 0 406.530 4.248 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccccc2-n2cccn2)c1 ZINC000538159816 938529103 /nfs/dbraw/zinc/52/91/03/938529103.db2.gz IGJOGTXBESVQPE-FQEVSTJZSA-N 1 0 401.514 4.087 20 30 HIEDRO COc1ccccc1-c1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000538261846 938577852 /nfs/dbraw/zinc/57/78/52/938577852.db2.gz XYIZIAHIGMIBHP-SFHVURJKSA-N 1 0 420.534 4.358 20 30 HIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000538266927 938578911 /nfs/dbraw/zinc/57/89/11/938578911.db2.gz RRDUNQQAUPNAGY-HUUCEWRRSA-N 1 0 407.905 4.384 20 30 HIEDRO C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1ccc(C#N)cc1 ZINC000538395188 938610070 /nfs/dbraw/zinc/61/00/70/938610070.db2.gz GBUXWIMLNKGJIT-OAHLLOKOSA-N 1 0 400.320 4.020 20 30 HIEDRO Cc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000538831701 938722115 /nfs/dbraw/zinc/72/21/15/938722115.db2.gz RBAIOHMXWUUAGE-UHFFFAOYSA-N 1 0 403.530 4.325 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](Cc2ccccc2)[C@@H](C)CCO)c1C#N ZINC000538953177 938747448 /nfs/dbraw/zinc/74/74/48/938747448.db2.gz BUAVKHCMLBZSQK-SFHVURJKSA-N 1 0 422.573 4.303 20 30 HIEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000539209397 938819384 /nfs/dbraw/zinc/81/93/84/938819384.db2.gz BMGFFEJHLRCUKM-HSZRJFAPSA-N 1 0 402.542 4.385 20 30 HIEDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)cc1F ZINC000539243214 938824557 /nfs/dbraw/zinc/82/45/57/938824557.db2.gz WVXTYLQASMVYGL-GJZGRUSLSA-N 1 0 401.507 4.375 20 30 HIEDRO COc1ccc(F)cc1[C@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000539268439 938830421 /nfs/dbraw/zinc/83/04/21/938830421.db2.gz OHMSQPNNUYDRIY-ZDUSSCGKSA-N 1 0 401.507 4.326 20 30 HIEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000539317751 938840300 /nfs/dbraw/zinc/84/03/00/938840300.db2.gz ZAXWUTIMTYPTDX-QGZVFWFLSA-N 1 0 408.477 4.439 20 30 HIEDRO Cn1cc(C[NH2+]CCOc2cccc(Cl)c2Cl)c(-c2ccc(C#N)cc2)n1 ZINC000539795540 938936641 /nfs/dbraw/zinc/93/66/41/938936641.db2.gz QYWJXRQFBCYRTL-UHFFFAOYSA-N 1 0 401.297 4.434 20 30 HIEDRO CC[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000539829336 938950151 /nfs/dbraw/zinc/95/01/51/938950151.db2.gz RIOQUYSDXDPIOU-NRFANRHFSA-N 1 0 407.514 4.005 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC3(C2)CCOCC3)cc1OCC ZINC000539861982 938960395 /nfs/dbraw/zinc/96/03/95/938960395.db2.gz DJPPHTCLMFLFER-UHFFFAOYSA-N 1 0 410.352 4.415 20 30 HIEDRO CC[NH+](CC)CC1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000540309626 939189140 /nfs/dbraw/zinc/18/91/40/939189140.db2.gz VSPWDYOJYKKZQC-UHFFFAOYSA-N 1 0 404.558 4.489 20 30 HIEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(OCC(F)(F)F)cc1 ZINC000540362920 939211222 /nfs/dbraw/zinc/21/12/22/939211222.db2.gz KSBYGTRXXUPKET-INIZCTEOSA-N 1 0 405.420 4.225 20 30 HIEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Oc2ccccc2)cc1 ZINC000540363205 939211313 /nfs/dbraw/zinc/21/13/13/939211313.db2.gz UJGWLIQBEIYQFV-GOSISDBHSA-N 1 0 406.507 4.475 20 30 HIEDRO COc1cc([C@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)ccc1OCC(C)C ZINC000540366583 939212127 /nfs/dbraw/zinc/21/21/27/939212127.db2.gz VUIGYPYPYYRBND-HNNXBMFYSA-N 1 0 401.532 4.343 20 30 HIEDRO CCOc1cccc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)c1 ZINC000540379944 939218895 /nfs/dbraw/zinc/21/88/95/939218895.db2.gz KUBRCRANUZFKTO-KRWDZBQOSA-N 1 0 420.513 4.306 20 30 HIEDRO C[C@@H]1C[C@H]1[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000540522556 939286642 /nfs/dbraw/zinc/28/66/42/939286642.db2.gz WGWYNQXJVLHNKX-RBQRDFNRSA-N 1 0 419.916 4.323 20 30 HIEDRO CN1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000540606745 939318074 /nfs/dbraw/zinc/31/80/74/939318074.db2.gz RYAGWEQFSSKWQY-RPWUZVMVSA-N 1 0 408.977 4.211 20 30 HIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000541026936 939434024 /nfs/dbraw/zinc/43/40/24/939434024.db2.gz JJEPHLQQBRGOHS-ZWKOTPCHSA-N 1 0 419.504 4.306 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)CSc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1 ZINC000541074704 939451336 /nfs/dbraw/zinc/45/13/36/939451336.db2.gz ZMAUDZQHBPFLMG-SFHVURJKSA-N 1 0 407.461 4.088 20 30 HIEDRO N#CCc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)cc1 ZINC000541280718 939489222 /nfs/dbraw/zinc/48/92/22/939489222.db2.gz ILEBTBKNJYXAIH-UHFFFAOYSA-N 1 0 412.331 4.366 20 30 HIEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1c(C)nn(C)c1C ZINC000541602825 939566328 /nfs/dbraw/zinc/56/63/28/939566328.db2.gz AHVIBORMSXGLSX-KBXCAEBGSA-N 1 0 413.591 4.307 20 30 HIEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000541659616 939591419 /nfs/dbraw/zinc/59/14/19/939591419.db2.gz JNSZQUUCIYJMJN-UONOGXRCSA-N 1 0 404.967 4.431 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000541701670 939609243 /nfs/dbraw/zinc/60/92/43/939609243.db2.gz VQKYKJBQSSLHRL-OAHLLOKOSA-N 1 0 400.935 4.375 20 30 HIEDRO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541703701 939609659 /nfs/dbraw/zinc/60/96/59/939609659.db2.gz NSFLNGQIJLTDCY-AZUAARDMSA-N 1 0 401.869 4.141 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(CC#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000541966316 939664798 /nfs/dbraw/zinc/66/47/98/939664798.db2.gz XEGFRZPDNOMGHQ-AZUAARDMSA-N 1 0 422.495 4.424 20 30 HIEDRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542004092 939680667 /nfs/dbraw/zinc/68/06/67/939680667.db2.gz CFWJCPQDRGFGFT-WBVHZDCISA-N 1 0 401.514 4.253 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc([N+](=O)[O-])cc1Cl ZINC000542005016 939681355 /nfs/dbraw/zinc/68/13/55/939681355.db2.gz ILSYVGQEQQEVJG-UHFFFAOYSA-N 1 0 421.954 4.346 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]C3CCN(CCc4ccc(F)cc4)CC3)CC2)nc1 ZINC000542008074 939683096 /nfs/dbraw/zinc/68/30/96/939683096.db2.gz JGDOBNIMYXMZKZ-UHFFFAOYSA-N 1 0 422.548 4.079 20 30 HIEDRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 ZINC000542013716 939684973 /nfs/dbraw/zinc/68/49/73/939684973.db2.gz XLOFNEMNIUIKDH-KRWDZBQOSA-N 1 0 412.493 4.473 20 30 HIEDRO C[C@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542257673 939774273 /nfs/dbraw/zinc/77/42/73/939774273.db2.gz RYTSAVNYYSUQCF-JTSKRJEESA-N 1 0 417.465 4.224 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529811 939838342 /nfs/dbraw/zinc/83/83/42/939838342.db2.gz UEIHPWCDWZZWQL-CEXWTWQISA-N 1 0 414.619 4.119 20 30 HIEDRO CC(C)COC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccco1 ZINC000542556072 939843046 /nfs/dbraw/zinc/84/30/46/939843046.db2.gz LQJULIHRCAKECF-GOSISDBHSA-N 1 0 415.559 4.424 20 30 HIEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c1C#N ZINC000542574464 939845445 /nfs/dbraw/zinc/84/54/45/939845445.db2.gz NYKUSSLIZWQDMF-INIZCTEOSA-N 1 0 422.508 4.172 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1nc2c(s1)CCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542944746 939883408 /nfs/dbraw/zinc/88/34/08/939883408.db2.gz FLOPPAJKMPYSQM-HNNXBMFYSA-N 1 0 402.523 4.460 20 30 HIEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CCC(CCC[NH+]4CCCC4)CC3)n2)c(F)c1 ZINC000542960050 939886449 /nfs/dbraw/zinc/88/64/49/939886449.db2.gz KHJVXYAARQAIMC-UHFFFAOYSA-N 1 0 424.524 4.003 20 30 HIEDRO C[C@@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543016336 939895704 /nfs/dbraw/zinc/89/57/04/939895704.db2.gz IFRIZFGVDCZBKM-TZIWHRDSSA-N 1 0 402.542 4.414 20 30 HIEDRO N#Cc1ccc(CN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C2CC2)cc1 ZINC000543304334 940023447 /nfs/dbraw/zinc/02/34/47/940023447.db2.gz ASJILIDCKVGEBU-UHFFFAOYSA-N 1 0 402.542 4.418 20 30 HIEDRO C[C@@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000543363069 940041957 /nfs/dbraw/zinc/04/19/57/940041957.db2.gz UQVYCALZJNUTAZ-AUSIDOKSSA-N 1 0 402.542 4.285 20 30 HIEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000543515720 940092217 /nfs/dbraw/zinc/09/22/17/940092217.db2.gz JMZLRPBSXSSNKF-YUNKPMOVSA-N 1 0 402.951 4.231 20 30 HIEDRO CC[NH+](CC)CC1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000563784916 945301463 /nfs/dbraw/zinc/30/14/63/945301463.db2.gz QSUBSYLKTPFHNQ-UHFFFAOYSA-N 1 0 407.518 4.331 20 30 HIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000543809964 940193304 /nfs/dbraw/zinc/19/33/04/940193304.db2.gz SZKTYOOEDSOLEX-HUUCEWRRSA-N 1 0 419.554 4.280 20 30 HIEDRO COc1cccc2c1CC[N@H+](CCC(=O)Nc1sc3c(c1C#N)CC[C@H](C)C3)C2 ZINC000543873378 940219559 /nfs/dbraw/zinc/21/95/59/940219559.db2.gz NVPKWVHHMCXCIB-HNNXBMFYSA-N 1 0 409.555 4.140 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[N@H+]3CCC[C@@](O)(C(F)(F)F)CC3)c2)c1 ZINC000563839792 945310008 /nfs/dbraw/zinc/31/00/08/945310008.db2.gz CBAPARLYGBXHSI-NRFANRHFSA-N 1 0 404.432 4.417 20 30 HIEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)c1ccc(Cl)s1 ZINC000544448400 940435301 /nfs/dbraw/zinc/43/53/01/940435301.db2.gz HNTQWKXMKLLVJD-INIZCTEOSA-N 1 0 422.982 4.407 20 30 HIEDRO CCC[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000544530306 940472639 /nfs/dbraw/zinc/47/26/39/940472639.db2.gz NKZQYRKNMPPQSF-OALUTQOASA-N 1 0 412.578 4.011 20 30 HIEDRO COc1cc(C#N)ccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000546711014 940871575 /nfs/dbraw/zinc/87/15/75/940871575.db2.gz DUNUEXJGGFTWLP-IRLDBZIGSA-N 1 0 404.514 4.085 20 30 HIEDRO CC[NH+](CC)CCOc1ccccc1-c1noc([C@H](C)Oc2ccccc2C#N)n1 ZINC000547010941 940954944 /nfs/dbraw/zinc/95/49/44/940954944.db2.gz MZDMMLFIBSPODV-KRWDZBQOSA-N 1 0 406.486 4.469 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](c3ccccc3)C(F)(F)F)CC2)cc1 ZINC000547843579 941078036 /nfs/dbraw/zinc/07/80/36/941078036.db2.gz QWHPHXKSFWFOJM-FQEVSTJZSA-N 1 0 416.447 4.079 20 30 HIEDRO N#Cc1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000547984520 941081881 /nfs/dbraw/zinc/08/18/81/941081881.db2.gz LLSFUDOZKVSYLW-IBGZPJMESA-N 1 0 405.889 4.107 20 30 HIEDRO C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 ZINC000548212100 941092096 /nfs/dbraw/zinc/09/20/96/941092096.db2.gz ZQKQULXWXOWMJQ-SFHVURJKSA-N 1 0 412.921 4.206 20 30 HIEDRO N#Cc1ccc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000548305862 941094894 /nfs/dbraw/zinc/09/48/94/941094894.db2.gz DFIGADRCVNLYAA-UHFFFAOYSA-N 1 0 411.933 4.013 20 30 HIEDRO N#C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000549035267 941146650 /nfs/dbraw/zinc/14/66/50/941146650.db2.gz ZZVSOOUFXUMBSL-IBGZPJMESA-N 1 0 403.404 4.176 20 30 HIEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)c1ccc(C#N)cc1 ZINC000549161379 941167271 /nfs/dbraw/zinc/16/72/71/941167271.db2.gz GANWMUPYJLVAHZ-BLLLJJGKSA-N 1 0 409.711 4.065 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000549299465 941178224 /nfs/dbraw/zinc/17/82/24/941178224.db2.gz RFTMVIGVQCEMHG-OAQYLSRUSA-N 1 0 411.594 4.218 20 30 HIEDRO CCN1CC[C@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549475169 941194118 /nfs/dbraw/zinc/19/41/18/941194118.db2.gz CUVHYBSWOOHETD-RBBKRZOGSA-N 1 0 414.912 4.104 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccccc1Cl ZINC000549549680 941199025 /nfs/dbraw/zinc/19/90/25/941199025.db2.gz FPBKEBBNCXOBKN-QGZVFWFLSA-N 1 0 424.854 4.438 20 30 HIEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000549690653 941204687 /nfs/dbraw/zinc/20/46/87/941204687.db2.gz IFBCUOQHXBKOKA-SFTDATJTSA-N 1 0 408.594 4.315 20 30 HIEDRO N#Cc1ccc(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)s1 ZINC000549843446 941212106 /nfs/dbraw/zinc/21/21/06/941212106.db2.gz NXCYJQJSIIKHEV-UHFFFAOYSA-N 1 0 409.324 4.403 20 30 HIEDRO C=CCC[C@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000550171564 941292816 /nfs/dbraw/zinc/29/28/16/941292816.db2.gz JAYRWMUOWZAQLG-DEOSSOPVSA-N 1 0 419.569 4.112 20 30 HIEDRO CC(C)(C)c1csc(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1C#N ZINC000551114676 941412780 /nfs/dbraw/zinc/41/27/80/941412780.db2.gz FYWRGQKERUDIAK-UHFFFAOYSA-N 1 0 424.570 4.133 20 30 HIEDRO CCNC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000551427120 941477232 /nfs/dbraw/zinc/47/72/32/941477232.db2.gz IYQVXOBFYPUKLQ-JOCHJYFZSA-N 1 0 421.541 4.027 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2cnc3n2CCCC3)cc1OCC ZINC000551585576 941507407 /nfs/dbraw/zinc/50/74/07/941507407.db2.gz YEELVKCMQUPEJK-UHFFFAOYSA-N 1 0 420.351 4.235 20 30 HIEDRO CCOc1ccc(C2(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)CCOCC2)cc1 ZINC000552044388 941572670 /nfs/dbraw/zinc/57/26/70/941572670.db2.gz AOWHYUIYKAONIL-UHFFFAOYSA-N 1 0 419.569 4.264 20 30 HIEDRO N#Cc1ccc(Cl)c(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000552114582 941588063 /nfs/dbraw/zinc/58/80/63/941588063.db2.gz QTQDLEPDSZYFSF-SFHVURJKSA-N 1 0 405.889 4.107 20 30 HIEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)c2)CC1 ZINC000552125168 941589896 /nfs/dbraw/zinc/58/98/96/941589896.db2.gz MAXSRUFGUACXMQ-UHFFFAOYSA-N 1 0 408.521 4.144 20 30 HIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000552268130 941618264 /nfs/dbraw/zinc/61/82/64/941618264.db2.gz AHGNLIPYSQROQE-IVGWJTKZSA-N 1 0 405.542 4.263 20 30 HIEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(C#N)cc3OC(F)F)ccc2NC1=O ZINC000553010240 941814957 /nfs/dbraw/zinc/81/49/57/941814957.db2.gz AADIYTUTHMVRLF-SJCJKPOMSA-N 1 0 401.413 4.120 20 30 HIEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1 ZINC000553312403 941865584 /nfs/dbraw/zinc/86/55/84/941865584.db2.gz FWQPZFAVMXMZNB-UKILVPOCSA-N 1 0 422.475 4.344 20 30 HIEDRO N#CCC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)c1ccccc1 ZINC000553386036 941877639 /nfs/dbraw/zinc/87/76/39/941877639.db2.gz NEDAQLRKXRQZJO-SJLPKXTDSA-N 1 0 423.738 4.477 20 30 HIEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)c2C1 ZINC000553434726 941884136 /nfs/dbraw/zinc/88/41/36/941884136.db2.gz PEALXPHBMKYZKG-IBGZPJMESA-N 1 0 406.505 4.134 20 30 HIEDRO CC(C)(CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C[NH+]1CCCC1 ZINC000553503905 941897873 /nfs/dbraw/zinc/89/78/73/941897873.db2.gz LPZZEULRMDATLM-UHFFFAOYSA-N 1 0 416.997 4.056 20 30 HIEDRO C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H](c1ccccc1)[NH+](C)C ZINC000554072970 942030054 /nfs/dbraw/zinc/03/00/54/942030054.db2.gz HORASRRYYTUVBD-IIBYNOLFSA-N 1 0 419.554 4.418 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000554160742 942052325 /nfs/dbraw/zinc/05/23/25/942052325.db2.gz VEQFCLKMSWDCEX-DEOSSOPVSA-N 1 0 404.514 4.087 20 30 HIEDRO COc1ccc([C@@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)[NH+]2CCCCC2)cc1 ZINC000554262032 942083486 /nfs/dbraw/zinc/08/34/86/942083486.db2.gz UXWWFQKDHYWAJJ-HSZRJFAPSA-N 1 0 418.541 4.082 20 30 HIEDRO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cccc(OCc4ccccc4C#N)c3)n1)OC2 ZINC000554840673 942277696 /nfs/dbraw/zinc/27/76/96/942277696.db2.gz ZROAFGHNZGFKOB-URXFXBBRSA-N 1 0 416.481 4.113 20 30 HIEDRO CC(C)OC(=O)C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000554879609 942305981 /nfs/dbraw/zinc/30/59/81/942305981.db2.gz XDJACBIUFTWZCB-DEOSSOPVSA-N 1 0 405.542 4.195 20 30 HIEDRO C=C(C)COCCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000554916621 942318132 /nfs/dbraw/zinc/31/81/32/942318132.db2.gz MTSIHOLMMFBBRP-VCYXJBJXSA-N 1 0 405.970 4.146 20 30 HIEDRO COc1cccc([C@H]2[C@@H]([NH2+]Cc3ccc(C#N)cc3OC(F)F)CCN2C2CC2)c1 ZINC000555131122 942395521 /nfs/dbraw/zinc/39/55/21/942395521.db2.gz ZIIXNGYSQRTNLP-UNMCSNQZSA-N 1 0 413.468 4.236 20 30 HIEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000555220471 942434197 /nfs/dbraw/zinc/43/41/97/942434197.db2.gz XFETVGANQLSZLQ-NRFANRHFSA-N 1 0 411.594 4.325 20 30 HIEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000555256014 942448768 /nfs/dbraw/zinc/44/87/68/942448768.db2.gz SAYMJKSBUJBEEK-NHCUHLMSSA-N 1 0 411.594 4.323 20 30 HIEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000555263407 942452412 /nfs/dbraw/zinc/45/24/12/942452412.db2.gz AULOAIBOXYYJGB-MBSDFSHPSA-N 1 0 416.573 4.456 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000555618992 942673532 /nfs/dbraw/zinc/67/35/32/942673532.db2.gz WLAKWCYCIGNVOT-UHFFFAOYSA-N 1 0 414.546 4.424 20 30 HIEDRO CN1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556884551 942949808 /nfs/dbraw/zinc/94/98/08/942949808.db2.gz CSYMINKJSTZSQN-PKTZIBPZSA-N 1 0 412.940 4.355 20 30 HIEDRO COc1cccc([C@H]2[C@@H](NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000556971224 942984366 /nfs/dbraw/zinc/98/43/66/942984366.db2.gz NAXJAFOGFGTYTA-GOTSBHOMSA-N 1 0 421.516 4.078 20 30 HIEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000557550960 943204977 /nfs/dbraw/zinc/20/49/77/943204977.db2.gz PQBOTIXZKIYTNQ-KRWDZBQOSA-N 1 0 404.986 4.055 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H](OCC2CC2)c2ccc(Cl)cc2)CC1 ZINC000557845637 943311139 /nfs/dbraw/zinc/31/11/39/943311139.db2.gz LWIFHCCYAHWWJK-OAQYLSRUSA-N 1 0 405.970 4.147 20 30 HIEDRO COc1cc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000558131485 943389558 /nfs/dbraw/zinc/38/95/58/943389558.db2.gz BZMWGGDTRRLBJW-WMZHIEFXSA-N 1 0 405.542 4.204 20 30 HIEDRO N#C[C@@H](CCc1ccccc1)C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000558301779 943493899 /nfs/dbraw/zinc/49/38/99/943493899.db2.gz ZUXVSWRRPPRQBR-XMMPIXPASA-N 1 0 401.554 4.274 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000558332688 943511235 /nfs/dbraw/zinc/51/12/35/943511235.db2.gz UMDOIQZFCSTPHI-JOCHJYFZSA-N 1 0 424.520 4.064 20 30 HIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1C#N ZINC000558737824 943635932 /nfs/dbraw/zinc/63/59/32/943635932.db2.gz JENHRLDQZUEXCR-SFHVURJKSA-N 1 0 411.509 4.186 20 30 HIEDRO Cc1cnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nc1-c1ccccc1F ZINC000558890713 943723024 /nfs/dbraw/zinc/72/30/24/943723024.db2.gz YHUITUZAYBTOOB-UHFFFAOYSA-N 1 0 401.489 4.175 20 30 HIEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)C1 ZINC000558924694 943749133 /nfs/dbraw/zinc/74/91/33/943749133.db2.gz FLRYHEIBGYJMLH-QFIPXVFZSA-N 1 0 414.557 4.033 20 30 HIEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000558988685 943789608 /nfs/dbraw/zinc/78/96/08/943789608.db2.gz SMFZECCYDHDOEB-NRFANRHFSA-N 1 0 418.589 4.169 20 30 HIEDRO C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(Cc2ccccn2)CC1 ZINC000558988137 943789996 /nfs/dbraw/zinc/78/99/96/943789996.db2.gz RJBIYOVEDMUMHM-HSZRJFAPSA-N 1 0 416.573 4.113 20 30 HIEDRO C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000558993573 943793486 /nfs/dbraw/zinc/79/34/86/943793486.db2.gz NDJVLUUYQXZDSA-UHFFFAOYSA-N 1 0 423.605 4.158 20 30 HIEDRO CCc1nc2ccccc2c(C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000559262457 943887347 /nfs/dbraw/zinc/88/73/47/943887347.db2.gz RMRASGLQHMFZMH-UHFFFAOYSA-N 1 0 412.537 4.325 20 30 HIEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@@H](CCC#N)c3ccccc3)cc2)CC1 ZINC000560082893 944152613 /nfs/dbraw/zinc/15/26/13/944152613.db2.gz VQCLCIMJTYVUBY-QHCPKHFHSA-N 1 0 406.530 4.004 20 30 HIEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)c1C#N ZINC000560173440 944186302 /nfs/dbraw/zinc/18/63/02/944186302.db2.gz HCEOPHJSDIYSJS-UHFFFAOYSA-N 1 0 409.493 4.055 20 30 HIEDRO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1CCCCO1 ZINC000561011104 944395677 /nfs/dbraw/zinc/39/56/77/944395677.db2.gz FJOAEHJYTDYERT-KRWDZBQOSA-N 1 0 403.592 4.498 20 30 HIEDRO C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC[N@@H+](C2CCC2)C1 ZINC000561535993 944660986 /nfs/dbraw/zinc/66/09/86/944660986.db2.gz OABQSHHRQKPYFF-KRWDZBQOSA-N 1 0 407.489 4.436 20 30 HIEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000561728680 944767503 /nfs/dbraw/zinc/76/75/03/944767503.db2.gz CCFMCBKXHPPZRT-UHFFFAOYSA-N 1 0 411.546 4.471 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000562024741 944900444 /nfs/dbraw/zinc/90/04/44/944900444.db2.gz MXHIRFIOYYXSBE-XMSQKQJNSA-N 1 0 417.557 4.430 20 30 HIEDRO C=CCn1c(-c2cccnc2)nnc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000562031076 944903368 /nfs/dbraw/zinc/90/33/68/944903368.db2.gz DSBFWAHBCQFVMI-VWLOTQADSA-N 1 0 414.557 4.019 20 30 HIEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CCC[N@@H+](C4CCCC4)CC3)cc2)ccn1 ZINC000562109293 944944877 /nfs/dbraw/zinc/94/48/77/944944877.db2.gz TUJWZQTYZTULIS-UHFFFAOYSA-N 1 0 405.502 4.228 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000564393521 945552617 /nfs/dbraw/zinc/55/26/17/945552617.db2.gz NMXGGKLWEKFWFR-DHJUGAMNSA-N 1 0 408.571 4.054 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1 ZINC000564393524 945552898 /nfs/dbraw/zinc/55/28/98/945552898.db2.gz NMXGGKLWEKFWFR-LLBVYWAGSA-N 1 0 408.571 4.054 20 30 HIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1ccc(OCc2ccccc2F)nc1 ZINC000564491316 945620396 /nfs/dbraw/zinc/62/03/96/945620396.db2.gz LVXXDAQBKBCJPC-UHFFFAOYSA-N 1 0 405.473 4.320 20 30 HIEDRO Cn1ccc([C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c2ccc(Cl)cc2)n1 ZINC000565320268 945808970 /nfs/dbraw/zinc/80/89/70/945808970.db2.gz YZNREZMIJBWOMO-QHCPKHFHSA-N 1 0 405.933 4.293 20 30 HIEDRO Cn1ccc([C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c2ccc(Cl)cc2)n1 ZINC000565320267 945809127 /nfs/dbraw/zinc/80/91/27/945809127.db2.gz YZNREZMIJBWOMO-HSZRJFAPSA-N 1 0 405.933 4.293 20 30 HIEDRO C[C@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)c1ccc(C#N)cc1 ZINC000565367845 945817697 /nfs/dbraw/zinc/81/76/97/945817697.db2.gz IWAGCSDIHKQKNL-HNAYVOBHSA-N 1 0 404.495 4.241 20 30 HIEDRO Cn1cc(CN(CC[NH+](C)C)Cc2cccc(Cl)c2)c(-c2ccc(C#N)cc2)n1 ZINC000566587808 946050431 /nfs/dbraw/zinc/05/04/31/946050431.db2.gz GFMDSBZZYYHNTQ-UHFFFAOYSA-N 1 0 407.949 4.176 20 30 HIEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1 ZINC000567088033 946239239 /nfs/dbraw/zinc/23/92/39/946239239.db2.gz SOENQEQSSIVOAP-OAHLLOKOSA-N 1 0 418.337 4.125 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC(N4CCCCC4=O)CC3)c2)c1 ZINC000567186124 946264260 /nfs/dbraw/zinc/26/42/60/946264260.db2.gz DVVDWIPMZFIWTL-UHFFFAOYSA-N 1 0 403.526 4.114 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(COC(C)(C)C)c1 ZINC000567410826 946329072 /nfs/dbraw/zinc/32/90/72/946329072.db2.gz IQZCPNAUZZNWPR-UHFFFAOYSA-N 1 0 422.573 4.147 20 30 HIEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)[C@@H]1CCOC(C)(C)C1 ZINC000568331465 946513026 /nfs/dbraw/zinc/51/30/26/946513026.db2.gz ASKXJQDLMSHTTR-LJQANCHMSA-N 1 0 400.567 4.310 20 30 HIEDRO Cc1n[nH]c(C)c1[C@@H]1CCCCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000569112975 946817945 /nfs/dbraw/zinc/81/79/45/946817945.db2.gz VNGQCLYKXRPXIG-NRFANRHFSA-N 1 0 403.534 4.316 20 30 HIEDRO CC1CC[NH+](Cc2ccc(CNC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cc2)CC1 ZINC000569476116 946878050 /nfs/dbraw/zinc/87/80/50/946878050.db2.gz IYYXSYRCCGTYNZ-UHFFFAOYSA-N 1 0 416.447 4.134 20 30 HIEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000570466706 947254076 /nfs/dbraw/zinc/25/40/76/947254076.db2.gz GAOIXHAUPXQODS-DEOSSOPVSA-N 1 0 407.558 4.272 20 30 HIEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000570466707 947254466 /nfs/dbraw/zinc/25/44/66/947254466.db2.gz GAOIXHAUPXQODS-XMMPIXPASA-N 1 0 407.558 4.272 20 30 HIEDRO COc1ccc([C@@H](CNc2cccc(Br)c2C#N)[NH+](C)C)cc1OC ZINC000570493269 947267262 /nfs/dbraw/zinc/26/72/62/947267262.db2.gz KKXMISKXKGIHJJ-QGZVFWFLSA-N 1 0 404.308 4.053 20 30 HIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nc(C(F)(F)F)cn3C)C2)cc1OC ZINC000571841719 947801713 /nfs/dbraw/zinc/80/17/13/947801713.db2.gz JUOZDAYYATVJKV-MRXNPFEDSA-N 1 0 409.452 4.392 20 30 HIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000571986777 947826166 /nfs/dbraw/zinc/82/61/66/947826166.db2.gz QOIJYLWPKQSBNC-GONLTWLXSA-N 1 0 423.532 4.402 20 30 HIEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000572783860 948008429 /nfs/dbraw/zinc/00/84/29/948008429.db2.gz FYYXFYWUNMAZTP-UHFFFAOYSA-N 1 0 418.589 4.381 20 30 HIEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000573025497 948062166 /nfs/dbraw/zinc/06/21/66/948062166.db2.gz NJTSGDTUYGVKBQ-UHFFFAOYSA-N 1 0 420.605 4.483 20 30 HIEDRO C[NH+](C)CCc1ccc(CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1 ZINC000573143893 948088663 /nfs/dbraw/zinc/08/86/63/948088663.db2.gz FVNXVQQXZQCZGR-UHFFFAOYSA-N 1 0 415.497 4.171 20 30 HIEDRO C[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000573381433 948174784 /nfs/dbraw/zinc/17/47/84/948174784.db2.gz FOJQINWHJPQCHM-AWEZNQCLSA-N 1 0 408.386 4.189 20 30 HIEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000574245585 948397391 /nfs/dbraw/zinc/39/73/91/948397391.db2.gz AMCURGPIADYUNW-HXUWFJFHSA-N 1 0 402.464 4.459 20 30 HIEDRO Cc1cc(N2CC[C@@H]([NH2+][C@H]3CCc4ccc(C#N)cc43)C2=O)ccc1Br ZINC000574442172 948443655 /nfs/dbraw/zinc/44/36/55/948443655.db2.gz IYJSPRXYWCEGNR-VQTJNVASSA-N 1 0 410.315 4.012 20 30 HIEDRO C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000575970655 948804576 /nfs/dbraw/zinc/80/45/76/948804576.db2.gz ASDYKZIFIDWIES-UHFFFAOYSA-N 1 0 423.605 4.308 20 30 HIEDRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000576032805 948813426 /nfs/dbraw/zinc/81/34/26/948813426.db2.gz ZBZANWHTAZYGLU-HNNXBMFYSA-N 1 0 405.365 4.153 20 30 HIEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000006949597 569188461 /nfs/dbraw/zinc/18/84/61/569188461.db2.gz GVEICCSPGYMWGR-XUZZJYLKSA-N 1 0 411.505 4.201 20 30 HIEDRO N#Cc1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc2ccc([N+](=O)[O-])cc12 ZINC001164629038 719110075 /nfs/dbraw/zinc/11/00/75/719110075.db2.gz QNTMSCBKEVRFLX-JPYJTQIMSA-N 1 0 413.481 4.115 20 30 HIEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ncc(CC#N)cc1Cl)CC2 ZINC001164838848 720722298 /nfs/dbraw/zinc/72/22/98/720722298.db2.gz JKBVGYCMRIYJLE-FQEVSTJZSA-N 1 0 410.949 4.061 20 30 HIEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3cccs3)ccc1C#N)[C@H]2C ZINC001164861954 721004488 /nfs/dbraw/zinc/00/44/88/721004488.db2.gz RUEISKJJYLPXTQ-INIZCTEOSA-N 1 0 406.559 4.300 20 30 HIEDRO C=CCOCc1nn(C)c2c1CN(c1ccc([C@@H]3CCCC[N@H+]3CCC)cn1)CC2 ZINC001164790298 721446957 /nfs/dbraw/zinc/44/69/57/721446957.db2.gz XXUUVMZUKNFKCL-QFIPXVFZSA-N 1 0 409.578 4.017 20 30 HIEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903125 721554806 /nfs/dbraw/zinc/55/48/06/721554806.db2.gz ARZMSLQVLCPVMZ-UYAOXDASSA-N 1 0 420.513 4.163 20 30 HIEDRO N#Cc1ccc2ccnc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164908506 721699788 /nfs/dbraw/zinc/69/97/88/721699788.db2.gz ZOTXHCBNSQLZKW-QHCPKHFHSA-N 1 0 419.479 4.239 20 30 HIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C4(C#N)CCC4)cn3)C[C@@H]21 ZINC001165019859 721811955 /nfs/dbraw/zinc/81/19/55/721811955.db2.gz BZYCYBUDEKVGRJ-WTIAFYNJSA-N 1 0 401.558 4.159 20 30 HIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(-c4ccncc4)ccc3C#N)C[C@@H]21 ZINC001165028194 721822494 /nfs/dbraw/zinc/82/24/94/721822494.db2.gz UVNMFYWHZYUFJH-UMXIMWEHSA-N 1 0 424.552 4.147 20 30 HIEDRO CCN(CC(=O)Nc1ccccc1SCC#N)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000435943259 861208185 /nfs/dbraw/zinc/20/81/85/861208185.db2.gz OMDNTIQDOMLQKI-TZIWHRDSSA-N 1 0 422.598 4.398 20 30 HIEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000436147869 861446909 /nfs/dbraw/zinc/44/69/09/861446909.db2.gz DNTWFQZYJFYBOV-LADGPHEKSA-N 1 0 417.557 4.051 20 30 HIEDRO COc1cc(C[N@H+](C)[C@H](CO)c2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC000436256022 861567272 /nfs/dbraw/zinc/56/72/72/861567272.db2.gz ZJADWJLXKXXKSV-HSZRJFAPSA-N 1 0 402.494 4.311 20 30 HIEDRO Cc1cccc(NC(=S)C(C(=O)c2ccc3c(c2)CCC3)[n+]2cccc(CO)c2)c1 ZINC000010167501 845626271 /nfs/dbraw/zinc/62/62/71/845626271.db2.gz IRMRPOMHQBITTQ-UHFFFAOYSA-O 1 0 417.554 4.314 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000436332661 861638403 /nfs/dbraw/zinc/63/84/03/861638403.db2.gz PLLQEKCDZCJDJX-GMKZXUHWSA-N 1 0 405.517 4.336 20 30 HIEDRO CC(C)(C)c1ccccc1NC(=O)CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021405885 846438616 /nfs/dbraw/zinc/43/86/16/846438616.db2.gz QUMGXLDJTXLVMM-UHFFFAOYSA-N 1 0 404.558 4.002 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C(C)C)cc1)C(=S)NC[C@H]1CCCO1 ZINC000022691888 846605372 /nfs/dbraw/zinc/60/53/72/846605372.db2.gz DZGIEZRLZNCYGH-OAQYLSRUSA-O 1 0 411.591 4.367 20 30 HIEDRO CCCc1cc[n+](C(C(=O)c2ccc(C)s2)C(=S)NC[C@H]2CCCO2)cc1 ZINC000022692168 846605379 /nfs/dbraw/zinc/60/53/79/846605379.db2.gz QCTPHIUGQHNTOW-QGZVFWFLSA-O 1 0 403.593 4.004 20 30 HIEDRO Cc1ccccc1NC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1cccc(CO)c1 ZINC000022695746 846606492 /nfs/dbraw/zinc/60/64/92/846606492.db2.gz HLAHSPZNZADADD-UHFFFAOYSA-O 1 0 413.469 4.104 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccccc1Br)[n+]1cccc(C)c1 ZINC000022796646 846621905 /nfs/dbraw/zinc/62/19/05/846621905.db2.gz UFNXEYVXOZNAKP-UHFFFAOYSA-O 1 0 404.353 4.150 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1ccc(Cl)c(Cl)c1)C(=S)NCCOC ZINC000022792741 846621928 /nfs/dbraw/zinc/62/19/28/846621928.db2.gz KDTMUKXIZCZEHO-UHFFFAOYSA-O 1 0 412.362 4.018 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(C(C)(C)C)cc1)[n+]1ccc(N(C)C)cc1 ZINC000022797033 846621932 /nfs/dbraw/zinc/62/19/32/846621932.db2.gz MYLVHUTVGRYKLU-UHFFFAOYSA-O 1 0 410.607 4.442 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1ccccc1)C(=S)NCCc1ccc(OC)cc1 ZINC000022801141 846622588 /nfs/dbraw/zinc/62/25/88/846622588.db2.gz USLRKZHSZZOGPT-UHFFFAOYSA-O 1 0 419.570 4.316 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2)c1C#N ZINC000025440845 846977911 /nfs/dbraw/zinc/97/79/11/846977911.db2.gz RMFAKOJQVZBNQF-OAQYLSRUSA-N 1 0 416.525 4.264 20 30 HIEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccc(Br)cc2)c(OC)c1 ZINC000025661569 847016936 /nfs/dbraw/zinc/01/69/36/847016936.db2.gz KMCHZBIIABGYCZ-HNAYVOBHSA-N 1 0 420.347 4.277 20 30 HIEDRO Cc1ccccc1[C@@H](OC[C@H](O)C[N@@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000027208184 847266191 /nfs/dbraw/zinc/26/61/91/847266191.db2.gz OLZZEWNCDIWWBL-RSXGOPAZSA-N 1 0 400.522 4.466 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2Cc3ccccc3O2)cc1OC ZINC000027220140 847268500 /nfs/dbraw/zinc/26/85/00/847268500.db2.gz XWJKVWAJJPHLGL-MRXNPFEDSA-N 1 0 404.304 4.116 20 30 HIEDRO CC(=O)c1c(C)[nH]c(C(=O)C(C(=S)NCc2ccccc2)[n+]2cccc(C)c2)c1C ZINC000028778618 847458957 /nfs/dbraw/zinc/45/89/57/847458957.db2.gz QHEKANMROGLCJW-UHFFFAOYSA-O 1 0 420.558 4.159 20 30 HIEDRO CCNC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000028777011 847459122 /nfs/dbraw/zinc/45/91/22/847459122.db2.gz XKELGYMLIRNTLU-UHFFFAOYSA-O 1 0 400.524 4.037 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(Br)s1 ZINC000028885074 847471925 /nfs/dbraw/zinc/47/19/25/847471925.db2.gz KIYYZOLQGVRCBU-UHFFFAOYSA-N 1 0 424.389 4.393 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C2CC2)nc(SC)c1C#N)c1ccsc1 ZINC000029415110 847559844 /nfs/dbraw/zinc/55/98/44/847559844.db2.gz ZCKPBXNYHYPPLF-IBGZPJMESA-N 1 0 414.600 4.427 20 30 HIEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1Br ZINC000030509666 847724509 /nfs/dbraw/zinc/72/45/09/847724509.db2.gz PDIJXVDNYFZBKU-STQMWFEESA-N 1 0 402.292 4.007 20 30 HIEDRO Cc1ccc(NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000042684148 848344384 /nfs/dbraw/zinc/34/43/84/848344384.db2.gz SVFAFRRMLGFTJH-GOSISDBHSA-N 1 0 410.949 4.055 20 30 HIEDRO CSc1ccc([C@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000047054683 848977746 /nfs/dbraw/zinc/97/77/46/848977746.db2.gz RRGLMORBHOXIQQ-SFHVURJKSA-N 1 0 408.571 4.259 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3ccc(Cn4cncn4)cc3)c2)c1 ZINC000047700598 849092774 /nfs/dbraw/zinc/09/27/74/849092774.db2.gz IAIVLVVEYDGHHG-UHFFFAOYSA-N 1 0 409.493 4.067 20 30 HIEDRO COc1ccc([C@H](CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000047794006 849113369 /nfs/dbraw/zinc/11/33/69/849113369.db2.gz XVARVIUCCJAPIC-MBSDFSHPSA-N 1 0 406.530 4.154 20 30 HIEDRO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132772 849434473 /nfs/dbraw/zinc/43/44/73/849434473.db2.gz DAMQTQICBXZNNR-AUSIDOKSSA-N 1 0 409.555 4.340 20 30 HIEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)cc1 ZINC000051472393 849473372 /nfs/dbraw/zinc/47/33/72/849473372.db2.gz XEPMLMQYYGTZJT-PZJWPPBQSA-N 1 0 415.331 4.092 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)C ZINC000052710381 849616085 /nfs/dbraw/zinc/61/60/85/849616085.db2.gz KZJMECMTPYGFLK-JOCHJYFZSA-N 1 0 414.525 4.078 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000056196592 850279765 /nfs/dbraw/zinc/27/97/65/850279765.db2.gz RBBABJJZMGGJCU-ZIAGYGMSSA-N 1 0 412.515 4.475 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000056201381 850282717 /nfs/dbraw/zinc/28/27/17/850282717.db2.gz KODSCDYXXDQLQI-ROUUACIJSA-N 1 0 400.482 4.210 20 30 HIEDRO COc1cc(-c2noc(CCCCC[NH2+][C@@H]3CCc4ccc(C#N)cc43)n2)ccc1O ZINC000436934059 862113011 /nfs/dbraw/zinc/11/30/11/862113011.db2.gz FKYPTWFMXWRPPX-HXUWFJFHSA-N 1 0 418.497 4.312 20 30 HIEDRO CC(C)CN(C(=O)c1cccc(OCc2ccccc2C#N)c1)C1CC[NH+](C)CC1 ZINC000056986484 850530059 /nfs/dbraw/zinc/53/00/59/850530059.db2.gz TYMUUNQJOIQTBJ-UHFFFAOYSA-N 1 0 405.542 4.330 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](CC(F)(F)F)c1ccccc1 ZINC000057130661 850557604 /nfs/dbraw/zinc/55/76/04/850557604.db2.gz OKGRLJFRFNCUKO-HXUWFJFHSA-N 1 0 418.463 4.325 20 30 HIEDRO C[NH+]1CCN(Cc2cccc(NC(=O)c3ccccc3-c3ccccc3C#N)c2)CC1 ZINC000057273920 850596675 /nfs/dbraw/zinc/59/66/75/850596675.db2.gz BXKPJGWRRPUUEY-UHFFFAOYSA-N 1 0 410.521 4.225 20 30 HIEDRO C=CCc1cc(C(=O)N2CCC(C[NH+]3CCCCCC3)CC2)cc(OC)c1OC ZINC000058880338 850950168 /nfs/dbraw/zinc/95/01/68/850950168.db2.gz OJRDWYUDNYCBOG-UHFFFAOYSA-N 1 0 400.563 4.161 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCSc1ccc(Cl)cc1 ZINC000060575833 851153422 /nfs/dbraw/zinc/15/34/22/851153422.db2.gz AEMMIJMLPOELSJ-UHFFFAOYSA-N 1 0 401.963 4.284 20 30 HIEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)Cc1cccc(C#N)c1 ZINC000063300301 851654997 /nfs/dbraw/zinc/65/49/97/851654997.db2.gz IIBQDYXGLXALBX-UHFFFAOYSA-N 1 0 416.294 4.477 20 30 HIEDRO O=C(c1ccccc1)C(C(=S)Nc1ccc2c(c1)CCC2)[n+]1cccc(CO)c1 ZINC000063440746 851690294 /nfs/dbraw/zinc/69/02/94/851690294.db2.gz HLEVVGPZCSBRIB-UHFFFAOYSA-O 1 0 403.527 4.006 20 30 HIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063464321 851695893 /nfs/dbraw/zinc/69/58/93/851695893.db2.gz PKDPIWQCKRRWCU-XMMPIXPASA-N 1 0 404.558 4.392 20 30 HIEDRO CC(C)[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(-c2cccc(F)c2)s1 ZINC000063615160 851725202 /nfs/dbraw/zinc/72/52/02/851725202.db2.gz LPTPCFVCXNXWQL-UHFFFAOYSA-N 1 0 412.534 4.421 20 30 HIEDRO CCOc1ccc([C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1[N+](=O)[O-] ZINC000437086778 862278210 /nfs/dbraw/zinc/27/82/10/862278210.db2.gz LSJBLXUMDSATJG-VNCLNFNDSA-N 1 0 410.474 4.301 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]C2CCC3(CC2)C(=O)Nc2ccccc23)CC1 ZINC000437102666 862291167 /nfs/dbraw/zinc/29/11/67/862291167.db2.gz XJDGUSVTPRKVME-UHFFFAOYSA-N 1 0 416.525 4.066 20 30 HIEDRO C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437103706 862291468 /nfs/dbraw/zinc/29/14/68/862291468.db2.gz BAQQZQKUOQUTNE-OIULLBJASA-N 1 0 404.558 4.143 20 30 HIEDRO COc1ccc(C[NH2+]CC(C)(C)N2CCc3ccccc3C2)cc1OCCCC#N ZINC000064613830 851940674 /nfs/dbraw/zinc/94/06/74/851940674.db2.gz HZMOKXYHMSYKIB-UHFFFAOYSA-N 1 0 407.558 4.304 20 30 HIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000064735956 851971794 /nfs/dbraw/zinc/97/17/94/851971794.db2.gz RJUUFZIXMFPYTF-NSHGMRRFSA-N 1 0 407.514 4.208 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCOc1ccc(Cl)cc1Cl ZINC000065930358 852320231 /nfs/dbraw/zinc/32/02/31/852320231.db2.gz ZFFYYHNKHQEWKH-UHFFFAOYSA-N 1 0 420.340 4.224 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(Cl)cc1Cl ZINC000065930072 852321109 /nfs/dbraw/zinc/32/11/09/852321109.db2.gz GNGCBIZWNPUIEI-UHFFFAOYSA-N 1 0 404.341 4.388 20 30 HIEDRO C[C@H](Sc1ccccc1Cl)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930371 852321134 /nfs/dbraw/zinc/32/11/34/852321134.db2.gz NIIJGKHDSFWAFN-INIZCTEOSA-N 1 0 401.963 4.283 20 30 HIEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000097357856 852604733 /nfs/dbraw/zinc/60/47/33/852604733.db2.gz HEFMTMQSKNFSGC-SFHVURJKSA-N 1 0 421.488 4.255 20 30 HIEDRO CCC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)Cc1ccc(C#N)cc1 ZINC000097491140 852617982 /nfs/dbraw/zinc/61/79/82/852617982.db2.gz ITMHFCOFZUCKHE-QFIPXVFZSA-N 1 0 421.541 4.151 20 30 HIEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000107606437 852781146 /nfs/dbraw/zinc/78/11/46/852781146.db2.gz VISFLNZNKYDPJE-LJQANCHMSA-N 1 0 421.589 4.037 20 30 HIEDRO CC1CC[NH+]([C@H](CNC(=O)CSCc2ccc(C#N)cc2)c2cccs2)CC1 ZINC000107702524 852788457 /nfs/dbraw/zinc/78/84/57/852788457.db2.gz QZBWBRXVILQMMB-HXUWFJFHSA-N 1 0 413.612 4.442 20 30 HIEDRO C=CCc1cc(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)cc(OC)c1OC ZINC000109514024 852979822 /nfs/dbraw/zinc/97/98/22/852979822.db2.gz OSDFVCVOJIKOPE-UHFFFAOYSA-N 1 0 414.571 4.136 20 30 HIEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)CSCc1ccc(C#N)cc1 ZINC000109872586 853026741 /nfs/dbraw/zinc/02/67/41/853026741.db2.gz PTHXUFIMUWRIRT-UHFFFAOYSA-N 1 0 411.596 4.287 20 30 HIEDRO N#CCCn1cc(C(=O)CN2CCC(C[NH+]3CCCCCC3)CC2)c2ccccc21 ZINC000110185115 853070579 /nfs/dbraw/zinc/07/05/79/853070579.db2.gz WKGKYKSDZKTQFR-UHFFFAOYSA-N 1 0 406.574 4.326 20 30 HIEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)C[C@@H](C)O1 ZINC000110451897 853101325 /nfs/dbraw/zinc/10/13/25/853101325.db2.gz LUFNODCJEJCMPW-WOJBJXKFSA-N 1 0 417.553 4.187 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc1 ZINC000111018972 853187758 /nfs/dbraw/zinc/18/77/58/853187758.db2.gz UMAXSHCFFMWTFT-HXUWFJFHSA-N 1 0 409.505 4.383 20 30 HIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000116402104 853301212 /nfs/dbraw/zinc/30/12/12/853301212.db2.gz ZMIDABCAGGHNDN-UHFFFAOYSA-N 1 0 403.404 4.308 20 30 HIEDRO C[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000139804360 853422711 /nfs/dbraw/zinc/42/27/11/853422711.db2.gz JCDZLGLKHYAYEJ-ZDUSSCGKSA-N 1 0 406.408 4.205 20 30 HIEDRO COc1ccc2[nH]cc(C3CC[NH+]([C@@H](C)C(=O)Nc4ccccc4C#N)CC3)c2c1 ZINC000142131507 853488345 /nfs/dbraw/zinc/48/83/45/853488345.db2.gz CQAYQQNOROOCJR-INIZCTEOSA-N 1 0 402.498 4.255 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(COCC2CC2)c1 ZINC000195696442 853764440 /nfs/dbraw/zinc/76/44/40/853764440.db2.gz IBGLLENFSJNYJA-UHFFFAOYSA-N 1 0 406.530 4.081 20 30 HIEDRO COc1ccc(OC)c([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)c1 ZINC000216002857 853842333 /nfs/dbraw/zinc/84/23/33/853842333.db2.gz QMRDAVSCLYUYAT-AWEZNQCLSA-N 1 0 413.543 4.195 20 30 HIEDRO CC(=O)Nc1cccc(OCC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c1 ZINC000236629037 853904891 /nfs/dbraw/zinc/90/48/91/853904891.db2.gz ZQPMLTGMRRREJV-UHFFFAOYSA-N 1 0 415.493 4.264 20 30 HIEDRO CC(C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccc2c(c1)OCO2 ZINC000236741760 853918230 /nfs/dbraw/zinc/91/82/30/853918230.db2.gz GOKCZNQVLKOWLN-UHFFFAOYSA-N 1 0 402.498 4.260 20 30 HIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000237209325 853982375 /nfs/dbraw/zinc/98/23/75/853982375.db2.gz VGVJGQHXVVMCEX-OAQYLSRUSA-N 1 0 416.491 4.419 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)ccc1OC ZINC000237350424 854011449 /nfs/dbraw/zinc/01/14/49/854011449.db2.gz TVPQWUDHYHZNQN-LJQANCHMSA-N 1 0 412.530 4.036 20 30 HIEDRO COc1cccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1OC(F)F ZINC000237416006 854027651 /nfs/dbraw/zinc/02/76/51/854027651.db2.gz ZCBNLTNZWKRZTK-MRXNPFEDSA-N 1 0 405.420 4.066 20 30 HIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc1OC ZINC000237454028 854035714 /nfs/dbraw/zinc/03/57/14/854035714.db2.gz KCBWAKIRNXCJLT-NRFANRHFSA-N 1 0 416.949 4.077 20 30 HIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000237577867 854057383 /nfs/dbraw/zinc/05/73/83/854057383.db2.gz ORRQVCJRQJCOOF-RTBURBONSA-N 1 0 406.530 4.085 20 30 HIEDRO N#CCCn1cc(C[NH2+]C[C@@H](c2cccs2)N2CCCC2)c(-c2ccccc2)n1 ZINC000237831065 854105390 /nfs/dbraw/zinc/10/53/90/854105390.db2.gz FIKMABUYRAURQN-NRFANRHFSA-N 1 0 405.571 4.452 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000237862367 854110711 /nfs/dbraw/zinc/11/07/11/854110711.db2.gz HKIIUVJFZYOZBT-SFHVURJKSA-N 1 0 403.448 4.111 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)c1 ZINC000237876211 854112841 /nfs/dbraw/zinc/11/28/41/854112841.db2.gz HZROXBGXVDEFNK-HSZRJFAPSA-N 1 0 413.949 4.186 20 30 HIEDRO Cc1cc(C[N@@H+](C)[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc(C)c1OCC(F)(F)F ZINC000250963058 854196380 /nfs/dbraw/zinc/19/63/80/854196380.db2.gz UILOXIXWIFWOES-OXJNMPFZSA-N 1 0 413.484 4.119 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(c3nnc(-c4ccccc4Cl)s3)CC2)cc1 ZINC000302133015 854535019 /nfs/dbraw/zinc/53/50/19/854535019.db2.gz YWLBYSXKIZINSJ-UHFFFAOYSA-N 1 0 409.946 4.442 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000303302652 854861596 /nfs/dbraw/zinc/86/15/96/854861596.db2.gz CZKDIWSYOPNWSA-QGZVFWFLSA-N 1 0 418.632 4.421 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2ccc(OCC)c(OCC)c2)C(C)C)CC1 ZINC000303303843 854862467 /nfs/dbraw/zinc/86/24/67/854862467.db2.gz NIZUXBIMRAFANI-QFIPXVFZSA-N 1 0 403.567 4.131 20 30 HIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000303661361 855114393 /nfs/dbraw/zinc/11/43/93/855114393.db2.gz VSGZFFIQWVFZHB-XPWALMASSA-N 1 0 410.606 4.217 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000303666402 855118948 /nfs/dbraw/zinc/11/89/48/855118948.db2.gz FIPMTTRXELISJY-NRFANRHFSA-N 1 0 406.530 4.251 20 30 HIEDRO CC1CCC([NH+]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)CC1 ZINC000303730330 855156632 /nfs/dbraw/zinc/15/66/32/855156632.db2.gz URUPEYLKHFOYON-UHFFFAOYSA-N 1 0 414.619 4.023 20 30 HIEDRO CCN(CC)C(=[NH2+])NC[C@H](c1ccc(SC)cc1)N1CCc2sccc2C1 ZINC000303868758 855260602 /nfs/dbraw/zinc/26/06/02/855260602.db2.gz DMXATLZVXIWUSH-LJQANCHMSA-N 1 0 402.633 4.226 20 30 HIEDRO [NH2+]=C(NCc1cccnc1Oc1cccc(F)c1)Nc1ccc2c(c1)OCCCO2 ZINC000303869483 855261594 /nfs/dbraw/zinc/26/15/94/855261594.db2.gz AYCWKKMAZUGZSD-UHFFFAOYSA-N 1 0 408.433 4.101 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)c1 ZINC000303872283 855262204 /nfs/dbraw/zinc/26/22/04/855262204.db2.gz GEARXOZGZFPGIV-HNNXBMFYSA-N 1 0 418.488 4.015 20 30 HIEDRO [NH2+]=C(NCc1cccc(COc2ccccc2)c1)Nc1ccc2c(c1)OCCCO2 ZINC000303893914 855274825 /nfs/dbraw/zinc/27/48/25/855274825.db2.gz SFUHXRPDGYMLLI-UHFFFAOYSA-N 1 0 403.482 4.354 20 30 HIEDRO [NH2+]=C(NCc1cccc(OCC(F)(F)F)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303896433 855275849 /nfs/dbraw/zinc/27/58/49/855275849.db2.gz QACQYTODYNXWSL-UHFFFAOYSA-N 1 0 407.314 4.453 20 30 HIEDRO COc1ccc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)c(OC)c1OC ZINC000303910443 855284380 /nfs/dbraw/zinc/28/43/80/855284380.db2.gz YXCKKCRSTDYEMI-LLVKDONJSA-N 1 0 412.317 4.185 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCc2ccc(OC(C)C)cc2C(F)(F)F)cc1OC ZINC000303975165 855332945 /nfs/dbraw/zinc/33/29/45/855332945.db2.gz IRCLHFCWJVFWDV-UHFFFAOYSA-N 1 0 411.424 4.437 20 30 HIEDRO COc1cccc(N2CC[C@H](CNC(=[NH2+])N[C@H](C)c3ccc(Cl)cc3Cl)C2)c1 ZINC000303985255 855337038 /nfs/dbraw/zinc/33/70/38/855337038.db2.gz STPWGVYFEMMXML-HUUCEWRRSA-N 1 0 421.372 4.494 20 30 HIEDRO [NH2+]=C(NCc1ccc(-c2nc3ccccc3s2)o1)N[C@H]1CCOc2ccccc21 ZINC000304489843 855356303 /nfs/dbraw/zinc/35/63/03/855356303.db2.gz LKBKNTXMJHNICK-INIZCTEOSA-N 1 0 404.495 4.484 20 30 HIEDRO [NH2+]=C(NCc1cccc(NC(=O)C2CCCCC2)c1)N[C@H]1CCOc2ccccc21 ZINC000304512323 855356614 /nfs/dbraw/zinc/35/66/14/855356614.db2.gz UCBYYJKUTDLJDY-NRFANRHFSA-N 1 0 406.530 4.134 20 30 HIEDRO C[C@@H](NC(=[NH2+])NCCc1csc(N2CCCC2)n1)c1ccc(Cl)cc1Cl ZINC000304746075 855357769 /nfs/dbraw/zinc/35/77/69/855357769.db2.gz FNQIAHIIQNCUFK-GFCCVEGCSA-N 1 0 412.390 4.258 20 30 HIEDRO Cc1ccc(CNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)c(OCC(F)(F)F)c1 ZINC000304935866 855359074 /nfs/dbraw/zinc/35/90/74/855359074.db2.gz IOUPQOSCTUILBD-UHFFFAOYSA-N 1 0 409.408 4.024 20 30 HIEDRO [NH2+]=C(NCc1ccc(N2CCCCCC2)nc1)Nc1ccccc1OC(F)(F)F ZINC000305186229 855359717 /nfs/dbraw/zinc/35/97/17/855359717.db2.gz CFPCWEDDJVNNFZ-UHFFFAOYSA-N 1 0 407.440 4.287 20 30 HIEDRO Cc1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c(OC[C@H]2CCOC2)c1 ZINC000305239156 855359761 /nfs/dbraw/zinc/35/97/61/855359761.db2.gz POXJJBCAGMIKLL-HNNXBMFYSA-N 1 0 423.435 4.236 20 30 HIEDRO [NH2+]=C(NCc1ccc(COC2CCOCC2)cc1)Nc1ccccc1OC(F)(F)F ZINC000305207574 855360281 /nfs/dbraw/zinc/36/02/81/855360281.db2.gz NLQQTTSUGAKIEI-UHFFFAOYSA-N 1 0 423.435 4.208 20 30 HIEDRO Cc1c(Cl)cccc1NC(=O)CCNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000305243948 855360912 /nfs/dbraw/zinc/36/09/12/855360912.db2.gz SGOGFZIGIDBPRD-UHFFFAOYSA-N 1 0 414.815 4.302 20 30 HIEDRO Cc1ccccc1C1(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)CCOCC1 ZINC000305251452 855361151 /nfs/dbraw/zinc/36/11/51/855361151.db2.gz VEBSCVUXFNAINC-UHFFFAOYSA-N 1 0 407.436 4.369 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCCc2cccc(OCc3ccccc3)c2)cc1OC ZINC000305689192 855361156 /nfs/dbraw/zinc/36/11/56/855361156.db2.gz BDTQQPZYGLAPTC-UHFFFAOYSA-N 1 0 405.498 4.252 20 30 HIEDRO C=CCC[C@H](CO)[NH2+]Cc1cc(Br)c(OCC)c(Br)c1 ZINC000320187094 855387057 /nfs/dbraw/zinc/38/70/57/855387057.db2.gz APQYPLHEFVKKLN-GFCCVEGCSA-N 1 0 407.146 4.027 20 30 HIEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000390580403 855455899 /nfs/dbraw/zinc/45/58/99/855455899.db2.gz ZCXNHUMGALPJCJ-OAQYLSRUSA-N 1 0 413.359 4.215 20 30 HIEDRO N#Cc1cccc(-n2ccc(C(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)n2)c1 ZINC000409608927 855562803 /nfs/dbraw/zinc/56/28/03/855562803.db2.gz SQDNAFYHTUVEEM-UHFFFAOYSA-N 1 0 413.525 4.050 20 30 HIEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccc(C(C)(C)C#N)cc3)cc2)C[C@@H](C)O1 ZINC000410366294 855954222 /nfs/dbraw/zinc/95/42/22/855954222.db2.gz POFJLDAWJWIENM-RTBURBONSA-N 1 0 420.557 4.419 20 30 HIEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Nc3ccc(C#N)c(Cl)c3)cc2)C[C@H](C)O1 ZINC000410370472 855957165 /nfs/dbraw/zinc/95/71/65/855957165.db2.gz CYDGAKAUTHBSMQ-IYBDPMFKSA-N 1 0 412.921 4.143 20 30 HIEDRO N#CC1(NC(=O)C[NH2+][C@@H](CC2CC2)c2cc(F)cc(Br)c2)CCCCC1 ZINC000425920683 855999673 /nfs/dbraw/zinc/99/96/73/855999673.db2.gz OZGMBXMFIVMQME-SFHVURJKSA-N 1 0 422.342 4.362 20 30 HIEDRO CC[N@H+](CCNC(=O)NCc1ccc(-c2ccccc2C#N)cc1)CCC(F)(F)F ZINC000425964906 856020565 /nfs/dbraw/zinc/02/05/65/856020565.db2.gz RUCMOVJTBWJSLV-UHFFFAOYSA-N 1 0 418.463 4.299 20 30 HIEDRO COCC[N@H+](C)CC[C@@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000426140876 856134486 /nfs/dbraw/zinc/13/44/86/856134486.db2.gz QNJJOMCKYBUJBR-LJQANCHMSA-N 1 0 400.910 4.043 20 30 HIEDRO O=C(NCc1ccccc1)C1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426366423 856260534 /nfs/dbraw/zinc/26/05/34/856260534.db2.gz QMCXDRCLMXFPGW-UHFFFAOYSA-N 1 0 400.444 4.085 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2cccc(-c3cccnc3)c2)C2CC2)CC1 ZINC000426376461 856263932 /nfs/dbraw/zinc/26/39/32/856263932.db2.gz DZFQBHWSPNUSDS-UHFFFAOYSA-N 1 0 404.558 4.463 20 30 HIEDRO Cc1csc(Sc2ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc2)n1 ZINC000426584286 856360092 /nfs/dbraw/zinc/36/00/92/856360092.db2.gz PBTBCTLQPGNZCZ-UHFFFAOYSA-N 1 0 403.577 4.302 20 30 HIEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)C[C@H]3CCCOC3)sc2C1 ZINC000427009088 856593114 /nfs/dbraw/zinc/59/31/14/856593114.db2.gz PEWFOCUQQCZXEY-SJORKVTESA-N 1 0 417.619 4.458 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000427118849 856649213 /nfs/dbraw/zinc/64/92/13/856649213.db2.gz BXXATRNDEGVYEP-INIZCTEOSA-N 1 0 401.536 4.254 20 30 HIEDRO COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000428746796 857316417 /nfs/dbraw/zinc/31/64/17/857316417.db2.gz IMKKHANHDDULKQ-RPWUZVMVSA-N 1 0 404.510 4.015 20 30 HIEDRO C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428794960 857343943 /nfs/dbraw/zinc/34/39/43/857343943.db2.gz PCZZAQBTTNQTLX-WZONZLPQSA-N 1 0 412.493 4.420 20 30 HIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000428911329 857408939 /nfs/dbraw/zinc/40/89/39/857408939.db2.gz JIBJYZKFEPXQQR-DENIHFKCSA-N 1 0 413.525 4.029 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)[C@@H]2OCCc3sccc32)ccc1Cl ZINC000429157386 857535623 /nfs/dbraw/zinc/53/56/23/857535623.db2.gz VCPPPTXNVABTRA-VFNWGFHPSA-N 1 0 417.962 4.249 20 30 HIEDRO C[C@@H]1C[N@@H+](CCC2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)C[C@H](C)O1 ZINC000429255102 857576793 /nfs/dbraw/zinc/57/67/93/857576793.db2.gz OYERJXGLSCWPCK-KDURUIRLSA-N 1 0 412.578 4.231 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429289010 857591608 /nfs/dbraw/zinc/59/16/08/857591608.db2.gz BONBYUGAUIJKQV-ROOHIHILSA-N 1 0 406.368 4.105 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)c1cccc(O)c1 ZINC000429322633 857603850 /nfs/dbraw/zinc/60/38/50/857603850.db2.gz NGVHMSWQYGPKMF-QGZVFWFLSA-N 1 0 414.509 4.223 20 30 HIEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)nc1 ZINC000430185121 858071042 /nfs/dbraw/zinc/07/10/42/858071042.db2.gz IKAXQKKGKMWUIF-MRXNPFEDSA-N 1 0 406.467 4.243 20 30 HIEDRO C[C@H]1C[C@@H](N(C)Cc2nnc(-c3cccc(C#N)c3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000430826260 858319013 /nfs/dbraw/zinc/31/90/13/858319013.db2.gz VERGXHWIGUZEPF-AVRDEDQJSA-N 1 0 401.514 4.093 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)sc2c1CCC2 ZINC000430958735 858383185 /nfs/dbraw/zinc/38/31/85/858383185.db2.gz ZGKWHYNKUYRWOK-LJQANCHMSA-N 1 0 423.582 4.161 20 30 HIEDRO C[C@@H]1C[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000431209112 858504125 /nfs/dbraw/zinc/50/41/25/858504125.db2.gz PYVGYWOEICSXOC-CRAIPNDOSA-N 1 0 414.456 4.334 20 30 HIEDRO C=CCN1C(=O)N(C2CC[NH+]([C@@H](C)c3ccccc3)CC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431408731 858600862 /nfs/dbraw/zinc/60/08/62/858600862.db2.gz WLZZPCRENMJQTK-RDPSFJRHSA-N 1 0 417.553 4.274 20 30 HIEDRO N#CCCC[C@@H](NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000431935161 858877267 /nfs/dbraw/zinc/87/72/67/858877267.db2.gz GFYDQZSQFKIFDZ-ISKFKSNPSA-N 1 0 404.558 4.285 20 30 HIEDRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)c(OC)c1 ZINC000433010766 859476221 /nfs/dbraw/zinc/47/62/21/859476221.db2.gz LRPBXXMFWYHCMY-XZOQPEGZSA-N 1 0 421.541 4.392 20 30 HIEDRO Cc1cc(NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)n(-c2ccc(C)cc2)n1 ZINC000433017470 859481133 /nfs/dbraw/zinc/48/11/33/859481133.db2.gz CHTDQRVAYXBSSF-JOCHJYFZSA-N 1 0 401.514 4.452 20 30 HIEDRO N#CCCC[C@@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccccc1 ZINC000433027769 859488213 /nfs/dbraw/zinc/48/82/13/859488213.db2.gz MPQWZEQIBWYFOJ-GOSISDBHSA-N 1 0 413.905 4.465 20 30 HIEDRO C[N@H+](CCSCC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccccc1 ZINC000433032455 859491158 /nfs/dbraw/zinc/49/11/58/859491158.db2.gz MDPAWIVPATWSHC-UHFFFAOYSA-N 1 0 401.963 4.452 20 30 HIEDRO N#CCCn1cc(C[NH2+]CC2(CO)CC(c3ccccc3)C2)c(-c2ccccc2)n1 ZINC000433207012 859566979 /nfs/dbraw/zinc/56/69/79/859566979.db2.gz PINCSHJEUISSIP-UHFFFAOYSA-N 1 0 400.526 4.110 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccccc2OC(F)(F)F)c(-c2ccncc2)n1 ZINC000433316604 859635415 /nfs/dbraw/zinc/63/54/15/859635415.db2.gz IZERCLMVIAGHAQ-UHFFFAOYSA-N 1 0 401.392 4.047 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCOc2ccccc2C(F)(F)F)c(-c2ccncc2)n1 ZINC000433320527 859639011 /nfs/dbraw/zinc/63/90/11/859639011.db2.gz SHZYMKGDDBMGAJ-UHFFFAOYSA-N 1 0 415.419 4.046 20 30 HIEDRO N#CCCn1cc(C[NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(-c2ccncc2)n1 ZINC000433339445 859653767 /nfs/dbraw/zinc/65/37/67/859653767.db2.gz LIIWKPPNRPNQEO-VXKWHMMOSA-N 1 0 405.477 4.008 20 30 HIEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000433816733 859910609 /nfs/dbraw/zinc/91/06/09/859910609.db2.gz YVJIURHFVGSDER-UHFFFAOYSA-N 1 0 401.477 4.243 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000467708882 881507408 /nfs/dbraw/zinc/50/74/08/881507408.db2.gz MLCJIVCDXSDCGC-RTWAWAEBSA-N 1 0 404.514 4.146 20 30 HIEDRO COC(=O)[C@@H](NCc1ccccc1C[N@H+](C)C1CCCCC1)c1cccc(C#N)c1 ZINC000434856592 860525546 /nfs/dbraw/zinc/52/55/46/860525546.db2.gz CUZUQKZRLJKLQA-DEOSSOPVSA-N 1 0 405.542 4.327 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c(-c2ccncc2)n1 ZINC000435055652 860618128 /nfs/dbraw/zinc/61/81/28/860618128.db2.gz ISYNWZDZJDGHNN-UHFFFAOYSA-N 1 0 417.488 4.093 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)c(-c2ccncc2)n1 ZINC000435127916 860653719 /nfs/dbraw/zinc/65/37/19/860653719.db2.gz FOADBAAJXRFGHQ-UHFFFAOYSA-N 1 0 423.467 4.180 20 30 HIEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1cccc(OC(F)(F)F)c1 ZINC000435132678 860656834 /nfs/dbraw/zinc/65/68/34/860656834.db2.gz KMKDEHYTYJWYPC-UHFFFAOYSA-N 1 0 415.419 4.389 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000435553277 860870277 /nfs/dbraw/zinc/87/02/77/860870277.db2.gz CTUZBDVVORIDLU-FQEVSTJZSA-N 1 0 406.530 4.331 20 30 HIEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000435665020 860943588 /nfs/dbraw/zinc/94/35/88/860943588.db2.gz OOEWQVNNWUDFGK-UHFFFAOYSA-N 1 0 418.566 4.468 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000435737327 861019015 /nfs/dbraw/zinc/01/90/15/861019015.db2.gz HBZWZZNVZUYZGM-XXBNENTESA-N 1 0 412.486 4.253 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000435739440 861020279 /nfs/dbraw/zinc/02/02/79/861020279.db2.gz GFUHNJDXVBOWNE-UZLBHIALSA-N 1 0 404.352 4.322 20 30 HIEDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC[N@@H+]1C ZINC000437981693 863346572 /nfs/dbraw/zinc/34/65/72/863346572.db2.gz BBZLLRGINUJWNZ-JXFKEZNVSA-N 1 0 410.493 4.223 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000438060849 863431525 /nfs/dbraw/zinc/43/15/25/863431525.db2.gz RXDJHHCNFSKDGT-KRWDZBQOSA-N 1 0 408.571 4.159 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000438180357 863604878 /nfs/dbraw/zinc/60/48/78/863604878.db2.gz CBMQLVAIHQZHKW-GOSISDBHSA-N 1 0 408.502 4.165 20 30 HIEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000438445966 863871724 /nfs/dbraw/zinc/87/17/24/863871724.db2.gz DKROZNZHFHAUHC-LOSJGSFVSA-N 1 0 421.585 4.311 20 30 HIEDRO COc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1Br ZINC000438463874 863886319 /nfs/dbraw/zinc/88/63/19/863886319.db2.gz DVROJRINWHSVRM-UHFFFAOYSA-N 1 0 416.319 4.204 20 30 HIEDRO COc1cc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c(SC)cc1OC ZINC000438472766 863891684 /nfs/dbraw/zinc/89/16/84/863891684.db2.gz QKPPOHNBMVYKGO-UHFFFAOYSA-N 1 0 413.543 4.172 20 30 HIEDRO C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000438652276 864094412 /nfs/dbraw/zinc/09/44/12/864094412.db2.gz AQZWLUUWMQEBET-GOSISDBHSA-N 1 0 407.514 4.061 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(C#N)cc1Cl ZINC000438895731 864377542 /nfs/dbraw/zinc/37/75/42/864377542.db2.gz QAGZRGDJQYCTHI-UHFFFAOYSA-N 1 0 401.967 4.310 20 30 HIEDRO CC[C@](C)(O)C[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccc1 ZINC000439258451 864675038 /nfs/dbraw/zinc/67/50/38/864675038.db2.gz IIANARXLCPKXOL-VWLOTQADSA-N 1 0 403.526 4.401 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)[C@H]3CC[C@H](O)CC3)sc2C1 ZINC000439303128 864731147 /nfs/dbraw/zinc/73/11/47/864731147.db2.gz OTIUJVSMUYRZDW-BRWVUGGUSA-N 1 0 417.619 4.335 20 30 HIEDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000439352273 864794604 /nfs/dbraw/zinc/79/46/04/864794604.db2.gz FYRJNQQUJXKZIF-UHFFFAOYSA-N 1 0 406.530 4.281 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+]CC1(c2ccccc2)CCCC1 ZINC000439558018 864883707 /nfs/dbraw/zinc/88/37/07/864883707.db2.gz QLSWFBFBNPJMDQ-FQEVSTJZSA-N 1 0 405.542 4.432 20 30 HIEDRO C[C@H]([NH2+]CC1(c2cccc(Br)c2)CCCCC1)C(=O)N(C)CCC#N ZINC000439657616 864984741 /nfs/dbraw/zinc/98/47/41/864984741.db2.gz FHHODRRSXZNZGM-INIZCTEOSA-N 1 0 406.368 4.001 20 30 HIEDRO CCCc1c(NC(=O)NCc2cccc(C[NH+](C)C)c2)cnn1-c1cccc(C#N)c1 ZINC000439666148 864995606 /nfs/dbraw/zinc/99/56/06/864995606.db2.gz URTFTRLJFRQWKZ-UHFFFAOYSA-N 1 0 416.529 4.080 20 30 HIEDRO COc1ccccc1[C@@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)[NH+]1CCCC1 ZINC000440206486 865439418 /nfs/dbraw/zinc/43/94/18/865439418.db2.gz IIJOVIJPTXVUAJ-FCHUYYIVSA-N 1 0 406.530 4.176 20 30 HIEDRO COc1cc(C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)ccc1C#N ZINC000440830266 865944997 /nfs/dbraw/zinc/94/49/97/865944997.db2.gz KQDONDITVDOTRP-IBGZPJMESA-N 1 0 417.431 4.039 20 30 HIEDRO CS[C@H]1CCCC[N@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000441133981 866226391 /nfs/dbraw/zinc/22/63/91/866226391.db2.gz IIGLHUXVOFCDHB-IBGZPJMESA-N 1 0 414.575 4.164 20 30 HIEDRO COc1ccc2[nH]cc(C3CC[NH+](Cc4nnc(-c5cccc(C#N)c5)o4)CC3)c2c1 ZINC000441220414 866296727 /nfs/dbraw/zinc/29/67/27/866296727.db2.gz ABXAIGYLFNUBJO-UHFFFAOYSA-N 1 0 413.481 4.478 20 30 HIEDRO Cc1nc(-c2ccc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)cc2)cs1 ZINC000441288997 866362636 /nfs/dbraw/zinc/36/26/36/866362636.db2.gz MGGNASWSWVZBEF-UHFFFAOYSA-N 1 0 416.550 4.407 20 30 HIEDRO N#Cc1cccc(-c2nnc(CN(CCCO)Cc3ccc(Cl)c(Cl)c3)o2)c1 ZINC000441400606 866475769 /nfs/dbraw/zinc/47/57/69/866475769.db2.gz WUXWEQGZXSRZDR-UHFFFAOYSA-N 1 0 417.296 4.300 20 30 HIEDRO N#Cc1cc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)ccc1OC(F)(F)F ZINC000441521854 866597293 /nfs/dbraw/zinc/59/72/93/866597293.db2.gz IMAVCRQXIIYWKD-UHFFFAOYSA-N 1 0 421.444 4.258 20 30 HIEDRO C[C@H]1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000441623463 866723189 /nfs/dbraw/zinc/72/31/89/866723189.db2.gz UEPPMVMLAQFTNQ-FQEVSTJZSA-N 1 0 424.976 4.183 20 30 HIEDRO CC[C@H]1CCc2nc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)sc2C1 ZINC000441946410 867010463 /nfs/dbraw/zinc/01/04/63/867010463.db2.gz MTTVIGCIHUJUQJ-INIZCTEOSA-N 1 0 411.575 4.125 20 30 HIEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@@H]1c1ccccc1 ZINC000442182753 867205311 /nfs/dbraw/zinc/20/53/11/867205311.db2.gz RIONHRLWOGFNPG-AEFFLSMTSA-N 1 0 404.392 4.024 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442192015 867214463 /nfs/dbraw/zinc/21/44/63/867214463.db2.gz IEMDGMWJONFKKM-UHFFFAOYSA-N 1 0 424.398 4.192 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)s1 ZINC000442715350 867644548 /nfs/dbraw/zinc/64/45/48/867644548.db2.gz BKEVAJXRHJCXKU-IUODEOHRSA-N 1 0 404.333 4.228 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)s1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000443338009 867913012 /nfs/dbraw/zinc/91/30/12/867913012.db2.gz YGCKBLQOBFHPNE-OOWFEOPPSA-N 1 0 412.397 4.481 20 30 HIEDRO C[C@@H]1C[NH+](CCCCNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H](C)O1 ZINC000443661042 868267104 /nfs/dbraw/zinc/26/71/04/868267104.db2.gz ZZGUNGFSLPRCGQ-WOJBJXKFSA-N 1 0 421.541 4.164 20 30 HIEDRO N#CCCCn1cc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21 ZINC000444038780 868576296 /nfs/dbraw/zinc/57/62/96/868576296.db2.gz JNGSYQJPNHYEIF-UHFFFAOYSA-N 1 0 418.516 4.479 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000444204406 868664961 /nfs/dbraw/zinc/66/49/61/868664961.db2.gz IGHBZLJKJLWLCN-MJGOQNOKSA-N 1 0 401.576 4.443 20 30 HIEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444376465 868800300 /nfs/dbraw/zinc/80/03/00/868800300.db2.gz NOZWXGFEXLLHQR-RDPSFJRHSA-N 1 0 415.541 4.105 20 30 HIEDRO CCCOc1cc(C)ccc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000445856889 869859952 /nfs/dbraw/zinc/85/99/52/869859952.db2.gz IPCNJAKXOCBVHQ-UHFFFAOYSA-N 1 0 420.557 4.073 20 30 HIEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445881874 869870570 /nfs/dbraw/zinc/87/05/70/869870570.db2.gz WTTXVJAFCWQWQH-QGZVFWFLSA-N 1 0 417.303 4.164 20 30 HIEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000445988648 869952591 /nfs/dbraw/zinc/95/25/91/869952591.db2.gz PJMANGKWPWCFSA-NRSPTQNISA-N 1 0 404.432 4.243 20 30 HIEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC000446004736 869969393 /nfs/dbraw/zinc/96/93/93/869969393.db2.gz WIBOWFLKYJEEJL-BSIFCXSSSA-N 1 0 404.432 4.243 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)cc1 ZINC000446146880 870088599 /nfs/dbraw/zinc/08/85/99/870088599.db2.gz MEPTUMBWKJVZJW-UHFFFAOYSA-N 1 0 418.497 4.227 20 30 HIEDRO N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2)cc1 ZINC000448196688 872083280 /nfs/dbraw/zinc/08/32/80/872083280.db2.gz AIKDTYVKYLNSRX-HYBUGGRVSA-N 1 0 401.510 4.439 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000448290836 872220935 /nfs/dbraw/zinc/22/09/35/872220935.db2.gz SVTAIAQFVGFWND-UHFFFAOYSA-N 1 0 407.440 4.053 20 30 HIEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000448314600 872251041 /nfs/dbraw/zinc/25/10/41/872251041.db2.gz PTLRWIFITMJWJW-OAQYLSRUSA-N 1 0 405.542 4.235 20 30 HIEDRO C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460372488 873009396 /nfs/dbraw/zinc/00/93/96/873009396.db2.gz DUYQYYACUMYENF-MOPGFXCFSA-N 1 0 404.562 4.076 20 30 HIEDRO C=C(C)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460538978 873239256 /nfs/dbraw/zinc/23/92/56/873239256.db2.gz LGPRJJSXFXRSMW-FPOVZHCZSA-N 1 0 409.578 4.059 20 30 HIEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460571059 873303429 /nfs/dbraw/zinc/30/34/29/873303429.db2.gz GVRFUQMEERCPLM-QFIPXVFZSA-N 1 0 409.578 4.026 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460764997 873606406 /nfs/dbraw/zinc/60/64/06/873606406.db2.gz ADTZJCRAYAAHQG-LPHOPBHVSA-N 1 0 417.985 4.350 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460803828 873676525 /nfs/dbraw/zinc/67/65/25/873676525.db2.gz HGHFQSVBJQICQE-ACRUOGEOSA-N 1 0 415.626 4.228 20 30 HIEDRO C=C(C)Cn1c(COc2ccccc2-c2ccccc2)nnc1N1CC[NH+](CC)CC1 ZINC000460934744 873835738 /nfs/dbraw/zinc/83/57/38/873835738.db2.gz MQYQEDJHGKYKKQ-UHFFFAOYSA-N 1 0 417.557 4.242 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460947714 873845706 /nfs/dbraw/zinc/84/57/06/873845706.db2.gz HQRBJKSCTDUNAN-WSTZPKSXSA-N 1 0 415.557 4.442 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460948718 873846651 /nfs/dbraw/zinc/84/66/51/873846651.db2.gz XCDNNWPDZMGCAC-XBYSBRQOSA-N 1 0 421.589 4.162 20 30 HIEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C[C@@H]1C ZINC000461315691 874323663 /nfs/dbraw/zinc/32/36/63/874323663.db2.gz CZWDJUUGYNJWFB-FXAWDEMLSA-N 1 0 420.586 4.236 20 30 HIEDRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3ccccc3SC[C@H](C)C#N)CC2)c1 ZINC000468768180 882850519 /nfs/dbraw/zinc/85/05/19/882850519.db2.gz ARNSKNXIGNIFCJ-HXUWFJFHSA-N 1 0 422.598 4.398 20 30 HIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000468836141 882883023 /nfs/dbraw/zinc/88/30/23/882883023.db2.gz GAYHQIDWLXTJEB-XLIONFOSSA-N 1 0 407.539 4.423 20 30 HIEDRO Cc1[nH+]c2ccc(Br)cc2c(N2CCN(c3ncccc3C#N)CC2)c1C ZINC000462082733 875192354 /nfs/dbraw/zinc/19/23/54/875192354.db2.gz DJKMLZDOCUGHEO-UHFFFAOYSA-N 1 0 422.330 4.207 20 30 HIEDRO C=CCOc1cccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c1 ZINC000462733735 875807613 /nfs/dbraw/zinc/80/76/13/875807613.db2.gz GGIJWSNRNOGLQX-HXUWFJFHSA-N 1 0 402.441 4.138 20 30 HIEDRO Cc1[nH+]c2ccc(Br)cc2c(N2CCN(c3ccc(C#N)cn3)CC2)c1C ZINC000462792952 875843095 /nfs/dbraw/zinc/84/30/95/875843095.db2.gz YDCABQJZWBVCSC-UHFFFAOYSA-N 1 0 422.330 4.207 20 30 HIEDRO COc1ccc2c(c1)C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@H](c1ccccc1)C2 ZINC000468916421 882975975 /nfs/dbraw/zinc/97/59/75/882975975.db2.gz JIFCYLKNVIFXBJ-OZXSUGGESA-N 1 0 414.505 4.106 20 30 HIEDRO C[C@H]1C[C@@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000468940566 883006432 /nfs/dbraw/zinc/00/64/32/883006432.db2.gz JPJRMCMEJPIUOW-WMZHIEFXSA-N 1 0 402.542 4.344 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@H]2O)c1C ZINC000463195174 876254123 /nfs/dbraw/zinc/25/41/23/876254123.db2.gz VUCFLCSLHYDWHO-XVFIICMOSA-N 1 0 411.590 4.202 20 30 HIEDRO COc1ccccc1[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)OC(C)C ZINC000463272670 876330923 /nfs/dbraw/zinc/33/09/23/876330923.db2.gz SFTYDCRPRWYBDU-VWLOTQADSA-N 1 0 407.558 4.287 20 30 HIEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000468967793 883033408 /nfs/dbraw/zinc/03/34/08/883033408.db2.gz KNCYPLOLRQQVCV-QGZVFWFLSA-N 1 0 400.482 4.169 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)sc2c1CCCCC2 ZINC000463427097 876481787 /nfs/dbraw/zinc/48/17/87/876481787.db2.gz AMOWOUIXBBQRKK-UHFFFAOYSA-N 1 0 421.566 4.470 20 30 HIEDRO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cc2)CC1 ZINC000468968996 883035635 /nfs/dbraw/zinc/03/56/35/883035635.db2.gz MSBPTOCORJMFGF-FQEVSTJZSA-N 1 0 417.340 4.130 20 30 HIEDRO C[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F)c1cccc(C#N)c1 ZINC000463585658 876690139 /nfs/dbraw/zinc/69/01/39/876690139.db2.gz IMJQQYWKIZOXJQ-HNNXBMFYSA-N 1 0 416.447 4.071 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464839325 878101710 /nfs/dbraw/zinc/10/17/10/878101710.db2.gz PUMJGLVMTCNBRV-MSOLQXFVSA-N 1 0 422.598 4.032 20 30 HIEDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCCCOc1cccc(C#N)c1 ZINC000464982439 878329187 /nfs/dbraw/zinc/32/91/87/878329187.db2.gz ZNNOQLWLSSTEOL-QHCPKHFHSA-N 1 0 405.542 4.088 20 30 HIEDRO Cc1nc(SCC(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c(C#N)c(C)c1C ZINC000465137472 878518003 /nfs/dbraw/zinc/51/80/03/878518003.db2.gz IGPIZOALGIFACY-UHFFFAOYSA-N 1 0 421.570 4.126 20 30 HIEDRO N#Cc1ccccc1CSCCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503399473 912378746 /nfs/dbraw/zinc/37/87/46/912378746.db2.gz MAFLSRRLKNPSAE-HXUWFJFHSA-N 1 0 414.619 4.089 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(Oc2ccc(F)cc2F)CC1)C(C)C ZINC000503406306 912384549 /nfs/dbraw/zinc/38/45/49/912384549.db2.gz NDPIWDCLYVLKGM-NRFANRHFSA-N 1 0 421.532 4.216 20 30 HIEDRO CC[C@H](C)Oc1cc(C)ccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000465366024 878806755 /nfs/dbraw/zinc/80/67/55/878806755.db2.gz BNJRDMUGYMVWLV-FQEVSTJZSA-N 1 0 422.573 4.317 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CC(c3nc4ccccc4s3)C1)CCC2 ZINC000465409631 878844762 /nfs/dbraw/zinc/84/47/62/878844762.db2.gz ZIECXWGBYNUNIN-UHFFFAOYSA-N 1 0 408.552 4.146 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000465645574 879164664 /nfs/dbraw/zinc/16/46/64/879164664.db2.gz IQWFDMNPJLDMTN-DNQXCXABSA-N 1 0 420.532 4.271 20 30 HIEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503438206 912448925 /nfs/dbraw/zinc/44/89/25/912448925.db2.gz SUUBWXFICIIYEW-APWZRJJASA-N 1 0 417.962 4.058 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(Oc3ccccc3F)c(F)c2)CC1 ZINC000465856200 879502965 /nfs/dbraw/zinc/50/29/65/879502965.db2.gz FGIVNBWRGVUSBO-UHFFFAOYSA-N 1 0 401.457 4.207 20 30 HIEDRO CCOCCOc1ccc(Br)cc1C[NH2+]CCc1cccc(C#N)c1 ZINC000466422183 880195370 /nfs/dbraw/zinc/19/53/70/880195370.db2.gz QPWVLGGJMCQGJC-UHFFFAOYSA-N 1 0 403.320 4.068 20 30 HIEDRO COc1cc(C[NH2+]CCc2cccc(C#N)c2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000466423125 880196908 /nfs/dbraw/zinc/19/69/08/880196908.db2.gz BQFAIYLWJGSQDM-UHFFFAOYSA-N 1 0 417.465 4.386 20 30 HIEDRO COc1ccc(C2CC[NH+](CC(=O)N(CCC#N)c3cccc(C)c3C)CC2)cc1 ZINC000466715786 880505594 /nfs/dbraw/zinc/50/55/94/880505594.db2.gz CORMLJXWCJMJSA-UHFFFAOYSA-N 1 0 405.542 4.438 20 30 HIEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000503558231 912630229 /nfs/dbraw/zinc/63/02/29/912630229.db2.gz PCSPGJGGOSFJQE-QHCPKHFHSA-N 1 0 411.509 4.224 20 30 HIEDRO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 ZINC000467274517 881019303 /nfs/dbraw/zinc/01/93/03/881019303.db2.gz HIXREUASYFPCIZ-HNNXBMFYSA-N 1 0 400.400 4.270 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 ZINC000469119500 883213392 /nfs/dbraw/zinc/21/33/92/883213392.db2.gz VOWZBMMKHWLUKV-XRODLIKFSA-N 1 0 423.507 4.450 20 30 HIEDRO N#CCCCN1C(=O)CCc2cc(NC3CC[NH+](CCc4ccccc4)CC3)ccc21 ZINC000469150538 883246275 /nfs/dbraw/zinc/24/62/75/883246275.db2.gz CQMHRTJNYRXUFJ-UHFFFAOYSA-N 1 0 416.569 4.389 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000469181764 883282610 /nfs/dbraw/zinc/28/26/10/883282610.db2.gz IIXRPYNVYIMUQV-LJQANCHMSA-N 1 0 408.571 4.089 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H]1c1cccs1 ZINC000469208968 883309759 /nfs/dbraw/zinc/30/97/59/883309759.db2.gz CODWLMLHSVDLJH-LAUBAEHRSA-N 1 0 406.511 4.088 20 30 HIEDRO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000469217559 883318108 /nfs/dbraw/zinc/31/81/08/883318108.db2.gz IKZJUOYCMAHVNG-CHWSQXEVSA-N 1 0 402.292 4.007 20 30 HIEDRO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)cc2)CC1 ZINC000469313722 883415708 /nfs/dbraw/zinc/41/57/08/883415708.db2.gz ZZDGDPVJXDJKGM-QHCPKHFHSA-N 1 0 404.558 4.121 20 30 HIEDRO C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(OCC[NH+](C)C)cc1 ZINC000469338845 883451792 /nfs/dbraw/zinc/45/17/92/883451792.db2.gz XRBKMEPPCHKZGL-LJQANCHMSA-N 1 0 420.557 4.383 20 30 HIEDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000470182438 884471754 /nfs/dbraw/zinc/47/17/54/884471754.db2.gz GZLZWCDHCYSQNU-ATVHPVEESA-N 1 0 404.470 4.220 20 30 HIEDRO Cc1coc(-c2ccc(C)c(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c2)n1 ZINC000470290236 884663556 /nfs/dbraw/zinc/66/35/56/884663556.db2.gz VFQLMQALDIVFEF-UHFFFAOYSA-N 1 0 417.513 4.426 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000503984919 912896845 /nfs/dbraw/zinc/89/68/45/912896845.db2.gz GKGPZTOCOVBUIP-HXUWFJFHSA-N 1 0 412.534 4.008 20 30 HIEDRO COc1cc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)ccc1O ZINC000471149371 885695709 /nfs/dbraw/zinc/69/57/09/885695709.db2.gz UVHPSHDCCVXBAV-UHFFFAOYSA-N 1 0 413.543 4.063 20 30 HIEDRO CC(C)(C#N)c1ccc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1 ZINC000471176831 885741332 /nfs/dbraw/zinc/74/13/32/885741332.db2.gz KLPPVZVAFQQZGZ-UHFFFAOYSA-N 1 0 408.468 4.415 20 30 HIEDRO C[C@@H](CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[N@H+](C)Cc1ccccc1 ZINC000471465289 886150747 /nfs/dbraw/zinc/15/07/47/886150747.db2.gz AGDIFTLUTLXGOR-IBGZPJMESA-N 1 0 417.509 4.371 20 30 HIEDRO Cc1ccc(OCCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000471666276 886378881 /nfs/dbraw/zinc/37/88/81/886378881.db2.gz VOSVGGQOZICCEY-UHFFFAOYSA-N 1 0 405.542 4.069 20 30 HIEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2)C1 ZINC000471748380 886476956 /nfs/dbraw/zinc/47/69/56/886476956.db2.gz JNNNGSXKMTXFIH-OHUGHZGNSA-N 1 0 414.553 4.035 20 30 HIEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2)C1 ZINC000471748379 886477312 /nfs/dbraw/zinc/47/73/12/886477312.db2.gz JNNNGSXKMTXFIH-FHAGJXEFSA-N 1 0 414.553 4.035 20 30 HIEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)cc2)C1 ZINC000471748381 886477692 /nfs/dbraw/zinc/47/76/92/886477692.db2.gz JNNNGSXKMTXFIH-UMEGOILYSA-N 1 0 414.553 4.035 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000471825523 886575009 /nfs/dbraw/zinc/57/50/09/886575009.db2.gz KIXSLDWQRPPKLH-UHFFFAOYSA-N 1 0 409.839 4.434 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000471829400 886579523 /nfs/dbraw/zinc/57/95/23/886579523.db2.gz BTDYHUHJJQDUDF-UHFFFAOYSA-N 1 0 417.475 4.490 20 30 HIEDRO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000472186010 886986108 /nfs/dbraw/zinc/98/61/08/886986108.db2.gz FHMMXPLFEAPJGS-XMMPIXPASA-N 1 0 407.558 4.065 20 30 HIEDRO CN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472479804 887342377 /nfs/dbraw/zinc/34/23/77/887342377.db2.gz QDWAGGFLFYDNBL-JOCHJYFZSA-N 1 0 414.553 4.334 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000504359275 913191957 /nfs/dbraw/zinc/19/19/57/913191957.db2.gz UVDJQZKOEULCBH-UHFFFAOYSA-N 1 0 421.541 4.247 20 30 HIEDRO OC1(Cc2cccc(F)c2)CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000473438672 888158648 /nfs/dbraw/zinc/15/86/48/888158648.db2.gz DCUBKFNBBQFVQE-UHFFFAOYSA-N 1 0 407.407 4.145 20 30 HIEDRO N#Cc1cccc(OCCCCC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)c1 ZINC000473526280 888264132 /nfs/dbraw/zinc/26/41/32/888264132.db2.gz YGYBJOCANHUJFX-UHFFFAOYSA-N 1 0 423.479 4.029 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473619049 888358434 /nfs/dbraw/zinc/35/84/34/888358434.db2.gz BWUCGPPHCKEMFY-VWLOTQADSA-N 1 0 418.541 4.477 20 30 HIEDRO C[N@@H+]1CC[C@@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000474148064 888976102 /nfs/dbraw/zinc/97/61/02/888976102.db2.gz UUVXHCKUXLPMOL-UWJYYQICSA-N 1 0 411.908 4.192 20 30 HIEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)c3ccc(C(C)(C)C#N)cc3)cc2)C[C@@H](C)O1 ZINC000474775973 889633800 /nfs/dbraw/zinc/63/38/00/889633800.db2.gz PWLRSTCSOKJZLW-RTBURBONSA-N 1 0 405.542 4.027 20 30 HIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(Br)cn2)cc1OCCCC#N ZINC000475505436 890419446 /nfs/dbraw/zinc/41/94/46/890419446.db2.gz BVVPTZLSUOFDMN-CQSZACIVSA-N 1 0 404.308 4.386 20 30 HIEDRO C=CCc1cc(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc(OC)c1OC ZINC000475886069 890819973 /nfs/dbraw/zinc/81/99/73/890819973.db2.gz DSWVXOIKUBHFSG-UHFFFAOYSA-N 1 0 415.578 4.029 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1C ZINC000476206921 891138638 /nfs/dbraw/zinc/13/86/38/891138638.db2.gz NHDMETGDXFMRFZ-FQEVSTJZSA-N 1 0 407.562 4.075 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2OC)cc1 ZINC000476266445 891187554 /nfs/dbraw/zinc/18/75/54/891187554.db2.gz WYFXJYWDCHOJIC-JOCHJYFZSA-N 1 0 421.541 4.048 20 30 HIEDRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000476994576 891921997 /nfs/dbraw/zinc/92/19/97/891921997.db2.gz KNLAIZMWAALBHY-IRXDYDNUSA-N 1 0 421.932 4.460 20 30 HIEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000477302736 892263691 /nfs/dbraw/zinc/26/36/91/892263691.db2.gz CAYXMHBLRCIFHG-HXUWFJFHSA-N 1 0 400.444 4.085 20 30 HIEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+]C2(c3ccccc3)CC2)c1C#N ZINC000477389180 892346314 /nfs/dbraw/zinc/34/63/14/892346314.db2.gz FAPNGMZUSDBKEN-UHFFFAOYSA-N 1 0 416.500 4.381 20 30 HIEDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1[N+](=O)[O-] ZINC000504927599 913665412 /nfs/dbraw/zinc/66/54/12/913665412.db2.gz RJJXFDRGRQQBRY-QAPCUYQASA-N 1 0 412.465 4.324 20 30 HIEDRO N#Cc1cccc(OCCC[N@H+]2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000477767487 892854514 /nfs/dbraw/zinc/85/45/14/892854514.db2.gz RSFVQUJPMABAAQ-IBGZPJMESA-N 1 0 406.461 4.396 20 30 HIEDRO CC[C@H](C)c1ccccc1OCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479243556 894506993 /nfs/dbraw/zinc/50/69/93/894506993.db2.gz LYVYPEGOAMCAKM-FQEVSTJZSA-N 1 0 405.542 4.253 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000479278332 894554809 /nfs/dbraw/zinc/55/48/09/894554809.db2.gz LXYRVNMIUUJTMB-JOCHJYFZSA-N 1 0 403.615 4.308 20 30 HIEDRO Cc1ccc2c(ncc(C#N)c2NCCC[N@@H+]2CCCO[C@H](C)C2)c1Br ZINC000479310128 894597670 /nfs/dbraw/zinc/59/76/70/894597670.db2.gz DSWMHMHMRSZZFQ-OAHLLOKOSA-N 1 0 417.351 4.090 20 30 HIEDRO N#CC1(NC(=O)C2(Cc3ccc(Cl)cc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000479317792 894604946 /nfs/dbraw/zinc/60/49/46/894604946.db2.gz ZDNBWAOGXFAGLT-UHFFFAOYSA-N 1 0 407.945 4.337 20 30 HIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCc4cc(Br)ccc43)C2=O)cc1 ZINC000479458924 894779318 /nfs/dbraw/zinc/77/93/18/894779318.db2.gz UYJGEZRYHXBQAJ-RTWAWAEBSA-N 1 0 424.342 4.089 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1 ZINC000479800794 895105086 /nfs/dbraw/zinc/10/50/86/895105086.db2.gz AZBQIWGAQLFXNM-UHFFFAOYSA-N 1 0 420.344 4.440 20 30 HIEDRO Cc1ccc(OCCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000479890191 895237784 /nfs/dbraw/zinc/23/77/84/895237784.db2.gz XCFODBSJYDVDKZ-UHFFFAOYSA-N 1 0 405.542 4.069 20 30 HIEDRO Cn1cc(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000479986487 895339669 /nfs/dbraw/zinc/33/96/69/895339669.db2.gz RMYDKOYDKNKYIW-UHFFFAOYSA-N 1 0 400.404 4.190 20 30 HIEDRO Cn1cc(C[NH2+]CCc2coc(-c3ccc(F)cc3)n2)c(-c2ccc(C#N)cc2)n1 ZINC000480047228 895395991 /nfs/dbraw/zinc/39/59/91/895395991.db2.gz PMTKDPDULZYWAV-UHFFFAOYSA-N 1 0 401.445 4.085 20 30 HIEDRO Cc1cc(C)c2ncc(C#N)c(NC3CC([NH+]4CCC(C(F)(F)F)CC4)C3)c2c1 ZINC000480547544 895907996 /nfs/dbraw/zinc/90/79/96/895907996.db2.gz AUXKAFRQNLUYKH-UHFFFAOYSA-N 1 0 402.464 4.362 20 30 HIEDRO CCN(CC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)C1CC1 ZINC000480653260 896021056 /nfs/dbraw/zinc/02/10/56/896021056.db2.gz YZXHBPRYORSNNW-UHFFFAOYSA-N 1 0 408.449 4.047 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c(Br)c1 ZINC000480732238 896094021 /nfs/dbraw/zinc/09/40/21/896094021.db2.gz LIZWQBAYCPEAER-KRWDZBQOSA-N 1 0 414.351 4.018 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCC3(c4ccccc4Cl)CC3)CC2)cc1 ZINC000481355171 896729385 /nfs/dbraw/zinc/72/93/85/896729385.db2.gz PIIGGTVVUNIQFZ-UHFFFAOYSA-N 1 0 422.960 4.161 20 30 HIEDRO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cc1Cl ZINC000481882034 897254187 /nfs/dbraw/zinc/25/41/87/897254187.db2.gz AWTJTCMOYJFDDV-UHFFFAOYSA-N 1 0 417.840 4.093 20 30 HIEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)CSc2ccc(C#N)cc2)CC1 ZINC000481932046 897316548 /nfs/dbraw/zinc/31/65/48/897316548.db2.gz OTSWESRNSVTQAX-UHFFFAOYSA-N 1 0 414.962 4.084 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2ccc(OC(F)F)cc2)C(F)(F)F)CC1 ZINC000482371843 897894790 /nfs/dbraw/zinc/89/47/90/897894790.db2.gz LVPTXRWOGOMENO-INIZCTEOSA-N 1 0 421.410 4.231 20 30 HIEDRO CC[NH+]1CCN(c2ccccc2NCc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000482523783 898112050 /nfs/dbraw/zinc/11/20/50/898112050.db2.gz DIMNCESIPUZMOU-UHFFFAOYSA-N 1 0 408.546 4.132 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000483356770 898993926 /nfs/dbraw/zinc/99/39/26/898993926.db2.gz KCWTYNIWAUCLKH-XUZZJYLKSA-N 1 0 418.541 4.394 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(C(F)(F)F)ccc1Br ZINC000483359688 898996589 /nfs/dbraw/zinc/99/65/89/898996589.db2.gz XSBHXUNCLLDVSJ-UHFFFAOYSA-N 1 0 421.261 4.167 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(Cl)ccc2-c2ccc(C)o2)CC1 ZINC000483885855 899561219 /nfs/dbraw/zinc/56/12/19/899561219.db2.gz SELUOQASWPHFGA-UHFFFAOYSA-N 1 0 415.921 4.004 20 30 HIEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCN(c3ccccc3C#N)CC2)c1 ZINC000505671234 914367781 /nfs/dbraw/zinc/36/77/81/914367781.db2.gz MLUTXOYKTIFEJV-UHFFFAOYSA-N 1 0 424.548 4.153 20 30 HIEDRO CSc1cccc(N(C(=O)[C@@H](C)Oc2ccccc2C#N)C2CC[NH+](C)CC2)c1 ZINC000484299898 899861204 /nfs/dbraw/zinc/86/12/04/899861204.db2.gz ZACZADVMGQBCEY-QGZVFWFLSA-N 1 0 409.555 4.175 20 30 HIEDRO COC(=O)CC[N@H+](Cc1ccc(CC#N)cc1)Cc1cccc(Br)c1 ZINC000484328768 899882859 /nfs/dbraw/zinc/88/28/59/899882859.db2.gz YZFXJZIZCMZKRB-UHFFFAOYSA-N 1 0 401.304 4.080 20 30 HIEDRO CSc1cccc(N(C(=O)[C@H](C)Oc2ccc(C#N)cc2)C2CC[NH+](C)CC2)c1 ZINC000484404241 899928754 /nfs/dbraw/zinc/92/87/54/899928754.db2.gz MOHARDOHOOJODP-KRWDZBQOSA-N 1 0 409.555 4.175 20 30 HIEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000484622168 900076315 /nfs/dbraw/zinc/07/63/15/900076315.db2.gz SIZXDJMHLNCGHI-MWMKELGTSA-N 1 0 420.601 4.109 20 30 HIEDRO CCCOc1ccc(O[C@@H]2CCCC[C@H]2[NH2+]CC(=O)Nc2sccc2C#N)cc1 ZINC000484635604 900085067 /nfs/dbraw/zinc/08/50/67/900085067.db2.gz IULSEQZYOQZCPM-WOJBJXKFSA-N 1 0 413.543 4.327 20 30 HIEDRO C[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485162924 900461369 /nfs/dbraw/zinc/46/13/69/900461369.db2.gz SQADNZDRFUNOJM-FUHWJXTLSA-N 1 0 401.470 4.337 20 30 HIEDRO COc1cc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1OC(C)C ZINC000485231642 900517285 /nfs/dbraw/zinc/51/72/85/900517285.db2.gz OAPSJYPROBXEFO-UTKZUKDTSA-N 1 0 407.514 4.200 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]CC3(c4ccc(Cl)cc4)CCOCC3)C2=O)cc1 ZINC000485236742 900521812 /nfs/dbraw/zinc/52/18/12/900521812.db2.gz YJUQMHDGLRQEOZ-QFIPXVFZSA-N 1 0 423.944 4.045 20 30 HIEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485306402 900584773 /nfs/dbraw/zinc/58/47/73/900584773.db2.gz RECGSRSEDPTCLK-NZQKXSOJSA-N 1 0 422.960 4.137 20 30 HIEDRO CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000485771170 901027435 /nfs/dbraw/zinc/02/74/35/901027435.db2.gz PWCPNZIQFJUCQC-FFZOFVMBSA-N 1 0 403.592 4.402 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000486069472 901261752 /nfs/dbraw/zinc/26/17/52/901261752.db2.gz BPIAALILPZZXRZ-HXUWFJFHSA-N 1 0 403.448 4.185 20 30 HIEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc2ncsc2c1 ZINC000486279468 901463395 /nfs/dbraw/zinc/46/33/95/901463395.db2.gz BJFLIOVCDYOMBH-KRWDZBQOSA-N 1 0 419.554 4.146 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000505907395 914548781 /nfs/dbraw/zinc/54/87/81/914548781.db2.gz SFFPJIPJRQOELB-FPOVZHCZSA-N 1 0 421.541 4.457 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000505929412 914580928 /nfs/dbraw/zinc/58/09/28/914580928.db2.gz CTUDEIYBVYPEQF-UXHICEINSA-N 1 0 421.541 4.457 20 30 HIEDRO N#Cc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1Br ZINC000487930301 902461990 /nfs/dbraw/zinc/46/19/90/902461990.db2.gz BXUFJAMPVQDOJF-UHFFFAOYSA-N 1 0 413.319 4.238 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487937327 902467072 /nfs/dbraw/zinc/46/70/72/902467072.db2.gz XJDZCQKZXSCALT-HZPDHXFCSA-N 1 0 419.367 4.439 20 30 HIEDRO C[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000487965065 902490030 /nfs/dbraw/zinc/49/00/30/902490030.db2.gz DEWKCNUJAPMQMF-UKRRQHHQSA-N 1 0 405.340 4.095 20 30 HIEDRO N#Cc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1Br ZINC000487992447 902513788 /nfs/dbraw/zinc/51/37/88/902513788.db2.gz LKMYEUVMYOBBDF-QGZVFWFLSA-N 1 0 417.307 4.262 20 30 HIEDRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 ZINC000487990900 902513909 /nfs/dbraw/zinc/51/39/09/902513909.db2.gz IAGQCKNFJDTIBD-UHFFFAOYSA-N 1 0 407.356 4.297 20 30 HIEDRO C[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000487997345 902519495 /nfs/dbraw/zinc/51/94/95/902519495.db2.gz VXBHSOQHOWWXSK-ACJLOTCBSA-N 1 0 401.308 4.134 20 30 HIEDRO CC(C)(C)C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000488017300 902536966 /nfs/dbraw/zinc/53/69/66/902536966.db2.gz XYSCLYYMXQMHAC-GOSISDBHSA-N 1 0 410.484 4.143 20 30 HIEDRO N#C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000505982194 914645106 /nfs/dbraw/zinc/64/51/06/914645106.db2.gz QHMCSLIUNWJKHG-UYAOXDASSA-N 1 0 401.432 4.298 20 30 HIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCc4c(Br)cccc43)C2=O)cc1 ZINC000488456157 902833306 /nfs/dbraw/zinc/83/33/06/902833306.db2.gz GBZVTUAHWUXMEP-RTWAWAEBSA-N 1 0 424.342 4.089 20 30 HIEDRO CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488471580 902842206 /nfs/dbraw/zinc/84/22/06/902842206.db2.gz CNWKWNIEQIPWSV-CTNGQTDRSA-N 1 0 413.974 4.473 20 30 HIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCCc4ccc(Br)cc43)C2=O)cc1 ZINC000488471844 902843136 /nfs/dbraw/zinc/84/31/36/902843136.db2.gz XMXHLBUSMXLKOI-NHCUHLMSSA-N 1 0 424.342 4.089 20 30 HIEDRO C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488506161 902861188 /nfs/dbraw/zinc/86/11/88/902861188.db2.gz YRJWPAUYWIGLLI-KKSFZXQISA-N 1 0 415.459 4.289 20 30 HIEDRO C[C@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488624712 902904558 /nfs/dbraw/zinc/90/45/58/902904558.db2.gz IOSJMBZXVVRVJY-BPUWIUIQSA-N 1 0 416.569 4.378 20 30 HIEDRO C=CC[C@@H](C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000488983632 903104595 /nfs/dbraw/zinc/10/45/95/903104595.db2.gz OSEMPBMCMYENMU-JOCHJYFZSA-N 1 0 406.530 4.201 20 30 HIEDRO Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490354394 903947217 /nfs/dbraw/zinc/94/72/17/903947217.db2.gz LMXQBBWUCSZGIR-HXUWFJFHSA-N 1 0 402.473 4.193 20 30 HIEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491037208 904390517 /nfs/dbraw/zinc/39/05/17/904390517.db2.gz NVORXHCEWVFCSQ-UHFFFAOYSA-N 1 0 417.582 4.428 20 30 HIEDRO N#Cc1ccc(Br)c(CN2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)c1 ZINC000491831652 904705598 /nfs/dbraw/zinc/70/55/98/904705598.db2.gz JWSMRMJWSVLZHO-AWEZNQCLSA-N 1 0 413.241 4.373 20 30 HIEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)[C@H]2C1 ZINC000492123065 904802570 /nfs/dbraw/zinc/80/25/70/904802570.db2.gz VBBDQWZBGYJCRK-NQIIRXRSSA-N 1 0 424.932 4.349 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H](c4nc5ccc(F)cc5o4)C3)C2=O)cc1 ZINC000492731567 904896425 /nfs/dbraw/zinc/89/64/25/904896425.db2.gz WVENMIZLMDYGHE-LAUBAEHRSA-N 1 0 418.472 4.214 20 30 HIEDRO COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1OCCCC#N ZINC000506261231 914869499 /nfs/dbraw/zinc/86/94/99/914869499.db2.gz FDOJOIGUPQKGJH-HXUWFJFHSA-N 1 0 407.514 4.228 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000493924343 905276494 /nfs/dbraw/zinc/27/64/94/905276494.db2.gz CLNQPXKALVIADU-UYAOXDASSA-N 1 0 406.530 4.378 20 30 HIEDRO CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)C(C)(C)C[NH+]1CCCCCC1 ZINC000493978845 905323607 /nfs/dbraw/zinc/32/36/07/905323607.db2.gz VAFKVZAIETXIHT-UHFFFAOYSA-N 1 0 406.530 4.472 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)Cc2cccc3[nH]ccc32)c1C#N ZINC000494104185 905435831 /nfs/dbraw/zinc/43/58/31/905435831.db2.gz CDECHYYBVMDFKW-UHFFFAOYSA-N 1 0 415.497 4.170 20 30 HIEDRO COc1cc(C[N@H+](CCO)Cc2cccc(F)c2)ccc1OCc1cccc(C#N)c1 ZINC000494234126 905561911 /nfs/dbraw/zinc/56/19/11/905561911.db2.gz NKGHZPDLLICVBH-UHFFFAOYSA-N 1 0 420.484 4.279 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494447425 905731301 /nfs/dbraw/zinc/73/13/01/905731301.db2.gz ZJZSLYMXXDWOTB-YSSFQJQWSA-N 1 0 404.963 4.424 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494445589 905731500 /nfs/dbraw/zinc/73/15/00/905731500.db2.gz JVTRRBJHWXWAFL-YXKWSERDSA-N 1 0 404.297 4.312 20 30 HIEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1Cl ZINC000494501383 905793675 /nfs/dbraw/zinc/79/36/75/905793675.db2.gz HSKLLVKFNMCPSL-IEBWSBKVSA-N 1 0 408.260 4.062 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc(Br)cs1 ZINC000494738020 905938475 /nfs/dbraw/zinc/93/84/75/905938475.db2.gz IHDKEXPGYGBYAD-BLLLJJGKSA-N 1 0 404.333 4.228 20 30 HIEDRO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CCCCCC1 ZINC000494750229 905951113 /nfs/dbraw/zinc/95/11/13/905951113.db2.gz BNGYOZFFLWQZQT-LJQANCHMSA-N 1 0 412.578 4.011 20 30 HIEDRO CC[C@H]1CCCCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000495051480 906205260 /nfs/dbraw/zinc/20/52/60/906205260.db2.gz VXWBKMDVEXZPDW-OALUTQOASA-N 1 0 412.578 4.011 20 30 HIEDRO CC[C@H]1CCCCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000495051482 906205502 /nfs/dbraw/zinc/20/55/02/906205502.db2.gz VXWBKMDVEXZPDW-RBUKOAKNSA-N 1 0 412.578 4.011 20 30 HIEDRO CC(C)(C)c1ccc([C@@H](C#N)NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1 ZINC000495129756 906259489 /nfs/dbraw/zinc/25/94/89/906259489.db2.gz DAZLHVMNIJEZER-XMMPIXPASA-N 1 0 419.569 4.183 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCn2ccc3cc(Cl)ccc32)c(-c2ccncc2)n1 ZINC000512560689 921237094 /nfs/dbraw/zinc/23/70/94/921237094.db2.gz GDFYLYYBLCLVLL-UHFFFAOYSA-N 1 0 404.905 4.257 20 30 HIEDRO CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000495546933 906500558 /nfs/dbraw/zinc/50/05/58/906500558.db2.gz KDQBSGDWECOZLO-INIZCTEOSA-N 1 0 410.587 4.067 20 30 HIEDRO N#Cc1csc(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)c1 ZINC000512574941 921245517 /nfs/dbraw/zinc/24/55/17/921245517.db2.gz UUCIWSORPXUXCX-UHFFFAOYSA-N 1 0 404.333 4.233 20 30 HIEDRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(Br)c1 ZINC000512600558 921255731 /nfs/dbraw/zinc/25/57/31/921255731.db2.gz XDALNDNMMLDUSQ-UHFFFAOYSA-N 1 0 412.331 4.480 20 30 HIEDRO C[C@@H]([NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc(C#N)cc1F ZINC000512625066 921266143 /nfs/dbraw/zinc/26/61/43/921266143.db2.gz LMFLGNQZWIUWIR-QVKFZJNVSA-N 1 0 421.438 4.440 20 30 HIEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497563634 907050704 /nfs/dbraw/zinc/05/07/04/907050704.db2.gz CSVJIWHGQMBITF-UHFFFAOYSA-N 1 0 407.480 4.011 20 30 HIEDRO N#Cc1ccccc1OC1CCC(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC000497564412 907050770 /nfs/dbraw/zinc/05/07/70/907050770.db2.gz NOICBRGLLVASEL-UHFFFAOYSA-N 1 0 424.589 4.202 20 30 HIEDRO CCC[C@@H]1CN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000497929798 907396193 /nfs/dbraw/zinc/39/61/93/907396193.db2.gz HTEQBOZKPKWURH-LJQANCHMSA-N 1 0 416.447 4.099 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccc(N2CCSCC2)cc1C)C(C)C ZINC000497996527 907476853 /nfs/dbraw/zinc/47/68/53/907476853.db2.gz JNCSDMHPHUJDBH-JOCHJYFZSA-N 1 0 416.635 4.368 20 30 HIEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000498013143 907505045 /nfs/dbraw/zinc/50/50/45/907505045.db2.gz DSRQBDOPCBPKRH-LAUBAEHRSA-N 1 0 417.575 4.004 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C ZINC000498412366 907889142 /nfs/dbraw/zinc/88/91/42/907889142.db2.gz VJONUIUBDZVVDI-OALUTQOASA-N 1 0 421.589 4.178 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2cnn3ccccc23)cc1OCC ZINC000512875169 921372040 /nfs/dbraw/zinc/37/20/40/921372040.db2.gz ZUNSCFSVRVSONV-UHFFFAOYSA-N 1 0 416.319 4.350 20 30 HIEDRO COc1cccc(C2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)c1 ZINC000498692545 908121389 /nfs/dbraw/zinc/12/13/89/908121389.db2.gz GQWRFNPSMBIUII-SFHVURJKSA-N 1 0 409.505 4.349 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498703822 908129361 /nfs/dbraw/zinc/12/93/61/908129361.db2.gz LQXGVMNXGGJHHW-RDPSFJRHSA-N 1 0 402.542 4.166 20 30 HIEDRO COCC[N@H+](C)CCCC1CCN(C(=O)Nc2ccc(C(C)(C)C#N)cc2)CC1 ZINC000499233127 908594275 /nfs/dbraw/zinc/59/42/75/908594275.db2.gz FJUQDDFXLZIFKG-UHFFFAOYSA-N 1 0 400.567 4.090 20 30 HIEDRO CC[N@H+](CCCC1(C#N)CCOCC1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000499539618 908833464 /nfs/dbraw/zinc/83/34/64/908833464.db2.gz SQIRLZOHITXRMO-UHFFFAOYSA-N 1 0 413.610 4.300 20 30 HIEDRO CN(C(=O)CCCCOc1cccc(C#N)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499548499 908836231 /nfs/dbraw/zinc/83/62/31/908836231.db2.gz REKRQRIGXLFFTH-UHFFFAOYSA-N 1 0 405.542 4.230 20 30 HIEDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C[C@@H]1C ZINC000499562868 908842029 /nfs/dbraw/zinc/84/20/29/908842029.db2.gz PNTKPKXBXXZAPG-IRXDYDNUSA-N 1 0 410.493 4.223 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3c(F)ccc(Br)c3F)CC2)nc1 ZINC000500400116 909836013 /nfs/dbraw/zinc/83/60/13/909836013.db2.gz ROWVCMDZKYNFAW-UHFFFAOYSA-N 1 0 422.273 4.474 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000500625835 909976693 /nfs/dbraw/zinc/97/66/93/909976693.db2.gz WCPKPBHFRYJDEM-UEXGIBASSA-N 1 0 421.589 4.177 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccsc1 ZINC000513107795 921554948 /nfs/dbraw/zinc/55/49/48/921554948.db2.gz IEWACAJGJVXCOL-OAQYLSRUSA-N 1 0 405.523 4.231 20 30 HIEDRO C=CCc1cc(C[N@@H+](Cc2cccc(OC)c2)C2CCC(O)CC2)cc(OC)c1O ZINC000513111967 921559231 /nfs/dbraw/zinc/55/92/31/921559231.db2.gz QCMIEHIOMJNAGP-UHFFFAOYSA-N 1 0 411.542 4.444 20 30 HIEDRO C[NH+](C)CCCC1CCN(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000501374304 910501988 /nfs/dbraw/zinc/50/19/88/910501988.db2.gz YFZYTAZHIILUCM-UHFFFAOYSA-N 1 0 412.456 4.085 20 30 HIEDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)c1 ZINC000501887875 910906924 /nfs/dbraw/zinc/90/69/24/910906924.db2.gz KEAUFACYNMNUMU-UHFFFAOYSA-N 1 0 403.482 4.112 20 30 HIEDRO C[C@H](CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000502178617 911104920 /nfs/dbraw/zinc/10/49/20/911104920.db2.gz QMUHDWMZVNKSJX-HXUWFJFHSA-N 1 0 402.542 4.268 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502190257 911127364 /nfs/dbraw/zinc/12/73/64/911127364.db2.gz UKFFEVBXILHGBA-NBGIEHNGSA-N 1 0 414.553 4.268 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)NCC3CC[NH+](Cc4cccs4)CC3)CC2)cc1 ZINC000502293419 911251166 /nfs/dbraw/zinc/25/11/66/911251166.db2.gz JNDHBZYCORYEMA-UHFFFAOYSA-N 1 0 420.582 4.331 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)CC2)cc1 ZINC000502296409 911255335 /nfs/dbraw/zinc/25/53/35/911255335.db2.gz YFTJEWOUHADGJQ-UHFFFAOYSA-N 1 0 400.526 4.153 20 30 HIEDRO COc1ccc(C[NH+]2CCC(N3CCc4ccccc43)CC2)cc1OCCCC#N ZINC000502334694 911314947 /nfs/dbraw/zinc/31/49/47/911314947.db2.gz RZXJXYLPKBSZKM-UHFFFAOYSA-N 1 0 405.542 4.405 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)NCc3ccccc3C[NH+]3CCCC3)CC2)cc1 ZINC000502415478 911396039 /nfs/dbraw/zinc/39/60/39/911396039.db2.gz FLXKPKMQFGSSSP-UHFFFAOYSA-N 1 0 400.526 4.153 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1c1ccccc1 ZINC000513258155 921662478 /nfs/dbraw/zinc/66/24/78/921662478.db2.gz VFFREVBQGRCKTG-HTAPYJJXSA-N 1 0 408.546 4.035 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000502621539 911647924 /nfs/dbraw/zinc/64/79/24/911647924.db2.gz KWGLKQRWZVXBEA-UHFFFAOYSA-N 1 0 404.514 4.034 20 30 HIEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000502877982 911879977 /nfs/dbraw/zinc/87/99/77/911879977.db2.gz TVURGOQCSCNBOW-HNNXBMFYSA-N 1 0 412.456 4.133 20 30 HIEDRO Cc1ccccc1[C@@H](OC[C@@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000506309389 914899192 /nfs/dbraw/zinc/89/91/92/914899192.db2.gz SXYAVKFAFNUJTR-AHWVRZQESA-N 1 0 400.522 4.466 20 30 HIEDRO C=C(C)COc1cc(C[NH+]2CCC(C(=O)OC)(c3ccccc3)CC2)ccc1OC ZINC000506626001 915289596 /nfs/dbraw/zinc/28/95/96/915289596.db2.gz WJZFVJBUGMNLJF-UHFFFAOYSA-N 1 0 409.526 4.357 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCSCc2ccccc2C#N)C1 ZINC000506939640 915744094 /nfs/dbraw/zinc/74/40/94/915744094.db2.gz JOAVPJCOBRTKDH-VQTJNVASSA-N 1 0 414.619 4.087 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000507346981 916100992 /nfs/dbraw/zinc/10/09/92/916100992.db2.gz IYQYGDGVHJKBLS-FQEVSTJZSA-N 1 0 408.546 4.086 20 30 HIEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC(=O)Nc1cc(Cl)ccc1C#N ZINC000507622547 916381329 /nfs/dbraw/zinc/38/13/29/916381329.db2.gz UDFMSVRLHKNCKN-UHFFFAOYSA-N 1 0 407.905 4.105 20 30 HIEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000507637397 916395500 /nfs/dbraw/zinc/39/55/00/916395500.db2.gz PTWWFNQXAVFXPP-HXUWFJFHSA-N 1 0 415.541 4.276 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3c[nH]nc3-c3c(F)cccc3F)CC2)nc1 ZINC000507765667 916549772 /nfs/dbraw/zinc/54/97/72/916549772.db2.gz GCTNQFNIXVZCKD-UHFFFAOYSA-N 1 0 409.440 4.101 20 30 HIEDRO CC(C)[N@H+](CCOc1cccc(C#N)c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000507835068 916639772 /nfs/dbraw/zinc/63/97/72/916639772.db2.gz WVFAXZORWQFOSE-UHFFFAOYSA-N 1 0 405.420 4.305 20 30 HIEDRO COc1cc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)ccc1OCC(F)(F)F ZINC000507943753 916809893 /nfs/dbraw/zinc/80/98/93/916809893.db2.gz BCTVOGHRYYBSTE-UHFFFAOYSA-N 1 0 419.447 4.267 20 30 HIEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000508175395 916996635 /nfs/dbraw/zinc/99/66/35/916996635.db2.gz WCRZRSUCCANBLV-UHFFFAOYSA-N 1 0 420.557 4.151 20 30 HIEDRO C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508472164 917255786 /nfs/dbraw/zinc/25/57/86/917255786.db2.gz IWQYWVPCJLYKLB-SFTDATJTSA-N 1 0 409.578 4.286 20 30 HIEDRO C=CCn1c(-c2ccoc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508474961 917259228 /nfs/dbraw/zinc/25/92/28/917259228.db2.gz WYOFJLXQQGDKBQ-IRLDBZIGSA-N 1 0 403.530 4.215 20 30 HIEDRO C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508477081 917261592 /nfs/dbraw/zinc/26/15/92/917261592.db2.gz IYKNDYXDWWMFFC-FQEVSTJZSA-N 1 0 409.578 4.286 20 30 HIEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508480828 917264789 /nfs/dbraw/zinc/26/47/89/917264789.db2.gz KPZUMETVVJMKLG-TZIWHRDSSA-N 1 0 411.569 4.285 20 30 HIEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508481398 917265281 /nfs/dbraw/zinc/26/52/81/917265281.db2.gz QJVZBTWZABNKIU-UHFFFAOYSA-N 1 0 402.546 4.134 20 30 HIEDRO C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508498013 917282360 /nfs/dbraw/zinc/28/23/60/917282360.db2.gz PFKSJMYLBNQMJO-UHFFFAOYSA-N 1 0 418.545 4.241 20 30 HIEDRO COCC[N@H+](Cc1cn(-c2ccccc2)nc1-c1cccnc1)Cc1ccc(C#N)cc1 ZINC000508526250 917308627 /nfs/dbraw/zinc/30/86/27/917308627.db2.gz BKZOQOPGWANSHZ-UHFFFAOYSA-N 1 0 423.520 4.455 20 30 HIEDRO C=CCOc1c(Br)cc(CN(C)C[C@H]2CCC[N@H+](C)C2)cc1OCC ZINC000508571235 917345234 /nfs/dbraw/zinc/34/52/34/917345234.db2.gz UAFAIJQEBGOYRR-INIZCTEOSA-N 1 0 411.384 4.186 20 30 HIEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508732447 917492885 /nfs/dbraw/zinc/49/28/85/917492885.db2.gz HHJVKSYPOLAKBX-UHFFFAOYSA-N 1 0 416.573 4.442 20 30 HIEDRO C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508746168 917503758 /nfs/dbraw/zinc/50/37/58/917503758.db2.gz JYBCYJYFVLVZQA-SFTDATJTSA-N 1 0 411.594 4.389 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC000508746940 917505406 /nfs/dbraw/zinc/50/54/06/917505406.db2.gz LXODCIAHOHAHOT-LJQANCHMSA-N 1 0 417.557 4.289 20 30 HIEDRO C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508825384 917578722 /nfs/dbraw/zinc/57/87/22/917578722.db2.gz DWYFSUIGCWABQS-QHCPKHFHSA-N 1 0 401.558 4.273 20 30 HIEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508850912 917604506 /nfs/dbraw/zinc/60/45/06/917604506.db2.gz WXZBZGRALQFEED-PZJWPPBQSA-N 1 0 404.562 4.094 20 30 HIEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508885893 917639929 /nfs/dbraw/zinc/63/99/29/917639929.db2.gz UZFCFIGGTLNNGQ-PMVMPFDFSA-N 1 0 421.589 4.022 20 30 HIEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[NH+](C)C ZINC000508892135 917647879 /nfs/dbraw/zinc/64/78/79/917647879.db2.gz HXYCIYZUTLLVJR-YADARESESA-N 1 0 420.557 4.111 20 30 HIEDRO C=CCn1c(-c2cc(C)oc2C)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508896946 917652983 /nfs/dbraw/zinc/65/29/83/917652983.db2.gz VLFBGDFGCKCJAQ-OAQYLSRUSA-N 1 0 405.546 4.299 20 30 HIEDRO C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508902112 917656513 /nfs/dbraw/zinc/65/65/13/917656513.db2.gz IGBDUFMINRGIBM-SFHVURJKSA-N 1 0 405.468 4.215 20 30 HIEDRO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508936648 917693385 /nfs/dbraw/zinc/69/33/85/917693385.db2.gz SLMLNAOAPRVTTQ-FOIQADDNSA-N 1 0 415.944 4.377 20 30 HIEDRO C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000508956807 917712808 /nfs/dbraw/zinc/71/28/08/917712808.db2.gz UCAZMVVIDCNBAF-QHCPKHFHSA-N 1 0 423.605 4.129 20 30 HIEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000508994721 917748813 /nfs/dbraw/zinc/74/88/13/917748813.db2.gz IODPHUGQWMTGDT-UHFFFAOYSA-N 1 0 410.610 4.419 20 30 HIEDRO CC[N@@H+]1CCC[C@@H](CN(C)c2nc3c(cc2C#N)CCCC3(C)C)[C@@H]1c1cnn(C)c1 ZINC000509633298 918276263 /nfs/dbraw/zinc/27/62/63/918276263.db2.gz LGHWKVQAGIQYQF-SIKLNZKXSA-N 1 0 420.605 4.210 20 30 HIEDRO C=CCOc1cccc(NC(=O)NCCCC[NH+]2CCN(c3cccc(C)c3)CC2)c1 ZINC000510756644 919206770 /nfs/dbraw/zinc/20/67/70/919206770.db2.gz YMQGSOQZYBYDPQ-UHFFFAOYSA-N 1 0 422.573 4.284 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(C[NH+](CC)CC)CC2)cc1 ZINC000511017223 919584619 /nfs/dbraw/zinc/58/46/19/919584619.db2.gz WLASXVVDXGEBPC-UHFFFAOYSA-N 1 0 412.578 4.087 20 30 HIEDRO COc1cc(C[N@H+]2CC=C(c3ccnn3C)CC2)ccc1OCc1cccc(C#N)c1 ZINC000511091564 919695565 /nfs/dbraw/zinc/69/55/65/919695565.db2.gz MHCDDXOKEYEGLK-UHFFFAOYSA-N 1 0 414.509 4.169 20 30 HIEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000511396514 920008474 /nfs/dbraw/zinc/00/84/74/920008474.db2.gz GSJURTVKQAANDQ-UHFFFAOYSA-N 1 0 413.546 4.283 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CCC(CC[NH+](C)C)CC2)cc1OC ZINC000511525757 920144720 /nfs/dbraw/zinc/14/47/20/920144720.db2.gz LNDVHDDPSARKJI-UHFFFAOYSA-N 1 0 411.384 4.186 20 30 HIEDRO Cc1cc(F)ccc1N(CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cccc(C#N)c1 ZINC000511639050 920301948 /nfs/dbraw/zinc/30/19/48/920301948.db2.gz JUERDPTYIQUWSP-UHFFFAOYSA-N 1 0 422.548 4.001 20 30 HIEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000511725811 920392302 /nfs/dbraw/zinc/39/23/02/920392302.db2.gz WSKAJZWVYRUUTC-UHFFFAOYSA-N 1 0 403.461 4.121 20 30 HIEDRO Cc1cc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)sc1Br ZINC000511760443 920443407 /nfs/dbraw/zinc/44/34/07/920443407.db2.gz XIEADOAEPUDXBC-XJKSGUPXSA-N 1 0 418.360 4.142 20 30 HIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000511767354 920453677 /nfs/dbraw/zinc/45/36/77/920453677.db2.gz DBHMXKMZRIZULE-QFIPXVFZSA-N 1 0 407.583 4.208 20 30 HIEDRO C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(C#N)cc1 ZINC000512019600 920794512 /nfs/dbraw/zinc/79/45/12/920794512.db2.gz IABXTCURSOWTSV-YWZLYKJASA-N 1 0 416.447 4.212 20 30 HIEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H](CCO)c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000512215774 920965291 /nfs/dbraw/zinc/96/52/91/920965291.db2.gz XGSWLNBHCJWUQD-KRWDZBQOSA-N 1 0 412.704 4.170 20 30 HIEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000513541733 921880988 /nfs/dbraw/zinc/88/09/88/921880988.db2.gz VFKYBMUWSBHIQC-HXUWFJFHSA-N 1 0 405.542 4.379 20 30 HIEDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)cc1 ZINC000513567922 921901061 /nfs/dbraw/zinc/90/10/61/921901061.db2.gz OUMAIKFURPRJNS-LJQANCHMSA-N 1 0 400.320 4.286 20 30 HIEDRO COc1cc(Cl)c(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000514885821 922832225 /nfs/dbraw/zinc/83/22/25/922832225.db2.gz BKMMFTPUJOWLGQ-UHFFFAOYSA-N 1 0 412.921 4.269 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000515961915 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4.110 20 30 HIEDRO N#Cc1ccc(Oc2ccc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)cc2)nc1 ZINC000518395489 927239255 /nfs/dbraw/zinc/23/92/55/927239255.db2.gz JOYZVYJPDIHYLL-UHFFFAOYSA-N 1 0 412.493 4.271 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2C)CC1 ZINC000518513775 927318371 /nfs/dbraw/zinc/31/83/71/927318371.db2.gz QVGSGDRXLXCDRM-UHFFFAOYSA-N 1 0 412.578 4.029 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccnc2Oc2ccc(OCCC)cc2)CC1 ZINC000518521022 927324148 /nfs/dbraw/zinc/32/41/48/927324148.db2.gz BCEGXEYQROTQRB-UHFFFAOYSA-N 1 0 424.545 4.112 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)CC1 ZINC000519271030 927857454 /nfs/dbraw/zinc/85/74/54/927857454.db2.gz GTLOFVSSXMBANV-UHFFFAOYSA-N 1 0 416.525 4.482 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(NC(=O)c3ccc(C)cc3)c2)CC1 ZINC000519283587 927863048 /nfs/dbraw/zinc/86/30/48/927863048.db2.gz QXELQTIRDDWAON-UHFFFAOYSA-N 1 0 420.557 4.087 20 30 HIEDRO Cc1ccc([C@@H](CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[NH+](C)C)cc1 ZINC000520055387 928280006 /nfs/dbraw/zinc/28/00/06/928280006.db2.gz NGWPQTMBRRVJEU-OAQYLSRUSA-N 1 0 419.554 4.338 20 30 HIEDRO COc1ccc([C@@H](NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)C2CC2)cc1 ZINC000520173783 928364710 /nfs/dbraw/zinc/36/47/10/928364710.db2.gz BHYAFVNXCUGXBJ-VWLOTQADSA-N 1 0 405.542 4.292 20 30 HIEDRO CCC(CC)[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[NH+]1CCCC1 ZINC000520612982 928672967 /nfs/dbraw/zinc/67/29/67/928672967.db2.gz KXGZWJAGIVXEPG-HSZRJFAPSA-N 1 0 412.578 4.012 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)CC1 ZINC000520693801 928741111 /nfs/dbraw/zinc/74/11/11/928741111.db2.gz VPBDVQNKRUKGQU-UHFFFAOYSA-N 1 0 412.578 4.045 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccco1 ZINC000520830846 928836100 /nfs/dbraw/zinc/83/61/00/928836100.db2.gz BCUVJTZCGUSSCN-LJQANCHMSA-N 1 0 423.542 4.403 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000521121436 929006689 /nfs/dbraw/zinc/00/66/89/929006689.db2.gz IZBFSJBBZWVNLM-NQIIRXRSSA-N 1 0 408.502 4.128 20 30 HIEDRO C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000521517522 929270614 /nfs/dbraw/zinc/27/06/14/929270614.db2.gz KZBBFFHZMNAFOV-LJQANCHMSA-N 1 0 423.605 4.118 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000521873082 929522849 /nfs/dbraw/zinc/52/28/49/929522849.db2.gz CVABQKAUVQIMLL-QHCPKHFHSA-N 1 0 417.553 4.352 20 30 HIEDRO Cc1n[nH]cc1C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000521988539 929612254 /nfs/dbraw/zinc/61/22/54/929612254.db2.gz WGGWVUJWNKYLRW-UHFFFAOYSA-N 1 0 411.575 4.128 20 30 HIEDRO C=CCc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cc(OC)c1OC ZINC000524868242 929865068 /nfs/dbraw/zinc/86/50/68/929865068.db2.gz JXKMZDRCTFUJCR-LJQANCHMSA-N 1 0 408.542 4.169 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)ccc1OC ZINC000524947051 929908670 /nfs/dbraw/zinc/90/86/70/929908670.db2.gz LEKXNVWLFSZXGH-NLFFAJNJSA-N 1 0 410.558 4.029 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)CCCCOc2cccc(C#N)c2)[C@H]1c1cccs1 ZINC000525039105 929994714 /nfs/dbraw/zinc/99/47/14/929994714.db2.gz FOHQIALLRJJMHP-CVDCTZTESA-N 1 0 411.571 4.368 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000525761346 930435330 /nfs/dbraw/zinc/43/53/30/930435330.db2.gz YCRSRQHHNUIITI-HZPDHXFCSA-N 1 0 417.456 4.283 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000530692333 930799702 /nfs/dbraw/zinc/79/97/02/930799702.db2.gz LVCOMCZTFBNVAR-UHFFFAOYSA-N 1 0 421.954 4.346 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]C(C)(C)C(C)(C)CO)cc1OCC ZINC000530729724 930811066 /nfs/dbraw/zinc/81/10/66/930811066.db2.gz XVCDBLHJMIEOIP-UHFFFAOYSA-N 1 0 400.357 4.299 20 30 HIEDRO CC(C)OCCN1CCC([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000530870433 930844094 /nfs/dbraw/zinc/84/40/94/930844094.db2.gz MYXRBOHDDMLNCP-UHFFFAOYSA-N 1 0 407.558 4.116 20 30 HIEDRO C=C(C)COc1cc(CNc2ccccc2C[NH+]2CCC(CO)CC2)ccc1OC ZINC000531257056 930984617 /nfs/dbraw/zinc/98/46/17/930984617.db2.gz XKFYUMGRBKQRIS-UHFFFAOYSA-N 1 0 410.558 4.467 20 30 HIEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)Cc2cccc(C#N)c2)CC1 ZINC000531389085 931040731 /nfs/dbraw/zinc/04/07/31/931040731.db2.gz IMLIZDHRBAUSCC-UHFFFAOYSA-N 1 0 415.459 4.243 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000531471867 931070684 /nfs/dbraw/zinc/07/06/84/931070684.db2.gz OPVAKGHFPHFOCZ-FDFHNCONSA-N 1 0 410.949 4.424 20 30 HIEDRO N#CCCn1cc(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)c(-c2ccccc2)n1 ZINC000531524266 931091628 /nfs/dbraw/zinc/09/16/28/931091628.db2.gz YICCURPVEQOVBO-IBGZPJMESA-N 1 0 407.468 4.110 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000531694826 931157502 /nfs/dbraw/zinc/15/75/02/931157502.db2.gz RLDOCZYLSUEIDK-VHSXEESVSA-N 1 0 404.326 4.177 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000532226643 931362429 /nfs/dbraw/zinc/36/24/29/931362429.db2.gz PLKZVAAAKKGQFG-IERDGZPVSA-N 1 0 421.520 4.301 20 30 HIEDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1C ZINC000532507184 931466556 /nfs/dbraw/zinc/46/65/56/931466556.db2.gz WEABWHBSBSGRGO-FXAWDEMLSA-N 1 0 408.521 4.290 20 30 HIEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000532590538 931547734 /nfs/dbraw/zinc/54/77/34/931547734.db2.gz NQNGICFPERMLGM-ISKFKSNPSA-N 1 0 415.537 4.226 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)CN2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1Cl ZINC000532700707 931594926 /nfs/dbraw/zinc/59/49/26/931594926.db2.gz ZBSLNTNAHXTRDV-ZVDOUQERSA-N 1 0 416.997 4.232 20 30 HIEDRO CC(C)[N@H+](C)CC1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000532949828 931708436 /nfs/dbraw/zinc/70/84/36/931708436.db2.gz XHLIDPCDQNLQKK-KRWDZBQOSA-N 1 0 416.635 4.268 20 30 HIEDRO CCC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000532970310 931720437 /nfs/dbraw/zinc/72/04/37/931720437.db2.gz GRIDPWUTTIWQDK-ZYOFANERSA-N 1 0 415.603 4.402 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(Oc3ccc(F)cc3)CC1)CCC2 ZINC000532977772 931724239 /nfs/dbraw/zinc/72/42/39/931724239.db2.gz JAGSYQQKYOHWOC-UHFFFAOYSA-N 1 0 413.518 4.120 20 30 HIEDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1C ZINC000532988382 931727867 /nfs/dbraw/zinc/72/78/67/931727867.db2.gz PHGSPQIOQLCBJZ-XXBNENTESA-N 1 0 407.558 4.450 20 30 HIEDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@H]1C ZINC000532988379 931728286 /nfs/dbraw/zinc/72/82/86/931728286.db2.gz PHGSPQIOQLCBJZ-AUSIDOKSSA-N 1 0 407.558 4.450 20 30 HIEDRO CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)Nc1c(C)cccc1C ZINC000533067718 931761598 /nfs/dbraw/zinc/76/15/98/931761598.db2.gz WWCJALUYHPQIAX-UHFFFAOYSA-N 1 0 412.921 4.118 20 30 HIEDRO Cc1ccc(OC2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)cc1 ZINC000533296748 931832123 /nfs/dbraw/zinc/83/21/23/931832123.db2.gz XJWJRESMVDUJNT-UHFFFAOYSA-N 1 0 409.555 4.289 20 30 HIEDRO CC[NH+](CC)CCN(CC(=O)Nc1sc(C)c(C)c1C#N)Cc1cccs1 ZINC000533345688 931843566 /nfs/dbraw/zinc/84/35/66/931843566.db2.gz QDQVDQZMHXRCLE-UHFFFAOYSA-N 1 0 404.605 4.081 20 30 HIEDRO N#Cc1c(NC(=O)C[NH2+]C2(c3ccccc3)CCOCC2)sc2c1CCCCC2 ZINC000533380545 931853509 /nfs/dbraw/zinc/85/35/09/931853509.db2.gz KAGVYHJYRATZQA-UHFFFAOYSA-N 1 0 409.555 4.123 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000533382318 931854046 /nfs/dbraw/zinc/85/40/46/931854046.db2.gz JYSLTZMTBMPXHF-KRWDZBQOSA-N 1 0 408.571 4.407 20 30 HIEDRO COc1cc(C[NH+]2CCC(n3ccnc3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000533484439 931881953 /nfs/dbraw/zinc/88/19/53/931881953.db2.gz GRDMCDFLXPSFFY-UHFFFAOYSA-N 1 0 402.498 4.179 20 30 HIEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000533696990 931974349 /nfs/dbraw/zinc/97/43/49/931974349.db2.gz HXIFQKRSUFGAQD-JOCHJYFZSA-N 1 0 403.526 4.463 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)Cc1ccccc1 ZINC000533813113 932042877 /nfs/dbraw/zinc/04/28/77/932042877.db2.gz CCPCQIACTWANMF-DEOSSOPVSA-N 1 0 413.521 4.040 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2ccc(C[NH+](C)C)c(F)c2)cc1 ZINC000534229069 932349381 /nfs/dbraw/zinc/34/93/81/932349381.db2.gz CRKZXUAXMNIVBF-UHFFFAOYSA-N 1 0 424.520 4.023 20 30 HIEDRO COc1ccc(OC2CC[NH+](Cc3ccc(OC)c(OCCCC#N)c3)CC2)cc1 ZINC000534336256 932385153 /nfs/dbraw/zinc/38/51/53/932385153.db2.gz SDSNOAJRTRNKRR-UHFFFAOYSA-N 1 0 410.514 4.430 20 30 HIEDRO C=CCc1cc(C[NH2+][C@@H](CC)[C@@H](c2ccc(C)cc2)n2cncn2)cc(OC)c1O ZINC000534450260 932465053 /nfs/dbraw/zinc/46/50/53/932465053.db2.gz GIVJFYIZBJEOHC-JTHBVZDNSA-N 1 0 406.530 4.187 20 30 HIEDRO C=CCN(CC=C)C(=O)[C@H](C)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000534691682 932662294 /nfs/dbraw/zinc/66/22/94/932662294.db2.gz PTYDLIPFNUSEPY-SFHVURJKSA-N 1 0 423.523 4.191 20 30 HIEDRO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@H]1c1ccccc1 ZINC000534753515 932729501 /nfs/dbraw/zinc/72/95/01/932729501.db2.gz KWAHKNWNKBMYJC-JWQCQUIFSA-N 1 0 411.505 4.312 20 30 HIEDRO C[N@@H+]1CC[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)[C@H]1c1ccccc1 ZINC000534757092 932734283 /nfs/dbraw/zinc/73/42/83/932734283.db2.gz UDYZEZACAXYKQI-UKILVPOCSA-N 1 0 411.505 4.312 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1CCC(F)(F)F ZINC000535447683 933141395 /nfs/dbraw/zinc/14/13/95/933141395.db2.gz VABFWPCWPSEIBT-UHFFFAOYSA-N 1 0 403.448 4.257 20 30 HIEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C(C)(C)c2ccc(-c3ccccc3)cc2)c1C#N ZINC000535502073 933191067 /nfs/dbraw/zinc/19/10/67/933191067.db2.gz CQFIQOWHKOVHFY-UHFFFAOYSA-N 1 0 401.514 4.017 20 30 HIEDRO C[NH+](C)Cc1ccc(CNC(=O)c2cccc(COc3ccccc3C#N)c2)cc1F ZINC000535710722 933365091 /nfs/dbraw/zinc/36/50/91/933365091.db2.gz HTVOGRIBFKMMHN-UHFFFAOYSA-N 1 0 417.484 4.268 20 30 HIEDRO COc1ccc(C[NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1OCCCC#N ZINC000537342982 933726173 /nfs/dbraw/zinc/72/61/73/933726173.db2.gz IXTGJBFKXDDVCY-SIKLNZKXSA-N 1 0 402.441 4.276 20 30 HIEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2Oc2ccccc2C#N)[C@H](C)C1 ZINC000537574497 938327958 /nfs/dbraw/zinc/32/79/58/938327958.db2.gz PCCAGDRONLNBLX-KNQAVFIVSA-N 1 0 421.541 4.217 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@H](C)C3(CCC3)C2)c1C#N ZINC000537842042 938387037 /nfs/dbraw/zinc/38/70/37/938387037.db2.gz VNNHFYOFCSGLRG-KRWDZBQOSA-N 1 0 408.546 4.459 20 30 HIEDRO C[C@@H](Cc1ccccc1)n1cccc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000538008259 938459459 /nfs/dbraw/zinc/45/94/59/938459459.db2.gz IEGKANAXGZHNEE-NRFANRHFSA-N 1 0 414.553 4.367 20 30 HIEDRO CC[N@H+](CCC1CCN(C(=O)CSCc2ccc(C#N)cc2)CC1)CC(C)C ZINC000538033884 938474731 /nfs/dbraw/zinc/47/47/31/938474731.db2.gz NMIPMFFUFATXSN-UHFFFAOYSA-N 1 0 401.620 4.398 20 30 HIEDRO C[C@H](Nc1cccc(CC[N@H+](C)C2CC2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000538138663 938517000 /nfs/dbraw/zinc/51/70/00/938517000.db2.gz DRGAKMSXRRDRQA-HNNXBMFYSA-N 1 0 408.571 4.184 20 30 HIEDRO COc1cc([C@@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)ccc1OCc1ccccc1 ZINC000538150760 938523244 /nfs/dbraw/zinc/52/32/44/938523244.db2.gz LSHDQFSXFHIXKI-LJQANCHMSA-N 1 0 421.541 4.267 20 30 HIEDRO Cc1oc(NC(=O)C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)c(C#N)c1C ZINC000538153518 938525408 /nfs/dbraw/zinc/52/54/08/938525408.db2.gz TVEGQAZUQAIMRY-MRXNPFEDSA-N 1 0 404.470 4.031 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1cccc(N2CCCC2=O)c1 ZINC000538210562 938557540 /nfs/dbraw/zinc/55/75/40/938557540.db2.gz KJCWKCCKQIGTQV-QGZVFWFLSA-N 1 0 424.932 4.064 20 30 HIEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)c1C#N ZINC000538275755 938581243 /nfs/dbraw/zinc/58/12/43/938581243.db2.gz KLHMIEOYSMXVJK-JOCHJYFZSA-N 1 0 418.545 4.015 20 30 HIEDRO COc1ccc(C[NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)cc1OCCCC#N ZINC000538396259 938610687 /nfs/dbraw/zinc/61/06/87/938610687.db2.gz MOLVVUIIZWWELZ-UHFFFAOYSA-N 1 0 421.541 4.294 20 30 HIEDRO C[C@H]([NH2+]Cc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1ccc(C#N)cc1 ZINC000538397256 938610778 /nfs/dbraw/zinc/61/07/78/938610778.db2.gz WJZYKKMMLQLXAP-IBGZPJMESA-N 1 0 415.516 4.270 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3nc4ccccc4n3C(F)F)CC2)cc1 ZINC000538406392 938612855 /nfs/dbraw/zinc/61/28/55/938612855.db2.gz CPNLQJZVKVYGPZ-UHFFFAOYSA-N 1 0 409.484 4.100 20 30 HIEDRO N#CCCn1cc(C[NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)c(-c2ccccc2)n1 ZINC000538499267 938636174 /nfs/dbraw/zinc/63/61/74/938636174.db2.gz DWPXEYNDPOBDKT-OAQYLSRUSA-N 1 0 405.933 4.486 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cccc(I)c3)CC2)cc1 ZINC000538619798 938663383 /nfs/dbraw/zinc/66/33/83/938663383.db2.gz YJLJPNCEOWRLBI-UHFFFAOYSA-N 1 0 417.294 4.239 20 30 HIEDRO COc1ccc(C[NH+]2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)cc1C#N ZINC000538638262 938669818 /nfs/dbraw/zinc/66/98/18/938669818.db2.gz WGTJGVQDDPUOPR-UHFFFAOYSA-N 1 0 420.431 4.035 20 30 HIEDRO CCc1nc2ccccc2n1C1CC[NH+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000538956878 938749333 /nfs/dbraw/zinc/74/93/33/938749333.db2.gz BOAUAZGDKYLESB-UHFFFAOYSA-N 1 0 407.543 4.198 20 30 HIEDRO CCc1nc2ccccc2n1C1CC[NH+](CCC(=O)Nc2ccc(C#N)cc2)CC1 ZINC000538958180 938749955 /nfs/dbraw/zinc/74/99/55/938749955.db2.gz IZPYBVPSZWDEBO-UHFFFAOYSA-N 1 0 401.514 4.136 20 30 HIEDRO N#Cc1ccc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc1C(F)(F)F ZINC000539010045 938767798 /nfs/dbraw/zinc/76/77/98/938767798.db2.gz YXLHZHKHJGIUIG-UHFFFAOYSA-N 1 0 403.408 4.010 20 30 HIEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(OCc2cccnc2)cc1 ZINC000539226936 938821796 /nfs/dbraw/zinc/82/17/96/938821796.db2.gz QFFYQVUTASYQBM-FQEVSTJZSA-N 1 0 414.509 4.258 20 30 HIEDRO COc1cccc([C@H](C)[NH2+]CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)c1 ZINC000539229390 938822313 /nfs/dbraw/zinc/82/23/13/938822313.db2.gz HIGMGPMGKFXWMJ-KRWDZBQOSA-N 1 0 420.513 4.306 20 30 HIEDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1OC ZINC000539269162 938830639 /nfs/dbraw/zinc/83/06/39/938830639.db2.gz SHXBNABKIFZPNF-POTGORPSSA-N 1 0 401.551 4.064 20 30 HIEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000539276996 938831800 /nfs/dbraw/zinc/83/18/00/938831800.db2.gz QDNUBEVVECHQPX-WOGXIUBCSA-N 1 0 424.520 4.172 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000539293749 938835267 /nfs/dbraw/zinc/83/52/67/938835267.db2.gz XEFIJLZRMTVRKT-LYHRCORUSA-N 1 0 409.555 4.244 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000539299488 938836479 /nfs/dbraw/zinc/83/64/79/938836479.db2.gz UDRGKHQXNMPNIQ-IRXDYDNUSA-N 1 0 402.560 4.328 20 30 HIEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[NH2+][C@H](C)c2ccccc2)cc1 ZINC000539302772 938836997 /nfs/dbraw/zinc/83/69/97/938836997.db2.gz WBITXEAXHWSZMM-QGZVFWFLSA-N 1 0 402.498 4.264 20 30 HIEDRO COC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(F)cc1 ZINC000539380258 938851802 /nfs/dbraw/zinc/85/18/02/938851802.db2.gz OVJZGIGHCGQNPT-IBGZPJMESA-N 1 0 415.534 4.334 20 30 HIEDRO C=CC[N@H+](Cc1ccc(OC(F)F)c(F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539832464 938952253 /nfs/dbraw/zinc/95/22/53/938952253.db2.gz SPMOACSJBOSWCU-AWEZNQCLSA-N 1 0 403.408 4.152 20 30 HIEDRO COc1ccc(C[N@H+](CC(=O)NCc2ccc(C#N)cc2)C2CCCCC2)cc1OC ZINC000539885248 938965609 /nfs/dbraw/zinc/96/56/09/938965609.db2.gz GUBYVUVWVOECPD-UHFFFAOYSA-N 1 0 421.541 4.027 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)CC1 ZINC000540174858 939104210 /nfs/dbraw/zinc/10/42/10/939104210.db2.gz QOGJRMCMFCVKHJ-UHFFFAOYSA-N 1 0 408.590 4.487 20 30 HIEDRO CCN(C(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C#N)c(Cl)c1 ZINC000540273853 939179539 /nfs/dbraw/zinc/17/95/39/939179539.db2.gz YTSCVTMKPNXYEL-UHFFFAOYSA-N 1 0 410.949 4.167 20 30 HIEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000540323976 939194411 /nfs/dbraw/zinc/19/44/11/939194411.db2.gz NBUFAYLJJQEGAS-SFHVURJKSA-N 1 0 411.521 4.082 20 30 HIEDRO Cn1cc([C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C(C)(C)C)cn1 ZINC000540477191 939268116 /nfs/dbraw/zinc/26/81/16/939268116.db2.gz PIGRUNYDRTYPPW-HXUWFJFHSA-N 1 0 413.591 4.328 20 30 HIEDRO C[C@@H]1C[C@@H]1[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000540522554 939286601 /nfs/dbraw/zinc/28/66/01/939286601.db2.gz WGWYNQXJVLHNKX-PDXHDDNESA-N 1 0 419.916 4.323 20 30 HIEDRO C[C@@H]([NH2+]Cc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1cccc(C#N)c1 ZINC000540597334 939314739 /nfs/dbraw/zinc/31/47/39/939314739.db2.gz MGYHUETXFOXRAK-LJQANCHMSA-N 1 0 415.516 4.270 20 30 HIEDRO C[C@H]([NH2+]C[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1)c1cccc(C#N)c1 ZINC000540596189 939315319 /nfs/dbraw/zinc/31/53/19/939315319.db2.gz BCHAHJYPDYVNMD-VWKPWSFCSA-N 1 0 401.913 4.463 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000540605561 939317440 /nfs/dbraw/zinc/31/74/40/939317440.db2.gz AYIPPYGWUCKXBZ-GOTSBHOMSA-N 1 0 413.924 4.435 20 30 HIEDRO CN1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000540606743 939318278 /nfs/dbraw/zinc/31/82/78/939318278.db2.gz RYAGWEQFSSKWQY-BJKOFHAPSA-N 1 0 408.977 4.211 20 30 HIEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540741290 939355123 /nfs/dbraw/zinc/35/51/23/939355123.db2.gz HTHOAWJPZKALQY-LAUBAEHRSA-N 1 0 411.908 4.457 20 30 HIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1 ZINC000541027752 939435168 /nfs/dbraw/zinc/43/51/68/939435168.db2.gz KUJQOBCYDZTBEI-FZQSFKQPSA-N 1 0 407.562 4.151 20 30 HIEDRO COc1ccc(COC[C@H](O)C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 ZINC000541086359 939455184 /nfs/dbraw/zinc/45/51/84/939455184.db2.gz VYLFUIAFHAQHNN-UQBPGWFLSA-N 1 0 416.521 4.462 20 30 HIEDRO C[C@@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541117057 939465993 /nfs/dbraw/zinc/46/59/93/939465993.db2.gz GEJUWCKGUZSSLR-UZUQRXQVSA-N 1 0 408.571 4.023 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000541118614 939467174 /nfs/dbraw/zinc/46/71/74/939467174.db2.gz SZQGXFYXVFYXPC-GWZHAIQQSA-N 1 0 411.571 4.027 20 30 HIEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541158972 939480941 /nfs/dbraw/zinc/48/09/41/939480941.db2.gz QCIWCNFXGGXOGR-NTKDMRAZSA-N 1 0 420.557 4.038 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541176232 939484372 /nfs/dbraw/zinc/48/43/72/939484372.db2.gz ZMYHOBNNOKIGSP-IRXDYDNUSA-N 1 0 405.523 4.284 20 30 HIEDRO C[C@@H](C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1nccs1 ZINC000541379520 939501366 /nfs/dbraw/zinc/50/13/66/939501366.db2.gz RNQUUXXKHFPHSH-KBPBESRZSA-N 1 0 402.589 4.265 20 30 HIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@H](c2cccnc2)C2CC2)c1C#N ZINC000541590716 939561931 /nfs/dbraw/zinc/56/19/31/939561931.db2.gz LDYSTJWNWGOYOJ-DEOSSOPVSA-N 1 0 413.525 4.099 20 30 HIEDRO COc1cc(C[NH2+][C@H](CC(N)=O)C2CCCCC2)ccc1OCc1cccc(C#N)c1 ZINC000541636803 939579738 /nfs/dbraw/zinc/57/97/38/939579738.db2.gz FIXJNEMGLPVLKD-JOCHJYFZSA-N 1 0 421.541 4.060 20 30 HIEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)Nc1sccc1C#N ZINC000541654087 939589360 /nfs/dbraw/zinc/58/93/60/939589360.db2.gz ACCUGACRXVGIRQ-NSHDSACASA-N 1 0 400.504 4.480 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000541692417 939606238 /nfs/dbraw/zinc/60/62/38/939606238.db2.gz YOSBBFGAEGOGQA-NDHIBRFCSA-N 1 0 409.555 4.420 20 30 HIEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](C)[C@H]2COc3ccccc32)c1C#N ZINC000541699096 939608011 /nfs/dbraw/zinc/60/80/11/939608011.db2.gz LKRQNCAALQXFJA-HTAPYJJXSA-N 1 0 414.509 4.059 20 30 HIEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](C)[C@@H]2COc3ccccc32)c1C#N ZINC000541699099 939608087 /nfs/dbraw/zinc/60/80/87/939608087.db2.gz LKRQNCAALQXFJA-VGSWGCGISA-N 1 0 414.509 4.059 20 30 HIEDRO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541700973 939608822 /nfs/dbraw/zinc/60/88/22/939608822.db2.gz BACRHHMWTZXVKQ-UYAOXDASSA-N 1 0 401.869 4.141 20 30 HIEDRO CCOCCOCc1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1C ZINC000541903208 939650514 /nfs/dbraw/zinc/65/05/14/939650514.db2.gz PSLIDPGCVZMPRG-UHFFFAOYSA-N 1 0 407.558 4.496 20 30 HIEDRO Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000541943800 939659671 /nfs/dbraw/zinc/65/96/71/939659671.db2.gz FXYCYAVZPIZAHH-UHFFFAOYSA-N 1 0 409.317 4.264 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000541966317 939665115 /nfs/dbraw/zinc/66/51/15/939665115.db2.gz XEGFRZPDNOMGHQ-ICSRJNTNSA-N 1 0 422.495 4.424 20 30 HIEDRO CC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1c(C)nn(C)c1C ZINC000542528453 939837610 /nfs/dbraw/zinc/83/76/10/939837610.db2.gz SBWVSPVQEREIII-SFHVURJKSA-N 1 0 413.591 4.309 20 30 HIEDRO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)C[NH+]1CCC(CC#N)CC1 ZINC000542882509 939865087 /nfs/dbraw/zinc/86/50/87/939865087.db2.gz DRVBKGNLZJZHFK-IBGZPJMESA-N 1 0 418.541 4.084 20 30 HIEDRO CCc1ccc([C@@H](CO)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000542914397 939876711 /nfs/dbraw/zinc/87/67/11/939876711.db2.gz UTLNHVIXGXWNQH-HXUWFJFHSA-N 1 0 411.571 4.103 20 30 HIEDRO C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)s1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542924299 939878645 /nfs/dbraw/zinc/87/86/45/939878645.db2.gz LXMQJUDGWLXFEH-QGZVFWFLSA-N 1 0 404.539 4.369 20 30 HIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)cc1 ZINC000543138103 939966350 /nfs/dbraw/zinc/96/63/50/939966350.db2.gz GKFBZSJIFSFAFA-QFIPXVFZSA-N 1 0 423.438 4.430 20 30 HIEDRO C[C@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000543363071 940042138 /nfs/dbraw/zinc/04/21/38/940042138.db2.gz UQVYCALZJNUTAZ-WMZHIEFXSA-N 1 0 402.542 4.285 20 30 HIEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)Nc3ccc(C#N)cc3)s2)cc1 ZINC000543497839 940085501 /nfs/dbraw/zinc/08/55/01/940085501.db2.gz UQZIXJIHWCGXGE-AWEZNQCLSA-N 1 0 406.511 4.288 20 30 HIEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000543515716 940092185 /nfs/dbraw/zinc/09/21/85/940092185.db2.gz JMZLRPBSXSSNKF-MPBGBICISA-N 1 0 402.951 4.231 20 30 HIEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000543515718 940092263 /nfs/dbraw/zinc/09/22/63/940092263.db2.gz JMZLRPBSXSSNKF-ODXCJYRJSA-N 1 0 402.951 4.231 20 30 HIEDRO C=CCn1c(-c2ncccc2C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000563780432 945300843 /nfs/dbraw/zinc/30/08/43/945300843.db2.gz GODLNSGSMLFILG-RBBKRZOGSA-N 1 0 416.573 4.324 20 30 HIEDRO CCCN1c2ccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2CCC1=O ZINC000543768152 940180164 /nfs/dbraw/zinc/18/01/64/940180164.db2.gz BSQZSKPULBUULN-UHFFFAOYSA-N 1 0 402.542 4.324 20 30 HIEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000543885582 940225678 /nfs/dbraw/zinc/22/56/78/940225678.db2.gz AVMLZZZAHIUROU-INIZCTEOSA-N 1 0 414.941 4.031 20 30 HIEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)n2)c(F)c1 ZINC000543892025 940229790 /nfs/dbraw/zinc/22/97/90/940229790.db2.gz FHRMIGAGUURCSW-IBGZPJMESA-N 1 0 424.524 4.003 20 30 HIEDRO Cn1cc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000544031465 940304988 /nfs/dbraw/zinc/30/49/88/940304988.db2.gz IPCDJKFDUFBBJB-GOSISDBHSA-N 1 0 414.435 4.011 20 30 HIEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)c(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000544412042 940416694 /nfs/dbraw/zinc/41/66/94/940416694.db2.gz MWTIROZQRZMEPT-LIRRHRJNSA-N 1 0 406.288 4.427 20 30 HIEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000544412038 940416745 /nfs/dbraw/zinc/41/67/45/940416745.db2.gz MWTIROZQRZMEPT-IFXJQAMLSA-N 1 0 406.288 4.427 20 30 HIEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1ccccc1C(F)(F)F ZINC000544460122 940440376 /nfs/dbraw/zinc/44/03/76/940440376.db2.gz ZCDLQNSOOKRJMQ-LSDHHAIUSA-N 1 0 410.461 4.133 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H](C)[C@@H]2COc3ccccc32)c1C#N ZINC000544531918 940473309 /nfs/dbraw/zinc/47/33/09/940473309.db2.gz RDSOLLSVIANIPH-IERDGZPVSA-N 1 0 406.530 4.185 20 30 HIEDRO C=CCc1cc(C(=O)N(CC)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000544851164 940519099 /nfs/dbraw/zinc/51/90/99/940519099.db2.gz OUCWQFPUTXPDIN-JOCHJYFZSA-N 1 0 408.542 4.169 20 30 HIEDRO CS[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H]1[NH+]1CCCC1 ZINC000545332459 940562218 /nfs/dbraw/zinc/56/22/18/940562218.db2.gz NIODXPAEIGBTSL-YADHBBJMSA-N 1 0 407.539 4.002 20 30 HIEDRO COc1ccc2cc([C@H](C)C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)ccc2c1 ZINC000547434503 941062603 /nfs/dbraw/zinc/06/26/03/941062603.db2.gz KHCOUPOECLBGRY-IBGZPJMESA-N 1 0 415.537 4.414 20 30 HIEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(Sc3ccc(Cl)cc3)o2)c1C#N ZINC000547853130 941078554 /nfs/dbraw/zinc/07/85/54/941078554.db2.gz UPTVRVKHTIAJJI-UHFFFAOYSA-N 1 0 415.906 4.083 20 30 HIEDRO N#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1Cl ZINC000547976677 941081716 /nfs/dbraw/zinc/08/17/16/941081716.db2.gz RAMZVBFKZRNBII-QGZVFWFLSA-N 1 0 407.823 4.235 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000548612123 941114998 /nfs/dbraw/zinc/11/49/98/941114998.db2.gz WMYCJDOMPBEKSN-UHFFFAOYSA-N 1 0 409.839 4.434 20 30 HIEDRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)[N@@H+]2CCC(C#N)(c2ccccc2)c2ccccc2)O1 ZINC000548934636 941130565 /nfs/dbraw/zinc/13/05/65/941130565.db2.gz MNBFOJPWGRTNFB-JFTIXFDTSA-N 1 0 418.537 4.070 20 30 HIEDRO C[C@H]([NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000548936509 941130884 /nfs/dbraw/zinc/13/08/84/941130884.db2.gz GHDWZDMREUWNRO-HNNXBMFYSA-N 1 0 401.432 4.419 20 30 HIEDRO Cc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c(-c2ccnn2C)c1 ZINC000549247218 941173955 /nfs/dbraw/zinc/17/39/55/941173955.db2.gz JZSMGQMYRPIYLB-UHFFFAOYSA-N 1 0 401.514 4.142 20 30 HIEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)c1 ZINC000549408974 941186946 /nfs/dbraw/zinc/18/69/46/941186946.db2.gz QSQHTOBJFRYTBV-LJQANCHMSA-N 1 0 408.445 4.092 20 30 HIEDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000549528035 941198122 /nfs/dbraw/zinc/19/81/22/941198122.db2.gz PQYRQGFJSQLSTO-QTLCSOKXSA-N 1 0 413.587 4.153 20 30 HIEDRO CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000549541981 941198812 /nfs/dbraw/zinc/19/88/12/941198812.db2.gz JIMWLLZMSSEUBJ-DNVCBOLYSA-N 1 0 416.447 4.270 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000549685257 941204405 /nfs/dbraw/zinc/20/44/05/941204405.db2.gz HXKCGVPITVNXAM-OAQYLSRUSA-N 1 0 411.594 4.218 20 30 HIEDRO Fc1ccc(CC2([NH2+]CC#Cc3ccc(OC(F)(F)F)cc3)CCOCC2)cc1 ZINC000550179917 941294765 /nfs/dbraw/zinc/29/47/65/941294765.db2.gz XYXQKROWHSLXPF-UHFFFAOYSA-N 1 0 407.407 4.457 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[NH2+]C2(Cc3ccc(F)cc3Cl)CCOCC2)cc1 ZINC000550409458 941323284 /nfs/dbraw/zinc/32/32/84/941323284.db2.gz IKUSZONYNYUIQL-UHFFFAOYSA-N 1 0 415.896 4.061 20 30 HIEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000551412999 941473684 /nfs/dbraw/zinc/47/36/84/941473684.db2.gz DEGYYKPCHKBHGT-OAHLLOKOSA-N 1 0 420.485 4.255 20 30 HIEDRO N#Cc1cccc(C2([NH2+]CC(=O)NCCC(c3ccccc3)c3ccccc3)CC2)c1 ZINC000551713107 941531516 /nfs/dbraw/zinc/53/15/16/941531516.db2.gz XQTKQESCLXQPIQ-UHFFFAOYSA-N 1 0 409.533 4.475 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)[C@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)CC2)cc1 ZINC000552125160 941589605 /nfs/dbraw/zinc/58/96/05/941589605.db2.gz LFCVRTAPPKALPM-HSZRJFAPSA-N 1 0 421.491 4.331 20 30 HIEDRO CC1CC[NH+](C[C@@H]2CCCN(c3c(C#N)cnc4c(F)c(F)c(F)cc43)C2)CC1 ZINC000552998163 941813338 /nfs/dbraw/zinc/81/33/38/941813338.db2.gz VBOBORQDGARVRL-HNNXBMFYSA-N 1 0 402.464 4.472 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1Cl ZINC000553059347 941825934 /nfs/dbraw/zinc/82/59/34/941825934.db2.gz GNHRARYIQBELFD-UHFFFAOYSA-N 1 0 403.313 4.016 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(COCc3ccc(OC)cc3)c2)CC1 ZINC000553158900 941842294 /nfs/dbraw/zinc/84/22/94/941842294.db2.gz URMLOCBGZHPHGX-UHFFFAOYSA-N 1 0 409.530 4.184 20 30 HIEDRO N#CCC[C@@H](NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000553681720 941943207 /nfs/dbraw/zinc/94/32/07/941943207.db2.gz YNJGYOSEDUCZJO-ILBGXUMGSA-N 1 0 402.542 4.339 20 30 HIEDRO CC(C)N(CC[NH+]1CCCCCC1)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000553937937 942002881 /nfs/dbraw/zinc/00/28/81/942002881.db2.gz MSDPAMRRVITSQV-HXUWFJFHSA-N 1 0 416.635 4.463 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)CC1 ZINC000554376288 942117830 /nfs/dbraw/zinc/11/78/30/942117830.db2.gz MUDZGMCQVHSKEJ-OBXNSHGQSA-N 1 0 407.480 4.314 20 30 HIEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000554644992 942185375 /nfs/dbraw/zinc/18/53/75/942185375.db2.gz PFAVWIKNEYRJDU-SFHVURJKSA-N 1 0 415.557 4.300 20 30 HIEDRO CCc1ccc(-c2noc([C@@H](C)[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)n2)cc1 ZINC000554866735 942300197 /nfs/dbraw/zinc/30/01/97/942300197.db2.gz KNRAIAWJZWUJAK-QGZVFWFLSA-N 1 0 401.514 4.490 20 30 HIEDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)cc1F ZINC000555007563 942353248 /nfs/dbraw/zinc/35/32/48/942353248.db2.gz NYPBSKJZPKDPMP-UHFFFAOYSA-N 1 0 419.460 4.268 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@H]1c2ccccc2CC12CCOCC2)C(C)C ZINC000555167373 942413690 /nfs/dbraw/zinc/41/36/90/942413690.db2.gz CUZVAPYEERIECO-GOTSBHOMSA-N 1 0 411.590 4.078 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N[C@@H]1c2ccccc2CC12CCOCC2)C(C)C ZINC000555167375 942413872 /nfs/dbraw/zinc/41/38/72/942413872.db2.gz CUZVAPYEERIECO-XZOQPEGZSA-N 1 0 411.590 4.078 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000555263686 942452686 /nfs/dbraw/zinc/45/26/86/942452686.db2.gz OFNIMJXBUHUYKM-PMVMPFDFSA-N 1 0 423.605 4.268 20 30 HIEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000555264794 942453073 /nfs/dbraw/zinc/45/30/73/942453073.db2.gz CZHNDXVPWLCHAW-LJQANCHMSA-N 1 0 404.562 4.238 20 30 HIEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000555266167 942454425 /nfs/dbraw/zinc/45/44/25/942454425.db2.gz WHNYLSUPGZFOKY-OAQYLSRUSA-N 1 0 422.621 4.321 20 30 HIEDRO C=CC[N@H+](Cc1ccc(C)cc1-c1cnn(C)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000555335701 942481336 /nfs/dbraw/zinc/48/13/36/942481336.db2.gz WQZXGADJWYRZTM-LJQANCHMSA-N 1 0 413.529 4.120 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000556104752 942805941 /nfs/dbraw/zinc/80/59/41/942805941.db2.gz KAILZSUGNCOZOT-KNQAVFIVSA-N 1 0 417.525 4.216 20 30 HIEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000556514268 942889963 /nfs/dbraw/zinc/88/99/63/942889963.db2.gz ZTHAWGWODJNSDR-GOSISDBHSA-N 1 0 423.460 4.335 20 30 HIEDRO CCC[N@H+](C)[C@@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000556927027 942969377 /nfs/dbraw/zinc/96/93/77/942969377.db2.gz KURPGNNEJZPALT-KRWDZBQOSA-N 1 0 424.854 4.438 20 30 HIEDRO C=CCOc1ccc(C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1OC ZINC000557024121 942997492 /nfs/dbraw/zinc/99/74/92/942997492.db2.gz QAEFXZFYWOEIGF-UHFFFAOYSA-N 1 0 420.553 4.388 20 30 HIEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000558617845 943618595 /nfs/dbraw/zinc/61/85/95/943618595.db2.gz PQBOTIXZKIYTNQ-QGZVFWFLSA-N 1 0 404.986 4.055 20 30 HIEDRO Cc1cccc(COc2ccc(C[NH2+]CCS(=O)(=O)c3cccc(C#N)c3)cc2)c1 ZINC000558718030 943632054 /nfs/dbraw/zinc/63/20/54/943632054.db2.gz CIVYFPMXKYISOF-UHFFFAOYSA-N 1 0 420.534 4.009 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)c1ccc(C#N)cc1 ZINC000558740673 943636888 /nfs/dbraw/zinc/63/68/88/943636888.db2.gz DDVBHFXFZPHESV-QGZVFWFLSA-N 1 0 401.514 4.331 20 30 HIEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cscc2C#N)CC1 ZINC000559541720 943998387 /nfs/dbraw/zinc/99/83/87/943998387.db2.gz QITXIDFOSLIKKY-UHFFFAOYSA-N 1 0 407.461 4.375 20 30 HIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cnc(-c4ccc(Cl)cc4)s3)C2=O)cc1 ZINC000560077992 944150899 /nfs/dbraw/zinc/15/08/99/944150899.db2.gz KVCHYVSEQDRQRB-HXUWFJFHSA-N 1 0 422.941 4.226 20 30 HIEDRO CC(C)[NH+](CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C(C)C ZINC000560988478 944387669 /nfs/dbraw/zinc/38/76/69/944387669.db2.gz LSBHEERNEQOWKP-UHFFFAOYSA-N 1 0 404.986 4.053 20 30 HIEDRO N#CCc1cccc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000561075719 944430721 /nfs/dbraw/zinc/43/07/21/944430721.db2.gz UYQUUDWLVJUIOH-AREMUKBSSA-N 1 0 424.548 4.455 20 30 HIEDRO CCN(CC[NH+]1CCCCCC1)CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000561901217 944846268 /nfs/dbraw/zinc/84/62/68/944846268.db2.gz SMDLJPULGYNSGD-IBGZPJMESA-N 1 0 402.608 4.217 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)C2CCC(F)(F)CC2)c1C#N ZINC000561962054 944876884 /nfs/dbraw/zinc/87/68/84/944876884.db2.gz UBENCIZVLTXJPY-UHFFFAOYSA-N 1 0 404.461 4.066 20 30 HIEDRO C=CCn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000562024256 944899367 /nfs/dbraw/zinc/89/93/67/944899367.db2.gz GYTXIYATVSFLDH-KRWDZBQOSA-N 1 0 403.983 4.083 20 30 HIEDRO C=CCn1c(COc2ccccc2CC)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000562027844 944901715 /nfs/dbraw/zinc/90/17/15/944901715.db2.gz WLBBQLWCMHRWBY-UHFFFAOYSA-N 1 0 409.578 4.060 20 30 HIEDRO COc1ccc(C2(C[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)CCOCC2)cc1 ZINC000562068611 944920516 /nfs/dbraw/zinc/92/05/16/944920516.db2.gz XHGYPSOLOIJEBU-UHFFFAOYSA-N 1 0 404.432 4.424 20 30 HIEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccco1 ZINC000562086304 944930115 /nfs/dbraw/zinc/93/01/15/944930115.db2.gz ATXQMJJPANAHBX-BBRMVZONSA-N 1 0 424.423 4.343 20 30 HIEDRO CN(C(=O)c1ccc(NCc2cccc(OCCCC#N)c2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000564194423 945428748 /nfs/dbraw/zinc/42/87/48/945428748.db2.gz USBUROFWZGPPNN-QHCPKHFHSA-N 1 0 420.557 4.147 20 30 HIEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000564375346 945540545 /nfs/dbraw/zinc/54/05/45/945540545.db2.gz DCBISSAVAQCWKE-VGOFRKELSA-N 1 0 404.562 4.154 20 30 HIEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000564375341 945540763 /nfs/dbraw/zinc/54/07/63/945540763.db2.gz DCBISSAVAQCWKE-JTSKRJEESA-N 1 0 404.562 4.154 20 30 HIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCN(Cc3cccc(C(F)(F)F)c3)C1=O)CC2 ZINC000564433085 945580091 /nfs/dbraw/zinc/58/00/91/945580091.db2.gz HINSOVCZFYLYBH-NHCUHLMSSA-N 1 0 413.443 4.345 20 30 HIEDRO CC(C)(C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cc(F)cc(C#N)c1 ZINC000564603266 945699941 /nfs/dbraw/zinc/69/99/41/945699941.db2.gz HLDWZHDBZHHLNX-FQEVSTJZSA-N 1 0 407.533 4.393 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)ccc1Cl ZINC000565742965 945878038 /nfs/dbraw/zinc/87/80/38/945878038.db2.gz IQTKGXHYELVJPA-QFIPXVFZSA-N 1 0 413.949 4.245 20 30 HIEDRO C[C@H](NC(=O)[C@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000566702155 946075670 /nfs/dbraw/zinc/07/56/70/946075670.db2.gz XKBHJNJDROCAPO-ROUUACIJSA-N 1 0 405.498 4.019 20 30 HIEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000567202563 946270312 /nfs/dbraw/zinc/27/03/12/946270312.db2.gz VHJBASFOSQGVCE-HXUWFJFHSA-N 1 0 410.489 4.315 20 30 HIEDRO N#CCCN(C(=O)C[NH2+][C@H]1c2ccccc2CC12CCOCC2)c1cccc(Cl)c1 ZINC000567969650 946434055 /nfs/dbraw/zinc/43/40/55/946434055.db2.gz MCBYERRDNLHMGO-QHCPKHFHSA-N 1 0 423.944 4.270 20 30 HIEDRO COc1cc(C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)ccc1C#N ZINC000569396814 946866934 /nfs/dbraw/zinc/86/69/34/946866934.db2.gz OTAAYYGBUHWNTO-UHFFFAOYSA-N 1 0 400.404 4.120 20 30 HIEDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(C#N)c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570131288 947111434 /nfs/dbraw/zinc/11/14/34/947111434.db2.gz JGYSADGDRZRWGT-IFXJQAMLSA-N 1 0 404.848 4.304 20 30 HIEDRO C[C@H]1[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000570425942 947238246 /nfs/dbraw/zinc/23/82/46/947238246.db2.gz HIAOHPUPZTUMOT-MBSDFSHPSA-N 1 0 415.493 4.123 20 30 HIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000571986778 947826582 /nfs/dbraw/zinc/82/65/82/947826582.db2.gz QOIJYLWPKQSBNC-PEVILPJXSA-N 1 0 423.532 4.402 20 30 HIEDRO C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)Oc1cccc(Br)c1 ZINC000572065944 947837993 /nfs/dbraw/zinc/83/79/93/947837993.db2.gz IBZZZLVZBOZPRN-MRXNPFEDSA-N 1 0 414.347 4.347 20 30 HIEDRO COCc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2cc(F)ccc2n1 ZINC000573052205 948072002 /nfs/dbraw/zinc/07/20/02/948072002.db2.gz UGPDFWOTOLVZSR-UHFFFAOYSA-N 1 0 404.489 4.104 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1COc2ccccc21 ZINC000573224157 948109986 /nfs/dbraw/zinc/10/99/86/948109986.db2.gz UQBFJZNHWQBOSO-VCBZYWHSSA-N 1 0 409.555 4.370 20 30 HIEDRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)n1 ZINC000573531817 948233821 /nfs/dbraw/zinc/23/38/21/948233821.db2.gz DFRFGWQJNJBQPC-QGZVFWFLSA-N 1 0 402.420 4.131 20 30 HIEDRO CC1CCC([NH+]2CCN(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)CC2)CC1 ZINC000573851439 948309981 /nfs/dbraw/zinc/30/99/81/948309981.db2.gz QCOZUTLSNREQDG-UHFFFAOYSA-N 1 0 419.529 4.474 20 30 HIEDRO C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[N@@H+](CC)CC1 ZINC000574726498 948513878 /nfs/dbraw/zinc/51/38/78/948513878.db2.gz XWRPPHWKQIJZLN-UHFFFAOYSA-N 1 0 408.575 4.095 20 30 HIEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164628528 719080713 /nfs/dbraw/zinc/08/07/13/719080713.db2.gz SGSKYSGJJFCYMS-VQIMIIECSA-N 1 0 402.876 4.252 20 30 HIEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)cc(C)c2C#N)CC3)cs1 ZINC001164691469 719804150 /nfs/dbraw/zinc/80/41/50/719804150.db2.gz HRZPCIGGNAUGMV-UHFFFAOYSA-N 1 0 401.967 4.315 20 30 HIEDRO Cc1ccc2nc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c(C#N)c(Cl)c2c1 ZINC001164729035 720488752 /nfs/dbraw/zinc/48/87/52/720488752.db2.gz QRTXCQCKMFWONZ-RTWAWAEBSA-N 1 0 403.917 4.317 20 30 HIEDRO Cc1c(Cl)c(Cl)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1C#N ZINC001164857009 720939894 /nfs/dbraw/zinc/93/98/94/720939894.db2.gz FBXRXMPJMNDFER-ZDUSSCGKSA-N 1 0 407.349 4.186 20 30 HIEDRO N#Cc1cc(Cl)c(Cl)nc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164953641 722017778 /nfs/dbraw/zinc/01/77/78/722017778.db2.gz WNJKSHZACUBBGG-UHFFFAOYSA-N 1 0 402.329 4.148 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccc(C)cc2C)[n+]2cccc(CO)c2)c(C)n1C ZINC000010168694 845625970 /nfs/dbraw/zinc/62/59/70/845625970.db2.gz QTICXKIUFMMFRS-UHFFFAOYSA-O 1 0 422.574 4.089 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCOc3ccccc3F)sc2C1 ZINC000014079384 845924226 /nfs/dbraw/zinc/92/42/26/845924226.db2.gz NLOSGUHBHSYBBF-HNNXBMFYSA-N 1 0 415.534 4.223 20 30 HIEDRO CCc1ccccc1NC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccccc1 ZINC000014871837 845988173 /nfs/dbraw/zinc/98/81/73/845988173.db2.gz IDJDQGGRAGCKID-UHFFFAOYSA-O 1 0 406.487 4.496 20 30 HIEDRO CCCc1cc[n+](C(C(=O)c2cc(C)sc2C)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000022692245 846605245 /nfs/dbraw/zinc/60/52/45/846605245.db2.gz UPVIYUFHJKEZHV-SFHVURJKSA-O 1 0 417.620 4.312 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(Br)cc1)[n+]1cccc(C)c1 ZINC000022797215 846621810 /nfs/dbraw/zinc/62/18/10/846621810.db2.gz DGFSUYUKSVHUJM-UHFFFAOYSA-O 1 0 404.353 4.150 20 30 HIEDRO COCCNC(=S)C(C(=O)c1cc(C)c(C)cc1C)[n+]1ccc(C(C)(C)C)cc1 ZINC000022793220 846621918 /nfs/dbraw/zinc/62/19/18/846621918.db2.gz UXIHBGSIDBNFKA-UHFFFAOYSA-O 1 0 413.607 4.372 20 30 HIEDRO CCCNC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc2c(c1)CCCC2 ZINC000022805851 846623641 /nfs/dbraw/zinc/62/36/41/846623641.db2.gz CJTPJLLOXNRRNU-UHFFFAOYSA-O 1 0 412.535 4.008 20 30 HIEDRO CCCNC(=S)C(C(=O)c1ccc(Br)cc1)[n+]1ccccc1CC ZINC000022804835 846623653 /nfs/dbraw/zinc/62/36/53/846623653.db2.gz XZMOZKNOPBEKSU-UHFFFAOYSA-O 1 0 406.369 4.237 20 30 HIEDRO C=CCOc1ccc(/C=C/C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1OC ZINC000024389752 846820117 /nfs/dbraw/zinc/82/01/17/846820117.db2.gz MIEVLWVOQLLJQM-ACCUITESSA-N 1 0 406.526 4.185 20 30 HIEDRO CCOc1cc(C[N@H+](C)CCC(=O)Nc2cccc(C#N)c2)ccc1OC(F)F ZINC000026455554 847153528 /nfs/dbraw/zinc/15/35/28/847153528.db2.gz PNNIOXJNTQVXPW-UHFFFAOYSA-N 1 0 403.429 4.019 20 30 HIEDRO Fc1cc(C[NH2+]CC2CCN(CC(F)(F)F)CC2)ccc1OCC(F)(F)F ZINC000436410878 861760248 /nfs/dbraw/zinc/76/02/48/861760248.db2.gz MSJQEKYISKTDCZ-UHFFFAOYSA-N 1 0 402.354 4.131 20 30 HIEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000028804151 847462833 /nfs/dbraw/zinc/46/28/33/847462833.db2.gz UBOBHUWNZDITAQ-CTIGNXTNSA-N 1 0 402.542 4.332 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000028960465 847484240 /nfs/dbraw/zinc/48/42/40/847484240.db2.gz RKGLFAOCXCOJTL-UHFFFAOYSA-N 1 0 417.340 4.011 20 30 HIEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1Br ZINC000030509582 847724700 /nfs/dbraw/zinc/72/47/00/847724700.db2.gz PVIVCAGEJXBTKW-STQMWFEESA-N 1 0 402.292 4.007 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1C#N ZINC000032762236 848072928 /nfs/dbraw/zinc/07/29/28/848072928.db2.gz HHJWOQVTLWXKBD-SFHVURJKSA-N 1 0 412.584 4.181 20 30 HIEDRO CCNC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(C(CC)CC)cc1 ZINC000032813751 848079613 /nfs/dbraw/zinc/07/96/13/848079613.db2.gz PERZSKFMEGAMCR-UHFFFAOYSA-O 1 0 400.524 4.334 20 30 HIEDRO Cc1ccc(-c2noc([C@@H](C)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n2)cc1F ZINC000042684139 848344003 /nfs/dbraw/zinc/34/40/03/848344003.db2.gz YFVMYGHOGKEPGH-GOSISDBHSA-N 1 0 419.504 4.325 20 30 HIEDRO CC(C)[NH+]1CCC(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000043179378 848394252 /nfs/dbraw/zinc/39/42/52/848394252.db2.gz FSYVVMKZWVMGLG-UHFFFAOYSA-N 1 0 406.530 4.326 20 30 HIEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000046129848 848788791 /nfs/dbraw/zinc/78/87/91/848788791.db2.gz XXEZEKWVNOSNLI-WOJBJXKFSA-N 1 0 404.558 4.378 20 30 HIEDRO CC[NH+](CC)CCn1c(NC(=O)CSCc2ccc(C#N)cc2)nc2ccccc21 ZINC000046913624 848957931 /nfs/dbraw/zinc/95/79/31/848957931.db2.gz VWGYLDHKAHOGLJ-UHFFFAOYSA-N 1 0 421.570 4.122 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)N3CC[NH+](C4CCCC4)CC3)c2)cc1 ZINC000047570390 849073873 /nfs/dbraw/zinc/07/38/73/849073873.db2.gz MALHXDBGDYYXID-UHFFFAOYSA-N 1 0 418.541 4.424 20 30 HIEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2sccc2C#N)CC1 ZINC000052050542 849544265 /nfs/dbraw/zinc/54/42/65/849544265.db2.gz QIFOQETXSLBVDG-UHFFFAOYSA-N 1 0 407.461 4.375 20 30 HIEDRO N#CCc1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2C(F)(F)F)C2CC2)cc1 ZINC000052045862 849544397 /nfs/dbraw/zinc/54/43/97/849544397.db2.gz JZSBKPAFFRMBJS-LJQANCHMSA-N 1 0 404.432 4.176 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713795 849617262 /nfs/dbraw/zinc/61/72/62/849617262.db2.gz MOEZYXLKQNDQKC-QGZVFWFLSA-N 1 0 414.619 4.023 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)C(=S)NC(C)(C)C)cc1 ZINC000055014720 849957031 /nfs/dbraw/zinc/95/70/31/849957031.db2.gz SAHWMLQQRGHOFE-UHFFFAOYSA-O 1 0 400.568 4.011 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000055092635 849968560 /nfs/dbraw/zinc/96/85/60/849968560.db2.gz FMLSMQCXGNEAIM-HSZRJFAPSA-N 1 0 415.493 4.297 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000055375751 850009005 /nfs/dbraw/zinc/00/90/05/850009005.db2.gz PASHXPLGAHCYLB-UONOGXRCSA-N 1 0 411.527 4.295 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1ccccc1C#N ZINC000056144404 850253423 /nfs/dbraw/zinc/25/34/23/850253423.db2.gz VTRFEIUIKGWHCN-ROUUACIJSA-N 1 0 400.482 4.210 20 30 HIEDRO COc1ccccc1[C@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000056931996 850518232 /nfs/dbraw/zinc/51/82/32/850518232.db2.gz ZQDZYPOMEDFFSQ-GCJKJVERSA-N 1 0 406.530 4.154 20 30 HIEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000057153257 850562679 /nfs/dbraw/zinc/56/26/79/850562679.db2.gz YVCFNDJIOVDGEK-UHFFFAOYSA-N 1 0 400.444 4.085 20 30 HIEDRO C=CCOc1ccc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1OC ZINC000058775459 850922204 /nfs/dbraw/zinc/92/22/04/850922204.db2.gz LZBJVQGEQRIWCI-HXUWFJFHSA-N 1 0 414.933 4.480 20 30 HIEDRO C=CCOc1ccc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cc1OC ZINC000058775457 850922421 /nfs/dbraw/zinc/92/24/21/850922421.db2.gz LZBJVQGEQRIWCI-FQEVSTJZSA-N 1 0 414.933 4.480 20 30 HIEDRO CC[N@H+](CC(=O)N(C)Cc1ccccc1Br)[C@H](C)c1ccc(C#N)cc1 ZINC000060477560 851112159 /nfs/dbraw/zinc/11/21/59/851112159.db2.gz NZCZXXVDHRRYDD-MRXNPFEDSA-N 1 0 414.347 4.362 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000060722700 851197287 /nfs/dbraw/zinc/19/72/87/851197287.db2.gz IMWJSPCNFVSBEE-UHFFFAOYSA-N 1 0 421.472 4.073 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(CN3CCO[C@@H](C)C3)c2)ccc1OC ZINC000060949217 851255414 /nfs/dbraw/zinc/25/54/14/851255414.db2.gz UVGBETBUDNPAHY-FQEVSTJZSA-N 1 0 410.558 4.161 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000061191333 851313945 /nfs/dbraw/zinc/31/39/45/851313945.db2.gz GTGDXBBGGHGXHQ-UHFFFAOYSA-N 1 0 406.530 4.128 20 30 HIEDRO C=CCOc1c(Br)cc(CNCCC[NH+]2CCC(C)CC2)cc1OC ZINC000061558255 851404966 /nfs/dbraw/zinc/40/49/66/851404966.db2.gz FGIUOPHTSWUFGS-UHFFFAOYSA-N 1 0 411.384 4.234 20 30 HIEDRO Cc1ccccc1C1(C[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CCOCC1 ZINC000062240082 851513750 /nfs/dbraw/zinc/51/37/50/851513750.db2.gz VPOJYOSWLCXGRC-QGZVFWFLSA-N 1 0 411.933 4.185 20 30 HIEDRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCC#N)[NH+](C)C ZINC000063119233 851618590 /nfs/dbraw/zinc/61/85/90/851618590.db2.gz YEXSMPKVAJCHTA-QGZVFWFLSA-N 1 0 402.391 4.165 20 30 HIEDRO C=CCOc1cccc(NC(=O)NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)c1 ZINC000063394300 851676635 /nfs/dbraw/zinc/67/66/35/851676635.db2.gz XKIGDDALUPIQCI-UHFFFAOYSA-N 1 0 409.530 4.294 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000063401432 851679000 /nfs/dbraw/zinc/67/90/00/851679000.db2.gz QEOQFMMYGZJJIR-UHFFFAOYSA-N 1 0 402.542 4.229 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000063401465 851679334 /nfs/dbraw/zinc/67/93/34/851679334.db2.gz KVVKYDLYNDCYOE-UHFFFAOYSA-N 1 0 410.518 4.333 20 30 HIEDRO CCCCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1ccccc1CC ZINC000063440656 851690200 /nfs/dbraw/zinc/69/02/00/851690200.db2.gz VHYMVEPQCZDFDJ-UHFFFAOYSA-O 1 0 414.595 4.267 20 30 HIEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cnn(Cc2ccccc2)c1 ZINC000437083151 862276744 /nfs/dbraw/zinc/27/67/44/862276744.db2.gz FXPYIBJJIDOPHM-WDGBRCNXSA-N 1 0 401.514 4.239 20 30 HIEDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1C ZINC000437089685 862280444 /nfs/dbraw/zinc/28/04/44/862280444.db2.gz CAGBKZAXFOICKB-RPCJCACASA-N 1 0 406.530 4.267 20 30 HIEDRO Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000064361387 851878752 /nfs/dbraw/zinc/87/87/52/851878752.db2.gz SYFLBETXFZYKRU-UHFFFAOYSA-N 1 0 424.492 4.445 20 30 HIEDRO C=CCc1cc(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc(OC)c1OC ZINC000065388934 852120371 /nfs/dbraw/zinc/12/03/71/852120371.db2.gz RZNNJPWJHKIBJW-UHFFFAOYSA-N 1 0 423.557 4.028 20 30 HIEDRO CC(C)Cn1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c2ccccc21 ZINC000065930386 852321065 /nfs/dbraw/zinc/32/10/65/852321065.db2.gz BEBBGKXDFFFOGX-UHFFFAOYSA-N 1 0 402.542 4.373 20 30 HIEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000097287058 852597591 /nfs/dbraw/zinc/59/75/91/852597591.db2.gz DPCQBQKBZXDAMT-PYQXHLOTSA-N 1 0 408.546 4.327 20 30 HIEDRO Cc1cc(-c2noc([C@H](C)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n2)ccc1F ZINC000097476651 852616064 /nfs/dbraw/zinc/61/60/64/852616064.db2.gz ODQRXULNHUSEGP-SFHVURJKSA-N 1 0 419.504 4.325 20 30 HIEDRO N#Cc1ccccc1OCc1ccc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)o1 ZINC000108106693 852823282 /nfs/dbraw/zinc/82/32/82/852823282.db2.gz COICLQHHNVEXCY-IBGZPJMESA-N 1 0 421.522 4.359 20 30 HIEDRO N#Cc1ccc(CC(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)cc1 ZINC000116452760 853305878 /nfs/dbraw/zinc/30/58/78/853305878.db2.gz SXXZDDVMOWUWOR-UHFFFAOYSA-N 1 0 424.548 4.057 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1cccc([N+](=O)[O-])c1)C(=S)NC(C)(C)CC ZINC000186971226 853669159 /nfs/dbraw/zinc/66/91/59/853669159.db2.gz BWPCZFZRGTXTFA-UHFFFAOYSA-O 1 0 400.524 4.162 20 30 HIEDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1Br ZINC000216018405 853842166 /nfs/dbraw/zinc/84/21/66/853842166.db2.gz CXWQTBCCUJYCTB-NSHDSACASA-N 1 0 422.710 4.272 20 30 HIEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@H](C)c2ccccc2)c1C#N ZINC000216198667 853847128 /nfs/dbraw/zinc/84/71/28/853847128.db2.gz AIFGIUMBZSJWHG-QGZVFWFLSA-N 1 0 404.489 4.453 20 30 HIEDRO CC(C)NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000236689669 853912217 /nfs/dbraw/zinc/91/22/17/853912217.db2.gz XXTIZTCBXOGVLL-GOTSBHOMSA-N 1 0 405.542 4.310 20 30 HIEDRO CC(C)Oc1ccc([C@@H](O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000236810848 853925557 /nfs/dbraw/zinc/92/55/57/853925557.db2.gz CGAMMVGUTLDSMF-QHCPKHFHSA-N 1 0 404.514 4.074 20 30 HIEDRO C=C(C)CN1CCC([NH2+]Cc2cc(Br)c(OCCC)c(OC)c2)CC1 ZINC000236988673 853947341 /nfs/dbraw/zinc/94/73/41/853947341.db2.gz HQVRNTIBQSSUJK-UHFFFAOYSA-N 1 0 411.384 4.377 20 30 HIEDRO COc1ccc(C[NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)cc1OCCCC#N ZINC000237372831 854017429 /nfs/dbraw/zinc/01/74/29/854017429.db2.gz AOTZETPGLKSRPV-SFHVURJKSA-N 1 0 401.457 4.024 20 30 HIEDRO COc1ccc(OC(F)F)c(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1 ZINC000237371581 854017524 /nfs/dbraw/zinc/01/75/24/854017524.db2.gz LOWXXIUFYMFSEK-INIZCTEOSA-N 1 0 405.420 4.066 20 30 HIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000237391122 854021358 /nfs/dbraw/zinc/02/13/58/854021358.db2.gz ORRQVCJRQJCOOF-RBUKOAKNSA-N 1 0 406.530 4.085 20 30 HIEDRO C=CCOc1ccccc1C[NH2+]CCC(=O)Nc1ccc(Br)cc1C ZINC000237563765 854055226 /nfs/dbraw/zinc/05/52/26/854055226.db2.gz YQOHXHGBBXILDW-UHFFFAOYSA-N 1 0 403.320 4.441 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3csc(COc4ccccc4)n3)C2)c(F)c1 ZINC000237714401 854081637 /nfs/dbraw/zinc/08/16/37/854081637.db2.gz HHHAQSUXIXGFKZ-GOSISDBHSA-N 1 0 422.529 4.491 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccccc3OCc3ccccn3)C2)c(F)c1 ZINC000237714789 854081946 /nfs/dbraw/zinc/08/19/46/854081946.db2.gz NOGVWCJJNSHRNJ-NRFANRHFSA-N 1 0 416.500 4.430 20 30 HIEDRO Cc1cc(C)n(-c2ccc(C[NH2+]Cc3cnc4ccc(C#N)cn34)c(C(F)(F)F)c2)n1 ZINC000237791682 854098347 /nfs/dbraw/zinc/09/83/47/854098347.db2.gz HZTZWBXYNILLFZ-UHFFFAOYSA-N 1 0 424.430 4.317 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c1 ZINC000237794633 854099128 /nfs/dbraw/zinc/09/91/28/854099128.db2.gz JWUKUMUPJINEBV-QHCPKHFHSA-N 1 0 413.949 4.186 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCc2cc(Cl)c3c(c2)OCCO3)c(-c2ccccc2)n1 ZINC000237816619 854103428 /nfs/dbraw/zinc/10/34/28/854103428.db2.gz DJYXTQQCGJTACY-UHFFFAOYSA-N 1 0 422.916 4.221 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)CC2)nc1 ZINC000238000607 854130492 /nfs/dbraw/zinc/13/04/92/854130492.db2.gz DMDDZJPPGXWFAB-UHFFFAOYSA-N 1 0 419.510 4.349 20 30 HIEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccc(Br)cc2)c(OC)c1 ZINC000301316714 854357166 /nfs/dbraw/zinc/35/71/66/854357166.db2.gz VYNHTYHSVZNDJE-LJQANCHMSA-N 1 0 420.347 4.058 20 30 HIEDRO Cc1cc(NC2CCN(c3ccc(C#N)cn3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301348598 854367289 /nfs/dbraw/zinc/36/72/89/854367289.db2.gz JKMJPZBQSREYFA-UHFFFAOYSA-N 1 0 409.440 4.492 20 30 HIEDRO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000301659591 854438814 /nfs/dbraw/zinc/43/88/14/854438814.db2.gz CBWXRTUCFMRPAL-RTBURBONSA-N 1 0 400.448 4.463 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(c3nnc(Cc4ccc(Cl)cc4)s3)CC2)cc1 ZINC000302528699 854580509 /nfs/dbraw/zinc/58/05/09/854580509.db2.gz PKKBJPLSJDAVSD-UHFFFAOYSA-N 1 0 423.973 4.366 20 30 HIEDRO C[C@H](c1ccncc1)[NH+]1CCC(Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000302678581 854602948 /nfs/dbraw/zinc/60/29/48/854602948.db2.gz RACIEXCMHKTXKV-OAHLLOKOSA-N 1 0 402.458 4.047 20 30 HIEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1ccc(OC)cc1 ZINC000302851902 854656543 /nfs/dbraw/zinc/65/65/43/854656543.db2.gz BCMZESISHANSNY-JOCHJYFZSA-N 1 0 420.513 4.306 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCSc3ccccc3Cl)CC2)cc1 ZINC000302903479 854673445 /nfs/dbraw/zinc/67/34/45/854673445.db2.gz YYFHWJTWAGICJL-UHFFFAOYSA-N 1 0 413.974 4.428 20 30 HIEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000302938904 854688807 /nfs/dbraw/zinc/68/88/07/854688807.db2.gz KLGGQAZIQQFQPR-QZTJIDSGSA-N 1 0 409.496 4.114 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)CSc1ccc(C#N)cc1 ZINC000303231059 854827789 /nfs/dbraw/zinc/82/77/89/854827789.db2.gz YKEDUXBHVDMIFP-UHFFFAOYSA-N 1 0 421.488 4.260 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)CC1 ZINC000303299330 854859304 /nfs/dbraw/zinc/85/93/04/854859304.db2.gz PRGNEDVWTVIMNX-UHFFFAOYSA-N 1 0 403.530 4.059 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)[C@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000303346526 854884740 /nfs/dbraw/zinc/88/47/40/854884740.db2.gz ZZDYXWOWRJWEGI-HNNXBMFYSA-N 1 0 419.978 4.383 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000303387807 854904261 /nfs/dbraw/zinc/90/42/61/854904261.db2.gz YPMQMXBLWIZFBM-IBGZPJMESA-N 1 0 420.557 4.340 20 30 HIEDRO [NH2+]=C(NCc1ccc(CN2CCOCC2)cc1)Nc1cccc(Oc2ccccc2)c1 ZINC000304467586 855355525 /nfs/dbraw/zinc/35/55/25/855355525.db2.gz CFBMDNWHNHXAQL-UHFFFAOYSA-N 1 0 416.525 4.238 20 30 HIEDRO [NH2+]=C(NCCCS(=O)(=O)Cc1ccccc1)Nc1cccc(Oc2ccccc2)c1 ZINC000304472866 855355881 /nfs/dbraw/zinc/35/58/81/855355881.db2.gz FHHZZACAAJXLIJ-UHFFFAOYSA-N 1 0 423.538 4.211 20 30 HIEDRO [NH2+]=C(NCc1ccc(Cn2cnc3ccccc32)cc1)N[C@H]1CCOc2ccccc21 ZINC000304488432 855356330 /nfs/dbraw/zinc/35/63/30/855356330.db2.gz KUSZGQDZQPKSDD-NRFANRHFSA-N 1 0 411.509 4.013 20 30 HIEDRO COc1ccccc1Oc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1 ZINC000304762020 855357186 /nfs/dbraw/zinc/35/71/86/855357186.db2.gz VCZNQCJGDACBCK-FQEVSTJZSA-N 1 0 403.482 4.416 20 30 HIEDRO CC[C@@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)Oc1cccc(C(F)(F)F)c1 ZINC000304798675 855358722 /nfs/dbraw/zinc/35/87/22/855358722.db2.gz XPFVDQXGJUIGAL-HNNXBMFYSA-N 1 0 411.424 4.307 20 30 HIEDRO Cc1nccn1-c1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1F ZINC000305259189 855361133 /nfs/dbraw/zinc/36/11/33/855361133.db2.gz XJCBKDMLACOHEB-UHFFFAOYSA-N 1 0 407.371 4.145 20 30 HIEDRO COc1cccc(NC(=[NH2+])NCc2ccc(Br)cc2C(F)(F)F)c1 ZINC000305744414 855361141 /nfs/dbraw/zinc/36/11/41/855361141.db2.gz OSFQOSHXMOYZCD-UHFFFAOYSA-N 1 0 402.214 4.403 20 30 HIEDRO N#Cc1cccc(-n2ccc(C(=O)NCc3ccc(C[NH+]4CCCCCC4)cc3)n2)c1 ZINC000409599166 855559077 /nfs/dbraw/zinc/55/90/77/855559077.db2.gz OZSIQSFBZVLESW-UHFFFAOYSA-N 1 0 413.525 4.050 20 30 HIEDRO N#CC1(CCC[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)CCOCC1 ZINC000410418048 855986979 /nfs/dbraw/zinc/98/69/79/855986979.db2.gz MNRVXHVMJGGLIE-MRXNPFEDSA-N 1 0 421.467 4.028 20 30 HIEDRO C=C[C@@H]1CCCC[N@H+]1Cc1ccc(OCCn2c(C)ncc2[N+](=O)[O-])c(OCC)c1 ZINC000426577920 856357383 /nfs/dbraw/zinc/35/73/83/856357383.db2.gz FOAVZOHROYVWKL-LJQANCHMSA-N 1 0 414.506 4.118 20 30 HIEDRO Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000426594476 856364830 /nfs/dbraw/zinc/36/48/30/856364830.db2.gz UEXWKMSOZZMMIQ-UHFFFAOYSA-N 1 0 422.533 4.338 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1 ZINC000426653486 856394436 /nfs/dbraw/zinc/39/44/36/856394436.db2.gz CELWUXVBZPZTQE-UHFFFAOYSA-N 1 0 405.955 4.087 20 30 HIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CC#Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000427005889 856591083 /nfs/dbraw/zinc/59/10/83/856591083.db2.gz ARCBNADODFYGFL-UHFFFAOYSA-N 1 0 411.427 4.279 20 30 HIEDRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428802657 857349615 /nfs/dbraw/zinc/34/96/15/857349615.db2.gz HIRPRBUTYKXTTK-OAQYLSRUSA-N 1 0 421.932 4.122 20 30 HIEDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000429465750 857684396 /nfs/dbraw/zinc/68/43/96/857684396.db2.gz LGRIPRXLYDDCDP-OAQYLSRUSA-N 1 0 406.530 4.280 20 30 HIEDRO CCS[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000429666400 857826665 /nfs/dbraw/zinc/82/66/65/857826665.db2.gz FOCOWNFVLIYVHI-PMACEKPBSA-N 1 0 414.575 4.210 20 30 HIEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)C2)CC1 ZINC000429667127 857826811 /nfs/dbraw/zinc/82/68/11/857826811.db2.gz VOSUSSXDKVLKAX-NRFANRHFSA-N 1 0 419.573 4.048 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccsc1 ZINC000429716748 857848866 /nfs/dbraw/zinc/84/88/66/857848866.db2.gz KWRGZRBWYJLYRC-NRFANRHFSA-N 1 0 421.570 4.338 20 30 HIEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000429727401 857852628 /nfs/dbraw/zinc/85/26/28/857852628.db2.gz WYHWXABJGDAOBH-UHFFFAOYSA-N 1 0 415.541 4.236 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000429738438 857860811 /nfs/dbraw/zinc/86/08/11/857860811.db2.gz OPEHGPCWPMXLNA-NRFANRHFSA-N 1 0 406.530 4.394 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429780533 857882792 /nfs/dbraw/zinc/88/27/92/857882792.db2.gz ATRBQYGTXFYIJP-RTWAWAEBSA-N 1 0 419.573 4.190 20 30 HIEDRO O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000437660233 863000058 /nfs/dbraw/zinc/00/00/58/863000058.db2.gz ZDVYACQZNUTARN-LBPRGKRZSA-N 1 0 409.292 4.426 20 30 HIEDRO C[C@H]1C[C@H](NC(=O)CCCCOc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000430652263 858249884 /nfs/dbraw/zinc/24/98/84/858249884.db2.gz HLTFXYFUKOAUEK-NZQKXSOJSA-N 1 0 405.542 4.277 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@]2(CCO[C@H](C)C2)O1 ZINC000430779837 858302287 /nfs/dbraw/zinc/30/22/87/858302287.db2.gz GPWMSCZJHZYRHM-UMEGOILYSA-N 1 0 406.526 4.296 20 30 HIEDRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 ZINC000430904859 858362768 /nfs/dbraw/zinc/36/27/68/858362768.db2.gz VNJQSGPUUOVPGK-UHFFFAOYSA-N 1 0 409.530 4.218 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)sc2c1CCC2 ZINC000430996166 858398463 /nfs/dbraw/zinc/39/84/63/858398463.db2.gz MCGZAFPWGGFPOY-AWEZNQCLSA-N 1 0 413.568 4.236 20 30 HIEDRO C=CCN1C(=O)N(C2CC[NH+]([C@H](C)c3ccccc3)CC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431408732 858600765 /nfs/dbraw/zinc/60/07/65/858600765.db2.gz WLZZPCRENMJQTK-YKSBVNFPSA-N 1 0 417.553 4.274 20 30 HIEDRO C=CCN1C(=O)N([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431419094 858605538 /nfs/dbraw/zinc/60/55/38/858605538.db2.gz CRTXLQUOTMAPGB-AGILITTLSA-N 1 0 417.553 4.101 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431698038 858746454 /nfs/dbraw/zinc/74/64/54/858746454.db2.gz QYONVHYWZFNVII-YKSBVNFPSA-N 1 0 402.542 4.309 20 30 HIEDRO N#CCCC[C@@H](NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000431935162 858877364 /nfs/dbraw/zinc/87/73/64/858877364.db2.gz GFYDQZSQFKIFDZ-LADGPHEKSA-N 1 0 404.558 4.285 20 30 HIEDRO COc1cccc(C2(F)CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC2)c1 ZINC000467541339 881363346 /nfs/dbraw/zinc/36/33/46/881363346.db2.gz FTKDVPOTKCONPW-UHFFFAOYSA-N 1 0 419.504 4.328 20 30 HIEDRO C[C@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000467599462 881408439 /nfs/dbraw/zinc/40/84/39/881408439.db2.gz FNQZTRJPZNKRRI-HNNXBMFYSA-N 1 0 404.967 4.063 20 30 HIEDRO Cc1cc(NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)n(-c2ccc(F)cc2)n1 ZINC000433014612 859478737 /nfs/dbraw/zinc/47/87/37/859478737.db2.gz FQMQRCJUTCVMRU-OAQYLSRUSA-N 1 0 405.477 4.283 20 30 HIEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCCSC1 ZINC000433195987 859562749 /nfs/dbraw/zinc/56/27/49/859562749.db2.gz FBEKZOZXTLAVRY-INIZCTEOSA-N 1 0 421.632 4.061 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH2+][C@H](c2ccccc2)C2(CO)CCC2)sc2c1CCCC2 ZINC000433320598 859638738 /nfs/dbraw/zinc/63/87/38/859638738.db2.gz LVSNFJURPMROCA-JOCHJYFZSA-N 1 0 423.582 4.321 20 30 HIEDRO Cc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c(OCC2CC2)c1 ZINC000433324548 859642600 /nfs/dbraw/zinc/64/26/00/859642600.db2.gz BHVIQJBZHYTNLH-UHFFFAOYSA-N 1 0 401.514 4.246 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2cc(F)cc(Br)c2)c(-c2ccncc2)n1 ZINC000433326298 859643893 /nfs/dbraw/zinc/64/38/93/859643893.db2.gz NCXLPEAXYFTYOH-UHFFFAOYSA-N 1 0 414.282 4.050 20 30 HIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)CC3 ZINC000433329720 859646962 /nfs/dbraw/zinc/64/69/62/859646962.db2.gz UZLYLRUDRFASFO-HXUWFJFHSA-N 1 0 410.525 4.296 20 30 HIEDRO C[C@@H]1C[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000467697279 881491879 /nfs/dbraw/zinc/49/18/79/881491879.db2.gz RMQXIDAJCDZPIM-XMSQKQJNSA-N 1 0 415.493 4.123 20 30 HIEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000434692632 860464271 /nfs/dbraw/zinc/46/42/71/860464271.db2.gz YXJYJGVAPNUHAU-UHFFFAOYSA-N 1 0 415.541 4.258 20 30 HIEDRO CC[C@](C)(O)C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1 ZINC000434980720 860585164 /nfs/dbraw/zinc/58/51/64/860585164.db2.gz GWAMKBYUMHDPHZ-DEOSSOPVSA-N 1 0 403.530 4.022 20 30 HIEDRO N#Cc1cccc(C2(C(=O)NCC3CC[NH+](Cc4ccccc4Cl)CC3)CC2)c1 ZINC000435021397 860602664 /nfs/dbraw/zinc/60/26/64/860602664.db2.gz WHNPFFVEBBJKCO-UHFFFAOYSA-N 1 0 407.945 4.272 20 30 HIEDRO C[N@H+](Cc1cccc(OCc2ccccc2C#N)c1)C1CCN(c2cnccn2)CC1 ZINC000435031651 860607428 /nfs/dbraw/zinc/60/74/28/860607428.db2.gz CEYXUFPIWQTMJD-UHFFFAOYSA-N 1 0 413.525 4.028 20 30 HIEDRO CC(C)c1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn1-c1ccccc1 ZINC000435054879 860617681 /nfs/dbraw/zinc/61/76/81/860617681.db2.gz AARWJUYSFYTYPO-UHFFFAOYSA-N 1 0 415.541 4.071 20 30 HIEDRO COc1ccc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)cc1OCCCC#N ZINC000435057319 860619787 /nfs/dbraw/zinc/61/97/87/860619787.db2.gz BIXSAQGTEZZSDQ-UHFFFAOYSA-N 1 0 408.546 4.290 20 30 HIEDRO N#CCCn1cc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435124048 860652186 /nfs/dbraw/zinc/65/21/86/860652186.db2.gz LFFXHXGJRBHHBU-XMMPIXPASA-N 1 0 415.541 4.082 20 30 HIEDRO Cc1ccc(C(=O)C2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC2)cc1 ZINC000435128496 860653729 /nfs/dbraw/zinc/65/37/29/860653729.db2.gz DNYJSBSYJZYDHW-UHFFFAOYSA-N 1 0 413.525 4.262 20 30 HIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)c(OC)c1 ZINC000435136538 860658298 /nfs/dbraw/zinc/65/82/98/860658298.db2.gz DFIGYJLLXGKTAE-QFIPXVFZSA-N 1 0 417.513 4.213 20 30 HIEDRO Cc1oc(C#N)cc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000435462280 860806747 /nfs/dbraw/zinc/80/67/47/860806747.db2.gz BRKJNIGIMFCYCE-HNAYVOBHSA-N 1 0 405.420 4.291 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)cc1C#N ZINC000435552173 860868615 /nfs/dbraw/zinc/86/86/15/860868615.db2.gz ZDDPNMOCFYVEGW-UHFFFAOYSA-N 1 0 406.530 4.474 20 30 HIEDRO C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000435745998 861027765 /nfs/dbraw/zinc/02/77/65/861027765.db2.gz SFWIXOKSJBXBAI-HSZRJFAPSA-N 1 0 405.542 4.087 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000435752017 861030431 /nfs/dbraw/zinc/03/04/31/861030431.db2.gz VMTZVXLYWGXONG-NHYWBVRUSA-N 1 0 419.157 4.291 20 30 HIEDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000437959431 863330583 /nfs/dbraw/zinc/33/05/83/863330583.db2.gz XXSSSEPEUFEFRM-FQEVSTJZSA-N 1 0 410.493 4.224 20 30 HIEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000437959435 863330807 /nfs/dbraw/zinc/33/08/07/863330807.db2.gz XXSSSEPEUFEFRM-HXUWFJFHSA-N 1 0 410.493 4.224 20 30 HIEDRO COc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1OCCCC#N ZINC000438495925 863915996 /nfs/dbraw/zinc/91/59/96/863915996.db2.gz SAJFJIBDHHDCBC-UHFFFAOYSA-N 1 0 420.513 4.124 20 30 HIEDRO N#CC1(NC(=O)C2(Cc3ccccc3Cl)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000438961008 864430253 /nfs/dbraw/zinc/43/02/53/864430253.db2.gz JATILJUUXWMVRW-UHFFFAOYSA-N 1 0 407.945 4.337 20 30 HIEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)[C@H]3CC[C@H](O)CC3)sc2C1 ZINC000439303131 864731280 /nfs/dbraw/zinc/73/12/80/864731280.db2.gz OTIUJVSMUYRZDW-ULQDDVLXSA-N 1 0 417.619 4.335 20 30 HIEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000439487428 864849435 /nfs/dbraw/zinc/84/94/35/864849435.db2.gz RAOHHDGDSQDSNH-NRFANRHFSA-N 1 0 421.545 4.004 20 30 HIEDRO CCCc1c(NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)cnn1-c1cccc(C#N)c1 ZINC000439666573 864997055 /nfs/dbraw/zinc/99/70/55/864997055.db2.gz WAYNHQBOWGQZEQ-SFHVURJKSA-N 1 0 408.550 4.082 20 30 HIEDRO CCCc1c(NC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439666577 864997102 /nfs/dbraw/zinc/99/71/02/864997102.db2.gz OXTURJFQRYWNBM-IBGZPJMESA-N 1 0 422.577 4.330 20 30 HIEDRO CCCc1c(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)cnn1-c1cccc(C#N)c1 ZINC000439666571 864997529 /nfs/dbraw/zinc/99/75/29/864997529.db2.gz WAYNHQBOWGQZEQ-GOSISDBHSA-N 1 0 408.550 4.082 20 30 HIEDRO CCCc1c(NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)cnn1-c1cccc(C#N)c1 ZINC000439694833 865031271 /nfs/dbraw/zinc/03/12/71/865031271.db2.gz XCZQZFDVCAARHQ-GOSISDBHSA-N 1 0 408.550 4.082 20 30 HIEDRO O=C(Nc1cccc(Br)c1)C1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000439806113 865122896 /nfs/dbraw/zinc/12/28/96/865122896.db2.gz DDFMIUXBYMWBNT-UHFFFAOYSA-N 1 0 415.306 4.290 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc(C#N)c(F)c1 ZINC000468049619 881875291 /nfs/dbraw/zinc/87/52/91/881875291.db2.gz OLGLVXYIVVYVMC-SUMWQHHRSA-N 1 0 405.395 4.168 20 30 HIEDRO COc1ccc(C#N)cc1C[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000440469814 865774255 /nfs/dbraw/zinc/77/42/55/865774255.db2.gz WAAZCWBLTCGRPV-UHFFFAOYSA-N 1 0 401.869 4.210 20 30 HIEDRO N#Cc1cnc2c(Br)cccc2c1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000440638885 865853000 /nfs/dbraw/zinc/85/30/00/865853000.db2.gz RBBWKDMGCZPSLZ-LIRRHRJNSA-N 1 0 411.347 4.322 20 30 HIEDRO C=CCC[C@@H](NC(=O)NC1CC[NH+](CCOC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000440840506 865951535 /nfs/dbraw/zinc/95/15/35/865951535.db2.gz FQGNRSANJROZHV-LJQANCHMSA-N 1 0 413.484 4.123 20 30 HIEDRO N#CC1CCC(CNC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000441038138 866102934 /nfs/dbraw/zinc/10/29/34/866102934.db2.gz SFZYZWHQBVPTPP-UHFFFAOYSA-N 1 0 422.495 4.253 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000441103676 866200646 /nfs/dbraw/zinc/20/06/46/866200646.db2.gz LBRUWVQNYJDTGE-AWEZNQCLSA-N 1 0 408.449 4.242 20 30 HIEDRO Cc1sc(NC(=O)C[N@@H+](C[C@@H](C)O)[C@@H](C)Cc2ccc(Cl)cc2)c(C#N)c1C ZINC000441257609 866332978 /nfs/dbraw/zinc/33/29/78/866332978.db2.gz CCZBZMBVLDNJPS-UONOGXRCSA-N 1 0 419.978 4.143 20 30 HIEDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cccc(Cl)c2)c1 ZINC000441480399 866560517 /nfs/dbraw/zinc/56/05/17/866560517.db2.gz YAFJZRHKQYKAPI-JOCHJYFZSA-N 1 0 410.949 4.490 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000441933360 866997620 /nfs/dbraw/zinc/99/76/20/866997620.db2.gz LKLICWWBQIUTJE-SFHVURJKSA-N 1 0 411.575 4.115 20 30 HIEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)[C@@H]1c1ccccc1 ZINC000442182756 867205072 /nfs/dbraw/zinc/20/50/72/867205072.db2.gz RIONHRLWOGFNPG-WMZOPIPTSA-N 1 0 404.392 4.024 20 30 HIEDRO N#Cc1cc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)ccc1OC(F)(F)F ZINC000442206781 867229484 /nfs/dbraw/zinc/22/94/84/867229484.db2.gz FWBVBXHURVOFKX-UHFFFAOYSA-N 1 0 410.440 4.375 20 30 HIEDRO Cc1c([C@@H](C)[NH2+]CC2CCC(C#N)CC2)nnn1-c1cccc(Br)c1 ZINC000442866207 867705102 /nfs/dbraw/zinc/70/51/02/867705102.db2.gz KLXLRNBLEHMBNE-IUDNXUCKSA-N 1 0 402.340 4.319 20 30 HIEDRO N#Cc1nc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)ccc1C(F)(F)F ZINC000443507112 868073524 /nfs/dbraw/zinc/07/35/24/868073524.db2.gz FLXKEYQGEBNPIC-OAQYLSRUSA-N 1 0 400.448 4.465 20 30 HIEDRO N#Cc1ccccc1Sc1ccc(C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)cc1 ZINC000443808095 868343440 /nfs/dbraw/zinc/34/34/40/868343440.db2.gz QKBWVUIYZXVTQB-NRFANRHFSA-N 1 0 421.566 4.036 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1C#N ZINC000443970274 868500461 /nfs/dbraw/zinc/50/04/61/868500461.db2.gz SRMCTQYDOXSHIW-UHFFFAOYSA-N 1 0 412.603 4.281 20 30 HIEDRO Cc1cc(C[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)ccc1C#N ZINC000444001540 868522420 /nfs/dbraw/zinc/52/24/20/868522420.db2.gz LFXOYHLZPFMGIQ-UHFFFAOYSA-N 1 0 401.432 4.280 20 30 HIEDRO N#CCCCn1cc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)c2ccccc21 ZINC000444275679 868710178 /nfs/dbraw/zinc/71/01/78/868710178.db2.gz JKXSWIZYFQBVGB-UHFFFAOYSA-N 1 0 416.525 4.154 20 30 HIEDRO Cc1ccc(SCC(F)(F)F)c(NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000444392181 868806278 /nfs/dbraw/zinc/80/62/78/868806278.db2.gz OARHRACNEBJZJM-UHFFFAOYSA-N 1 0 402.486 4.349 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccnc(Oc2ccccc2Cl)c1 ZINC000444395931 868808949 /nfs/dbraw/zinc/80/89/49/868808949.db2.gz ZHRWADQPXGKFOL-UHFFFAOYSA-N 1 0 401.898 4.227 20 30 HIEDRO N#CC(CC[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1)(c1ccccc1)c1ccccc1 ZINC000444609909 868903014 /nfs/dbraw/zinc/90/30/14/868903014.db2.gz NOKCYFHXSKZWOC-OAQYLSRUSA-N 1 0 411.553 4.304 20 30 HIEDRO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C1CCN(c2cccnn2)CC1 ZINC000444658342 868934994 /nfs/dbraw/zinc/93/49/94/868934994.db2.gz AYHJGOLAYPXVRE-UHFFFAOYSA-N 1 0 411.553 4.277 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCC(=O)c1csc2ccccc21 ZINC000445968800 869938043 /nfs/dbraw/zinc/93/80/43/869938043.db2.gz MPJNXSCXLNNWBQ-UHFFFAOYSA-N 1 0 419.550 4.326 20 30 HIEDRO N#Cc1cc(F)c(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c(F)c1 ZINC000446058125 870018990 /nfs/dbraw/zinc/01/89/90/870018990.db2.gz BCESEESTSNUFKM-UHFFFAOYSA-N 1 0 403.860 4.132 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CC1 ZINC000446368257 870280194 /nfs/dbraw/zinc/28/01/94/870280194.db2.gz CXPYMWLKZTZYFJ-MRXNPFEDSA-N 1 0 407.839 4.422 20 30 HIEDRO N#Cc1ccccc1OCC[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000447320876 871212386 /nfs/dbraw/zinc/21/23/86/871212386.db2.gz HTGPBUYJOQCOCB-UHFFFAOYSA-N 1 0 406.404 4.131 20 30 HIEDRO CC(C)c1ccc2ncc(C#N)c(NCc3ccccc3C[NH+]3CCC(O)CC3)c2c1 ZINC000447668247 871597453 /nfs/dbraw/zinc/59/74/53/871597453.db2.gz BMNOPNPVODCYNY-UHFFFAOYSA-N 1 0 414.553 4.221 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1noc(C2CCCCC2)n1 ZINC000448043000 871874759 /nfs/dbraw/zinc/87/47/59/871874759.db2.gz LZQDJCOORQQJRD-UHFFFAOYSA-N 1 0 416.595 4.216 20 30 HIEDRO C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460366860 873000685 /nfs/dbraw/zinc/00/06/85/873000685.db2.gz BEIAGFIHIXFANF-QFIPXVFZSA-N 1 0 423.605 4.450 20 30 HIEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460374851 873011844 /nfs/dbraw/zinc/01/18/44/873011844.db2.gz JGFSYKIYXQFORO-AZUAARDMSA-N 1 0 402.546 4.132 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460558947 873283491 /nfs/dbraw/zinc/28/34/91/873283491.db2.gz QLLDVHCLCXFTKY-YRPNKDGESA-N 1 0 403.615 4.082 20 30 HIEDRO C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460778848 873631440 /nfs/dbraw/zinc/63/14/40/873631440.db2.gz BETVEXKGQFQBFR-PMACEKPBSA-N 1 0 416.573 4.441 20 30 HIEDRO C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460778849 873632330 /nfs/dbraw/zinc/63/23/30/873632330.db2.gz BETVEXKGQFQBFR-UXHICEINSA-N 1 0 416.573 4.441 20 30 HIEDRO C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460794910 873664502 /nfs/dbraw/zinc/66/45/02/873664502.db2.gz BEHYBWRTCCAKLB-FQEVSTJZSA-N 1 0 418.589 4.468 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460942814 873842676 /nfs/dbraw/zinc/84/26/76/873842676.db2.gz FBEDLNOVQFQDPY-RTWAWAEBSA-N 1 0 409.578 4.113 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460945400 873844765 /nfs/dbraw/zinc/84/47/65/873844765.db2.gz AQBLDSZRFJPJHF-SFTDATJTSA-N 1 0 415.626 4.228 20 30 HIEDRO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000460952201 873850735 /nfs/dbraw/zinc/85/07/35/873850735.db2.gz NZPSVEXKXCXNKL-KSEOMHKRSA-N 1 0 409.578 4.020 20 30 HIEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460961993 873858491 /nfs/dbraw/zinc/85/84/91/873858491.db2.gz VNZGKEUIAAMKML-NRFANRHFSA-N 1 0 419.573 4.333 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1C ZINC000461427740 874464618 /nfs/dbraw/zinc/46/46/18/874464618.db2.gz QKDHOZZSBTWWGC-OAQYLSRUSA-N 1 0 419.573 4.029 20 30 HIEDRO N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)c2)cc1 ZINC000461444659 874500902 /nfs/dbraw/zinc/50/09/02/874500902.db2.gz QIAQDKPEGRKWIA-JOCHJYFZSA-N 1 0 403.526 4.085 20 30 HIEDRO COc1ccc(C[N@@H+]2CCCN(c3c(C#N)cnc4c(C)cc(F)cc43)CC2)cc1 ZINC000461461211 874521624 /nfs/dbraw/zinc/52/16/24/874521624.db2.gz RQZVHPRRNMTPTI-UHFFFAOYSA-N 1 0 404.489 4.275 20 30 HIEDRO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3SC[C@H](C)C#N)cc2)CC1 ZINC000468865467 882897437 /nfs/dbraw/zinc/89/74/37/882897437.db2.gz FVVWQPHDSJTSBU-GOSISDBHSA-N 1 0 408.571 4.333 20 30 HIEDRO C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(C#N)c1 ZINC000462067422 875178908 /nfs/dbraw/zinc/17/89/08/875178908.db2.gz NDHNOYMYGVBFNJ-MGPUTAFESA-N 1 0 401.432 4.071 20 30 HIEDRO CN(Cc1ccccc1)[C@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000463270859 876329252 /nfs/dbraw/zinc/32/92/52/876329252.db2.gz ZSQCTPHCUPRSKV-AREMUKBSSA-N 1 0 402.586 4.023 20 30 HIEDRO C[C@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Br)cc1OCCCO ZINC000463360553 876414876 /nfs/dbraw/zinc/41/48/76/876414876.db2.gz VNHYVNHHHLYLQA-ZDUSSCGKSA-N 1 0 407.283 4.072 20 30 HIEDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000463585072 876688271 /nfs/dbraw/zinc/68/82/71/876688271.db2.gz BCUXTHALRAPLKF-INIZCTEOSA-N 1 0 414.347 4.015 20 30 HIEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000463654159 876775462 /nfs/dbraw/zinc/77/54/62/876775462.db2.gz VCUXREQJEVPNIA-UHFFFAOYSA-N 1 0 408.512 4.210 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000463719486 876837887 /nfs/dbraw/zinc/83/78/87/876837887.db2.gz SQIMMTCUCJKHCS-UHFFFAOYSA-N 1 0 412.555 4.370 20 30 HIEDRO C=CCOc1ccc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)cc1OC ZINC000465201671 878606604 /nfs/dbraw/zinc/60/66/04/878606604.db2.gz YSWRMGATLIYSJS-SFHVURJKSA-N 1 0 410.514 4.233 20 30 HIEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503405064 912384429 /nfs/dbraw/zinc/38/44/29/912384429.db2.gz IVXANYVYSDIFII-MGPUTAFESA-N 1 0 406.368 4.071 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000465427443 878857739 /nfs/dbraw/zinc/85/77/39/878857739.db2.gz CPLOBRGWMBOAIJ-QHAWAJNXSA-N 1 0 408.571 4.366 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000465427438 878858198 /nfs/dbraw/zinc/85/81/98/878858198.db2.gz CPLOBRGWMBOAIJ-NJDAHSKKSA-N 1 0 408.571 4.366 20 30 HIEDRO N#CCCn1cc(C(=O)CN2CCC(N3CCc4ccccc43)CC2)c2ccccc21 ZINC000503429466 912425934 /nfs/dbraw/zinc/42/59/34/912425934.db2.gz AKTZKIZAJGLUES-UHFFFAOYSA-N 1 0 412.537 4.265 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccccc2)[C@H](C)Cc2ccccc2OC)CC1 ZINC000465875616 879527648 /nfs/dbraw/zinc/52/76/48/879527648.db2.gz SPRHTQCTOWCPFU-OAQYLSRUSA-N 1 0 421.585 4.488 20 30 HIEDRO C=CCOc1ccccc1CNC(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465904523 879565628 /nfs/dbraw/zinc/56/56/28/879565628.db2.gz WMBMDHVDZGOMPE-JOCHJYFZSA-N 1 0 407.558 4.305 20 30 HIEDRO N#CCCCOc1cccnc1NC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000466606370 880375662 /nfs/dbraw/zinc/37/56/62/880375662.db2.gz HMKDBJOZYUFENS-UHFFFAOYSA-N 1 0 421.545 4.462 20 30 HIEDRO COc1ccc(C2CC[NH+](CC(=O)N(CCC#N)c3cc(C)cc(C)c3)CC2)cc1 ZINC000466738186 880521596 /nfs/dbraw/zinc/52/15/96/880521596.db2.gz RCXHTVRPIAXZEK-UHFFFAOYSA-N 1 0 405.542 4.438 20 30 HIEDRO C=CCN1CC[C@H](N(C)Cc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000467510909 881326239 /nfs/dbraw/zinc/32/62/39/881326239.db2.gz ARQNCVSHECCHKQ-FQEVSTJZSA-N 1 0 414.933 4.146 20 30 HIEDRO CC[C@H](Cc1ccccc1)[N@H+](CC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000469128058 883223025 /nfs/dbraw/zinc/22/30/25/883223025.db2.gz ZJIPFWBZSOFGKC-OAQYLSRUSA-N 1 0 401.514 4.026 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(-n3ncc4ccccc43)cc2Cl)CC1 ZINC000469160305 883257087 /nfs/dbraw/zinc/25/70/87/883257087.db2.gz ZRSYWWKWQXLMQM-UHFFFAOYSA-N 1 0 408.933 4.449 20 30 HIEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+][C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000469241051 883340280 /nfs/dbraw/zinc/34/02/80/883340280.db2.gz LTMZJYPYFCXQOP-JSGCOSHPSA-N 1 0 402.951 4.374 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](c3c(F)cccc3F)C2)sc2c1CCC2 ZINC000469452719 883654743 /nfs/dbraw/zinc/65/47/43/883654743.db2.gz QMRYRWUXOXUPRG-ZDUSSCGKSA-N 1 0 401.482 4.205 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)N(C)CCOc2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000469735742 883892559 /nfs/dbraw/zinc/89/25/59/883892559.db2.gz UXNMHNVGZZUMQK-ZDUSSCGKSA-N 1 0 409.408 4.125 20 30 HIEDRO COc1cc(Br)ccc1[C@H](C)[NH2+]CCC(=O)Nc1ccc(C#N)cc1 ZINC000469757345 883921316 /nfs/dbraw/zinc/92/13/16/883921316.db2.gz QUOJIEQJYOJRMU-ZDUSSCGKSA-N 1 0 402.292 4.009 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000503698548 912802248 /nfs/dbraw/zinc/80/22/48/912802248.db2.gz JTSBDBRPHHRMMH-GOSISDBHSA-N 1 0 410.518 4.422 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000503703826 912803334 /nfs/dbraw/zinc/80/33/34/912803334.db2.gz VTTPTPFKOJWFDP-UHFFFAOYSA-N 1 0 420.513 4.195 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000470052607 884301067 /nfs/dbraw/zinc/30/10/67/884301067.db2.gz BZOUIAGCMKADAG-QGZVFWFLSA-N 1 0 412.361 4.197 20 30 HIEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470275701 884633646 /nfs/dbraw/zinc/63/36/46/884633646.db2.gz DBDUIMVUGFSVSO-LJQANCHMSA-N 1 0 404.436 4.021 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCN1CCCc2ccccc21 ZINC000503945668 912877311 /nfs/dbraw/zinc/87/73/11/912877311.db2.gz JORXRLLMZZTLGH-UHFFFAOYSA-N 1 0 411.619 4.037 20 30 HIEDRO Cc1nc(SCC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000470667094 885094983 /nfs/dbraw/zinc/09/49/83/885094983.db2.gz JPZIPGRYPIKSME-NRFANRHFSA-N 1 0 422.598 4.094 20 30 HIEDRO COc1cc(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000470958144 885455663 /nfs/dbraw/zinc/45/56/63/885455663.db2.gz GRIGTTWSMXDMMG-DEOSSOPVSA-N 1 0 419.569 4.310 20 30 HIEDRO CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000471047171 885558623 /nfs/dbraw/zinc/55/86/23/885558623.db2.gz HSRZZFMOGPOXJO-QHCPKHFHSA-N 1 0 407.558 4.310 20 30 HIEDRO C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471132392 885671196 /nfs/dbraw/zinc/67/11/96/885671196.db2.gz WTGFLBAALOYXHE-VGSWGCGISA-N 1 0 403.482 4.151 20 30 HIEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000471224918 885798192 /nfs/dbraw/zinc/79/81/92/885798192.db2.gz XDLKBXKUVRDZQA-UHFFFAOYSA-N 1 0 402.542 4.272 20 30 HIEDRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc(C#N)cc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000471930753 886724203 /nfs/dbraw/zinc/72/42/03/886724203.db2.gz QQGXODVTYGVAEI-NHCUHLMSSA-N 1 0 410.905 4.320 20 30 HIEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](COC)Cc1ccccc1 ZINC000472322874 887156182 /nfs/dbraw/zinc/15/61/82/887156182.db2.gz SDISQNXPITUPQC-SFHVURJKSA-N 1 0 411.571 4.017 20 30 HIEDRO CCC(CC)(CC(=O)OC)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000472430645 887278032 /nfs/dbraw/zinc/27/80/32/887278032.db2.gz IUEWIOWLBQCJCC-UHFFFAOYSA-N 1 0 416.566 4.132 20 30 HIEDRO N#CC(CC[N@@H+]1CCNC(=O)C[C@H]1c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000472582198 887463113 /nfs/dbraw/zinc/46/31/13/887463113.db2.gz QDIXTKXZOFANAT-VWLOTQADSA-N 1 0 409.533 4.450 20 30 HIEDRO N#CC(CC[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1)(c1ccccc1)c1ccccc1 ZINC000472775389 887621966 /nfs/dbraw/zinc/62/19/66/887621966.db2.gz VJQUTAASUDNJNS-JOCHJYFZSA-N 1 0 401.554 4.125 20 30 HIEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1 ZINC000473399708 888114358 /nfs/dbraw/zinc/11/43/58/888114358.db2.gz SWJXYPKAWWMDGS-RUZDIDTESA-N 1 0 422.532 4.286 20 30 HIEDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cccc(C(F)(F)F)c1F ZINC000473516669 888248872 /nfs/dbraw/zinc/24/88/72/888248872.db2.gz DEHUJPVREUOCRZ-UHFFFAOYSA-N 1 0 412.349 4.380 20 30 HIEDRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)c2)CC1 ZINC000473825601 888658525 /nfs/dbraw/zinc/65/85/25/888658525.db2.gz CPAYKWYHWNXZQU-ZEQRLZLVSA-N 1 0 417.557 4.132 20 30 HIEDRO C[N@@H+]1CC[C@@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474148062 888976943 /nfs/dbraw/zinc/97/69/43/888976943.db2.gz UUVXHCKUXLPMOL-LAUBAEHRSA-N 1 0 411.908 4.192 20 30 HIEDRO COc1ccc([C@@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000474197518 889036242 /nfs/dbraw/zinc/03/62/42/889036242.db2.gz LSBDFEKMCKXCHX-ISKFKSNPSA-N 1 0 405.542 4.426 20 30 HIEDRO C=C(C)CN1CCC([NH2+][C@H](C)CCc2ccc(I)cc2)CC1 ZINC000474713974 889572827 /nfs/dbraw/zinc/57/28/27/889572827.db2.gz YKGYTFYXXOVYIX-MRXNPFEDSA-N 1 0 412.359 4.242 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475270772 890166185 /nfs/dbraw/zinc/16/61/85/890166185.db2.gz UQHDLLUXEWNIEW-UHFFFAOYSA-N 1 0 411.590 4.390 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@@H](c2cccc(F)c2)C1 ZINC000475520673 890442186 /nfs/dbraw/zinc/44/21/86/890442186.db2.gz SJDPRROCJZPPKW-GGAORHGYSA-N 1 0 408.521 4.107 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000475551033 890477448 /nfs/dbraw/zinc/47/74/48/890477448.db2.gz PLHMOVBTZJVKRZ-CBQGHPETSA-N 1 0 410.606 4.313 20 30 HIEDRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000475614395 890543669 /nfs/dbraw/zinc/54/36/69/890543669.db2.gz VTJKEFYVFSACGK-UHFFFAOYSA-N 1 0 422.529 4.361 20 30 HIEDRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000475616674 890546630 /nfs/dbraw/zinc/54/66/30/890546630.db2.gz HGJSQUSUSMPULT-KRWDZBQOSA-N 1 0 404.580 4.092 20 30 HIEDRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000475616675 890548735 /nfs/dbraw/zinc/54/87/35/890548735.db2.gz HGJSQUSUSMPULT-QGZVFWFLSA-N 1 0 404.580 4.092 20 30 HIEDRO Cc1cc(C[NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)ccc1C#N ZINC000475624558 890561981 /nfs/dbraw/zinc/56/19/81/890561981.db2.gz KRRIEPGSYCBCKO-QGZVFWFLSA-N 1 0 413.237 4.471 20 30 HIEDRO N#CC[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000476065220 890995063 /nfs/dbraw/zinc/99/50/63/890995063.db2.gz VQMQDNNPEYMEEL-TZIWHRDSSA-N 1 0 415.459 4.483 20 30 HIEDRO Cc1nc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)sc1SCC#N ZINC000504836791 913557639 /nfs/dbraw/zinc/55/76/39/913557639.db2.gz JNIRRWJZFRVFME-HNNXBMFYSA-N 1 0 404.536 4.057 20 30 HIEDRO C=C(C)[C@@H](NC(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(F)c(F)c1 ZINC000476864626 891829302 /nfs/dbraw/zinc/82/93/02/891829302.db2.gz UKCIRSPYHGSKGW-OAQYLSRUSA-N 1 0 403.473 4.022 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000477044860 891971852 /nfs/dbraw/zinc/97/18/52/891971852.db2.gz QGDHXHXPOKDVEU-FQEVSTJZSA-N 1 0 420.395 4.110 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@@H](CC)Cc2ccccc2Br)CC1 ZINC000477051809 891980303 /nfs/dbraw/zinc/98/03/03/891980303.db2.gz SVULDYIDXGKSPS-SFHVURJKSA-N 1 0 408.384 4.062 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccn(C2CCCC2)n1 ZINC000477346779 892314949 /nfs/dbraw/zinc/31/49/49/892314949.db2.gz HBHAFBZSRUDCNE-UHFFFAOYSA-N 1 0 400.596 4.096 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+]C1(c2ccccc2)CCCCC1 ZINC000477661531 892800408 /nfs/dbraw/zinc/80/04/08/892800408.db2.gz LWKFAFNIXMPSAE-UHFFFAOYSA-N 1 0 422.573 4.401 20 30 HIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000504966115 913704917 /nfs/dbraw/zinc/70/49/17/913704917.db2.gz VTOLTZYFLCMFRZ-UHFFFAOYSA-N 1 0 414.040 4.461 20 30 HIEDRO CC[N@H+](CCCOc1cccc(C#N)c1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000477758952 892848749 /nfs/dbraw/zinc/84/87/49/892848749.db2.gz DQWZJXCZAVEROR-UHFFFAOYSA-N 1 0 405.420 4.307 20 30 HIEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000477841487 892900377 /nfs/dbraw/zinc/90/03/77/892900377.db2.gz AOUIAUJMFLGVAR-MAUKXSAKSA-N 1 0 407.436 4.079 20 30 HIEDRO Cc1ccc([C@H](CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)[NH+]2CCCC2)o1 ZINC000477922111 893007781 /nfs/dbraw/zinc/00/77/81/893007781.db2.gz ZANGZUDFTMUPOG-IBGZPJMESA-N 1 0 419.447 4.095 20 30 HIEDRO C=CCCc1ccccc1NC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000505061281 913800164 /nfs/dbraw/zinc/80/01/64/913800164.db2.gz JIICECYOXNKGGZ-UHFFFAOYSA-N 1 0 412.622 4.465 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000478742739 894018687 /nfs/dbraw/zinc/01/86/87/894018687.db2.gz SPOZGADFZUUHJD-UHFFFAOYSA-N 1 0 409.578 4.348 20 30 HIEDRO N#Cc1ccccc1OC1CCC(NC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000479194827 894461012 /nfs/dbraw/zinc/46/10/12/894461012.db2.gz PMNNKFITAHOUFV-UHFFFAOYSA-N 1 0 412.578 4.204 20 30 HIEDRO Cc1cccc2c(CCC(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c[nH]c21 ZINC000479215626 894478097 /nfs/dbraw/zinc/47/80/97/894478097.db2.gz LYWVYBBYMWQFIN-UHFFFAOYSA-N 1 0 400.526 4.084 20 30 HIEDRO Cc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1Br ZINC000479224759 894485809 /nfs/dbraw/zinc/48/58/09/894485809.db2.gz YOOSOCVBLPLMJB-UHFFFAOYSA-N 1 0 412.331 4.046 20 30 HIEDRO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@@H]2C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000479237023 894500495 /nfs/dbraw/zinc/50/04/95/894500495.db2.gz BFBAJZRCQJMTRS-PMXSJFBMSA-N 1 0 403.526 4.181 20 30 HIEDRO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@@H]2C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000479237021 894501227 /nfs/dbraw/zinc/50/12/27/894501227.db2.gz BFBAJZRCQJMTRS-HZEGPAAWSA-N 1 0 403.526 4.181 20 30 HIEDRO C[C@H](Sc1ccccc1Cl)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479254916 894520669 /nfs/dbraw/zinc/52/06/69/894520669.db2.gz YYQPLCUXAGGBPM-KRWDZBQOSA-N 1 0 413.974 4.495 20 30 HIEDRO C[C@H](Sc1ccc(Cl)cc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479254137 894520731 /nfs/dbraw/zinc/52/07/31/894520731.db2.gz WTOSNUWBZXWZLR-KRWDZBQOSA-N 1 0 413.974 4.495 20 30 HIEDRO N#CC1(NC(=O)Cc2csc(-c3cccs3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000479289353 894570578 /nfs/dbraw/zinc/57/05/78/894570578.db2.gz RZJGHLJSVTWLFR-UHFFFAOYSA-N 1 0 422.579 4.089 20 30 HIEDRO Cc1ccc2c(ncc(C#N)c2NCCC[N@@H+]2CCCO[C@@H](C)C2)c1Br ZINC000479310125 894597796 /nfs/dbraw/zinc/59/77/96/894597796.db2.gz DSWMHMHMRSZZFQ-HNNXBMFYSA-N 1 0 417.351 4.090 20 30 HIEDRO Cc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(Br)s1 ZINC000479344739 894639649 /nfs/dbraw/zinc/63/96/49/894639649.db2.gz NQMGUFISWWALMM-UHFFFAOYSA-N 1 0 418.360 4.107 20 30 HIEDRO N#Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(F)c1 ZINC000479383643 894684685 /nfs/dbraw/zinc/68/46/85/894684685.db2.gz CYQRZQYRPRCKOP-UHFFFAOYSA-N 1 0 405.395 4.111 20 30 HIEDRO C=C(C)[C@H](NC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C)c1ccc(F)c(F)c1 ZINC000479766470 895068546 /nfs/dbraw/zinc/06/85/46/895068546.db2.gz GGIAJPOUEJEXIL-QFIPXVFZSA-N 1 0 414.500 4.464 20 30 HIEDRO COc1cccc(C2=CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000479893970 895241089 /nfs/dbraw/zinc/24/10/89/895241089.db2.gz SGOWSQOVIGSNJP-UHFFFAOYSA-N 1 0 407.539 4.235 20 30 HIEDRO CCN(CC)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000479945311 895300118 /nfs/dbraw/zinc/30/01/18/895300118.db2.gz ANCALKQHMYWPJK-DEOSSOPVSA-N 1 0 417.557 4.140 20 30 HIEDRO COC1CC[NH+](C2(CNc3nc4c(c(C#N)c3C#N)CCCCCC4)CCCC2)CC1 ZINC000479961106 895315480 /nfs/dbraw/zinc/31/54/80/895315480.db2.gz IYEGAOAUEXZNOD-UHFFFAOYSA-N 1 0 421.589 4.319 20 30 HIEDRO Cn1cc(C[NH2+]Cc2ccnc(N3CCCCCC3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000479967367 895321120 /nfs/dbraw/zinc/32/11/20/895321120.db2.gz OXHJMAIMHAEQPY-UHFFFAOYSA-N 1 0 400.530 4.024 20 30 HIEDRO Cn1cc(C[NH2+]Cc2ccnc(OCc3ccccc3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000479986179 895339112 /nfs/dbraw/zinc/33/91/12/895339112.db2.gz BSQJVPNZMQQEMT-UHFFFAOYSA-N 1 0 409.493 4.223 20 30 HIEDRO Cn1cc(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000480050296 895399099 /nfs/dbraw/zinc/39/90/99/895399099.db2.gz XQTWKPHWIIQXHS-UHFFFAOYSA-N 1 0 400.404 4.190 20 30 HIEDRO C=CCSc1ccccc1NC(=O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481183955 896530892 /nfs/dbraw/zinc/53/08/92/896530892.db2.gz SRUSBLZIEGABDT-TZIWHRDSSA-N 1 0 409.599 4.403 20 30 HIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000481347007 896718822 /nfs/dbraw/zinc/71/88/22/896718822.db2.gz LOHVGPGDMZHIOX-ZUOKHONESA-N 1 0 417.962 4.456 20 30 HIEDRO C=C(C)[C@@H]([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(F)c(F)c1 ZINC000481615564 896997617 /nfs/dbraw/zinc/99/76/17/896997617.db2.gz SURJWBBIDWVDEQ-LJQANCHMSA-N 1 0 403.385 4.078 20 30 HIEDRO N#CCSc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000481887707 897262458 /nfs/dbraw/zinc/26/24/58/897262458.db2.gz MABHXORXUZYREB-GMAHTHKFSA-N 1 0 405.567 4.429 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000481990805 897385928 /nfs/dbraw/zinc/38/59/28/897385928.db2.gz MXLGIOFDJBBDKT-UNMCSNQZSA-N 1 0 401.489 4.328 20 30 HIEDRO COc1cc(I)c(Cl)cc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000482004309 897400991 /nfs/dbraw/zinc/40/09/91/897400991.db2.gz VWZSIFPOEVZNRK-PWSUYJOCSA-N 1 0 404.679 4.125 20 30 HIEDRO Cc1nc2ccccc2n1C1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000482875718 898488626 /nfs/dbraw/zinc/48/86/26/898488626.db2.gz MPYPAJCDGZWATL-IBGZPJMESA-N 1 0 415.541 4.317 20 30 HIEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(n2c(C)nc3ccccc32)CC1 ZINC000482888606 898504736 /nfs/dbraw/zinc/50/47/36/898504736.db2.gz SJMKLDQFRPPSDU-QFIPXVFZSA-N 1 0 405.542 4.150 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(-n2cncn2)cc1Cl ZINC000482892859 898511524 /nfs/dbraw/zinc/51/15/24/898511524.db2.gz VFLAGJFKDWLEQU-RDJZCZTQSA-N 1 0 424.911 4.251 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000482927206 898547021 /nfs/dbraw/zinc/54/70/21/898547021.db2.gz LGCWKGXPFVAYBL-FQEVSTJZSA-N 1 0 412.599 4.029 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482930751 898551096 /nfs/dbraw/zinc/55/10/96/898551096.db2.gz UYAIUXJXLIGFRH-GMAHTHKFSA-N 1 0 418.541 4.475 20 30 HIEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC[C@H]21 ZINC000482989957 898631630 /nfs/dbraw/zinc/63/16/30/898631630.db2.gz VQQKPBDAFODKMQ-HYBUGGRVSA-N 1 0 418.541 4.280 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000505583626 914290944 /nfs/dbraw/zinc/29/09/44/914290944.db2.gz DINKWYKHOPDJES-RBBKRZOGSA-N 1 0 419.569 4.161 20 30 HIEDRO OC[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1ccc(Cl)cc1C(F)(F)F ZINC000483244443 898886829 /nfs/dbraw/zinc/88/68/29/898886829.db2.gz ZGMOXLNHDWHYGN-LLVKDONJSA-N 1 0 415.708 4.196 20 30 HIEDRO COc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483343343 898973923 /nfs/dbraw/zinc/97/39/23/898973923.db2.gz ZDYSYQADCTVQOH-RBBKRZOGSA-N 1 0 404.514 4.085 20 30 HIEDRO CS[C@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000483385021 899020378 /nfs/dbraw/zinc/02/03/78/899020378.db2.gz KQQQOAFVVOAPLQ-GMAHTHKFSA-N 1 0 421.566 4.311 20 30 HIEDRO Cc1cc(-c2noc([C@H](C)NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2)ccc1F ZINC000483640844 899296621 /nfs/dbraw/zinc/29/66/21/899296621.db2.gz SJDDMKCKNHTPSF-KRWDZBQOSA-N 1 0 419.504 4.371 20 30 HIEDRO C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000505636349 914336689 /nfs/dbraw/zinc/33/66/89/914336689.db2.gz OZRTXOLAZZTBEU-GAJHUEQPSA-N 1 0 400.482 4.167 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCCC[C@@H]3C(F)(F)F)CC2)cc1 ZINC000484008406 899645278 /nfs/dbraw/zinc/64/52/78/899645278.db2.gz MKQCROKIOPFMBF-UXHICEINSA-N 1 0 422.495 4.144 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1CCCC[C@H]1c1ccccc1 ZINC000484620084 900074617 /nfs/dbraw/zinc/07/46/17/900074617.db2.gz SKNWUCPXTNHUMZ-GMAHTHKFSA-N 1 0 422.573 4.268 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1C#N ZINC000484658808 900102795 /nfs/dbraw/zinc/10/27/95/900102795.db2.gz XGOMBPXPXQCZSF-LEWJYISDSA-N 1 0 408.550 4.000 20 30 HIEDRO N#Cc1ccc(C(F)(F)F)nc1NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000484820274 900221869 /nfs/dbraw/zinc/22/18/69/900221869.db2.gz LKHWXUWVLMZGEF-UHFFFAOYSA-N 1 0 418.463 4.455 20 30 HIEDRO Cc1ccc(C[C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccccn2)cc1 ZINC000484912344 900289863 /nfs/dbraw/zinc/28/98/63/900289863.db2.gz XNVPTSZTLOOHIQ-LOSJGSFVSA-N 1 0 410.521 4.331 20 30 HIEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C[C@H]1C ZINC000484991737 900344614 /nfs/dbraw/zinc/34/46/14/900344614.db2.gz BVIQUKBYCPWEEA-VGSWGCGISA-N 1 0 419.529 4.147 20 30 HIEDRO C[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485162922 900461721 /nfs/dbraw/zinc/46/17/21/900461721.db2.gz SQADNZDRFUNOJM-AEFFLSMTSA-N 1 0 401.470 4.337 20 30 HIEDRO C=CCSc1ccccc1C(=O)NCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000485469090 900763110 /nfs/dbraw/zinc/76/31/10/900763110.db2.gz VCRGUIUKYQEPKD-QFIPXVFZSA-N 1 0 409.599 4.073 20 30 HIEDRO C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000485491792 900781713 /nfs/dbraw/zinc/78/17/13/900781713.db2.gz OHIRUFAAODTWFW-HXUWFJFHSA-N 1 0 423.582 4.383 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CC)c2cc(F)cc(Br)c2)CC1 ZINC000486187823 901373559 /nfs/dbraw/zinc/37/35/59/901373559.db2.gz LIEMUAFBTVUIME-GOSISDBHSA-N 1 0 412.347 4.379 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1)C(C)C ZINC000486287431 901470031 /nfs/dbraw/zinc/47/00/31/901470031.db2.gz ABHUKBDEDUOMPH-UHFFFAOYSA-N 1 0 407.514 4.249 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000505910843 914554452 /nfs/dbraw/zinc/55/44/52/914554452.db2.gz DFTHIXHYXZCHSS-TZIWHRDSSA-N 1 0 421.541 4.457 20 30 HIEDRO N#Cc1cc(C(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)ccc1F ZINC000505924030 914571265 /nfs/dbraw/zinc/57/12/65/914571265.db2.gz ZVFUYRRKCHVBFU-UHFFFAOYSA-N 1 0 405.395 4.064 20 30 HIEDRO N#Cc1ccccc1OCC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486819523 901872765 /nfs/dbraw/zinc/87/27/65/901872765.db2.gz DCVIWDACGCPJFY-HYBUGGRVSA-N 1 0 400.482 4.041 20 30 HIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(-c4ccc(F)cc4)s3)C2=O)cc1 ZINC000486861818 901906833 /nfs/dbraw/zinc/90/68/33/901906833.db2.gz AWPHHVCKCGCHRP-NRFANRHFSA-N 1 0 405.498 4.317 20 30 HIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cc(Cl)cc(C(F)(F)F)c3)C2=O)cc1 ZINC000486876067 901921374 /nfs/dbraw/zinc/92/13/74/901921374.db2.gz BFMKCJAWFOLKCB-SFHVURJKSA-N 1 0 407.823 4.121 20 30 HIEDRO C=CCc1cc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc(OC)c1OC ZINC000505930945 914582485 /nfs/dbraw/zinc/58/24/85/914582485.db2.gz USZKKKRPZZDFJW-OALUTQOASA-N 1 0 400.563 4.159 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1C#N ZINC000505935921 914587557 /nfs/dbraw/zinc/58/75/57/914587557.db2.gz QWILGVPSAGWLKP-IRXDYDNUSA-N 1 0 412.603 4.279 20 30 HIEDRO COc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccccc3C(C)(C)C#N)CC2)cc1 ZINC000487367619 902163501 /nfs/dbraw/zinc/16/35/01/902163501.db2.gz RQUFURGVHSSLPA-UHFFFAOYSA-N 1 0 419.569 4.163 20 30 HIEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(COc3ccccc3C#N)o2)c1 ZINC000487620909 902254288 /nfs/dbraw/zinc/25/42/88/902254288.db2.gz GFRHERBDIDBBOX-UHFFFAOYSA-N 1 0 417.509 4.243 20 30 HIEDRO N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000487845763 902403796 /nfs/dbraw/zinc/40/37/96/902403796.db2.gz SSMCOQNJQLIYHI-NRFANRHFSA-N 1 0 421.541 4.458 20 30 HIEDRO C[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000487965066 902489670 /nfs/dbraw/zinc/48/96/70/902489670.db2.gz DEWKCNUJAPMQMF-ZFWWWQNUSA-N 1 0 405.340 4.095 20 30 HIEDRO CC(C)CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488457155 902834141 /nfs/dbraw/zinc/83/41/41/902834141.db2.gz AAQNJVQDUUITDL-NTKDMRAZSA-N 1 0 405.542 4.435 20 30 HIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCc4c3ccc(Cl)c4Cl)C2=O)cc1 ZINC000488464564 902838845 /nfs/dbraw/zinc/83/88/45/902838845.db2.gz JYXJCLSGTNFQQG-MOPGFXCFSA-N 1 0 400.309 4.243 20 30 HIEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000489815517 903610129 /nfs/dbraw/zinc/61/01/29/903610129.db2.gz WJGOGEXBCTUDMG-GOTSBHOMSA-N 1 0 408.521 4.282 20 30 HIEDRO C[C@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000489866793 903638312 /nfs/dbraw/zinc/63/83/12/903638312.db2.gz SJAMSVIJTNSDNF-RHSMWYFYSA-N 1 0 413.319 4.127 20 30 HIEDRO CC(C)(C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cc(F)cc(C#N)c1 ZINC000506059589 914764235 /nfs/dbraw/zinc/76/42/35/914764235.db2.gz KHULVWMOUDWLEQ-UHFFFAOYSA-N 1 0 413.924 4.409 20 30 HIEDRO Cn1c2ccccc2cc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c1=O ZINC000491472434 904615624 /nfs/dbraw/zinc/61/56/24/904615624.db2.gz UTAOPLVVWBNGLJ-UHFFFAOYSA-N 1 0 409.489 4.279 20 30 HIEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)C2)CC1 ZINC000491501856 904626042 /nfs/dbraw/zinc/62/60/42/904626042.db2.gz CTSJLPPFNFYIDM-QGZVFWFLSA-N 1 0 406.477 4.135 20 30 HIEDRO C[C@@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1c[nH]c2ccccc21 ZINC000493046541 905002105 /nfs/dbraw/zinc/00/21/05/905002105.db2.gz DVTAOIRKDIIBLY-IBGZPJMESA-N 1 0 400.526 4.268 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000493982746 905325104 /nfs/dbraw/zinc/32/51/04/905325104.db2.gz BKTMPUVWROMMKH-RXVVDRJESA-N 1 0 404.482 4.301 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOc1cccc(Cl)c1Cl ZINC000494360695 905662414 /nfs/dbraw/zinc/66/24/14/905662414.db2.gz SPPSQZZBFLUCOB-UHFFFAOYSA-N 1 0 420.340 4.224 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1 ZINC000494484351 905767702 /nfs/dbraw/zinc/76/77/02/905767702.db2.gz JZVJDSZDQHLDDZ-GGAORHGYSA-N 1 0 411.933 4.323 20 30 HIEDRO COc1cc(C[NH2+][C@@H](CO)c2sccc2C)ccc1OCc1cccc(C#N)c1 ZINC000494674580 905893907 /nfs/dbraw/zinc/89/39/07/905893907.db2.gz QMMAQAOCKZWXPR-FQEVSTJZSA-N 1 0 408.523 4.339 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H](CCO)C2CCCCC2)sc2c1CCCCC2 ZINC000495396518 906425116 /nfs/dbraw/zinc/42/51/16/906425116.db2.gz PTMOZIAWOIOXJD-IBGZPJMESA-N 1 0 403.592 4.138 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)Cc3ccc4ccccc4c3)CC2)c(F)c1 ZINC000512805778 921315289 /nfs/dbraw/zinc/31/52/89/921315289.db2.gz LYEAMRWKIVRBKL-QFIPXVFZSA-N 1 0 404.485 4.297 20 30 HIEDRO CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512832813 921336423 /nfs/dbraw/zinc/33/64/23/921336423.db2.gz JWFRZRQMXFPGBJ-IBGZPJMESA-N 1 0 414.481 4.035 20 30 HIEDRO COc1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)ccc1OC(F)F ZINC000512845467 921349331 /nfs/dbraw/zinc/34/93/31/921349331.db2.gz SKSQKZVWJPHQHX-UHFFFAOYSA-N 1 0 406.404 4.351 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CSCc1ccc(Cl)cc1 ZINC000498372039 907863485 /nfs/dbraw/zinc/86/34/85/907863485.db2.gz GKYVQFCECDOILX-UHFFFAOYSA-N 1 0 401.963 4.035 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000498380462 907869757 /nfs/dbraw/zinc/86/97/57/907869757.db2.gz IIBUIOZUZAZOIN-VQTJNVASSA-N 1 0 415.459 4.271 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(Cl)cc2)on1 ZINC000498381481 907869829 /nfs/dbraw/zinc/86/98/29/907869829.db2.gz CVLURMOFAURLBJ-UHFFFAOYSA-N 1 0 408.889 4.071 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1C#N ZINC000498501471 907975130 /nfs/dbraw/zinc/97/51/30/907975130.db2.gz AESPELVFHOMFLV-QGZVFWFLSA-N 1 0 412.603 4.137 20 30 HIEDRO C[C@](CO)([NH2+]Cc1cccc(OCCCC#N)c1)c1ccc(Br)cc1 ZINC000512894307 921387565 /nfs/dbraw/zinc/38/75/65/921387565.db2.gz JBLIPJQVGUEFRE-HXUWFJFHSA-N 1 0 403.320 4.129 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498715744 908141709 /nfs/dbraw/zinc/14/17/09/908141709.db2.gz OJEUCRFJMQBDCS-SIKLNZKXSA-N 1 0 422.529 4.203 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000499056419 908427930 /nfs/dbraw/zinc/42/79/30/908427930.db2.gz PAJZRGNQUYJGIX-LEWJYISDSA-N 1 0 415.459 4.271 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000499194576 908548832 /nfs/dbraw/zinc/54/88/32/908548832.db2.gz PLFUBALSEHLXJN-NZQKXSOJSA-N 1 0 409.578 4.215 20 30 HIEDRO C[C@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000499576904 908845055 /nfs/dbraw/zinc/84/50/55/908845055.db2.gz RPAAAQSSANZKPU-QFBILLFUSA-N 1 0 407.352 4.311 20 30 HIEDRO N#CC1(CCC[NH+]2CCC(Oc3cccc(Br)c3)CC2)CCOCC1 ZINC000499625235 908859202 /nfs/dbraw/zinc/85/92/02/908859202.db2.gz KUQCYRGXPIIKQY-UHFFFAOYSA-N 1 0 407.352 4.393 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)[C@H](Oc2ccc(F)cc2Cl)c2ccccc2)CC1 ZINC000500748974 910058511 /nfs/dbraw/zinc/05/85/11/910058511.db2.gz PMMNDFAKEKEKQX-OAQYLSRUSA-N 1 0 402.897 4.366 20 30 HIEDRO C[S@](=O)Cc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000513100189 921548883 /nfs/dbraw/zinc/54/88/83/921548883.db2.gz HVVFXLSGJPBASE-LJAQVGFWSA-N 1 0 404.535 4.306 20 30 HIEDRO C=CCc1cc(C[NH2+][C@@H]2CCN(c3ccccc3Br)C2)cc(OC)c1O ZINC000500902203 910171559 /nfs/dbraw/zinc/17/15/59/910171559.db2.gz VZHIBULADDBVPF-QGZVFWFLSA-N 1 0 417.347 4.260 20 30 HIEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000501021550 910239677 /nfs/dbraw/zinc/23/96/77/910239677.db2.gz QYZSMKFJOSZQQW-HDICACEKSA-N 1 0 409.530 4.217 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)Cc1ccccc1 ZINC000513134850 921577254 /nfs/dbraw/zinc/57/72/54/921577254.db2.gz CUJGPERRMKENTB-DEOSSOPVSA-N 1 0 413.521 4.040 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501836865 910878268 /nfs/dbraw/zinc/87/82/68/910878268.db2.gz YNMSSTINLFKZDW-CTNGQTDRSA-N 1 0 401.599 4.205 20 30 HIEDRO C[C@@H](CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000502178615 911103915 /nfs/dbraw/zinc/10/39/15/911103915.db2.gz QMUHDWMZVNKSJX-FQEVSTJZSA-N 1 0 402.542 4.268 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000502829167 911842854 /nfs/dbraw/zinc/84/28/54/911842854.db2.gz QTSOJWZQEMIHQL-QHCPKHFHSA-N 1 0 403.526 4.228 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H]2CCCC23CCOCC3)sc2c1CCCCC2 ZINC000502839023 911851196 /nfs/dbraw/zinc/85/11/96/911851196.db2.gz CUOCGNZBMBEMGT-LJQANCHMSA-N 1 0 401.576 4.156 20 30 HIEDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1 ZINC000513336912 921723536 /nfs/dbraw/zinc/72/35/36/921723536.db2.gz XWWZLYGFXIVJPG-LJQANCHMSA-N 1 0 400.320 4.286 20 30 HIEDRO Cc1ccccc1[C@H](OC[C@@H](O)C[N@@H+](C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000506309391 914898966 /nfs/dbraw/zinc/89/89/66/914898966.db2.gz SXYAVKFAFNUJTR-AZGAKELHSA-N 1 0 400.522 4.466 20 30 HIEDRO CC[NH+](CC)[C@@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)c1ccccc1 ZINC000506527688 915167135 /nfs/dbraw/zinc/16/71/35/915167135.db2.gz PPUCUXWGCYDVOI-RTBURBONSA-N 1 0 400.320 4.213 20 30 HIEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2sc3ccc(C#N)cc3c2C)c1 ZINC000506532617 915173548 /nfs/dbraw/zinc/17/35/48/915173548.db2.gz QFMXZYIYRBSTOF-UHFFFAOYSA-N 1 0 407.539 4.294 20 30 HIEDRO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)cc1OCCCC#N ZINC000506743352 915431032 /nfs/dbraw/zinc/43/10/32/915431032.db2.gz LGGCKTBHOBEKQH-UHFFFAOYSA-N 1 0 407.514 4.228 20 30 HIEDRO C[C@H]1C[C@H](N(C)C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513406203 921774872 /nfs/dbraw/zinc/77/48/72/921774872.db2.gz OEIXTVQPUUDUFC-FDDCHVKYSA-N 1 0 407.533 4.486 20 30 HIEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000507254407 916016132 /nfs/dbraw/zinc/01/61/32/916016132.db2.gz QXSVKTBXCWPJLR-FRIYVGAWSA-N 1 0 400.542 4.021 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)C2CC[NH+](C(C)C)CC2)c1C#N ZINC000507360963 916116412 /nfs/dbraw/zinc/11/64/12/916116412.db2.gz NZFSMIKCSNLUKP-UHFFFAOYSA-N 1 0 413.610 4.225 20 30 HIEDRO COc1ccc(C[N@H+]2CC=C(c3ccc4c(c3)OCCO4)CC2)cc1OCCCC#N ZINC000507701450 916484496 /nfs/dbraw/zinc/48/44/96/916484496.db2.gz FPFFMXWDRWFKFA-UHFFFAOYSA-N 1 0 420.509 4.438 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(Br)cc3F)CC2)nc1 ZINC000507749020 916540277 /nfs/dbraw/zinc/54/02/77/916540277.db2.gz QTMKPSCJTALFCU-UHFFFAOYSA-N 1 0 404.283 4.335 20 30 HIEDRO CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000507955518 916814823 /nfs/dbraw/zinc/81/48/23/916814823.db2.gz YYJRXJPACSUNSB-ACBHZAAOSA-N 1 0 401.526 4.156 20 30 HIEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000508083136 916901244 /nfs/dbraw/zinc/90/12/44/916901244.db2.gz AMFCYKWMZSEEOC-FQEVSTJZSA-N 1 0 408.550 4.028 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000508243646 917061053 /nfs/dbraw/zinc/06/10/53/917061053.db2.gz RVKYPEQDBIFMED-OALUTQOASA-N 1 0 406.486 4.107 20 30 HIEDRO CC(C)[NH+](CCn1c(SC[C@H](C#N)CCC#N)nc2ccccc2c1=O)C(C)C ZINC000508340616 917142784 /nfs/dbraw/zinc/14/27/84/917142784.db2.gz OGLJAPDLGJSSIB-SFHVURJKSA-N 1 0 411.575 4.051 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000508431389 917219417 /nfs/dbraw/zinc/21/94/17/917219417.db2.gz QPSJUXDXRNKXLP-HKUYNNGSSA-N 1 0 422.495 4.424 20 30 HIEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508464446 917247755 /nfs/dbraw/zinc/24/77/55/917247755.db2.gz MIFPXWORBIPJFJ-YADHBBJMSA-N 1 0 423.605 4.442 20 30 HIEDRO C=CCn1c(-c2ccoc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508474960 917258693 /nfs/dbraw/zinc/25/86/93/917258693.db2.gz WYOFJLXQQGDKBQ-IFMALSPDSA-N 1 0 403.530 4.215 20 30 HIEDRO C=CCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508480864 917264995 /nfs/dbraw/zinc/26/49/95/917264995.db2.gz LAHJQTNFCFJJEV-INIZCTEOSA-N 1 0 418.383 4.062 20 30 HIEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000508482569 917267755 /nfs/dbraw/zinc/26/77/55/917267755.db2.gz YQEBUIMMZMUMJF-OAQYLSRUSA-N 1 0 411.569 4.142 20 30 HIEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CCC)C1 ZINC000508499145 917283587 /nfs/dbraw/zinc/28/35/87/917283587.db2.gz XNCHRZORDWXURT-KSEOMHKRSA-N 1 0 409.578 4.053 20 30 HIEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508502970 917286543 /nfs/dbraw/zinc/28/65/43/917286543.db2.gz DEXLICBEPZBQQX-NFBKMPQASA-N 1 0 421.589 4.113 20 30 HIEDRO C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508505972 917291461 /nfs/dbraw/zinc/29/14/61/917291461.db2.gz DHKAAIDRVQRZKC-GOSISDBHSA-N 1 0 418.010 4.474 20 30 HIEDRO C[S@](=O)C[C@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1ccccc1 ZINC000508649430 917414583 /nfs/dbraw/zinc/41/45/83/917414583.db2.gz AWGVXUVEGSXERN-OUTSHDOLSA-N 1 0 404.535 4.347 20 30 HIEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508730269 917491851 /nfs/dbraw/zinc/49/18/51/917491851.db2.gz OCMUSCITJVVVMD-AUSIDOKSSA-N 1 0 414.557 4.132 20 30 HIEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508736209 917496435 /nfs/dbraw/zinc/49/64/35/917496435.db2.gz ZEYKNEGOYJQCDE-LJQANCHMSA-N 1 0 404.562 4.156 20 30 HIEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508745552 917503828 /nfs/dbraw/zinc/50/38/28/917503828.db2.gz GDLRFMKYMKSENI-VXKWHMMOSA-N 1 0 423.605 4.442 20 30 HIEDRO C=CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508798446 917554222 /nfs/dbraw/zinc/55/42/22/917554222.db2.gz SSAUFOFHWNEBOO-WOJBJXKFSA-N 1 0 411.569 4.285 20 30 HIEDRO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508803256 917559079 /nfs/dbraw/zinc/55/90/79/917559079.db2.gz WAEWPDKLFKGPOP-UHFFFAOYSA-N 1 0 417.504 4.045 20 30 HIEDRO C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508829211 917581852 /nfs/dbraw/zinc/58/18/52/917581852.db2.gz SIVMGGSUKMHLIA-LEWJYISDSA-N 1 0 423.605 4.154 20 30 HIEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508850913 917604097 /nfs/dbraw/zinc/60/40/97/917604097.db2.gz WXZBZGRALQFEED-TZIWHRDSSA-N 1 0 404.562 4.094 20 30 HIEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508884734 917637828 /nfs/dbraw/zinc/63/78/28/917637828.db2.gz JEFOICTZIIOZTD-UNMCSNQZSA-N 1 0 421.589 4.113 20 30 HIEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000508893897 917649324 /nfs/dbraw/zinc/64/93/24/917649324.db2.gz IZOKHHCTYWZCDT-QFIPXVFZSA-N 1 0 423.605 4.178 20 30 HIEDRO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508936649 917693067 /nfs/dbraw/zinc/69/30/67/917693067.db2.gz SLMLNAOAPRVTTQ-MGPUTAFESA-N 1 0 415.944 4.377 20 30 HIEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508936918 917693582 /nfs/dbraw/zinc/69/35/82/917693582.db2.gz APWYPIJBAVQJPK-KNQAVFIVSA-N 1 0 414.557 4.132 20 30 HIEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000508938347 917694679 /nfs/dbraw/zinc/69/46/79/917694679.db2.gz IZIWTRCYCXUKTD-UHFFFAOYSA-N 1 0 423.586 4.086 20 30 HIEDRO C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000509000357 917754900 /nfs/dbraw/zinc/75/49/00/917754900.db2.gz JWTHEHFFRLZYFL-INIZCTEOSA-N 1 0 418.383 4.062 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1C#N ZINC000509500971 918146788 /nfs/dbraw/zinc/14/67/88/918146788.db2.gz BXWMVAKRXIVCJX-CRAIPNDOSA-N 1 0 406.555 4.118 20 30 HIEDRO CC[N@@H+]1CCC[C@@H](CN(C)c2cc(C#N)ccc2C(F)(F)F)[C@@H]1c1cnn(C)c1 ZINC000509601284 918252443 /nfs/dbraw/zinc/25/24/43/918252443.db2.gz OOAKRKVRNRAMIJ-OXJNMPFZSA-N 1 0 405.468 4.220 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000510050936 918621005 /nfs/dbraw/zinc/62/10/05/918621005.db2.gz RCAVXRBNMUHITL-BGYRXZFFSA-N 1 0 401.535 4.285 20 30 HIEDRO CCC[N@H+](Cc1cn2ccccc2c1C#N)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000510247773 918784594 /nfs/dbraw/zinc/78/45/94/918784594.db2.gz AIMABLBAYAGYET-UHFFFAOYSA-N 1 0 402.546 4.099 20 30 HIEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1occc1COc1cccc(C#N)c1)[NH+](C)C ZINC000510539906 918985296 /nfs/dbraw/zinc/98/52/96/918985296.db2.gz OCDOBIWRCDRTNN-WZONZLPQSA-N 1 0 417.509 4.460 20 30 HIEDRO Cc1ccc(Cc2nc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cs2)cc1 ZINC000510567803 919010984 /nfs/dbraw/zinc/01/09/84/919010984.db2.gz CTZOBFSMNDFWGM-UHFFFAOYSA-N 1 0 418.566 4.118 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+](CCO)[C@H]2CCc3ccccc32)sc2c1CCCCC2 ZINC000510636684 919076440 /nfs/dbraw/zinc/07/64/40/919076440.db2.gz CLIPCKCFKKYRHC-NRFANRHFSA-N 1 0 423.582 4.199 20 30 HIEDRO CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000510984336 919538708 /nfs/dbraw/zinc/53/87/08/919538708.db2.gz KCOKRJKADRUBDI-AREMUKBSSA-N 1 0 416.613 4.413 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(F)cc1 ZINC000511264347 919862540 /nfs/dbraw/zinc/86/25/40/919862540.db2.gz DQPSINJXCIUHLY-FQEVSTJZSA-N 1 0 423.517 4.169 20 30 HIEDRO C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1=CC[N@H+](C)CC1 ZINC000511291872 919888587 /nfs/dbraw/zinc/88/85/87/919888587.db2.gz WJJVVFHOXQLXBE-GOSISDBHSA-N 1 0 404.514 4.104 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000511322691 919914089 /nfs/dbraw/zinc/91/40/89/919914089.db2.gz RYGXNBSLMMBARL-SFTDATJTSA-N 1 0 404.514 4.080 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)cc1 ZINC000511391785 920000604 /nfs/dbraw/zinc/00/06/04/920000604.db2.gz RLSCEXSXXZXOPY-UHFFFAOYSA-N 1 0 420.557 4.156 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2ccccc2C[NH+]2CCC(C)CC2)cc1 ZINC000511401476 920015130 /nfs/dbraw/zinc/01/51/30/920015130.db2.gz YIYXYTNWXWGGLZ-UHFFFAOYSA-N 1 0 420.557 4.156 20 30 HIEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000511446551 920055758 /nfs/dbraw/zinc/05/57/58/920055758.db2.gz VNBDOXCRXSGWMN-UHFFFAOYSA-N 1 0 405.517 4.100 20 30 HIEDRO CC(C)(CCC#N)C[NH+]1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000511503105 920116487 /nfs/dbraw/zinc/11/64/87/920116487.db2.gz FZQHHGOEZVJQON-UHFFFAOYSA-N 1 0 412.538 4.049 20 30 HIEDRO N#CC(CC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CO)C1)(c1ccccc1)c1ccccc1 ZINC000511658313 920322433 /nfs/dbraw/zinc/32/24/33/920322433.db2.gz XGOSGHZXSTVFJS-NQIIRXRSSA-N 1 0 402.460 4.379 20 30 HIEDRO Cc1cc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)sc1Br ZINC000511760441 920443000 /nfs/dbraw/zinc/44/30/00/920443000.db2.gz XIEADOAEPUDXBC-CZUORRHYSA-N 1 0 418.360 4.142 20 30 HIEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000511807724 920502645 /nfs/dbraw/zinc/50/26/45/920502645.db2.gz FCINUOKXZBHRDU-VQTJNVASSA-N 1 0 422.472 4.277 20 30 HIEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000511873674 920606249 /nfs/dbraw/zinc/60/62/49/920606249.db2.gz KUTRKGGXVLSPLB-UXHICEINSA-N 1 0 401.432 4.119 20 30 HIEDRO COc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c(Br)c1 ZINC000511955937 920714057 /nfs/dbraw/zinc/71/40/57/920714057.db2.gz HLZUWZAFDCJMAB-UHFFFAOYSA-N 1 0 416.319 4.204 20 30 HIEDRO CC(C)[N@H+](C)Cc1cccc(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000511977305 920747175 /nfs/dbraw/zinc/74/71/75/920747175.db2.gz GAJATWZFPYXOJW-UHFFFAOYSA-N 1 0 422.548 4.070 20 30 HIEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H](CCO)c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000512215775 920964535 /nfs/dbraw/zinc/96/45/35/920964535.db2.gz XGSWLNBHCJWUQD-QGZVFWFLSA-N 1 0 412.704 4.170 20 30 HIEDRO COc1ccc(C2(C[NH2+][C@H](C)C(=O)Nc3cccc(C#N)c3)CCCCC2)cc1OC ZINC000512226288 920977891 /nfs/dbraw/zinc/97/78/91/920977891.db2.gz GBHQUEIQBFVEQB-GOSISDBHSA-N 1 0 421.541 4.394 20 30 HIEDRO C=CCc1cc(C[NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc(OC)c1O ZINC000512240064 920996563 /nfs/dbraw/zinc/99/65/63/920996563.db2.gz HDSDZVTWELTZPO-QGZVFWFLSA-N 1 0 422.447 4.396 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccc(F)cc1 ZINC000513535803 921876421 /nfs/dbraw/zinc/87/64/21/921876421.db2.gz ZXKWJLQFTBTJOJ-QHCPKHFHSA-N 1 0 417.484 4.309 20 30 HIEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000513541732 921880813 /nfs/dbraw/zinc/88/08/13/921880813.db2.gz VFKYBMUWSBHIQC-FQEVSTJZSA-N 1 0 405.542 4.379 20 30 HIEDRO N#Cc1cnc(Nc2ccc(C[NH+]3CCN(c4ccccn4)CC3)cc2)c(Cl)c1 ZINC000513620592 921949582 /nfs/dbraw/zinc/94/95/82/921949582.db2.gz SPDMMKXRRKRCLI-UHFFFAOYSA-N 1 0 404.905 4.067 20 30 HIEDRO COc1ccc2[nH]cc(C3CC[NH+]([C@H]4CCN(c5ccc(C#N)cc5)C4=O)CC3)c2c1 ZINC000513626095 921952978 /nfs/dbraw/zinc/95/29/78/921952978.db2.gz YNMUYCFJKZHZHL-DEOSSOPVSA-N 1 0 414.509 4.033 20 30 HIEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000514046207 922366853 /nfs/dbraw/zinc/36/68/53/922366853.db2.gz NZKTVYULIDQGFL-DHIUTWEWSA-N 1 0 406.505 4.036 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(COCC(F)(F)F)cc3)CC2)cc1 ZINC000514086785 922410311 /nfs/dbraw/zinc/41/03/11/922410311.db2.gz CYPRVRUIDFCFIQ-UHFFFAOYSA-N 1 0 403.448 4.396 20 30 HIEDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)ccc1OCC(C)C ZINC000514786856 922802601 /nfs/dbraw/zinc/80/26/01/922802601.db2.gz UIEOPXSHJDPKIJ-MSOLQXFVSA-N 1 0 401.551 4.112 20 30 HIEDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)C(=O)N(CCC#N)c1ccccc1 ZINC000514820657 922814953 /nfs/dbraw/zinc/81/49/53/922814953.db2.gz VBYPGMVTDRFAOC-WMZHIEFXSA-N 1 0 403.526 4.006 20 30 HIEDRO C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000514850682 922824088 /nfs/dbraw/zinc/82/40/88/922824088.db2.gz BWZPJINDRGCZJQ-UUOWRZLLSA-N 1 0 414.553 4.486 20 30 HIEDRO CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000515218870 923001242 /nfs/dbraw/zinc/00/12/42/923001242.db2.gz ZYFXUOFYPFLQSQ-UHFFFAOYSA-N 1 0 413.591 4.437 20 30 HIEDRO CCC[N@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000515479717 923127634 /nfs/dbraw/zinc/12/76/34/923127634.db2.gz GFXVFGUTUDSFRM-UHFFFAOYSA-N 1 0 403.448 4.361 20 30 HIEDRO CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000516217531 923606055 /nfs/dbraw/zinc/60/60/55/923606055.db2.gz MNYDXVJNZUFURO-AOMKIAJQSA-N 1 0 409.509 4.165 20 30 HIEDRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)ccc1OC1CCCC1 ZINC000516989426 923954635 /nfs/dbraw/zinc/95/46/35/923954635.db2.gz DJQRTRDVLYHYRB-HTAPYJJXSA-N 1 0 419.525 4.344 20 30 HIEDRO C[C@@H](O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCCC1 ZINC000517119497 924008048 /nfs/dbraw/zinc/00/80/48/924008048.db2.gz XALBSPNSSVJJPG-MRXNPFEDSA-N 1 0 403.592 4.233 20 30 HIEDRO C[C@H](O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCCC1 ZINC000517119496 924008414 /nfs/dbraw/zinc/00/84/14/924008414.db2.gz XALBSPNSSVJJPG-INIZCTEOSA-N 1 0 403.592 4.233 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000517500861 924231792 /nfs/dbraw/zinc/23/17/92/924231792.db2.gz SLFVFCMCQBVSJZ-UHFFFAOYSA-N 1 0 424.589 4.070 20 30 HIEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000517654596 926762152 /nfs/dbraw/zinc/76/21/52/926762152.db2.gz ZJVBZDRUTAXGSZ-AVRDEDQJSA-N 1 0 412.493 4.311 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000517744722 926820192 /nfs/dbraw/zinc/82/01/92/926820192.db2.gz CRJLVXLAZYMLHL-OAQYLSRUSA-N 1 0 422.529 4.052 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000518097236 927019842 /nfs/dbraw/zinc/01/98/42/927019842.db2.gz AMJXLFPUEUBBSX-FQEVSTJZSA-N 1 0 420.513 4.451 20 30 HIEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H](C(F)(F)F)C1 ZINC000518406464 927247502 /nfs/dbraw/zinc/24/75/02/927247502.db2.gz YMUVLMOQNSOTGD-VXGBXAGGSA-N 1 0 405.367 4.007 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1C#N ZINC000518813075 927509583 /nfs/dbraw/zinc/50/95/83/927509583.db2.gz ZBAXVTPKZGOITE-UHFFFAOYSA-N 1 0 412.603 4.281 20 30 HIEDRO COc1ccc(C#N)cc1NC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000518837177 927536425 /nfs/dbraw/zinc/53/64/25/927536425.db2.gz HVFFRPUMUIIWEX-UHFFFAOYSA-N 1 0 420.557 4.423 20 30 HIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000518867227 927576097 /nfs/dbraw/zinc/57/60/97/927576097.db2.gz RJUUFZIXMFPYTF-QWFCFKBJSA-N 1 0 407.514 4.208 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)CC1 ZINC000519274836 927858793 /nfs/dbraw/zinc/85/87/93/927858793.db2.gz UFVOONGNUZNMGH-UHFFFAOYSA-N 1 0 417.962 4.342 20 30 HIEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726115 928060178 /nfs/dbraw/zinc/06/01/78/928060178.db2.gz QTOGXSCVEIJGHG-SFTDATJTSA-N 1 0 424.614 4.146 20 30 HIEDRO Cn1cc(-c2ccc3c(c2)C(C)(C)CN3CC2C[NH+](CC(C)(C)CCC#N)C2)cn1 ZINC000519836166 928086988 /nfs/dbraw/zinc/08/69/88/928086988.db2.gz GSDZNJKOAKLUHO-UHFFFAOYSA-N 1 0 405.590 4.446 20 30 HIEDRO C=CCOc1ccc(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)cc1Cl ZINC000520215877 928394473 /nfs/dbraw/zinc/39/44/73/928394473.db2.gz XJKQVRQSUJPTJY-UHFFFAOYSA-N 1 0 400.327 4.122 20 30 HIEDRO C[C@H](Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000520246393 928413953 /nfs/dbraw/zinc/41/39/53/928413953.db2.gz GCFVBRXWVUPERD-VEDPWSRISA-N 1 0 421.585 4.026 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000520247847 928416920 /nfs/dbraw/zinc/41/69/20/928416920.db2.gz WZCFSCKVVSCOCX-UHFFFAOYSA-N 1 0 403.438 4.214 20 30 HIEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000520778478 928812985 /nfs/dbraw/zinc/81/29/85/928812985.db2.gz DINNROOVRDOFIQ-RSXGOPAZSA-N 1 0 417.553 4.086 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)c2)cc1 ZINC000520786909 928818478 /nfs/dbraw/zinc/81/84/78/928818478.db2.gz NMGISOZOIJFXPL-QHCPKHFHSA-N 1 0 418.541 4.424 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccco1 ZINC000520830845 928836207 /nfs/dbraw/zinc/83/62/07/928836207.db2.gz BCUVJTZCGUSSCN-IBGZPJMESA-N 1 0 423.542 4.403 20 30 HIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](c2ccc(OC)cc2)N2CCOCC2)cc1Cl ZINC000520956162 928888355 /nfs/dbraw/zinc/88/83/55/928888355.db2.gz CHGNKUIVAZZCEE-QFIPXVFZSA-N 1 0 416.949 4.077 20 30 HIEDRO N#Cc1ccc(N2CC[C@H](C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)C2)c(F)c1 ZINC000521287847 929102487 /nfs/dbraw/zinc/10/24/87/929102487.db2.gz CIXOQGZOEFZKRU-FQEVSTJZSA-N 1 0 406.505 4.148 20 30 HIEDRO Cc1nc(SCC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)c(C#N)c(C)c1C ZINC000521339934 929155623 /nfs/dbraw/zinc/15/56/23/929155623.db2.gz HXKAUMNJFIYNMK-GOSISDBHSA-N 1 0 410.587 4.216 20 30 HIEDRO Cc1ccc([C@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)[NH+](C)C)cc1 ZINC000521488941 929248458 /nfs/dbraw/zinc/24/84/58/929248458.db2.gz GUZZHOGYAIPDBR-VWLOTQADSA-N 1 0 413.521 4.478 20 30 HIEDRO N#Cc1cccc(Oc2ccc(NC(=O)NCC3([NH+]4CCCC4)CCOCC3)cc2)c1 ZINC000521811754 929470122 /nfs/dbraw/zinc/47/01/22/929470122.db2.gz SLQVEEFBVADEMV-UHFFFAOYSA-N 1 0 420.513 4.117 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000524668974 929783106 /nfs/dbraw/zinc/78/31/06/929783106.db2.gz HHPPCRQWZRTTBC-UHFFFAOYSA-N 1 0 420.532 4.450 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCCCC[C@@H]1CC(C)C ZINC000524908548 929883929 /nfs/dbraw/zinc/88/39/29/929883929.db2.gz YRTQXLCTWMTVJX-HXUWFJFHSA-N 1 0 402.583 4.242 20 30 HIEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1OC ZINC000525248421 930104944 /nfs/dbraw/zinc/10/49/44/930104944.db2.gz WHJQPHKNLMPEBL-SJORKVTESA-N 1 0 413.493 4.219 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCCSCc1ccccc1C#N ZINC000525399770 930219489 /nfs/dbraw/zinc/21/94/89/930219489.db2.gz BEDPMJBKELWCBE-FQEVSTJZSA-N 1 0 422.598 4.097 20 30 HIEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)CC1 ZINC000530726856 930809112 /nfs/dbraw/zinc/80/91/12/930809112.db2.gz COBAXNIHFNYMCN-UHFFFAOYSA-N 1 0 418.419 4.058 20 30 HIEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000531553694 931101066 /nfs/dbraw/zinc/10/10/66/931101066.db2.gz LPJHPJMJPNQLMU-YPMHNXCESA-N 1 0 408.365 4.222 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCOc2ncc(Cl)cc2Cl)c(-c2ccccc2)n1 ZINC000531884562 931234065 /nfs/dbraw/zinc/23/40/65/931234065.db2.gz PYKXISKUYHXXLW-UHFFFAOYSA-N 1 0 416.312 4.334 20 30 HIEDRO C=C(C)CN1CCC([NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000532321909 931396904 /nfs/dbraw/zinc/39/69/04/931396904.db2.gz WISDDAFHIXCURU-UHFFFAOYSA-N 1 0 402.174 4.342 20 30 HIEDRO COC1CCC([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000532582117 931540314 /nfs/dbraw/zinc/54/03/14/931540314.db2.gz WEFPOQPVQXRHKJ-UHFFFAOYSA-N 1 0 400.567 4.310 20 30 HIEDRO N#Cc1ccc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1[N+](=O)[O-] ZINC000532759191 931624300 /nfs/dbraw/zinc/62/43/00/931624300.db2.gz ZSXCPUXTNKOCSO-UHFFFAOYSA-N 1 0 404.392 4.198 20 30 HIEDRO CC(C)([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)C(=O)NCC1CCCC1 ZINC000532905794 931688098 /nfs/dbraw/zinc/68/80/98/931688098.db2.gz ZTWDAAVYAFEEEC-UHFFFAOYSA-N 1 0 405.542 4.312 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)Cc2ccccc2F)c1C#N ZINC000532920374 931694744 /nfs/dbraw/zinc/69/47/44/931694744.db2.gz HKSDNWDVEVGLMC-UHFFFAOYSA-N 1 0 408.477 4.218 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[NH+](CC3CCCCC3)CC2)c1 ZINC000532926485 931699116 /nfs/dbraw/zinc/69/91/16/931699116.db2.gz OBAHIGKHIXJQLV-QFIPXVFZSA-N 1 0 410.606 4.137 20 30 HIEDRO COc1cc(C[NH+]2CCC(c3nc(C)no3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000532927236 931699168 /nfs/dbraw/zinc/69/91/68/931699168.db2.gz ZYZWEGLINOBKKX-UHFFFAOYSA-N 1 0 418.497 4.217 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000532964570 931715814 /nfs/dbraw/zinc/71/58/14/931715814.db2.gz UEAQNMJUZKRPIL-HXUWFJFHSA-N 1 0 401.470 4.164 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)cc1 ZINC000532964569 931715902 /nfs/dbraw/zinc/71/59/02/931715902.db2.gz UEAQNMJUZKRPIL-FQEVSTJZSA-N 1 0 401.470 4.164 20 30 HIEDRO COc1cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000532961728 931716500 /nfs/dbraw/zinc/71/65/00/931716500.db2.gz VNGYBZQIHIHJAF-HSZRJFAPSA-N 1 0 405.542 4.206 20 30 HIEDRO CC(C)(COc1ncccc1Br)[NH2+]Cc1cccc(OCCCC#N)c1 ZINC000532993528 931730592 /nfs/dbraw/zinc/73/05/92/931730592.db2.gz MXPDEXVYZMEMLN-UHFFFAOYSA-N 1 0 418.335 4.474 20 30 HIEDRO CCC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)Nc1ccccc1C ZINC000533238616 931816293 /nfs/dbraw/zinc/81/62/93/931816293.db2.gz OVRYUFKMOWPCAC-UHFFFAOYSA-N 1 0 412.921 4.199 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)C[C@H](C)c2ccccc2)c1C#N ZINC000533263460 931822940 /nfs/dbraw/zinc/82/29/40/931822940.db2.gz GLTKWBAFJSWDGZ-KRWDZBQOSA-N 1 0 404.514 4.292 20 30 HIEDRO C=CC1CC[NH+](CC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000533287148 931828100 /nfs/dbraw/zinc/82/81/00/931828100.db2.gz MJLCHFSUEKQBAU-IBGZPJMESA-N 1 0 405.542 4.356 20 30 HIEDRO N#CCCN(C(=O)C[NH2+]C1(c2ccc(Br)cc2)CCC1)c1ccccc1 ZINC000533355780 931847220 /nfs/dbraw/zinc/84/72/20/931847220.db2.gz PQYRXTMPWNQRCB-UHFFFAOYSA-N 1 0 412.331 4.365 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCC[C@H]([NH+]4CCCC4)CC3)sc2C1 ZINC000533426322 931865040 /nfs/dbraw/zinc/86/50/40/931865040.db2.gz IABHAIJEPCDNTG-MSOLQXFVSA-N 1 0 414.619 4.023 20 30 HIEDRO COc1ccc([C@@H]([NH2+]CCC(=O)Nc2sccc2C#N)c2ccc(F)cc2)cc1 ZINC000533514094 931891308 /nfs/dbraw/zinc/89/13/08/931891308.db2.gz CFDRTHGTLHRPSD-NRFANRHFSA-N 1 0 409.486 4.475 20 30 HIEDRO N#Cc1ccc(NC(=O)C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)cc1Cl ZINC000533520874 931892379 /nfs/dbraw/zinc/89/23/79/931892379.db2.gz HIZSYZAHKGPPLP-UHFFFAOYSA-N 1 0 404.297 4.099 20 30 HIEDRO Cc1ccc(Br)c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000534201995 932328549 /nfs/dbraw/zinc/32/85/49/932328549.db2.gz KYOZOUHSTVGVDO-UHFFFAOYSA-N 1 0 415.335 4.225 20 30 HIEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000534896128 932827416 /nfs/dbraw/zinc/82/74/16/932827416.db2.gz QKRLGTAFCXPFQD-GOSISDBHSA-N 1 0 415.921 4.091 20 30 HIEDRO Cc1cnc(CC[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)s1 ZINC000535118763 932935153 /nfs/dbraw/zinc/93/51/53/932935153.db2.gz UMMQTMQIQYHVNO-ZDUSSCGKSA-N 1 0 402.589 4.013 20 30 HIEDRO COc1ccc(C[C@@H](C)C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000535629393 933274480 /nfs/dbraw/zinc/27/44/80/933274480.db2.gz ZOTDJCDQDSZXAB-RTBURBONSA-N 1 0 411.521 4.280 20 30 HIEDRO C[C@H](NC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000535684315 933339976 /nfs/dbraw/zinc/33/99/76/933339976.db2.gz UKIXPQJLDXQBIL-DHUIEDIVSA-N 1 0 414.912 4.404 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ncc(Br)s1 ZINC000535987959 933546947 /nfs/dbraw/zinc/54/69/47/933546947.db2.gz NEWNBKFRSXHEDJ-WCQYABFASA-N 1 0 409.328 4.236 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ncc(Br)s1 ZINC000535987960 933548392 /nfs/dbraw/zinc/54/83/92/933548392.db2.gz NEWNBKFRSXHEDJ-YPMHNXCESA-N 1 0 409.328 4.236 20 30 HIEDRO COc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1Br ZINC000537293400 933701137 /nfs/dbraw/zinc/70/11/37/933701137.db2.gz QSDSCYVWRYMXHB-UHFFFAOYSA-N 1 0 414.347 4.084 20 30 HIEDRO C[C@H]([NH2+]Cc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1ccc(C#N)cc1 ZINC000537296702 933702039 /nfs/dbraw/zinc/70/20/39/933702039.db2.gz VSRMGOJKVITKTO-SFHVURJKSA-N 1 0 416.525 4.164 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000562580128 945102889 /nfs/dbraw/zinc/10/28/89/945102889.db2.gz YBJKWABWGHFXHL-RXVVDRJESA-N 1 0 404.432 4.272 20 30 HIEDRO N#CCCn1cc(CNc2cccc(C[NH+]3CCC(O)CC3)c2)c(-c2ccccc2)n1 ZINC000537718131 938362550 /nfs/dbraw/zinc/36/25/50/938362550.db2.gz IHZZDLTYZBSWOZ-UHFFFAOYSA-N 1 0 415.541 4.033 20 30 HIEDRO C=CCCC[C@@H](C)[NH+]1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000538096852 938501218 /nfs/dbraw/zinc/50/12/18/938501218.db2.gz WQDCMMUZGCUYJI-MRXNPFEDSA-N 1 0 400.592 4.138 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000538128435 938513211 /nfs/dbraw/zinc/51/32/11/938513211.db2.gz COTAOJBQCGBXIN-SFHVURJKSA-N 1 0 412.493 4.490 20 30 HIEDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)ccc1OCc1ccccc1 ZINC000538151145 938522806 /nfs/dbraw/zinc/52/28/06/938522806.db2.gz JRUQJXNAHHQZRS-SFHVURJKSA-N 1 0 415.493 4.435 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)c(C#N)c1C ZINC000538161212 938530193 /nfs/dbraw/zinc/53/01/93/938530193.db2.gz KXYVRXUTODEONV-OLZOCXBDSA-N 1 0 409.408 4.387 20 30 HIEDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)cc1OC ZINC000538167187 938532523 /nfs/dbraw/zinc/53/25/23/938532523.db2.gz HVIPPHKMBHARSL-IBGZPJMESA-N 1 0 409.530 4.308 20 30 HIEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000538208745 938556231 /nfs/dbraw/zinc/55/62/31/938556231.db2.gz WOGIVEQAFMECPR-QFIPXVFZSA-N 1 0 419.916 4.467 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1cccc(N2CCCC2)c1 ZINC000538277947 938581913 /nfs/dbraw/zinc/58/19/13/938581913.db2.gz WBTSQWMFHSMZAN-MOPGFXCFSA-N 1 0 408.521 4.412 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000538397219 938610782 /nfs/dbraw/zinc/61/07/82/938610782.db2.gz VGDXVQQHWVGXIP-UHFFFAOYSA-N 1 0 403.448 4.254 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(N3CCCCC3=O)CC2)c1 ZINC000538721957 938691018 /nfs/dbraw/zinc/69/10/18/938691018.db2.gz POOPYLAVMKVBGV-UHFFFAOYSA-N 1 0 403.526 4.114 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CC[C@H](C[N@H+](C)CC)C2)cc1OCC ZINC000538752254 938702664 /nfs/dbraw/zinc/70/26/64/938702664.db2.gz SXXGVDCUAGMSRW-MRXNPFEDSA-N 1 0 411.384 4.186 20 30 HIEDRO COc1cc(N[C@H]2CCC[N@H+](Cc3cccc(OCCCC#N)c3)C2)cc(OC)c1 ZINC000538753049 938702699 /nfs/dbraw/zinc/70/26/99/938702699.db2.gz ILGAEMNHCUKGGP-FQEVSTJZSA-N 1 0 409.530 4.463 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1F ZINC000539243215 938824520 /nfs/dbraw/zinc/82/45/20/938824520.db2.gz WVXTYLQASMVYGL-HUUCEWRRSA-N 1 0 401.507 4.375 20 30 HIEDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)cc1F ZINC000539243213 938824599 /nfs/dbraw/zinc/82/45/99/938824599.db2.gz WVXTYLQASMVYGL-CABCVRRESA-N 1 0 401.507 4.375 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000539328357 938842667 /nfs/dbraw/zinc/84/26/67/938842667.db2.gz VQXJSVUGEYWTPE-CYBMUJFWSA-N 1 0 401.869 4.429 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000539334435 938843608 /nfs/dbraw/zinc/84/36/08/938843608.db2.gz WTWXSBZINNSRGE-XUZZJYLKSA-N 1 0 405.542 4.308 20 30 HIEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H](c1cccc(F)c1)C1CCCC1 ZINC000539334096 938843611 /nfs/dbraw/zinc/84/36/11/938843611.db2.gz MXVVYWRWVVSJBZ-QHCPKHFHSA-N 1 0 417.488 4.343 20 30 HIEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1)c1ccccc1 ZINC000539361353 938848482 /nfs/dbraw/zinc/84/84/82/938848482.db2.gz SDGFSIICHZOICM-XMMPIXPASA-N 1 0 419.569 4.013 20 30 HIEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)(C)c1ccccc1 ZINC000539424772 938858690 /nfs/dbraw/zinc/85/86/90/938858690.db2.gz OMMIRCXNXAFAML-OAQYLSRUSA-N 1 0 401.514 4.028 20 30 HIEDRO N#Cc1ccc(Oc2ccc(C(=O)NC3CC[NH+](CC4CCCC4)CC3)cc2)nc1 ZINC000539797797 938937056 /nfs/dbraw/zinc/93/70/56/938937056.db2.gz KUUMINLBTUIASB-UHFFFAOYSA-N 1 0 404.514 4.130 20 30 HIEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)c(C#N)c1C ZINC000540352424 939204335 /nfs/dbraw/zinc/20/43/35/939204335.db2.gz SNTGNQGFHRHBAH-MRXNPFEDSA-N 1 0 420.538 4.500 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000540353724 939204866 /nfs/dbraw/zinc/20/48/66/939204866.db2.gz FEQGDUIIGHKHOU-LDMCVSKHSA-N 1 0 410.562 4.005 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000540376076 939216170 /nfs/dbraw/zinc/21/61/70/939216170.db2.gz ODPHYJQKRBEZJX-AWEZNQCLSA-N 1 0 412.515 4.476 20 30 HIEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)c1 ZINC000540408855 939237991 /nfs/dbraw/zinc/23/79/91/939237991.db2.gz XQXONZXHCMZWHO-HSZRJFAPSA-N 1 0 405.448 4.026 20 30 HIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(-n2cccn2)cc1 ZINC000540440166 939250924 /nfs/dbraw/zinc/25/09/24/939250924.db2.gz QGIFLBGUPAJNEI-MRXNPFEDSA-N 1 0 419.554 4.364 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(C#N)c(F)c1 ZINC000540707708 939345118 /nfs/dbraw/zinc/34/51/18/939345118.db2.gz MXGFDKRHOTUTLX-SGTLLEGYSA-N 1 0 407.367 4.052 20 30 HIEDRO N#CC1(c2ccc(C(=O)Nc3cccc(NC(=O)C[NH+]4CCCCCC4)c3)cc2)CC1 ZINC000540734716 939352692 /nfs/dbraw/zinc/35/26/92/939352692.db2.gz SWHIQXQGJBQMPW-UHFFFAOYSA-N 1 0 416.525 4.309 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(C#N)cc1 ZINC000540778778 939368920 /nfs/dbraw/zinc/36/89/20/939368920.db2.gz HUORLAWUQKJBPG-MGPUTAFESA-N 1 0 401.432 4.419 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000541024838 939433507 /nfs/dbraw/zinc/43/35/07/939433507.db2.gz SFCSCGOQFKZTOW-ZWKOTPCHSA-N 1 0 408.571 4.496 20 30 HIEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541158971 939480861 /nfs/dbraw/zinc/48/08/61/939480861.db2.gz QCIWCNFXGGXOGR-DVECYGJZSA-N 1 0 420.557 4.038 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccc(Br)s2)CC1 ZINC000541325829 939490935 /nfs/dbraw/zinc/49/09/35/939490935.db2.gz RUBLAZMJGAJRSI-HNNXBMFYSA-N 1 0 412.397 4.398 20 30 HIEDRO Cc1cnc([C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)C2CC2)s1 ZINC000541603493 939566669 /nfs/dbraw/zinc/56/66/69/939566669.db2.gz OYVIXRUKRXMTGR-SFHVURJKSA-N 1 0 400.573 4.333 20 30 HIEDRO COc1ccccc1C[C@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C(C)C ZINC000541634809 939578168 /nfs/dbraw/zinc/57/81/68/939578168.db2.gz WAKOTAAGLLQDOM-BEFAXECRSA-N 1 0 411.571 4.301 20 30 HIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)cc1 ZINC000541957586 939662861 /nfs/dbraw/zinc/66/28/61/939662861.db2.gz GQDUSYWYGYFCER-HXUWFJFHSA-N 1 0 415.541 4.395 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(CC#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000541966318 939664718 /nfs/dbraw/zinc/66/47/18/939664718.db2.gz XEGFRZPDNOMGHQ-QUCCMNQESA-N 1 0 422.495 4.424 20 30 HIEDRO C[C@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542013149 939684646 /nfs/dbraw/zinc/68/46/46/939684646.db2.gz GDEKVXJXYQVBGA-SFHVURJKSA-N 1 0 420.534 4.358 20 30 HIEDRO C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542020012 939688816 /nfs/dbraw/zinc/68/88/16/939688816.db2.gz UKURQDYQIJZWDI-HXOBKFHXSA-N 1 0 417.465 4.224 20 30 HIEDRO Cc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1-n1nnnc1C(C)C ZINC000542482747 939831343 /nfs/dbraw/zinc/83/13/43/939831343.db2.gz HPPQZPJVHGGDQK-UHFFFAOYSA-N 1 0 415.545 4.042 20 30 HIEDRO Cc1cc(NC(=O)c2ccc(Cl)c(C#N)c2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000542529850 939838249 /nfs/dbraw/zinc/83/82/49/939838249.db2.gz VNYPNUMDZSIEJL-FQEVSTJZSA-N 1 0 419.916 4.416 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529812 939838302 /nfs/dbraw/zinc/83/83/02/939838302.db2.gz UEIHPWCDWZZWQL-GUDVDZBRSA-N 1 0 414.619 4.119 20 30 HIEDRO Cc1sc(NC(=O)C[N@@H+](C)[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(C#N)c1C ZINC000542629180 939850320 /nfs/dbraw/zinc/85/03/20/939850320.db2.gz XLUQASXVWOFGIL-IEBWSBKVSA-N 1 0 401.507 4.166 20 30 HIEDRO C[C@H]([NH2+]CC(=O)NCc1cc(F)cc(F)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542947904 939883936 /nfs/dbraw/zinc/88/39/36/939883936.db2.gz MYPDJARCXSOZDK-INIZCTEOSA-N 1 0 405.448 4.470 20 30 HIEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)c1ccccc1 ZINC000542957226 939885992 /nfs/dbraw/zinc/88/59/92/939885992.db2.gz JSDJONXLYZFAGZ-INIZCTEOSA-N 1 0 420.492 4.134 20 30 HIEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000543000098 939893858 /nfs/dbraw/zinc/89/38/58/939893858.db2.gz XREJWJQECJXFJU-UHFFFAOYSA-N 1 0 419.916 4.248 20 30 HIEDRO CC[C@H]([NH2+]CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1nccs1 ZINC000543455141 940068151 /nfs/dbraw/zinc/06/81/51/940068151.db2.gz TVSCCDUJJUPPKC-SFHVURJKSA-N 1 0 411.531 4.144 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(CC#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000543822503 940198656 /nfs/dbraw/zinc/19/86/56/940198656.db2.gz YEZFIRQEJDFUCB-IBGZPJMESA-N 1 0 410.484 4.424 20 30 HIEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000544478632 940449501 /nfs/dbraw/zinc/44/95/01/940449501.db2.gz CYFDGNHWZCCITG-CQSZACIVSA-N 1 0 400.523 4.251 20 30 HIEDRO CC[NH+](CC)CCOc1ccc(-c2noc(-c3ccc(CC#N)cc3)n2)cc1OC ZINC000546987211 940940798 /nfs/dbraw/zinc/94/07/98/940940798.db2.gz SPSFQRKNIIBJKQ-UHFFFAOYSA-N 1 0 406.486 4.199 20 30 HIEDRO C=CCCOCCCCc1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000547188887 941025524 /nfs/dbraw/zinc/02/55/24/941025524.db2.gz HPOFQGXSRLUBOC-UHFFFAOYSA-N 1 0 418.969 4.447 20 30 HIEDRO C=CC[C@H](CO)[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000547373891 941059270 /nfs/dbraw/zinc/05/92/70/941059270.db2.gz NBNWESHBEMASCY-QGZVFWFLSA-N 1 0 406.320 4.063 20 30 HIEDRO CCOC(=O)c1cnc2c(C)cc(C)cc2c1N1CCC(C#N)(c2ccccn2)CC1 ZINC000548821698 941125396 /nfs/dbraw/zinc/12/53/96/941125396.db2.gz WVZKWULQTOZRHN-UHFFFAOYSA-N 1 0 414.509 4.485 20 30 HIEDRO CCN1CC[C@H]([NH2+]CCC(=O)Nc2sccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549116602 941161581 /nfs/dbraw/zinc/16/15/81/941161581.db2.gz GINISGMXXFHPEA-HKUYNNGSSA-N 1 0 420.941 4.166 20 30 HIEDRO CCN1CC[C@@H]([NH2+]CCC(=O)Nc2sccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549116603 941161680 /nfs/dbraw/zinc/16/16/80/941161680.db2.gz GINISGMXXFHPEA-IEBWSBKVSA-N 1 0 420.941 4.166 20 30 HIEDRO C=CCSCCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000549234297 941172835 /nfs/dbraw/zinc/17/28/35/941172835.db2.gz QBJGWVKXSCUAQB-ZNBHLAFESA-N 1 0 408.011 4.472 20 30 HIEDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)c2ccccc21 ZINC000549236103 941172937 /nfs/dbraw/zinc/17/29/37/941172937.db2.gz XFNDIWMISBYODG-QCTQWFPSSA-N 1 0 419.525 4.415 20 30 HIEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000549260563 941174819 /nfs/dbraw/zinc/17/48/19/941174819.db2.gz GGBNAEILMFHZOA-UHFFFAOYSA-N 1 0 404.562 4.315 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000549290813 941177378 /nfs/dbraw/zinc/17/73/78/941177378.db2.gz SLJQBKJBPMMUST-LEWJYISDSA-N 1 0 408.594 4.315 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000549298534 941178090 /nfs/dbraw/zinc/17/80/90/941178090.db2.gz WYYJWBUEWVCHHN-OAQYLSRUSA-N 1 0 411.594 4.218 20 30 HIEDRO C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000549302753 941178489 /nfs/dbraw/zinc/17/84/89/941178489.db2.gz ZXLDGKSRSLEQRZ-UHFFFAOYSA-N 1 0 423.605 4.450 20 30 HIEDRO CC(C)N1CC[C@@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549341559 941181332 /nfs/dbraw/zinc/18/13/32/941181332.db2.gz VJAZLAXXEFWMSX-IFMALSPDSA-N 1 0 414.912 4.103 20 30 HIEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000549684611 941204458 /nfs/dbraw/zinc/20/44/58/941204458.db2.gz ZZDDUJKODDLWSC-GMAHTHKFSA-N 1 0 421.589 4.024 20 30 HIEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000549693050 941204802 /nfs/dbraw/zinc/20/48/02/941204802.db2.gz MCSMDDDZQXBNDA-UHFFFAOYSA-N 1 0 423.605 4.272 20 30 HIEDRO Fc1ccc(C#CC[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)cc1 ZINC000549749239 941206401 /nfs/dbraw/zinc/20/64/01/941206401.db2.gz OSEOMVYXCHUNPS-UHFFFAOYSA-N 1 0 420.297 4.460 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cscc2C#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000551288909 941443880 /nfs/dbraw/zinc/44/38/80/941443880.db2.gz BWWOJHJYCGTZPB-KBXCAEBGSA-N 1 0 407.461 4.451 20 30 HIEDRO N#CC1(NC(=O)C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)CCCCC1 ZINC000551421633 941475878 /nfs/dbraw/zinc/47/58/78/941475878.db2.gz HSWYORFSVGLWOS-FQEVSTJZSA-N 1 0 423.479 4.105 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+][C@H](Cc3ccccc3)C(=O)Nc3ccccc3)CC2)cc1 ZINC000552047792 941573957 /nfs/dbraw/zinc/57/39/57/941573957.db2.gz YZVRFSGEMFTLEO-AREMUKBSSA-N 1 0 424.548 4.367 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+][C@H](CCO)c3ccccc3Br)CC2)cc1 ZINC000552282974 941622023 /nfs/dbraw/zinc/62/20/23/941622023.db2.gz TZNSQNGHBVOHMF-OAQYLSRUSA-N 1 0 414.347 4.003 20 30 HIEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553041754 941823106 /nfs/dbraw/zinc/82/31/06/941823106.db2.gz GTVUMNBJDRRNLV-HXUWFJFHSA-N 1 0 416.997 4.151 20 30 HIEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553208044 941849392 /nfs/dbraw/zinc/84/93/92/941849392.db2.gz MZUIFDIZVZJQAQ-ROUUACIJSA-N 1 0 416.997 4.055 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCSc3cccc(Cl)c3)CC2)cc1 ZINC000553225905 941852830 /nfs/dbraw/zinc/85/28/30/941852830.db2.gz QHSCADLRUGMFFQ-UHFFFAOYSA-N 1 0 413.974 4.428 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)c(F)c1 ZINC000553902545 941995161 /nfs/dbraw/zinc/99/51/61/941995161.db2.gz SVVNANVRTPNOCT-QFIPXVFZSA-N 1 0 420.532 4.082 20 30 HIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN2CCC[C@@H]2c2cccnc2)c1C#N ZINC000554245436 942076579 /nfs/dbraw/zinc/07/65/79/942076579.db2.gz BJWNHUZKXDHKOX-HSZRJFAPSA-N 1 0 413.525 4.196 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CCSC[C@@H]2c2ccccc2)cc1 ZINC000554658479 942189806 /nfs/dbraw/zinc/18/98/06/942189806.db2.gz LLFPEYXJMNZLLC-JOCHJYFZSA-N 1 0 409.555 4.122 20 30 HIEDRO CC[NH+](CC)CCOc1ccccc1-c1noc(C2(c3ccc(C#N)cc3)CC2)n1 ZINC000554797046 942243758 /nfs/dbraw/zinc/24/37/58/942243758.db2.gz OSNHXWASCRCWCM-UHFFFAOYSA-N 1 0 402.498 4.409 20 30 HIEDRO CCOC(=O)C1CCC([N@H+](CC)CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000554855447 942290823 /nfs/dbraw/zinc/29/08/23/942290823.db2.gz BQPJZEICRZRBLZ-UHFFFAOYSA-N 1 0 409.530 4.181 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000555222357 942435870 /nfs/dbraw/zinc/43/58/70/942435870.db2.gz FJLKUHJVKCVFPH-NZQKXSOJSA-N 1 0 423.605 4.300 20 30 HIEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000555256016 942448966 /nfs/dbraw/zinc/44/89/66/942448966.db2.gz SAYMJKSBUJBEEK-RTWAWAEBSA-N 1 0 411.594 4.323 20 30 HIEDRO C=C(C)Cn1c(CCCc2cccs2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000555270818 942457082 /nfs/dbraw/zinc/45/70/82/942457082.db2.gz MTPHNNFUFIFCOL-UHFFFAOYSA-N 1 0 413.635 4.403 20 30 HIEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C1 ZINC000555441315 942542566 /nfs/dbraw/zinc/54/25/66/942542566.db2.gz QPKGBSMRBLPNRL-LJQANCHMSA-N 1 0 420.586 4.095 20 30 HIEDRO CCC[N@H+](CCN1c2cccc3cccc(c23)S1(=O)=O)Cc1ccc(C#N)cc1 ZINC000555481586 942583662 /nfs/dbraw/zinc/58/36/62/942583662.db2.gz LERSSGZEOBBGQC-UHFFFAOYSA-N 1 0 405.523 4.132 20 30 HIEDRO CC[NH+](CC)CCN(C(=O)c1ncc(C#N)cc1C)c1cccc(Br)c1 ZINC000555645735 942685623 /nfs/dbraw/zinc/68/56/23/942685623.db2.gz VQIYLIISSBKSIQ-UHFFFAOYSA-N 1 0 415.335 4.013 20 30 HIEDRO C[N@H+](CCCOc1ccc(Cl)cc1)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000555653402 942689451 /nfs/dbraw/zinc/68/94/51/942689451.db2.gz BXOMJBJEPRWCQO-UHFFFAOYSA-N 1 0 417.962 4.491 20 30 HIEDRO COc1ccc(C[N@@H+]2CCCN(c3ccc(F)c(F)c3)CC2)cc1OCCCC#N ZINC000556618062 942918149 /nfs/dbraw/zinc/91/81/49/942918149.db2.gz VQATZOABWUVYMN-UHFFFAOYSA-N 1 0 415.484 4.368 20 30 HIEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000556893098 942954059 /nfs/dbraw/zinc/95/40/59/942954059.db2.gz PKRJMPBCRAMVCC-FQEVSTJZSA-N 1 0 405.517 4.100 20 30 HIEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000556893100 942954343 /nfs/dbraw/zinc/95/43/43/942954343.db2.gz PKRJMPBCRAMVCC-HXUWFJFHSA-N 1 0 405.517 4.100 20 30 HIEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1Oc1ccccc1 ZINC000557502094 943172294 /nfs/dbraw/zinc/17/22/94/943172294.db2.gz RZTSUTFYVHPWOT-SFHVURJKSA-N 1 0 406.507 4.475 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CC[C@](CO)(Cc3ccc(F)cc3)C2)c(-c2ccccc2)n1 ZINC000558426355 943557067 /nfs/dbraw/zinc/55/70/67/943557067.db2.gz KCCYIGZRILLFSE-VWLOTQADSA-N 1 0 418.516 4.030 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccsc1 ZINC000558511309 943580520 /nfs/dbraw/zinc/58/05/20/943580520.db2.gz NMRXXNCXQPMMJF-HXUWFJFHSA-N 1 0 407.499 4.231 20 30 HIEDRO COc1cc2c(c(OC)c1OC)CC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)CC2 ZINC000558567632 943602251 /nfs/dbraw/zinc/60/22/51/943602251.db2.gz ZQDAVYIVSWTZBS-UHFFFAOYSA-N 1 0 420.431 4.204 20 30 HIEDRO Cc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(-c2ccnn2C)c1 ZINC000558782057 943661318 /nfs/dbraw/zinc/66/13/18/943661318.db2.gz GADHHRFVQJLERC-FQEVSTJZSA-N 1 0 403.505 4.165 20 30 HIEDRO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000558977129 943780935 /nfs/dbraw/zinc/78/09/35/943780935.db2.gz HSODLYSIESFBDT-IBGZPJMESA-N 1 0 413.997 4.411 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000558982764 943785712 /nfs/dbraw/zinc/78/57/12/943785712.db2.gz ZJUFHGRTRGXGCA-IBGZPJMESA-N 1 0 415.969 4.151 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000559000385 943797854 /nfs/dbraw/zinc/79/78/54/943797854.db2.gz DYALQZXOGCIJIR-RBUKOAKNSA-N 1 0 415.557 4.301 20 30 HIEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000559002254 943797888 /nfs/dbraw/zinc/79/78/88/943797888.db2.gz CGRJORJKVUEELA-UHFFFAOYSA-N 1 0 413.541 4.027 20 30 HIEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000559000719 943797898 /nfs/dbraw/zinc/79/78/98/943797898.db2.gz AXWROXMXBUCZEB-SIKLNZKXSA-N 1 0 409.553 4.037 20 30 HIEDRO N#Cc1cccc(C2([NH2+]CC(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)CC2)c1 ZINC000560168752 944185039 /nfs/dbraw/zinc/18/50/39/944185039.db2.gz SQONSAKEUDCXKZ-UHFFFAOYSA-N 1 0 403.482 4.207 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)c1C#N ZINC000560174083 944186273 /nfs/dbraw/zinc/18/62/73/944186273.db2.gz HWFZXJBEOCFLRR-UHFFFAOYSA-N 1 0 401.514 4.181 20 30 HIEDRO CC(C)N1CC[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000560257105 944209291 /nfs/dbraw/zinc/20/92/91/944209291.db2.gz LJBICHLPFYHKGL-IFMALSPDSA-N 1 0 411.912 4.312 20 30 HIEDRO CC(C)[NH+]1CCN(c2cccc(NC3CCN(c4ccc(C#N)cc4)CC3)c2)CC1 ZINC000560549016 944250419 /nfs/dbraw/zinc/25/04/19/944250419.db2.gz VELNEFWYNPYPRH-UHFFFAOYSA-N 1 0 403.574 4.170 20 30 HIEDRO N#Cc1cc(F)cc(C2(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)CC2)c1 ZINC000560579328 944261324 /nfs/dbraw/zinc/26/13/24/944261324.db2.gz GHYNVJDSOMCXBI-ZJSXRUAMSA-N 1 0 417.528 4.242 20 30 HIEDRO CC(C)[NH+](CCCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C(C)C ZINC000561175950 944499036 /nfs/dbraw/zinc/49/90/36/944499036.db2.gz QQROCEHRFVRFMW-UHFFFAOYSA-N 1 0 419.013 4.443 20 30 HIEDRO CC1(C)CCC[N@H+](CCNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000561305515 944544868 /nfs/dbraw/zinc/54/48/68/944544868.db2.gz VDWQXZRDYFNFEE-UHFFFAOYSA-N 1 0 416.997 4.056 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c(C)c1OC ZINC000561933875 944863523 /nfs/dbraw/zinc/86/35/23/944863523.db2.gz ATDZIRUNULLVIF-LJQANCHMSA-N 1 0 409.530 4.227 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000562046592 944909859 /nfs/dbraw/zinc/90/98/59/944909859.db2.gz JAXILJLLMLGKKJ-SAWYMBPVSA-N 1 0 422.598 4.251 20 30 HIEDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000562200112 945017295 /nfs/dbraw/zinc/01/72/95/945017295.db2.gz COZPTXPNAXJOFK-IEBWSBKVSA-N 1 0 407.823 4.292 20 30 HIEDRO COc1cc(C[NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)ccc1C#N ZINC000564379186 945543843 /nfs/dbraw/zinc/54/38/43/945543843.db2.gz LXLDWUQWXPGTKQ-UHFFFAOYSA-N 1 0 402.376 4.011 20 30 HIEDRO CC[C@@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1OCC(=O)N1CCCC1 ZINC000564382420 945545343 /nfs/dbraw/zinc/54/53/43/945545343.db2.gz SRDTZBKAGDCZEP-PKTZIBPZSA-N 1 0 403.526 4.288 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)Cc1ccccc1 ZINC000564440916 945590085 /nfs/dbraw/zinc/59/00/85/945590085.db2.gz HWJZOJGCVZKKKO-NRFANRHFSA-N 1 0 415.497 4.040 20 30 HIEDRO CC(C)(C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)c1cc(F)cc(C#N)c1 ZINC000564603267 945700598 /nfs/dbraw/zinc/70/05/98/945700598.db2.gz HLDWZHDBZHHLNX-HXUWFJFHSA-N 1 0 407.533 4.393 20 30 HIEDRO COc1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)cc(OC)c1OCC(F)F ZINC000564757694 945750512 /nfs/dbraw/zinc/75/05/12/945750512.db2.gz WZITWWIGJZOCMD-UHFFFAOYSA-N 1 0 402.441 4.384 20 30 HIEDRO C=CCn1c(CCc2ccco2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000565332450 945813745 /nfs/dbraw/zinc/81/37/45/945813745.db2.gz QSEZDRWBCPIKOR-IRLDBZIGSA-N 1 0 419.573 4.332 20 30 HIEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000567202562 946270629 /nfs/dbraw/zinc/27/06/29/946270629.db2.gz VHJBASFOSQGVCE-FQEVSTJZSA-N 1 0 410.489 4.315 20 30 HIEDRO N#Cc1ccc(CN2CCCN(C(=O)c3nc4ccccc4cc3Cl)CC2)cc1 ZINC000568332425 946512889 /nfs/dbraw/zinc/51/28/89/946512889.db2.gz WRYLPDMJCXOOFG-UHFFFAOYSA-N 1 0 404.901 4.108 20 30 HIEDRO Cc1ccc([C@@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[NH+](C)C)cc1 ZINC000568699893 946667678 /nfs/dbraw/zinc/66/76/78/946667678.db2.gz MNAQJFVGWZPHAO-HSZRJFAPSA-N 1 0 415.497 4.478 20 30 HIEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000569941843 947046883 /nfs/dbraw/zinc/04/68/83/947046883.db2.gz FNVNPPDAFUDPQJ-UHFFFAOYSA-N 1 0 406.578 4.175 20 30 HIEDRO C[C@H]1C[C@H](CCNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C[N@@H+]1Cc1ccccc1 ZINC000570220994 947148875 /nfs/dbraw/zinc/14/88/75/947148875.db2.gz YQMIAQNWCICLBG-ICSRJNTNSA-N 1 0 407.533 4.392 20 30 HIEDRO C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000570228186 947150125 /nfs/dbraw/zinc/15/01/25/947150125.db2.gz KYOQNVPTSWBVDE-JOCHJYFZSA-N 1 0 409.578 4.087 20 30 HIEDRO N#CC(CC[NH+]1CCN(c2cncc(F)c2)CC1)(c1ccccc1)c1ccccc1 ZINC000570300191 947184534 /nfs/dbraw/zinc/18/45/34/947184534.db2.gz YCGRJLXQLLVYHU-UHFFFAOYSA-N 1 0 400.501 4.243 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(C)c1OC ZINC000571033039 947446600 /nfs/dbraw/zinc/44/66/00/947446600.db2.gz DXQHHJOPCWYSOG-ZIAGYGMSSA-N 1 0 413.543 4.112 20 30 HIEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(C)c1OC ZINC000571033036 947448516 /nfs/dbraw/zinc/44/85/16/947448516.db2.gz DXQHHJOPCWYSOG-KBPBESRZSA-N 1 0 413.543 4.112 20 30 HIEDRO FC(F)C(F)(F)COCC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000571865791 947805893 /nfs/dbraw/zinc/80/58/93/947805893.db2.gz RCURQJMTAZCDJJ-UHFFFAOYSA-N 1 0 403.338 4.218 20 30 HIEDRO C=CCn1c(Cc2ccsc2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000572169538 947855196 /nfs/dbraw/zinc/85/51/96/947855196.db2.gz XVHMCXSFJBBKLG-LJQANCHMSA-N 1 0 407.587 4.217 20 30 HIEDRO C=CCn1c(Cc2ccccn2)nnc1N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000573047551 948069212 /nfs/dbraw/zinc/06/92/12/948069212.db2.gz QBYSFYGEVMEWDR-OFNKIYASSA-N 1 0 416.573 4.112 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1COc2ccccc21 ZINC000573224159 948110305 /nfs/dbraw/zinc/11/03/05/948110305.db2.gz UQBFJZNHWQBOSO-ZRGWGRIASA-N 1 0 409.555 4.370 20 30 HIEDRO C=CCn1c(CSc2ccccc2OC)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000573289827 948146335 /nfs/dbraw/zinc/14/63/35/948146335.db2.gz KTONNQPVGWPCDP-UHFFFAOYSA-N 1 0 415.607 4.076 20 30 HIEDRO C[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)C1CCN(CC(F)(F)F)CC1 ZINC000573381434 948174927 /nfs/dbraw/zinc/17/49/27/948174927.db2.gz FOJQINWHJPQCHM-CQSZACIVSA-N 1 0 408.386 4.189 20 30 HIEDRO C=CCOc1ccc(C(=O)NC[C@@H](c2ccc(SC)cc2)[NH+](C)C)cc1OC ZINC000573689551 948272392 /nfs/dbraw/zinc/27/23/92/948272392.db2.gz MPACQPPZJPUWQZ-IBGZPJMESA-N 1 0 400.544 4.015 20 30 HIEDRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000573749673 948288289 /nfs/dbraw/zinc/28/82/89/948288289.db2.gz UBVUBNKXPKCWGZ-FQEVSTJZSA-N 1 0 410.949 4.058 20 30 HIEDRO CC(C)N1CC[C@@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574221827 948390032 /nfs/dbraw/zinc/39/00/32/948390032.db2.gz PPQMIIOLDVRZAX-IFMALSPDSA-N 1 0 414.912 4.103 20 30 HIEDRO CC1CC[NH+]([C@@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)c2cccs2)CC1 ZINC000574594558 948486559 /nfs/dbraw/zinc/48/65/59/948486559.db2.gz RWOJYOAQSKJMEG-FQEVSTJZSA-N 1 0 408.571 4.381 20 30 HIEDRO N#Cc1ccsc1NC(=O)CC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000574995292 948570309 /nfs/dbraw/zinc/57/03/09/948570309.db2.gz JMBILPUZCFGSDY-UHFFFAOYSA-N 1 0 423.460 4.263 20 30 HIEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000575089834 948589153 /nfs/dbraw/zinc/58/91/53/948589153.db2.gz OVWULYFDBUTDDQ-WMZOPIPTSA-N 1 0 422.454 4.482 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1OC ZINC000575164213 948614678 /nfs/dbraw/zinc/61/46/78/948614678.db2.gz ZRBDIVGHEPTLCU-CRAIPNDOSA-N 1 0 409.368 4.081 20 30 HIEDRO COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](c2nn(-c3ccccc3)cc2C(N)=O)C1 ZINC000328603288 569416952 /nfs/dbraw/zinc/41/69/52/569416952.db2.gz FJTWXRXESFEFHI-IBGZPJMESA-N 1 0 415.497 4.016 20 30 HIEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164627902 719062476 /nfs/dbraw/zinc/06/24/76/719062476.db2.gz RLKGZHATKIQSCT-DYESRHJHSA-N 1 0 403.917 4.256 20 30 HIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(C#N)c(Cl)cc3Cl)C[C@@H]21 ZINC001165020611 721829214 /nfs/dbraw/zinc/82/92/14/721829214.db2.gz CTQHISDORWMBTO-PTSWNOGYSA-N 1 0 416.356 4.392 20 30 HIEDRO N#Cc1cnc(N2CC[NH+](C[C@H]3CCCO3)CC2)c2cc(-c3ccccc3)sc21 ZINC001165036930 721911031 /nfs/dbraw/zinc/91/10/31/721911031.db2.gz DTVMAHIYRQUBSW-LJQANCHMSA-N 1 0 404.539 4.136 20 30 HIEDRO N#Cc1cc(C(F)(F)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cnc1Cl ZINC001164951321 722017413 /nfs/dbraw/zinc/01/74/13/722017413.db2.gz AHGFERHCXAICIF-UHFFFAOYSA-N 1 0 417.891 4.039 20 30 HIEDRO CC(C)(c1ccnc(Cl)c1)[N@@H+]1CCC[C@@]2(C1)COCCN(c1cccc(C#N)c1)C2 ZINC001165004250 722259188 /nfs/dbraw/zinc/25/91/88/722259188.db2.gz PPADCAPHMRAVNS-XMMPIXPASA-N 1 0 424.976 4.461 20 30 HIEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000436155801 861455595 /nfs/dbraw/zinc/45/55/95/861455595.db2.gz STJSNKUWBVTSJY-GMAHTHKFSA-N 1 0 417.557 4.132 20 30 HIEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2c2nc(-c3ccccc3)no2)c1 ZINC000436255040 861566710 /nfs/dbraw/zinc/56/67/10/861566710.db2.gz TYFYQHACTIWATB-HXUWFJFHSA-N 1 0 401.470 4.164 20 30 HIEDRO CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000436343470 861655706 /nfs/dbraw/zinc/65/57/06/861655706.db2.gz JQSYGQMMFRBTTK-ZEQRLZLVSA-N 1 0 405.542 4.319 20 30 HIEDRO CCNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022686442 846602908 /nfs/dbraw/zinc/60/29/08/846602908.db2.gz SVGPKWGFEGOEJZ-UHFFFAOYSA-O 1 0 411.497 4.391 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2cc(C)ccc2C)[n+]2cccc(CO)c2)c(C)n1C ZINC000022729700 846610475 /nfs/dbraw/zinc/61/04/75/846610475.db2.gz SYIYNFKOQXNOIS-UHFFFAOYSA-O 1 0 422.574 4.089 20 30 HIEDRO Cc1ccc(C)c(C(=O)C(C(=S)NCc2ccccc2)[n+]2ccc(N(C)C)cc2)c1 ZINC000022730746 846610622 /nfs/dbraw/zinc/61/06/22/846610622.db2.gz FLBYCGZEVOZLFS-UHFFFAOYSA-O 1 0 418.586 4.386 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1ccc(OC)cc1)C(=S)NCc1ccccc1 ZINC000022730859 846610675 /nfs/dbraw/zinc/61/06/75/846610675.db2.gz MPEWLGKWJCPWTB-UHFFFAOYSA-O 1 0 405.543 4.274 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1cc(C)n(C)c1C)C(=S)NCCc1ccccc1 ZINC000022735601 846612806 /nfs/dbraw/zinc/61/28/06/846612806.db2.gz PXOIKFXCWMGTIP-UHFFFAOYSA-O 1 0 420.602 4.263 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2ccccc2)C(=S)NCCc2ccc(OC)cc2)cc1 ZINC000022801123 846622967 /nfs/dbraw/zinc/62/29/67/846622967.db2.gz YJIHYDCDCLXMPB-UHFFFAOYSA-O 1 0 419.570 4.316 20 30 HIEDRO N#Cc1ccc(OCCN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000024246035 846806641 /nfs/dbraw/zinc/80/66/41/846806641.db2.gz KIYVYPJOBJBERW-UHFFFAOYSA-N 1 0 403.448 4.164 20 30 HIEDRO O[C@@]1(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CCC[C@@H](C(F)(F)F)C1 ZINC000436413641 861765465 /nfs/dbraw/zinc/76/54/65/861765465.db2.gz RITVLTHMPXNNRP-DOMZBBRYSA-N 1 0 403.338 4.340 20 30 HIEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000030537522 847731621 /nfs/dbraw/zinc/73/16/21/847731621.db2.gz IJYXAYMJZMIDIN-MAUKXSAKSA-N 1 0 420.347 4.277 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(Br)c3)CC2)cc1 ZINC000043134475 848389024 /nfs/dbraw/zinc/38/90/24/848389024.db2.gz CLBPQAMCYNDIAB-UHFFFAOYSA-N 1 0 413.319 4.061 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(Cl)cc1)C1CC1 ZINC000043717927 848452414 /nfs/dbraw/zinc/45/24/14/848452414.db2.gz UGZWLYDVDXORCW-QFIPXVFZSA-N 1 0 410.949 4.436 20 30 HIEDRO Cc1nc(Cc2ccccc2)sc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000044566337 848571473 /nfs/dbraw/zinc/57/14/73/848571473.db2.gz VFNPMTVTKQACGE-UHFFFAOYSA-N 1 0 418.566 4.118 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)NC3CC[NH+](C4CC4)CC3)c2)cc1 ZINC000045410195 848677154 /nfs/dbraw/zinc/67/71/54/848677154.db2.gz JAEOKPUWEJCAHR-UHFFFAOYSA-N 1 0 404.514 4.080 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(OCc3ccccc3)CC1)CCC2 ZINC000054429409 849866387 /nfs/dbraw/zinc/86/63/87/849866387.db2.gz UMDYOFZYQXJDHJ-UHFFFAOYSA-N 1 0 409.555 4.118 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000055375754 850009511 /nfs/dbraw/zinc/00/95/11/850009511.db2.gz PASHXPLGAHCYLB-ZIAGYGMSSA-N 1 0 411.527 4.295 20 30 HIEDRO CC[C@@H](C)Oc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000056759052 850469515 /nfs/dbraw/zinc/46/95/15/850469515.db2.gz NIBLKRVRDUVFKR-LJQANCHMSA-N 1 0 406.530 4.475 20 30 HIEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000058430244 850823247 /nfs/dbraw/zinc/82/32/47/850823247.db2.gz NLCJWGCTLRRJPQ-UHFFFAOYSA-N 1 0 420.557 4.267 20 30 HIEDRO CC(C)Cc1ccc(C(=O)C2CC[NH+](C[C@@H](O)COc3ccc(C#N)cc3)CC2)cc1 ZINC000058934375 850961664 /nfs/dbraw/zinc/96/16/64/850961664.db2.gz JMIOFGJNJVHPRY-XMMPIXPASA-N 1 0 420.553 4.091 20 30 HIEDRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000058967357 850970580 /nfs/dbraw/zinc/97/05/80/850970580.db2.gz IFWQMCNCSUXDHL-UHFFFAOYSA-N 1 0 422.529 4.333 20 30 HIEDRO CC[N@H+](C[C@@H](O)COc1ccc(Br)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000060477380 851112434 /nfs/dbraw/zinc/11/24/34/851112434.db2.gz PMVHCOIVULKBBA-DNVCBOLYSA-N 1 0 403.320 4.144 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2cccc(OC)c2)cc1OC ZINC000060998847 851269730 /nfs/dbraw/zinc/26/97/30/851269730.db2.gz UQRAHHXDQUDJEW-UHFFFAOYSA-N 1 0 406.320 4.363 20 30 HIEDRO CC(C)[NH+](CCn1c(SC[C@@H](C#N)CCC#N)nc2ccccc2c1=O)C(C)C ZINC000061729173 851429811 /nfs/dbraw/zinc/42/98/11/851429811.db2.gz OGLJAPDLGJSSIB-GOSISDBHSA-N 1 0 411.575 4.051 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000063400422 851678439 /nfs/dbraw/zinc/67/84/39/851678439.db2.gz OIDUPVITHLXOAL-QFIPXVFZSA-N 1 0 410.518 4.158 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000063402355 851679389 /nfs/dbraw/zinc/67/93/89/851679389.db2.gz CSWAOTWYNMNIDE-UHFFFAOYSA-N 1 0 422.529 4.129 20 30 HIEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000063679509 851740379 /nfs/dbraw/zinc/74/03/79/851740379.db2.gz XYFIHQSRLGZGPH-UHFFFAOYSA-N 1 0 421.589 4.039 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1 ZINC000064027820 851817707 /nfs/dbraw/zinc/81/77/07/851817707.db2.gz SXJKPKPOEJHGIQ-UHFFFAOYSA-N 1 0 403.526 4.349 20 30 HIEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000437106515 862293792 /nfs/dbraw/zinc/29/37/92/862293792.db2.gz MNDZYJODJKPSMA-LSJNQWAISA-N 1 0 422.920 4.228 20 30 HIEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ncc(Br)s1 ZINC000437108486 862295631 /nfs/dbraw/zinc/29/56/31/862295631.db2.gz NSOXQFNLZHSPNH-LMWSTFAQSA-N 1 0 407.337 4.213 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(CC#N)cc1 ZINC000064520847 851918436 /nfs/dbraw/zinc/91/84/36/851918436.db2.gz NXEXKXFNZJNJLL-UHFFFAOYSA-N 1 0 404.436 4.367 20 30 HIEDRO COc1ccc(C[NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)cc1OCCCC#N ZINC000064614601 851941943 /nfs/dbraw/zinc/94/19/43/851941943.db2.gz KEGPPPOUBVQVTI-UHFFFAOYSA-N 1 0 410.514 4.216 20 30 HIEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+](C)C(C2CC2)C2CC2)c1C#N ZINC000065243366 852092707 /nfs/dbraw/zinc/09/27/07/852092707.db2.gz PMUUXJQLPYDUPX-UHFFFAOYSA-N 1 0 408.521 4.223 20 30 HIEDRO COc1ccccc1[C@@H](CNC(=O)Nc1cc(C#N)ccc1OC(C)C)[NH+]1CCCC1 ZINC000065473406 852149063 /nfs/dbraw/zinc/14/90/63/852149063.db2.gz YJFUHAUHDWTDBI-OAQYLSRUSA-N 1 0 422.529 4.313 20 30 HIEDRO Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000065930405 852320157 /nfs/dbraw/zinc/32/01/57/852320157.db2.gz JYECPDMGBRZDAB-FQEVSTJZSA-N 1 0 407.558 4.348 20 30 HIEDRO Cc1nc(Cc2ccccc2)sc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930554 852320287 /nfs/dbraw/zinc/32/02/87/852320287.db2.gz BQPUJUTZMAMQCL-UHFFFAOYSA-N 1 0 418.566 4.118 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC(=O)N3CCCc4ccccc43)c2)c1 ZINC000065976742 852337287 /nfs/dbraw/zinc/33/72/87/852337287.db2.gz PAGKVHXZCGCERE-UHFFFAOYSA-N 1 0 411.505 4.206 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3cccc(C(=O)NC4CC4)c3)c2)c1 ZINC000065980469 852338474 /nfs/dbraw/zinc/33/84/74/852338474.db2.gz UPNHNWHJUZUDHP-UHFFFAOYSA-N 1 0 411.505 4.319 20 30 HIEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000071960397 852447027 /nfs/dbraw/zinc/44/70/27/852447027.db2.gz GLQFXZQCXFXITO-HSALFYBXSA-N 1 0 405.542 4.120 20 30 HIEDRO C#CCOc1cccc(NC(=O)[C@@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000078667614 852525060 /nfs/dbraw/zinc/52/50/60/852525060.db2.gz BRCXZOUTHFWXFP-OAQYLSRUSA-N 1 0 402.416 4.092 20 30 HIEDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000097592671 852640560 /nfs/dbraw/zinc/64/05/60/852640560.db2.gz UVHREABFPXFLBK-KRWDZBQOSA-N 1 0 417.475 4.346 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1Cl ZINC000105422285 852704219 /nfs/dbraw/zinc/70/42/19/852704219.db2.gz QPODUWGBBWGMBI-KRWDZBQOSA-N 1 0 403.935 4.283 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN(Cc2ccccc2)C[C@H]2CCCO2)c1 ZINC000108813104 852881431 /nfs/dbraw/zinc/88/14/31/852881431.db2.gz DAVLNIKJULZRMA-XMMPIXPASA-N 1 0 405.542 4.231 20 30 HIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000109485748 852976253 /nfs/dbraw/zinc/97/62/53/852976253.db2.gz ZZTVEQIHQMTONK-QHCPKHFHSA-N 1 0 423.582 4.192 20 30 HIEDRO N#Cc1c(C[N@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cn2ccccc12 ZINC000110988073 853180686 /nfs/dbraw/zinc/18/06/86/853180686.db2.gz CFZQLLLWRKGIHU-KRWDZBQOSA-N 1 0 401.445 4.380 20 30 HIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000138586143 853392139 /nfs/dbraw/zinc/39/21/39/853392139.db2.gz RXOJIEINDOQBSE-QFIPXVFZSA-N 1 0 409.555 4.149 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1C ZINC000139944332 853427904 /nfs/dbraw/zinc/42/79/04/853427904.db2.gz DEPYDVFWNNGBJW-UHFFFAOYSA-N 1 0 407.562 4.075 20 30 HIEDRO COc1ccc2[nH]cc(C3CC[NH+]([C@H](C)C(=O)NC4(C#N)CCCCC4)CC3)c2c1 ZINC000142131154 853488244 /nfs/dbraw/zinc/48/82/44/853488244.db2.gz VXSWNRZBTIZPRG-QGZVFWFLSA-N 1 0 408.546 4.087 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000150308315 853643579 /nfs/dbraw/zinc/64/35/79/853643579.db2.gz MAURYSKISCDAOC-VQTJNVASSA-N 1 0 407.562 4.073 20 30 HIEDRO CCc1c(C(=O)C(C(=S)N[C@@H](C)CC)[n+]2ccc(C)cc2)[nH]c(C)c1C(C)=O ZINC000154470283 853643680 /nfs/dbraw/zinc/64/36/80/853643680.db2.gz YDEWIFUDZYMADP-AWEZNQCLSA-O 1 0 400.568 4.011 20 30 HIEDRO CCC(C)(C)NC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc(C)cc1 ZINC000186976968 853669265 /nfs/dbraw/zinc/66/92/65/853669265.db2.gz QCIKSPHJHIDGOE-UHFFFAOYSA-O 1 0 400.568 4.147 20 30 HIEDRO CC[C@H](NC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccccc1)c1cccs1 ZINC000186968063 853669304 /nfs/dbraw/zinc/66/93/04/853669304.db2.gz ZBOYDHHWYFAAES-HNNXBMFYSA-O 1 0 400.549 4.320 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OCC(F)(F)F)c1 ZINC000195713677 853774444 /nfs/dbraw/zinc/77/44/44/853774444.db2.gz DGSWOWWMWDPWSD-UHFFFAOYSA-N 1 0 420.435 4.095 20 30 HIEDRO CCOc1cc(C[NH2+]Cc2cccc(C#N)c2)ccc1OCC(=O)Nc1ccccc1 ZINC000236971606 853944454 /nfs/dbraw/zinc/94/44/54/853944454.db2.gz WNVMTYNRSUBLQR-UHFFFAOYSA-N 1 0 415.493 4.264 20 30 HIEDRO COc1ccccc1N1CC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000237121120 853967708 /nfs/dbraw/zinc/96/77/08/853967708.db2.gz WSTCZLNQBUPSRX-HXUWFJFHSA-N 1 0 415.541 4.088 20 30 HIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000237200815 853981296 /nfs/dbraw/zinc/98/12/96/853981296.db2.gz CAGAZLWULJAMKC-CTNGQTDRSA-N 1 0 400.567 4.210 20 30 HIEDRO COc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c(OC)c1OC ZINC000237265001 853993496 /nfs/dbraw/zinc/99/34/96/853993496.db2.gz XHILOMUJGLNXBB-UHFFFAOYSA-N 1 0 418.493 4.453 20 30 HIEDRO C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000237332914 854008599 /nfs/dbraw/zinc/00/85/99/854008599.db2.gz OMDQTHCPBYPMQD-GOSISDBHSA-N 1 0 411.521 4.320 20 30 HIEDRO COc1ccc(C[NH2+]Cc2cc(N(C)C)nc3ccccc23)cc1OCCCC#N ZINC000237432989 854032268 /nfs/dbraw/zinc/03/22/68/854032268.db2.gz UREVSFAXXLEPGG-UHFFFAOYSA-N 1 0 404.514 4.282 20 30 HIEDRO COc1ccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cc1OCCCC#N ZINC000237457371 854037157 /nfs/dbraw/zinc/03/71/57/854037157.db2.gz SJMUOLDMWGHQLQ-UHFFFAOYSA-N 1 0 402.878 4.092 20 30 HIEDRO C[C@H](NC1(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)CCOCC1)c1ccccc1 ZINC000237527678 854050430 /nfs/dbraw/zinc/05/04/30/854050430.db2.gz QAKAZFIUAZUGDG-NRFANRHFSA-N 1 0 406.574 4.026 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccc(OCC(F)(F)F)nc2)c(-c2ccccc2)n1 ZINC000237682380 854074771 /nfs/dbraw/zinc/07/47/71/854074771.db2.gz MGLCMQIMQFXFNE-UHFFFAOYSA-N 1 0 415.419 4.090 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(Br)cc3Cl)CC2)nc1 ZINC000237804213 854099797 /nfs/dbraw/zinc/09/97/97/854099797.db2.gz WFPRAWWJMUVQSC-UHFFFAOYSA-N 1 0 405.727 4.128 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000261427594 854258768 /nfs/dbraw/zinc/25/87/68/854258768.db2.gz HGFNETBZDLNPDH-UHFFFAOYSA-N 1 0 400.519 4.338 20 30 HIEDRO C[C@@H]1C[C@@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000301529502 854413419 /nfs/dbraw/zinc/41/34/19/854413419.db2.gz JGMQDPPZPVHLRT-APWZRJJASA-N 1 0 401.470 4.480 20 30 HIEDRO COc1cccc([C@H](CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[NH+]2CCCC2)c1 ZINC000302566865 854586407 /nfs/dbraw/zinc/58/64/07/854586407.db2.gz OZRPEAMDRXOMHN-QFIPXVFZSA-N 1 0 417.469 4.272 20 30 HIEDRO COc1cccc([C@@H](CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[NH+]2CCCC2)c1 ZINC000302566864 854586571 /nfs/dbraw/zinc/58/65/71/854586571.db2.gz OZRPEAMDRXOMHN-JOCHJYFZSA-N 1 0 417.469 4.272 20 30 HIEDRO N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNc1cc[nH+]c2cc(F)ccc12 ZINC000302755543 854622436 /nfs/dbraw/zinc/62/24/36/854622436.db2.gz VTDLPFIHSXTWKS-UHFFFAOYSA-N 1 0 404.424 4.197 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2cc(C)c(OCC(F)(F)F)c(C)c2)CC1 ZINC000303283073 854851227 /nfs/dbraw/zinc/85/12/27/854851227.db2.gz JDZSIIYBFPJXDP-UHFFFAOYSA-N 1 0 413.484 4.036 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000303362608 854892821 /nfs/dbraw/zinc/89/28/21/854892821.db2.gz HQGXFNHNOXXVGX-HXUWFJFHSA-N 1 0 422.598 4.227 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000303460578 854961043 /nfs/dbraw/zinc/96/10/43/854961043.db2.gz LJYZWTYNZJDJHP-KRWDZBQOSA-N 1 0 408.571 4.407 20 30 HIEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303619481 855081928 /nfs/dbraw/zinc/08/19/28/855081928.db2.gz PJIPKCUQGOTKEZ-KZNAEPCWSA-N 1 0 402.970 4.125 20 30 HIEDRO C[C@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000303665069 855117081 /nfs/dbraw/zinc/11/70/81/855117081.db2.gz FAYLSIHNFKATIK-RHSMWYFYSA-N 1 0 413.319 4.127 20 30 HIEDRO CCN(CC)[C@@H](CNC(=[NH2+])Nc1ccc(OC)c(Cl)c1)c1cccc(OC)c1 ZINC000303779279 855193649 /nfs/dbraw/zinc/19/36/49/855193649.db2.gz KIFDTEWTCPIBTE-IBGZPJMESA-N 1 0 404.942 4.167 20 30 HIEDRO COc1cc(C#N)ccc1OCC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000303783385 855196055 /nfs/dbraw/zinc/19/60/55/855196055.db2.gz DFMWDJUFVOGMDJ-UHFFFAOYSA-N 1 0 409.313 4.137 20 30 HIEDRO C[C@H](NC(=[NH2+])NCCNC(=O)c1ccccc1Cl)c1ccc(Cl)cc1Cl ZINC000303785110 855197112 /nfs/dbraw/zinc/19/71/12/855197112.db2.gz PZDDHRZWXAISHR-NSHDSACASA-N 1 0 413.736 4.042 20 30 HIEDRO [NH2+]=C(NCC1(c2ccc(F)cc2)CCOCC1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303879675 855266163 /nfs/dbraw/zinc/26/61/63/855266163.db2.gz JTUGIAMQHMNZLE-UHFFFAOYSA-N 1 0 411.399 4.199 20 30 HIEDRO [NH2+]=C(NCc1ccc(COc2ccccc2)cc1)Nc1ccc2c(c1)OCCCO2 ZINC000303881986 855267721 /nfs/dbraw/zinc/26/77/21/855267721.db2.gz HYOJUNLIYUPOKQ-UHFFFAOYSA-N 1 0 403.482 4.354 20 30 HIEDRO [NH2+]=C(NCc1ccnc(OCc2ccccc2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303896767 855275527 /nfs/dbraw/zinc/27/55/27/855275527.db2.gz QENGLNOIPHBZJE-UHFFFAOYSA-N 1 0 416.403 4.486 20 30 HIEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000303896755 855275543 /nfs/dbraw/zinc/27/55/43/855275543.db2.gz QEHYQPQQZBDVFK-IBGZPJMESA-N 1 0 404.480 4.246 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000303929017 855298463 /nfs/dbraw/zinc/29/84/63/855298463.db2.gz WVPCKZCKGPWBEC-HSZRJFAPSA-N 1 0 418.585 4.147 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2cc(Br)ccc2OC)c1 ZINC000303989003 855337683 /nfs/dbraw/zinc/33/76/83/855337683.db2.gz XFKPCFOCMUGJGC-UHFFFAOYSA-N 1 0 422.323 4.182 20 30 HIEDRO COc1cc(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)cc(OC)c1OC ZINC000304511011 855356694 /nfs/dbraw/zinc/35/66/94/855356694.db2.gz WUSSKNWCCSQUNG-UHFFFAOYSA-N 1 0 407.470 4.432 20 30 HIEDRO COc1ccc(NC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1Cl ZINC000304741525 855357796 /nfs/dbraw/zinc/35/77/96/855357796.db2.gz CFPNZAZHTXCURP-KRWDZBQOSA-N 1 0 418.925 4.341 20 30 HIEDRO COc1ccccc1Oc1ccc(CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)cc1 ZINC000304755400 855357939 /nfs/dbraw/zinc/35/79/39/855357939.db2.gz MSCBZEQTVIXTEZ-UHFFFAOYSA-N 1 0 421.497 4.109 20 30 HIEDRO [NH2+]=C(NCC#Cc1ccc(C(F)(F)F)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000304789870 855359039 /nfs/dbraw/zinc/35/90/39/855359039.db2.gz JXCRHMLBCJYFIA-UHFFFAOYSA-N 1 0 401.310 4.382 20 30 HIEDRO COc1ccc([C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)N2CCCC2)cc1 ZINC000305239833 855361028 /nfs/dbraw/zinc/36/10/28/855361028.db2.gz QKGGZYYUDPKVCO-SFHVURJKSA-N 1 0 422.451 4.158 20 30 HIEDRO COC(=O)c1ccc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)nc1C1CC1 ZINC000305886436 855361860 /nfs/dbraw/zinc/36/18/60/855361860.db2.gz YHOJVYXQMINLGI-NSHDSACASA-N 1 0 421.328 4.218 20 30 HIEDRO Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)C ZINC000328602762 855422924 /nfs/dbraw/zinc/42/29/24/855422924.db2.gz CVZBGIAVTZVMIA-URXFXBBRSA-N 1 0 418.541 4.477 20 30 HIEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426849750 856511963 /nfs/dbraw/zinc/51/19/63/856511963.db2.gz VZQWZPXDRWDOAB-QFIPXVFZSA-N 1 0 405.889 4.052 20 30 HIEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426857228 856515022 /nfs/dbraw/zinc/51/50/22/856515022.db2.gz GPSOYUUAXFOSPW-QFIPXVFZSA-N 1 0 405.889 4.052 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)NC(Cc2ccccc2F)Cc2ccccc2F)CC1 ZINC000437433681 862806499 /nfs/dbraw/zinc/80/64/99/862806499.db2.gz RYRWADXEFMAEFQ-UHFFFAOYSA-N 1 0 413.512 4.068 20 30 HIEDRO C=CCC[C@H](C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000427231314 856725905 /nfs/dbraw/zinc/72/59/05/856725905.db2.gz KIELGCUDTODWTE-DEOSSOPVSA-N 1 0 407.558 4.001 20 30 HIEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NC(=O)C2(C#N)CCCCC2)cc1Cl ZINC000428406470 857193720 /nfs/dbraw/zinc/19/37/20/857193720.db2.gz GFLLZFZBGHFZCH-UHFFFAOYSA-N 1 0 418.969 4.214 20 30 HIEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000437587752 862900274 /nfs/dbraw/zinc/90/02/74/862900274.db2.gz HJQPTDOPXFMACT-UHFFFAOYSA-N 1 0 413.909 4.006 20 30 HIEDRO C=C(C)COc1cccc(NC(=O)N2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000429058138 857483093 /nfs/dbraw/zinc/48/30/93/857483093.db2.gz CXSOYOHPVUOUPL-PMACEKPBSA-N 1 0 415.578 4.385 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)ccc1Cl ZINC000429157379 857534869 /nfs/dbraw/zinc/53/48/69/857534869.db2.gz VCPPPTXNVABTRA-BTYIYWSLSA-N 1 0 417.962 4.249 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000429559445 857749536 /nfs/dbraw/zinc/74/95/36/857749536.db2.gz OUHHBFLHKABGJU-IBGZPJMESA-N 1 0 408.527 4.168 20 30 HIEDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000429747211 857868000 /nfs/dbraw/zinc/86/80/00/857868000.db2.gz JUIYCTQEVAUQPE-HXUWFJFHSA-N 1 0 410.493 4.224 20 30 HIEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(SCC#N)c2)CC1 ZINC000429929571 857953367 /nfs/dbraw/zinc/95/33/67/857953367.db2.gz VWJIIJZPQNIZQW-UHFFFAOYSA-N 1 0 414.962 4.350 20 30 HIEDRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430180590 858069571 /nfs/dbraw/zinc/06/95/71/858069571.db2.gz RPOCAVQZGBHDQR-FQEVSTJZSA-N 1 0 407.905 4.063 20 30 HIEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000430182736 858070399 /nfs/dbraw/zinc/07/03/99/858070399.db2.gz ZFXLZRMTSVGOCE-SFHVURJKSA-N 1 0 413.403 4.015 20 30 HIEDRO C=CCC[C@@H]([NH2+][C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000430708896 858275104 /nfs/dbraw/zinc/27/51/04/858275104.db2.gz VIMAZVVHNZYAES-KBXCAEBGSA-N 1 0 423.376 4.455 20 30 HIEDRO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cccc(OCc3ccccc3C#N)c1)C[C@H](C)O2 ZINC000430765093 858296165 /nfs/dbraw/zinc/29/61/65/858296165.db2.gz DUSWLHZAWUOWHM-OHUGHZGNSA-N 1 0 406.526 4.296 20 30 HIEDRO C[C@@H]1C[C@]2(CCO1)C[N@@H+](Cc1cccc(OCc3cccc(C#N)c3)c1)C[C@H](C)O2 ZINC000430779835 858302084 /nfs/dbraw/zinc/30/20/84/858302084.db2.gz GPWMSCZJHZYRHM-OHUGHZGNSA-N 1 0 406.526 4.296 20 30 HIEDRO N#Cc1csc(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)c1 ZINC000437674351 863015880 /nfs/dbraw/zinc/01/58/80/863015880.db2.gz DFUCUNHYEZJDIY-UHFFFAOYSA-N 1 0 416.550 4.190 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000430967502 858385215 /nfs/dbraw/zinc/38/52/15/858385215.db2.gz SUGKORUNQVKFJB-INIZCTEOSA-N 1 0 418.563 4.034 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)cc1Cl ZINC000431001643 858400223 /nfs/dbraw/zinc/40/02/23/858400223.db2.gz WBDVKJUTOHEOSB-MRXNPFEDSA-N 1 0 401.919 4.339 20 30 HIEDRO C=CCN1C(=O)N(C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431165822 858481854 /nfs/dbraw/zinc/48/18/54/858481854.db2.gz HHAUWKQEGWDOJA-IRLDBZIGSA-N 1 0 423.582 4.022 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3nc4ccccc4o3)sc2C1 ZINC000431595529 858681007 /nfs/dbraw/zinc/68/10/07/858681007.db2.gz JYOYDXZEFOMPNP-AWEZNQCLSA-N 1 0 408.527 4.346 20 30 HIEDRO CC(F)(F)c1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000432577519 859235683 /nfs/dbraw/zinc/23/56/83/859235683.db2.gz GYSAOYSEKDVNOR-UHFFFAOYSA-N 1 0 412.484 4.087 20 30 HIEDRO N#CCCC[C@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000433013709 859478508 /nfs/dbraw/zinc/47/85/08/859478508.db2.gz PDCWMCZPILESND-QFIPXVFZSA-N 1 0 404.514 4.167 20 30 HIEDRO N#CCCC[C@@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000433016979 859479360 /nfs/dbraw/zinc/47/93/60/859479360.db2.gz WDXYHQACPOJRBV-UYAOXDASSA-N 1 0 403.320 4.214 20 30 HIEDRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1OC ZINC000433030255 859489625 /nfs/dbraw/zinc/48/96/25/859489625.db2.gz JGEDTDJFICJUEJ-FCHUYYIVSA-N 1 0 421.541 4.392 20 30 HIEDRO N#CCCn1cc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2)c(-c2ccncc2)n1 ZINC000433310758 859632203 /nfs/dbraw/zinc/63/22/03/859632203.db2.gz DRABEILXQOJBKD-FQEVSTJZSA-N 1 0 420.948 4.271 20 30 HIEDRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000433311826 859632895 /nfs/dbraw/zinc/63/28/95/859632895.db2.gz NYNAXJHMNHUFHE-GOSISDBHSA-N 1 0 416.529 4.133 20 30 HIEDRO Cc1ccc([C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)N2CCCC2)cc1 ZINC000433320399 859639122 /nfs/dbraw/zinc/63/91/22/859639122.db2.gz UIOGCCZHMHRUMI-DEOSSOPVSA-N 1 0 414.557 4.094 20 30 HIEDRO CC1(C)C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c2ccc(F)cc2O1 ZINC000433324413 859642575 /nfs/dbraw/zinc/64/25/75/859642575.db2.gz AYSQXZVRFKZCIM-HXUWFJFHSA-N 1 0 405.477 4.390 20 30 HIEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CCc1ccc(C#N)cc1 ZINC000434322680 860282967 /nfs/dbraw/zinc/28/29/67/860282967.db2.gz WXEQVGPQYGUSBN-QHCPKHFHSA-N 1 0 413.525 4.082 20 30 HIEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000434348161 860304550 /nfs/dbraw/zinc/30/45/50/860304550.db2.gz DKIYWGYVYYIWBA-XMMPIXPASA-N 1 0 420.532 4.426 20 30 HIEDRO Cc1ccn(C2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)n1 ZINC000434509909 860380515 /nfs/dbraw/zinc/38/05/15/860380515.db2.gz KJHFBPMURSXTML-UHFFFAOYSA-N 1 0 411.575 4.059 20 30 HIEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1OC(F)(F)F ZINC000435127180 860653790 /nfs/dbraw/zinc/65/37/90/860653790.db2.gz VEHLWQPZMVQKOD-UHFFFAOYSA-N 1 0 415.419 4.389 20 30 HIEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1cccc(Br)c1 ZINC000435131865 860656121 /nfs/dbraw/zinc/65/61/21/860656121.db2.gz FRWIBMRINHASBN-UHFFFAOYSA-N 1 0 410.319 4.253 20 30 HIEDRO N#CCCn1cc(C[N@@H+]2CC[C@H](CSc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435135914 860658474 /nfs/dbraw/zinc/65/84/74/860658474.db2.gz WKKKEPWYXHYLPB-IBGZPJMESA-N 1 0 403.555 4.473 20 30 HIEDRO Cc1cc(NC(=O)CCc2ccc(C#N)cc2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435290502 860721498 /nfs/dbraw/zinc/72/14/98/860721498.db2.gz QUWOFIOOACMMBQ-QHCPKHFHSA-N 1 0 413.525 4.082 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1C#N ZINC000435557116 860877439 /nfs/dbraw/zinc/87/74/39/860877439.db2.gz QEIXEFRQURNUKS-FQEVSTJZSA-N 1 0 406.530 4.032 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1C#N ZINC000435557118 860877524 /nfs/dbraw/zinc/87/75/24/860877524.db2.gz QEIXEFRQURNUKS-HXUWFJFHSA-N 1 0 406.530 4.032 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000435741356 861022546 /nfs/dbraw/zinc/02/25/46/861022546.db2.gz OJCOKAJOFYMWNP-WFASDCNBSA-N 1 0 406.267 4.130 20 30 HIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000435752018 861031596 /nfs/dbraw/zinc/03/15/96/861031596.db2.gz VMTZVXLYWGXONG-XHDPSFHLSA-N 1 0 419.157 4.291 20 30 HIEDRO C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[N@@H+]1C ZINC000437744603 863069190 /nfs/dbraw/zinc/06/91/90/863069190.db2.gz KQTAQAASCIGCEO-PGRDOPGGSA-N 1 0 406.530 4.278 20 30 HIEDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC[N@@H+]1C ZINC000437981695 863347167 /nfs/dbraw/zinc/34/71/67/863347167.db2.gz BBZLLRGINUJWNZ-OXQOHEQNSA-N 1 0 410.493 4.223 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000437988466 863351717 /nfs/dbraw/zinc/35/17/17/863351717.db2.gz RMQKWTMYIQJBHW-RDJZCZTQSA-N 1 0 406.477 4.278 20 30 HIEDRO C[C@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000438003196 863364655 /nfs/dbraw/zinc/36/46/55/863364655.db2.gz VUFXCUUTKASGGO-INIZCTEOSA-N 1 0 414.456 4.288 20 30 HIEDRO C[C@H]1C[C@H](N(C)CC(=O)Nc2ccccc2SCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000438456538 863879865 /nfs/dbraw/zinc/87/98/65/863879865.db2.gz QNINDOOKPCRZAN-PZJWPPBQSA-N 1 0 422.598 4.226 20 30 HIEDRO N#Cc1ccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1C(F)(F)F ZINC000438638300 864071785 /nfs/dbraw/zinc/07/17/85/864071785.db2.gz DBLVHIGEJLTWAA-UHFFFAOYSA-N 1 0 402.420 4.495 20 30 HIEDRO C[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCN(c2ccccc2)CC1 ZINC000439004377 864458145 /nfs/dbraw/zinc/45/81/45/864458145.db2.gz HGSUWFNBICEWPS-UHFFFAOYSA-N 1 0 422.598 4.428 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C1CCN(c2ccccc2)CC1 ZINC000439016470 864468325 /nfs/dbraw/zinc/46/83/25/864468325.db2.gz YPFKAFGASGEQHI-UHFFFAOYSA-N 1 0 422.598 4.428 20 30 HIEDRO CC[C@@](C)(O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000439272520 864689813 /nfs/dbraw/zinc/68/98/13/864689813.db2.gz KWBATYFLOBXBJI-HSZRJFAPSA-N 1 0 411.571 4.100 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000439310752 864740925 /nfs/dbraw/zinc/74/09/25/864740925.db2.gz AFKDUBLJHGDCBX-QGZVFWFLSA-N 1 0 407.518 4.088 20 30 HIEDRO C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000439363902 864802759 /nfs/dbraw/zinc/80/27/59/864802759.db2.gz ZSHBRYSVRCAVKM-UHFFFAOYSA-N 1 0 421.541 4.451 20 30 HIEDRO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000439588409 864910698 /nfs/dbraw/zinc/91/06/98/864910698.db2.gz FVQSLVVOMXNQOQ-LJQANCHMSA-N 1 0 412.578 4.035 20 30 HIEDRO C[C@@H]([NH2+]CC1(c2cccc(Br)c2)CCCCC1)C(=O)N(C)CCC#N ZINC000439657617 864985099 /nfs/dbraw/zinc/98/50/99/864985099.db2.gz FHHODRRSXZNZGM-MRXNPFEDSA-N 1 0 406.368 4.001 20 30 HIEDRO CCCc1c(NC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439666580 864997172 /nfs/dbraw/zinc/99/71/72/864997172.db2.gz OXTURJFQRYWNBM-LJQANCHMSA-N 1 0 422.577 4.330 20 30 HIEDRO CCCc1c(NC(=O)N2CC[NH+](C3CCCCC3)CC2)cnn1-c1cccc(C#N)c1 ZINC000439681218 865015824 /nfs/dbraw/zinc/01/58/24/865015824.db2.gz NVDQPGPWOSCIRA-UHFFFAOYSA-N 1 0 420.561 4.179 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000440251495 865493077 /nfs/dbraw/zinc/49/30/77/865493077.db2.gz DFPXUSIRMDITTO-OAQYLSRUSA-N 1 0 400.473 4.083 20 30 HIEDRO N#Cc1ccc(CC(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1 ZINC000440439964 865742391 /nfs/dbraw/zinc/74/23/91/865742391.db2.gz LOUQKSRUOKQDSH-NRFANRHFSA-N 1 0 415.459 4.014 20 30 HIEDRO COc1cc(C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)ccc1C#N ZINC000440815237 865932508 /nfs/dbraw/zinc/93/25/08/865932508.db2.gz HTQURAFBDMFUJK-UHFFFAOYSA-N 1 0 401.304 4.125 20 30 HIEDRO C[C@](C#N)(NC(=O)C[NH2+]C1(Cc2ccc(Br)cc2)CCCCC1)C1CC1 ZINC000440938842 866037024 /nfs/dbraw/zinc/03/70/24/866037024.db2.gz UKDOSDSLADQINP-HXUWFJFHSA-N 1 0 418.379 4.093 20 30 HIEDRO COc1ccc(CCC2CC[NH+](Cc3nnc(-c4cccc(C#N)c4)o3)CC2)cc1 ZINC000441188340 866261758 /nfs/dbraw/zinc/26/17/58/866261758.db2.gz KBEOJXKZHXIZQO-UHFFFAOYSA-N 1 0 402.498 4.462 20 30 HIEDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)c(C)c1 ZINC000441364166 866432192 /nfs/dbraw/zinc/43/21/92/866432192.db2.gz LRDDVFLHTYMVTC-ZJSXRUAMSA-N 1 0 415.541 4.166 20 30 HIEDRO COc1ccc(CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)CC(C)C)cc1OC ZINC000441390433 866461028 /nfs/dbraw/zinc/46/10/28/866461028.db2.gz XGPRGSJGKQLBTB-UHFFFAOYSA-N 1 0 420.513 4.326 20 30 HIEDRO N#Cc1cccc(-c2nnc(C[N@H+](Cc3ccc4c(c3)CCO4)C3CCCC3)o2)c1 ZINC000441472497 866549665 /nfs/dbraw/zinc/54/96/65/866549665.db2.gz IXSBKGHBIJHKNS-UHFFFAOYSA-N 1 0 400.482 4.488 20 30 HIEDRO CSc1ccc(OCC[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)cc1 ZINC000441542197 866619171 /nfs/dbraw/zinc/61/91/71/866619171.db2.gz FLGYYCGFYHAQJC-UHFFFAOYSA-N 1 0 404.539 4.029 20 30 HIEDRO Cc1cc(NC(=O)NCC2CCC(C#N)CC2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000441623339 866723671 /nfs/dbraw/zinc/72/36/71/866723671.db2.gz UCPDVUUZZBVAJK-QETWGEEDSA-N 1 0 420.561 4.090 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CC(C)(C)CC(=O)c1ccccc1 ZINC000442014735 867067446 /nfs/dbraw/zinc/06/74/46/867067446.db2.gz DAABAAYTQBRCJD-UHFFFAOYSA-N 1 0 405.542 4.138 20 30 HIEDRO CC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1c[nH]c2ccccc12 ZINC000442892640 867722889 /nfs/dbraw/zinc/72/28/89/867722889.db2.gz VTGFSBSYNDQXMH-UHFFFAOYSA-N 1 0 413.443 4.177 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)sc2c1CCC2 ZINC000443650658 868244201 /nfs/dbraw/zinc/24/42/01/868244201.db2.gz IUQSLPGPGOOZOI-CQSZACIVSA-N 1 0 415.946 4.244 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cccc2c1[nH]c1c(F)cccc1c2=O)C(C)C ZINC000444021814 868547940 /nfs/dbraw/zinc/54/79/40/868547940.db2.gz OTUOQAXOYJAJBN-NRFANRHFSA-N 1 0 421.516 4.249 20 30 HIEDRO C[N@H+](Cc1cccc(NS(=O)(=O)c2ccccc2)c1)Cc1ccc(F)c(C#N)c1 ZINC000468279315 882201221 /nfs/dbraw/zinc/20/12/21/882201221.db2.gz BZJQQJBIWXVCFN-UHFFFAOYSA-N 1 0 409.486 4.130 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](COCc3ccccc3)C2)sc2c1CCCC2 ZINC000444172854 868649167 /nfs/dbraw/zinc/64/91/67/868649167.db2.gz SGQOMTCHHNJHHP-LJQANCHMSA-N 1 0 423.582 4.366 20 30 HIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)C12CCCCC2 ZINC000444229763 868678873 /nfs/dbraw/zinc/67/88/73/868678873.db2.gz XLKIJTYXWGRVMX-WOJBJXKFSA-N 1 0 401.576 4.300 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(Br)cc(C(F)(F)F)c1 ZINC000444395418 868808459 /nfs/dbraw/zinc/80/84/59/868808459.db2.gz GUQGLWOVSYJVDQ-UHFFFAOYSA-N 1 0 421.261 4.167 20 30 HIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000444638702 868924927 /nfs/dbraw/zinc/92/49/27/868924927.db2.gz LMEFBNSTTRIAQP-HNNXBMFYSA-N 1 0 407.356 4.215 20 30 HIEDRO Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]CCC(C#N)(c1ccccc1)c1ccccc1 ZINC000444684593 868958964 /nfs/dbraw/zinc/95/89/64/868958964.db2.gz NGAQPBWWTNKETN-ZCYQVOJMSA-N 1 0 414.553 4.357 20 30 HIEDRO COc1ccc(C2([NH2+]Cc3ccc(C#N)cc3OC(F)F)CCOCC2)cc1F ZINC000444806756 869021267 /nfs/dbraw/zinc/02/12/67/869021267.db2.gz XHWMJJYYIRFWNB-UHFFFAOYSA-N 1 0 406.404 4.103 20 30 HIEDRO C=CCc1cc(C[NH2+]C2(c3cccc(OC)c3F)CCOCC2)cc(OC)c1O ZINC000446820556 870736297 /nfs/dbraw/zinc/73/62/97/870736297.db2.gz FAXCHTVOUUEEBQ-UHFFFAOYSA-N 1 0 401.478 4.073 20 30 HIEDRO Cc1ccc(NC(=O)CC[N@H+](Cc2ccc(C#N)cc2)Cc2cccc(F)c2)nc1 ZINC000447309428 871203979 /nfs/dbraw/zinc/20/39/79/871203979.db2.gz NNLQNMTVYKUZMC-UHFFFAOYSA-N 1 0 402.473 4.432 20 30 HIEDRO N#Cc1ccc(OCC[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)cc1 ZINC000447328014 871219739 /nfs/dbraw/zinc/21/97/39/871219739.db2.gz XBIGUFJNNNQZTJ-UHFFFAOYSA-N 1 0 406.404 4.131 20 30 HIEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000447378893 871284176 /nfs/dbraw/zinc/28/41/76/871284176.db2.gz AWTMOEPWYOHIPR-GOSISDBHSA-N 1 0 411.571 4.199 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3cc(C(C)(C)C)n[nH]3)sc2C1 ZINC000447403307 871313663 /nfs/dbraw/zinc/31/36/63/871313663.db2.gz DLYOCQQLLMGNPE-AWEZNQCLSA-N 1 0 413.591 4.226 20 30 HIEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cccc21 ZINC000447722001 871666510 /nfs/dbraw/zinc/66/65/10/871666510.db2.gz HUQBIRLFYGUKIW-NRFANRHFSA-N 1 0 414.465 4.383 20 30 HIEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)cccc21 ZINC000447726809 871674436 /nfs/dbraw/zinc/67/44/36/871674436.db2.gz IEWCRQIKPSVXSX-NRFANRHFSA-N 1 0 415.497 4.101 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000448201660 872093501 /nfs/dbraw/zinc/09/35/01/872093501.db2.gz HURSEIZEHSIFJQ-OFVILXPXSA-N 1 0 415.537 4.226 20 30 HIEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(Cc2nccn2C)CC1 ZINC000448305695 872237703 /nfs/dbraw/zinc/23/77/03/872237703.db2.gz CNOYBZLZDJICOT-UHFFFAOYSA-N 1 0 407.436 4.099 20 30 HIEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460370909 873005546 /nfs/dbraw/zinc/00/55/46/873005546.db2.gz SBGQRSPTQZEAAV-OFNKIYASSA-N 1 0 416.573 4.406 20 30 HIEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460370908 873006515 /nfs/dbraw/zinc/00/65/15/873006515.db2.gz SBGQRSPTQZEAAV-NZQKXSOJSA-N 1 0 416.573 4.406 20 30 HIEDRO C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460372491 873009479 /nfs/dbraw/zinc/00/94/79/873009479.db2.gz DUYQYYACUMYENF-RTBURBONSA-N 1 0 404.562 4.076 20 30 HIEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460373613 873010265 /nfs/dbraw/zinc/01/02/65/873010265.db2.gz DZWKDHATEFGFGD-PGRDOPGGSA-N 1 0 404.562 4.236 20 30 HIEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460378839 873018229 /nfs/dbraw/zinc/01/82/29/873018229.db2.gz ZVBMJWDGRFFMIY-UYAOXDASSA-N 1 0 404.562 4.378 20 30 HIEDRO C=C(C)Cn1c(COc2ccccc2CC)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460538980 873239096 /nfs/dbraw/zinc/23/90/96/873239096.db2.gz LGPRJJSXFXRSMW-TZIWHRDSSA-N 1 0 409.578 4.059 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460566471 873297534 /nfs/dbraw/zinc/29/75/34/873297534.db2.gz SGLBTMJYHLUOFZ-NHCUHLMSSA-N 1 0 409.578 4.113 20 30 HIEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460765776 873608307 /nfs/dbraw/zinc/60/83/07/873608307.db2.gz DEJLQGJLCHHBLR-ICSRJNTNSA-N 1 0 418.545 4.239 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460778948 873631609 /nfs/dbraw/zinc/63/16/09/873631609.db2.gz OEAFMRKLWAHSKQ-SJLPKXTDSA-N 1 0 417.504 4.186 20 30 HIEDRO N#C[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1ccc(Br)cc1 ZINC000468626121 882752532 /nfs/dbraw/zinc/75/25/32/882752532.db2.gz ZRVKFZXDBBIKGZ-LJQANCHMSA-N 1 0 407.271 4.004 20 30 HIEDRO C=CCCCCNC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000460887050 873799972 /nfs/dbraw/zinc/79/99/72/873799972.db2.gz XWPINWCJKDPZCX-UHFFFAOYSA-N 1 0 408.384 4.411 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460963171 873860837 /nfs/dbraw/zinc/86/08/37/873860837.db2.gz XNSZZEBOLAGKJV-IEBWSBKVSA-N 1 0 415.969 4.150 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(Oc3cccc(Cl)c3Cl)nn2)CC1 ZINC000461113449 874037012 /nfs/dbraw/zinc/03/70/12/874037012.db2.gz MUPIWTWCRLPPHY-UHFFFAOYSA-N 1 0 421.328 4.346 20 30 HIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000468836230 882883153 /nfs/dbraw/zinc/88/31/53/882883153.db2.gz GAYHQIDWLXTJEB-YLJYHZDGSA-N 1 0 407.539 4.423 20 30 HIEDRO Cc1ccc([C@@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)[NH+]2CCCC2)cc1 ZINC000468837422 882883708 /nfs/dbraw/zinc/88/37/08/882883708.db2.gz DRRZKTFEWOGFHA-JOCHJYFZSA-N 1 0 400.482 4.089 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[C@@H]2C#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000461951844 875082767 /nfs/dbraw/zinc/08/27/67/875082767.db2.gz DCCWMYQVIBKYOR-PSBWJHGTSA-N 1 0 408.468 4.080 20 30 HIEDRO C[C@@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)c1cccc(C#N)c1 ZINC000462077370 875187322 /nfs/dbraw/zinc/18/73/22/875187322.db2.gz UINZLOGVSMYOHO-GOSISDBHSA-N 1 0 404.514 4.115 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCN(c3ccccc3Cl)C2=O)cc1OC ZINC000462727491 875804709 /nfs/dbraw/zinc/80/47/09/875804709.db2.gz WOAOZMNETJBSRF-SFHVURJKSA-N 1 0 400.906 4.199 20 30 HIEDRO CCCOc1c(Br)cc(C[NH2+]CCOc2ccc(C#N)cc2)cc1OC ZINC000462770466 875830586 /nfs/dbraw/zinc/83/05/86/875830586.db2.gz YSZMWUJNKVCBTG-UHFFFAOYSA-N 1 0 419.319 4.287 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccc(Br)cc1OCCCO ZINC000462937440 875962198 /nfs/dbraw/zinc/96/21/98/875962198.db2.gz CARHVBKQHJGEHY-XOBRGWDASA-N 1 0 415.331 4.420 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@]3(Cc4ccc(F)cc4)CCC[C@H]3O)CC2)cc1 ZINC000463235110 876290700 /nfs/dbraw/zinc/29/07/00/876290700.db2.gz GGFXUSYDTOWHBK-FTJBHMTQSA-N 1 0 421.560 4.025 20 30 HIEDRO C[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CCN1Cc1ccccc1 ZINC000463283740 876342269 /nfs/dbraw/zinc/34/22/69/876342269.db2.gz POOZJOCUKOTPRI-BSMGPNNRSA-N 1 0 404.558 4.286 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000463585799 876690380 /nfs/dbraw/zinc/69/03/80/876690380.db2.gz JGKTUEZLGOWOQH-UHFFFAOYSA-N 1 0 411.374 4.059 20 30 HIEDRO N#Cc1ccc(F)cc1CN1CCC(C(=O)Nc2ccccc2Br)CC1 ZINC000468999661 883065678 /nfs/dbraw/zinc/06/56/78/883065678.db2.gz OHIOXMMEAWOXDG-UHFFFAOYSA-N 1 0 416.294 4.311 20 30 HIEDRO N#CC1(NC(=O)CCc2cccc(C(F)(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000464160891 877329607 /nfs/dbraw/zinc/32/96/07/877329607.db2.gz QXAIISCXHGXQKJ-UHFFFAOYSA-N 1 0 415.459 4.313 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000464337973 877529441 /nfs/dbraw/zinc/52/94/41/877529441.db2.gz GSTUQSJLGRLZED-HSZRJFAPSA-N 1 0 403.526 4.132 20 30 HIEDRO C[NH+]1CCC(CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000503281015 912263126 /nfs/dbraw/zinc/26/31/26/912263126.db2.gz CFEINICHTBVFIP-UHFFFAOYSA-N 1 0 406.530 4.185 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](CSc3ccccc3)C2)cc1 ZINC000464777541 878021147 /nfs/dbraw/zinc/02/11/47/878021147.db2.gz VGBASQBTMXKPNS-FQEVSTJZSA-N 1 0 423.582 4.446 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464841072 878109502 /nfs/dbraw/zinc/10/95/02/878109502.db2.gz WFIUVVBNQVSCCY-IFMALSPDSA-N 1 0 411.615 4.105 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464841076 878109799 /nfs/dbraw/zinc/10/97/99/878109799.db2.gz WFIUVVBNQVSCCY-RBBKRZOGSA-N 1 0 411.615 4.105 20 30 HIEDRO CN(CC(=O)c1cn(CCC#N)c2ccccc12)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464842955 878114047 /nfs/dbraw/zinc/11/40/47/878114047.db2.gz NUQYGQUYNGCLSR-QFIPXVFZSA-N 1 0 414.553 4.192 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Br)cc1F ZINC000503339331 912316721 /nfs/dbraw/zinc/31/67/21/912316721.db2.gz FWZBRXRDGUDSEV-UHFFFAOYSA-N 1 0 419.298 4.056 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Br)cc(OC(C)C)c2)CC1 ZINC000465056156 878417328 /nfs/dbraw/zinc/41/73/28/878417328.db2.gz FWKGYQOYJVVMEP-UHFFFAOYSA-N 1 0 410.356 4.398 20 30 HIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000465188457 878581482 /nfs/dbraw/zinc/58/14/82/878581482.db2.gz UXGBEWMTLUXYTM-DVECYGJZSA-N 1 0 421.541 4.321 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503405065 912385194 /nfs/dbraw/zinc/38/51/94/912385194.db2.gz IVXANYVYSDIFII-QRWLVFNGSA-N 1 0 406.368 4.071 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(Oc2ccc(F)cc2F)CC1)C(C)C ZINC000503406307 912386153 /nfs/dbraw/zinc/38/61/53/912386153.db2.gz NDPIWDCLYVLKGM-OAQYLSRUSA-N 1 0 421.532 4.216 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000465395804 878832625 /nfs/dbraw/zinc/83/26/25/878832625.db2.gz ALVVSAWKUGGYTJ-VSKRKVRLSA-N 1 0 406.530 4.288 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000465395805 878833190 /nfs/dbraw/zinc/83/31/90/878833190.db2.gz ALVVSAWKUGGYTJ-YPAWHYETSA-N 1 0 406.530 4.288 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000465443612 878874624 /nfs/dbraw/zinc/87/46/24/878874624.db2.gz PBDRVFYJEBZHGT-SMIHKQSGSA-N 1 0 402.542 4.305 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000465443609 878874713 /nfs/dbraw/zinc/87/47/13/878874713.db2.gz PBDRVFYJEBZHGT-SGNDLWITSA-N 1 0 402.542 4.305 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000465589780 879071967 /nfs/dbraw/zinc/07/19/67/879071967.db2.gz DHNCWWYPGVRWGW-WXFUMESZSA-N 1 0 402.542 4.305 20 30 HIEDRO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)[NH+]2CCCC2)o1 ZINC000465807838 879424870 /nfs/dbraw/zinc/42/48/70/879424870.db2.gz REJDHOLUXBXRLY-VSKRKVRLSA-N 1 0 406.530 4.206 20 30 HIEDRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000465973318 879641640 /nfs/dbraw/zinc/64/16/40/879641640.db2.gz PRZWRVKSRZOWQT-HSZRJFAPSA-N 1 0 406.574 4.388 20 30 HIEDRO CCCOc1c(Br)cc(C[NH2+]CCc2cccc(C#N)c2)cc1OC ZINC000466421742 880194695 /nfs/dbraw/zinc/19/46/95/880194695.db2.gz GXAOYCOYMBLTGK-UHFFFAOYSA-N 1 0 403.320 4.450 20 30 HIEDRO COc1ccc(C[NH2+]CCc2cccc(C#N)c2)cc1OCc1ccc([N+](=O)[O-])cc1 ZINC000466426646 880200697 /nfs/dbraw/zinc/20/06/97/880200697.db2.gz WAOIYKVCSGEJMK-UHFFFAOYSA-N 1 0 417.465 4.386 20 30 HIEDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C[N@@H+]1Cc1ccccc1 ZINC000467029958 880829465 /nfs/dbraw/zinc/82/94/65/880829465.db2.gz XRSGUZIHHOAVSY-WIYYLYMNSA-N 1 0 415.493 4.123 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000467216587 880945935 /nfs/dbraw/zinc/94/59/35/880945935.db2.gz JLXUFDUSZRXTGK-VWLOTQADSA-N 1 0 422.573 4.049 20 30 HIEDRO C=CCOc1ccc(C(=O)NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1OC ZINC000469489988 883727687 /nfs/dbraw/zinc/72/76/87/883727687.db2.gz MURXWYOYAQIVQZ-SFHVURJKSA-N 1 0 422.447 4.312 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)CSCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000469496749 883740550 /nfs/dbraw/zinc/74/05/50/883740550.db2.gz YSGSQOJBTWYAFY-IBGZPJMESA-N 1 0 421.488 4.229 20 30 HIEDRO N#Cc1ccc(CN2CCN(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)CC2)cc1 ZINC000503822807 912831917 /nfs/dbraw/zinc/83/19/17/912831917.db2.gz XMJNDSYWMGZULA-SANMLTNESA-N 1 0 424.548 4.369 20 30 HIEDRO C=CCn1c(SCCCN2CC[NH+](C(C)C)CC2)nnc1-c1ccc(Cl)cc1 ZINC000470437292 884834987 /nfs/dbraw/zinc/83/49/87/884834987.db2.gz UEPYPUXEPWWAMI-UHFFFAOYSA-N 1 0 420.026 4.293 20 30 HIEDRO CCCN(CCC[NH+](C)C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000470612846 885038099 /nfs/dbraw/zinc/03/80/99/885038099.db2.gz OJMOZWUPVULUTD-UHFFFAOYSA-N 1 0 407.518 4.006 20 30 HIEDRO N#CCCCN1C(=O)CCc2cc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)ccc21 ZINC000470856836 885352109 /nfs/dbraw/zinc/35/21/09/885352109.db2.gz ZNYGXFXHMHSBBY-UHFFFAOYSA-N 1 0 416.525 4.118 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCCN(c2ccccc2)C1 ZINC000471169983 885728445 /nfs/dbraw/zinc/72/84/45/885728445.db2.gz PJSFQLAPQFIITN-SFHVURJKSA-N 1 0 408.571 4.038 20 30 HIEDRO COc1ccc(C[N@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)cc1O ZINC000471173866 885733616 /nfs/dbraw/zinc/73/36/16/885733616.db2.gz VALKAIGZXKVOFI-UHFFFAOYSA-N 1 0 418.493 4.492 20 30 HIEDRO C[C@@H](CCNC(=O)c1occc1COc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000471443995 886110102 /nfs/dbraw/zinc/11/01/02/886110102.db2.gz OBRZYVOHXFNTPC-IBGZPJMESA-N 1 0 417.509 4.371 20 30 HIEDRO C[C@@H](CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[N@H+](C)Cc1ccccc1 ZINC000471465763 886152667 /nfs/dbraw/zinc/15/26/67/886152667.db2.gz CJNHPMCPPRMFGV-IBGZPJMESA-N 1 0 414.509 4.386 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCc1cccc(C(F)(F)F)c1 ZINC000471744982 886469634 /nfs/dbraw/zinc/46/96/34/886469634.db2.gz ORYQRLWIJZYQEN-UHFFFAOYSA-N 1 0 417.475 4.490 20 30 HIEDRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc(C#N)cc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000471930755 886724760 /nfs/dbraw/zinc/72/47/60/886724760.db2.gz QQGXODVTYGVAEI-SFTDATJTSA-N 1 0 410.905 4.320 20 30 HIEDRO C=C(C)[C@@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000472184824 886984383 /nfs/dbraw/zinc/98/43/83/886984383.db2.gz BXFVHDIULFLNKP-ZRCGQRJVSA-N 1 0 411.496 4.355 20 30 HIEDRO C=C(C)[C@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000472184823 886984522 /nfs/dbraw/zinc/98/45/22/886984522.db2.gz BXFVHDIULFLNKP-MZKRTTBSSA-N 1 0 411.496 4.355 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472240386 887049104 /nfs/dbraw/zinc/04/91/04/887049104.db2.gz JVMNRFHCXNUOFX-OAQYLSRUSA-N 1 0 414.553 4.334 20 30 HIEDRO CC(C)[C@H](CO)[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccc1 ZINC000472252646 887062617 /nfs/dbraw/zinc/06/26/17/887062617.db2.gz VIMGXSQZRRRHGA-DEOSSOPVSA-N 1 0 403.526 4.257 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)CCc2ccccc2)c1C#N ZINC000472439170 887289282 /nfs/dbraw/zinc/28/92/82/887289282.db2.gz KQWNDZHVZOIJCQ-UHFFFAOYSA-N 1 0 404.514 4.121 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000472535084 887407806 /nfs/dbraw/zinc/40/78/06/887407806.db2.gz CXMUJABWJNLMHC-JTHBVZDNSA-N 1 0 408.521 4.107 20 30 HIEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000472736512 887582899 /nfs/dbraw/zinc/58/28/99/887582899.db2.gz HTOWIZQXXQNURI-HSZRJFAPSA-N 1 0 422.529 4.315 20 30 HIEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000472753850 887598843 /nfs/dbraw/zinc/59/88/43/887598843.db2.gz QAEJAMMYNYYWRU-QZTJIDSGSA-N 1 0 404.580 4.045 20 30 HIEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000472854023 887708463 /nfs/dbraw/zinc/70/84/63/887708463.db2.gz RXCUJYBRUZWCTC-UHFFFAOYSA-N 1 0 405.542 4.216 20 30 HIEDRO C[C@H](CCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000473009206 887838999 /nfs/dbraw/zinc/83/89/99/887838999.db2.gz GEYMKBSSWIAFIV-HUVFLSCGSA-N 1 0 404.558 4.378 20 30 HIEDRO COc1ccc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)cc1OCCCC#N ZINC000473066504 887887676 /nfs/dbraw/zinc/88/76/76/887887676.db2.gz UFYUHKRQMILERU-UHFFFAOYSA-N 1 0 412.505 4.086 20 30 HIEDRO COc1cc(C[N@@H+]2CCSC3(CCOCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000473163807 887941546 /nfs/dbraw/zinc/94/15/46/887941546.db2.gz JMJQKZTUNKOLOY-UHFFFAOYSA-N 1 0 424.566 4.244 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)sc2C1 ZINC000473173885 887950725 /nfs/dbraw/zinc/95/07/25/887950725.db2.gz WWXPJIWEAWWAGZ-GYCJOSAFSA-N 1 0 421.566 4.205 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@]4(C3)OCc3ccccc34)sc2C1 ZINC000473173881 887950788 /nfs/dbraw/zinc/95/07/88/887950788.db2.gz WWXPJIWEAWWAGZ-FYSMJZIKSA-N 1 0 421.566 4.205 20 30 HIEDRO CC1(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000473444726 888167377 /nfs/dbraw/zinc/16/73/77/888167377.db2.gz PTHDBFPJDRKUDM-UHFFFAOYSA-N 1 0 417.553 4.230 20 30 HIEDRO N#Cc1ccc(C2(C(=O)NCC3CC[NH+](Cc4ccccc4Cl)CC3)CC2)cc1 ZINC000473567929 888309394 /nfs/dbraw/zinc/30/93/94/888309394.db2.gz DKWSZRHIQXSWSF-UHFFFAOYSA-N 1 0 407.945 4.272 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000504421198 913235008 /nfs/dbraw/zinc/23/50/08/913235008.db2.gz FBNHOHYSROFUAL-PMACEKPBSA-N 1 0 419.569 4.017 20 30 HIEDRO COc1cc(C[N@@H+]2CCc3ccccc3[C@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000474273651 889137433 /nfs/dbraw/zinc/13/74/33/889137433.db2.gz DYPUPCGQZHHLSE-XMMPIXPASA-N 1 0 414.505 4.238 20 30 HIEDRO COC(=O)C[C@@](C)([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ccncc1 ZINC000475085111 889930880 /nfs/dbraw/zinc/93/08/80/889930880.db2.gz DSOYOUKYIAKXCR-RUZDIDTESA-N 1 0 415.493 4.100 20 30 HIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]CCCCc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000475208589 890077956 /nfs/dbraw/zinc/07/79/56/890077956.db2.gz YTGDYCJWESVOQI-NRFANRHFSA-N 1 0 415.459 4.290 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[C@H](c4cccc(F)c4)C3)CC2)cc1 ZINC000475396490 890324431 /nfs/dbraw/zinc/32/44/31/890324431.db2.gz IJMVYEQAPSZPIN-LADGPHEKSA-N 1 0 420.532 4.251 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Br)cc2OC(F)(F)F)CC1 ZINC000475579958 890509652 /nfs/dbraw/zinc/50/96/52/890509652.db2.gz WTLLJGXGLQXYSO-UHFFFAOYSA-N 1 0 422.245 4.120 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2c(CC)onc2-c2ccc(Br)cc2)CC1 ZINC000475647583 890590960 /nfs/dbraw/zinc/59/09/60/890590960.db2.gz FEQNGTJCTUCCII-UHFFFAOYSA-N 1 0 418.335 4.047 20 30 HIEDRO N#Cc1cccc(-c2nnc(CN3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)o2)c1 ZINC000475748315 890692782 /nfs/dbraw/zinc/69/27/82/890692782.db2.gz KUHXHJXEKCVHNV-VWLOTQADSA-N 1 0 413.525 4.096 20 30 HIEDRO C[C@@H]1C[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000504825126 913542315 /nfs/dbraw/zinc/54/23/15/913542315.db2.gz HMTREUPSKVFKIY-DVECYGJZSA-N 1 0 400.526 4.020 20 30 HIEDRO COc1cccc([C@@H]2[C@H](NC(=O)c3ccc(C(C)(C)C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000476599376 891533641 /nfs/dbraw/zinc/53/36/41/891533641.db2.gz QHJSMTMCPFIKFA-DHIUTWEWSA-N 1 0 403.526 4.204 20 30 HIEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@H](C)C1 ZINC000476809684 891795537 /nfs/dbraw/zinc/79/55/37/891795537.db2.gz UNVGPRUVDIXNPI-VGSWGCGISA-N 1 0 419.529 4.005 20 30 HIEDRO C=C(C)[C@@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)c1ccc(F)c(F)c1 ZINC000476846008 891820413 /nfs/dbraw/zinc/82/04/13/891820413.db2.gz MARMLASEPHLNNO-OAQYLSRUSA-N 1 0 403.473 4.022 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@H](CC)Cc2ccccc2Br)CC1 ZINC000476941196 891882453 /nfs/dbraw/zinc/88/24/53/891882453.db2.gz JEHKDNZJOPOUAD-LJQANCHMSA-N 1 0 422.411 4.452 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000477593817 892669927 /nfs/dbraw/zinc/66/99/27/892669927.db2.gz VUCDUXAMSWYJGQ-OAHLLOKOSA-N 1 0 408.468 4.089 20 30 HIEDRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CCCOc3cccc(C#N)c3)C2)cc1 ZINC000477760981 892849869 /nfs/dbraw/zinc/84/98/69/892849869.db2.gz GYWIRKNIEHNXIW-OAQYLSRUSA-N 1 0 406.530 4.169 20 30 HIEDRO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c1 ZINC000477767488 892854691 /nfs/dbraw/zinc/85/46/91/892854691.db2.gz RSFVQUJPMABAAQ-LJQANCHMSA-N 1 0 406.461 4.396 20 30 HIEDRO Cc1ccc(S(=O)(=O)N[C@H](CC[N@H+](CCC#N)CC2CC2)c2ccccc2)cc1 ZINC000478046237 893187087 /nfs/dbraw/zinc/18/70/87/893187087.db2.gz ZGENJKCBEWSPSO-HSZRJFAPSA-N 1 0 411.571 4.030 20 30 HIEDRO COc1cccc([C@H]2[C@H]([NH2+]Cc3cccc(OCCCC#N)c3)CCN2C2CC2)c1 ZINC000478177868 893342532 /nfs/dbraw/zinc/34/25/32/893342532.db2.gz MUFIRLANVVXXSW-RPBOFIJWSA-N 1 0 405.542 4.445 20 30 HIEDRO Cc1cc(C[C@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)n(-c2ccccc2)n1 ZINC000478241517 893407373 /nfs/dbraw/zinc/40/73/73/893407373.db2.gz WLDAQQWFBDUIEL-SFHVURJKSA-N 1 0 410.525 4.174 20 30 HIEDRO Cn1cc(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000478354326 893603897 /nfs/dbraw/zinc/60/38/97/893603897.db2.gz FTHHHDXFGWXSQI-UHFFFAOYSA-N 1 0 402.498 4.204 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)NC2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC1 ZINC000478613342 893876571 /nfs/dbraw/zinc/87/65/71/893876571.db2.gz CRWQUOXXCADNFK-UHFFFAOYSA-N 1 0 401.860 4.298 20 30 HIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000505144127 913840082 /nfs/dbraw/zinc/84/00/82/913840082.db2.gz WQPHESLPRXTYQS-UHFFFAOYSA-N 1 0 405.542 4.474 20 30 HIEDRO N#CC1(NC(=O)COc2c(Cl)cccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000479244772 894508847 /nfs/dbraw/zinc/50/88/47/894508847.db2.gz NATDPCAKSPPTRL-UHFFFAOYSA-N 1 0 418.324 4.047 20 30 HIEDRO Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2C#N)cc1 ZINC000479407836 894714815 /nfs/dbraw/zinc/71/48/15/894714815.db2.gz BYPOAQFUBQDHKB-GOSISDBHSA-N 1 0 419.550 4.340 20 30 HIEDRO Cn1cc(C[NH2+]Cc2ccc(COCC(F)(F)F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000479989007 895342706 /nfs/dbraw/zinc/34/27/06/895342706.db2.gz SSYIHZSDVMHBCF-UHFFFAOYSA-N 1 0 414.431 4.327 20 30 HIEDRO C[NH+](C)[C@@]1(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CCSC1 ZINC000480363864 895770709 /nfs/dbraw/zinc/77/07/09/895770709.db2.gz LOLOUILHWLXTSK-OAQYLSRUSA-N 1 0 415.946 4.171 20 30 HIEDRO C[NH+](C)[C@]1(CNC(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CCSC1 ZINC000480363846 895771013 /nfs/dbraw/zinc/77/10/13/895771013.db2.gz LOLOUILHWLXTSK-NRFANRHFSA-N 1 0 415.946 4.171 20 30 HIEDRO C=CCN(Cc1ccccc1F)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000505366627 914029761 /nfs/dbraw/zinc/02/97/61/914029761.db2.gz NZZZINUIYOAESQ-UHFFFAOYSA-N 1 0 411.521 4.197 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481169827 896504762 /nfs/dbraw/zinc/50/47/62/896504762.db2.gz GHUMOXXCFPELLU-DHLKQENFSA-N 1 0 418.585 4.050 20 30 HIEDRO C=C(C)[C@@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)c(F)c1 ZINC000481604340 896985186 /nfs/dbraw/zinc/98/51/86/896985186.db2.gz DTVSKZKKQYGQDH-HXUWFJFHSA-N 1 0 405.401 4.117 20 30 HIEDRO Cc1cc(NC(=O)CSCc2ccc(C#N)cc2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000481632756 897017839 /nfs/dbraw/zinc/01/78/39/897017839.db2.gz VZDWOMJMQJROSR-UHFFFAOYSA-N 1 0 422.598 4.269 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000481669246 897054041 /nfs/dbraw/zinc/05/40/41/897054041.db2.gz NLJGXGNEWZRFNB-HSZRJFAPSA-N 1 0 423.582 4.290 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)sc2c1CCCC2 ZINC000481686716 897071381 /nfs/dbraw/zinc/07/13/81/897071381.db2.gz BQUJFJOIHBYRKX-DEOSSOPVSA-N 1 0 421.566 4.349 20 30 HIEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481755747 897143636 /nfs/dbraw/zinc/14/36/36/897143636.db2.gz ZYFJUUUECNAUJT-OYYNGEPBSA-N 1 0 410.331 4.072 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481755743 897144264 /nfs/dbraw/zinc/14/42/64/897144264.db2.gz ZYFJUUUECNAUJT-KHDYIWLOSA-N 1 0 410.331 4.072 20 30 HIEDRO C=CCOc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1OC ZINC000481894320 897271796 /nfs/dbraw/zinc/27/17/96/897271796.db2.gz ZNUPNNFTBJAAEA-PKTZIBPZSA-N 1 0 420.553 4.387 20 30 HIEDRO N#Cc1ccc(CSCC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000481904084 897284300 /nfs/dbraw/zinc/28/43/00/897284300.db2.gz KAZYVFNFZQFPAZ-RPWUZVMVSA-N 1 0 419.594 4.305 20 30 HIEDRO N#Cc1ccc(CSCC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000481904082 897284830 /nfs/dbraw/zinc/28/48/30/897284830.db2.gz KAZYVFNFZQFPAZ-BJKOFHAPSA-N 1 0 419.594 4.305 20 30 HIEDRO C=CCOc1ccccc1C[NH2+][C@@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481918162 897302831 /nfs/dbraw/zinc/30/28/31/897302831.db2.gz CCTNNDSBVVCGSP-SFHVURJKSA-N 1 0 408.951 4.054 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000481930358 897314773 /nfs/dbraw/zinc/31/47/73/897314773.db2.gz WONFQNPEKATLOG-ISKFKSNPSA-N 1 0 403.526 4.024 20 30 HIEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000482034316 897446810 /nfs/dbraw/zinc/44/68/10/897446810.db2.gz AUCKXTMLTWFLEJ-UHFFFAOYSA-N 1 0 414.619 4.087 20 30 HIEDRO COC(=O)c1ccc(COc2ccc(C[NH2+][C@H](C)c3ccc(C#N)cc3)cc2OC)o1 ZINC000482200501 897678863 /nfs/dbraw/zinc/67/88/63/897678863.db2.gz TZXPPQNHWWEEHJ-MRXNPFEDSA-N 1 0 420.465 4.376 20 30 HIEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)[C@@H]1Oc1ccccc1 ZINC000482515045 898102321 /nfs/dbraw/zinc/10/23/21/898102321.db2.gz VUUFWXVIVLTBHO-ARNLJNQMSA-N 1 0 416.525 4.178 20 30 HIEDRO COc1ccc([C@@H](CCO)[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000482571157 898167347 /nfs/dbraw/zinc/16/73/47/898167347.db2.gz GRDDVRYXUIRNMQ-RUZDIDTESA-N 1 0 402.494 4.359 20 30 HIEDRO C=C(C)[C@@H](NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)c1ccc(F)c(F)c1 ZINC000482626717 898230504 /nfs/dbraw/zinc/23/05/04/898230504.db2.gz BRKDQZBIESMCNF-LEWJYISDSA-N 1 0 403.473 4.193 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000482758513 898365217 /nfs/dbraw/zinc/36/52/17/898365217.db2.gz CAJRLQLSWBGLMI-UHFFFAOYSA-N 1 0 423.605 4.389 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(N2CCCC2=O)c1 ZINC000482887461 898502296 /nfs/dbraw/zinc/50/22/96/898502296.db2.gz KHFBSQZPIDEAQD-PXNSSMCTSA-N 1 0 406.505 4.144 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000505583625 914291272 /nfs/dbraw/zinc/29/12/72/914291272.db2.gz DINKWYKHOPDJES-IRLDBZIGSA-N 1 0 419.569 4.161 20 30 HIEDRO C=C(C)[C@@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000483306912 898937440 /nfs/dbraw/zinc/93/74/40/898937440.db2.gz UZBXKGVWLDTRJP-OAQYLSRUSA-N 1 0 403.473 4.481 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[C@H](c4ccccc4F)C3)CC2)cc1 ZINC000483383931 899017966 /nfs/dbraw/zinc/01/79/66/899017966.db2.gz QUICVTDPJZSJOE-FCHUYYIVSA-N 1 0 420.532 4.251 20 30 HIEDRO N#Cc1ccc(-c2nnc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)o2)cc1 ZINC000483507303 899166900 /nfs/dbraw/zinc/16/69/00/899166900.db2.gz XTFZFFRYGOVDNV-GOTSBHOMSA-N 1 0 413.525 4.095 20 30 HIEDRO N#Cc1ccc(-c2nnc(CN3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)o2)cc1 ZINC000483507305 899169753 /nfs/dbraw/zinc/16/97/53/899169753.db2.gz XTFZFFRYGOVDNV-PKTZIBPZSA-N 1 0 413.525 4.095 20 30 HIEDRO C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505634082 914333777 /nfs/dbraw/zinc/33/37/77/914333777.db2.gz QQGTZPMHCHDMLA-SBUREZEXSA-N 1 0 403.482 4.151 20 30 HIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ncccc3OCCCC#N)cc2)C1 ZINC000483893616 899566354 /nfs/dbraw/zinc/56/63/54/899566354.db2.gz KGSOPWACSJTIFV-LJQANCHMSA-N 1 0 421.545 4.318 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cc1F ZINC000484076971 899710494 /nfs/dbraw/zinc/71/04/94/899710494.db2.gz MEZMEOMFLLZSEY-UHFFFAOYSA-N 1 0 416.294 4.311 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)c2)cc1 ZINC000505692081 914382032 /nfs/dbraw/zinc/38/20/32/914382032.db2.gz OWNDWTDHRHZLGD-DHIUTWEWSA-N 1 0 404.514 4.080 20 30 HIEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC000484793163 900198735 /nfs/dbraw/zinc/19/87/35/900198735.db2.gz SQBZBXHBOCENPD-OAHLLOKOSA-N 1 0 410.823 4.249 20 30 HIEDRO Cc1ccc(C[C@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccccn2)cc1 ZINC000484912339 900289840 /nfs/dbraw/zinc/28/98/40/900289840.db2.gz XNVPTSZTLOOHIQ-DQEYMECFSA-N 1 0 410.521 4.331 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]CC3(c4cccc(Cl)c4)CCOCC3)C2=O)cc1 ZINC000485276991 900554977 /nfs/dbraw/zinc/55/49/77/900554977.db2.gz XVHGXYHUNLNFQW-QFIPXVFZSA-N 1 0 423.944 4.045 20 30 HIEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000485421497 900720634 /nfs/dbraw/zinc/72/06/34/900720634.db2.gz OYDCPXFTKSZOAF-OAQYLSRUSA-N 1 0 406.530 4.137 20 30 HIEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 ZINC000485425807 900723906 /nfs/dbraw/zinc/72/39/06/900723906.db2.gz JQDATRYHBXXRMM-OAQYLSRUSA-N 1 0 406.530 4.251 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc3ncsc3c2)cc1 ZINC000485801516 901052254 /nfs/dbraw/zinc/05/22/54/901052254.db2.gz JOQYRUAHICZKBB-INIZCTEOSA-N 1 0 408.527 4.292 20 30 HIEDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cc(F)cc(Br)c1 ZINC000485827054 901073301 /nfs/dbraw/zinc/07/33/01/901073301.db2.gz YVSXPTVXVPIIPF-GUYCJALGSA-N 1 0 410.331 4.360 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[NH+](C2CCCCC2)CC1 ZINC000486246166 901429835 /nfs/dbraw/zinc/42/98/35/901429835.db2.gz ZJYOQRFEPQHIDL-QGZVFWFLSA-N 1 0 414.619 4.166 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](COc3ccccc3)C2)sc2c1CCCC2 ZINC000505900572 914541758 /nfs/dbraw/zinc/54/17/58/914541758.db2.gz GDIWIUUQGAAOFB-QGZVFWFLSA-N 1 0 409.555 4.228 20 30 HIEDRO COc1cc(-c2ccccc2)ccc1C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000486885625 901931038 /nfs/dbraw/zinc/93/10/38/901931038.db2.gz WEGYCVFTPMMTHO-XMMPIXPASA-N 1 0 411.505 4.125 20 30 HIEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NCCCC[NH+](C)C ZINC000486903423 901949190 /nfs/dbraw/zinc/94/91/90/901949190.db2.gz VAINTWYTOPCOKR-UHFFFAOYSA-N 1 0 414.575 4.097 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000486943557 901980964 /nfs/dbraw/zinc/98/09/64/901980964.db2.gz VMCRXTRTJJQQLY-HSZRJFAPSA-N 1 0 406.530 4.250 20 30 HIEDRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H](CCCC#N)c3ccccc3)CC2)c1 ZINC000487567730 902244085 /nfs/dbraw/zinc/24/40/85/902244085.db2.gz FCFOZNUBCOGBCG-XMMPIXPASA-N 1 0 404.558 4.059 20 30 HIEDRO CN(C(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487936953 902467480 /nfs/dbraw/zinc/46/74/80/902467480.db2.gz UTYVREIJMRQLHW-SFHVURJKSA-N 1 0 413.319 4.059 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000487937325 902467908 /nfs/dbraw/zinc/46/79/08/902467908.db2.gz XJDZCQKZXSCALT-CVEARBPZSA-N 1 0 419.367 4.439 20 30 HIEDRO C[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000487997348 902519148 /nfs/dbraw/zinc/51/91/48/902519148.db2.gz VXBHSOQHOWWXSK-UGSOOPFHSA-N 1 0 401.308 4.134 20 30 HIEDRO N#C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000505982191 914646260 /nfs/dbraw/zinc/64/62/60/914646260.db2.gz QHMCSLIUNWJKHG-AZUAARDMSA-N 1 0 401.432 4.298 20 30 HIEDRO CC(C)CCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488457154 902833981 /nfs/dbraw/zinc/83/39/81/902833981.db2.gz AAQNJVQDUUITDL-DVECYGJZSA-N 1 0 405.542 4.435 20 30 HIEDRO CCOc1ccc([C@H](CC)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OCC ZINC000488459962 902834918 /nfs/dbraw/zinc/83/49/18/902834918.db2.gz MAUWZTHIUYASJU-FCHUYYIVSA-N 1 0 421.541 4.197 20 30 HIEDRO CC[C@H](CSc1ccc(Cl)cc1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488471583 902842064 /nfs/dbraw/zinc/84/20/64/902842064.db2.gz CNWKWNIEQIPWSV-TZIWHRDSSA-N 1 0 413.974 4.473 20 30 HIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]C3CC(c4ccc(C(F)(F)F)cc4)C3)C2=O)cc1 ZINC000488485870 902849594 /nfs/dbraw/zinc/84/95/94/902849594.db2.gz ZCYSNIGPTZANTK-DQVLVPHSSA-N 1 0 413.443 4.214 20 30 HIEDRO C=CCC[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)c1ccccc1 ZINC000488652965 902922399 /nfs/dbraw/zinc/92/23/99/902922399.db2.gz DHQRRYROAKPJTF-HSZRJFAPSA-N 1 0 405.542 4.072 20 30 HIEDRO C=CCC[C@@H](C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000488818517 903021683 /nfs/dbraw/zinc/02/16/83/903021683.db2.gz QTNNTNPQUNDJCB-HSZRJFAPSA-N 1 0 405.542 4.201 20 30 HIEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000488846099 903039261 /nfs/dbraw/zinc/03/92/61/903039261.db2.gz XQDNBTYAEMAOOM-SFHVURJKSA-N 1 0 421.566 4.035 20 30 HIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489850831 903631433 /nfs/dbraw/zinc/63/14/33/903631433.db2.gz VJYPCEWMYOAVTP-RDPSFJRHSA-N 1 0 404.558 4.389 20 30 HIEDRO C[C@@H]1CN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+](C2CCC2)C1 ZINC000489916966 903672048 /nfs/dbraw/zinc/67/20/48/903672048.db2.gz QSGRXSONLPRGOI-IBGZPJMESA-N 1 0 402.542 4.241 20 30 HIEDRO Cn1cc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c(-c2ccc(C#N)cc2)n1 ZINC000491206298 904482490 /nfs/dbraw/zinc/48/24/90/904482490.db2.gz SKOCTSUUKLVNNK-HSZRJFAPSA-N 1 0 404.489 4.279 20 30 HIEDRO C=CCN(CCc1ccco1)C(=O)Nc1cc(Cl)ccc1N1CC[NH+](CC)CC1 ZINC000491357014 904554316 /nfs/dbraw/zinc/55/43/16/904554316.db2.gz UPNWYKGMEXQKCN-UHFFFAOYSA-N 1 0 416.953 4.338 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)ccc1OC ZINC000492107985 904800882 /nfs/dbraw/zinc/80/08/82/904800882.db2.gz PWIVFHLZDRZUBP-SFHVURJKSA-N 1 0 424.310 4.375 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)ccc1OC ZINC000492107981 904800987 /nfs/dbraw/zinc/80/09/87/904800987.db2.gz PWIVFHLZDRZUBP-GOSISDBHSA-N 1 0 424.310 4.375 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nc3c(cccc3Br)s2)CC1 ZINC000494027954 905369079 /nfs/dbraw/zinc/36/90/79/905369079.db2.gz JJPQDNNMKZHKJX-UHFFFAOYSA-N 1 0 409.353 4.221 20 30 HIEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)CCCC(=O)Nc3ccccc3C#N)c2C1 ZINC000494461373 905744818 /nfs/dbraw/zinc/74/48/18/905744818.db2.gz PRLRZIHHCIMTEY-UHFFFAOYSA-N 1 0 404.514 4.277 20 30 HIEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494481457 905763428 /nfs/dbraw/zinc/76/34/28/905763428.db2.gz AHHWIYRLMWRPQT-APWZRJJASA-N 1 0 408.260 4.062 20 30 HIEDRO CC[N@H+](CCNC(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F)CCC(F)(F)F ZINC000494578324 905846311 /nfs/dbraw/zinc/84/63/11/905846311.db2.gz HFLNLBIWIUDGGP-ZDUSSCGKSA-N 1 0 421.332 4.142 20 30 HIEDRO CC[N@H+](CCNC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F)CCC(F)(F)F ZINC000494638224 905877294 /nfs/dbraw/zinc/87/72/94/905877294.db2.gz UBPHKANVVWSDSJ-ZDUSSCGKSA-N 1 0 403.342 4.003 20 30 HIEDRO CC(C)(C)c1ccc([C@H](C#N)NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)cc1 ZINC000495129755 906259756 /nfs/dbraw/zinc/25/97/56/906259756.db2.gz DAZLHVMNIJEZER-DEOSSOPVSA-N 1 0 419.569 4.183 20 30 HIEDRO N#CCCCOc1cccc(C[NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)c1 ZINC000512552140 921231342 /nfs/dbraw/zinc/23/13/42/921231342.db2.gz JQLUXPCAOUKXIF-UHFFFAOYSA-N 1 0 403.486 4.194 20 30 HIEDRO CS[C@@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C[C@H]1[NH+](C)C ZINC000495695383 906525225 /nfs/dbraw/zinc/52/52/25/906525225.db2.gz CGXWIIFCNRUGDE-UYAOXDASSA-N 1 0 415.946 4.122 20 30 HIEDRO COc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1OC(F)F ZINC000512589749 921251707 /nfs/dbraw/zinc/25/17/07/921251707.db2.gz AZVFCJINQJJATJ-UHFFFAOYSA-N 1 0 415.440 4.019 20 30 HIEDRO COc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1OCC(C)C ZINC000512617879 921263789 /nfs/dbraw/zinc/26/37/89/921263789.db2.gz PBZJJRBSQLJKMM-UHFFFAOYSA-N 1 0 421.541 4.452 20 30 HIEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512619540 921264478 /nfs/dbraw/zinc/26/44/78/921264478.db2.gz MFTKOBWNNMTJMI-HOTGVXAUSA-N 1 0 403.523 4.140 20 30 HIEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(COc2ccccc2)CC1 ZINC000496885014 906773658 /nfs/dbraw/zinc/77/36/58/906773658.db2.gz VTYJVLNVIXQXQK-IBGZPJMESA-N 1 0 409.505 4.252 20 30 HIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3c(F)cccc3N3CCCC3)CC2)c1 ZINC000512622142 921265120 /nfs/dbraw/zinc/26/51/20/921265120.db2.gz JKHBEQTWNGJUBU-UHFFFAOYSA-N 1 0 406.505 4.148 20 30 HIEDRO C[C@H]([NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc(C#N)cc1F ZINC000512625065 921266020 /nfs/dbraw/zinc/26/60/20/921266020.db2.gz LMFLGNQZWIUWIR-BTYIYWSLSA-N 1 0 421.438 4.440 20 30 HIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)c1 ZINC000512635279 921269574 /nfs/dbraw/zinc/26/95/74/921269574.db2.gz XLTXWNGKZSKGRU-UHFFFAOYSA-N 1 0 419.916 4.248 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1C ZINC000497378934 906867261 /nfs/dbraw/zinc/86/72/61/906867261.db2.gz QYYNRUNUDVIQHN-QHCPKHFHSA-N 1 0 415.541 4.113 20 30 HIEDRO C[N@@H+]1C[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)[C@H](c2ccccc2)C1 ZINC000497403912 906882843 /nfs/dbraw/zinc/88/28/43/906882843.db2.gz NSENFXGYAIAVKW-DQEYMECFSA-N 1 0 411.505 4.373 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(OC3CCCCC3)CC1)CCC2 ZINC000497422378 906895852 /nfs/dbraw/zinc/89/58/52/906895852.db2.gz NIRYDDMUCIZWRD-UHFFFAOYSA-N 1 0 401.576 4.251 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000497453634 906927881 /nfs/dbraw/zinc/92/78/81/906927881.db2.gz RUAQRELYVCGZLA-QHCPKHFHSA-N 1 0 409.578 4.216 20 30 HIEDRO C=C(CNC(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1)c1ccccc1 ZINC000512672812 921283022 /nfs/dbraw/zinc/28/30/22/921283022.db2.gz MRKNDIOPFOUABD-UHFFFAOYSA-N 1 0 422.573 4.026 20 30 HIEDRO CCN(CC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)Cc1ccccc1Cl ZINC000497508690 906998815 /nfs/dbraw/zinc/99/88/15/906998815.db2.gz RPADUCIMDFAYOS-UHFFFAOYSA-N 1 0 411.933 4.104 20 30 HIEDRO CC[N@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620609 907097847 /nfs/dbraw/zinc/09/78/47/907097847.db2.gz ZYEBWQOXMKQKPQ-HNNXBMFYSA-N 1 0 405.420 4.156 20 30 HIEDRO N#Cc1ccc(Cl)c(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)c1 ZINC000512784429 921310639 /nfs/dbraw/zinc/31/06/39/921310639.db2.gz YCEZGPRVKQYYGS-UHFFFAOYSA-N 1 0 418.324 4.138 20 30 HIEDRO COC(=O)c1cc2cc(C[NH+]3CCC(Oc4ccc(C#N)cc4F)CC3)ccc2o1 ZINC000512800733 921314011 /nfs/dbraw/zinc/31/40/11/921314011.db2.gz HCMFXVHUMGOIAD-UHFFFAOYSA-N 1 0 408.429 4.274 20 30 HIEDRO CC[C@H](Oc1ccccc1C(C)C)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000497901751 907374209 /nfs/dbraw/zinc/37/42/09/907374209.db2.gz WQVNASFHINMIQD-QHCPKHFHSA-N 1 0 407.558 4.429 20 30 HIEDRO N#Cc1ccsc1C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000497995962 907477541 /nfs/dbraw/zinc/47/75/41/907477541.db2.gz YVXMPKXNHGJKNC-UHFFFAOYSA-N 1 0 416.550 4.190 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000498358627 907856425 /nfs/dbraw/zinc/85/64/25/907856425.db2.gz HBQXLBQTHAQKRQ-DEOSSOPVSA-N 1 0 420.532 4.407 20 30 HIEDRO C=CCOc1cccc(NC(=O)N[C@H]2CC[N@H+](C3CC3)[C@H]2c2cccc(OC)c2)c1 ZINC000498392758 907876632 /nfs/dbraw/zinc/87/66/32/907876632.db2.gz UNAOMRXUCKNFPU-GOTSBHOMSA-N 1 0 407.514 4.360 20 30 HIEDRO CC[NH+](CC)CC1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CC1 ZINC000498511309 907982627 /nfs/dbraw/zinc/98/26/27/907982627.db2.gz SHWLSECVQMDWRL-UHFFFAOYSA-N 1 0 421.589 4.275 20 30 HIEDRO COc1cccc(C2CC[NH+](CC(=O)N(CCC#N)c3cccc(C)c3C)CC2)c1 ZINC000498679021 908109624 /nfs/dbraw/zinc/10/96/24/908109624.db2.gz FUIRIHAFBQWXFG-UHFFFAOYSA-N 1 0 405.542 4.438 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccc(F)cc1 ZINC000498731805 908160018 /nfs/dbraw/zinc/16/00/18/908160018.db2.gz ACTDZRQHHISKJE-XMMPIXPASA-N 1 0 417.484 4.309 20 30 HIEDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C[C@@H]1C ZINC000499564677 908842074 /nfs/dbraw/zinc/84/20/74/908842074.db2.gz SXOOGHHVCJBNPF-OALUTQOASA-N 1 0 406.530 4.392 20 30 HIEDRO COc1cc([C@@H](C)[NH2+]CCCC2(C#N)CCOCC2)ccc1OCc1ccncc1 ZINC000499597742 908851873 /nfs/dbraw/zinc/85/18/73/908851873.db2.gz AQFZTUGIOIOXCR-LJQANCHMSA-N 1 0 409.530 4.420 20 30 HIEDRO C=CCN1CC[C@H]([NH2+][C@@H](C)c2sc(-c3ccc(Br)cc3)nc2C)C1=O ZINC000499629480 908861072 /nfs/dbraw/zinc/86/10/72/908861072.db2.gz ZRJWLMJRWRJVKP-LRDDRELGSA-N 1 0 420.376 4.319 20 30 HIEDRO CC(C)N1C(=O)C[C@H]([NH2+]CCCC2(C#N)CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000499718333 908887807 /nfs/dbraw/zinc/88/78/07/908887807.db2.gz KALVBIPOYLJQNV-PZJWPPBQSA-N 1 0 421.944 4.220 20 30 HIEDRO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000500370048 909818742 /nfs/dbraw/zinc/81/87/42/909818742.db2.gz ZXOQQAIYEIDSOK-MJGOQDMVSA-N 1 0 413.443 4.371 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCNC(=O)CC2CCCCC2)c1 ZINC000500882614 910155789 /nfs/dbraw/zinc/15/57/89/910155789.db2.gz AUFQQOSWGJHZDY-UHFFFAOYSA-N 1 0 405.542 4.313 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000513107902 921555827 /nfs/dbraw/zinc/55/58/27/921555827.db2.gz JDKRJQROSXGYLC-MSOLQXFVSA-N 1 0 424.524 4.001 20 30 HIEDRO C=C(CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000501088005 910284992 /nfs/dbraw/zinc/28/49/92/910284992.db2.gz NBFXSPCFLNBVPC-GHTZIAJQSA-N 1 0 401.913 4.485 20 30 HIEDRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(C#N)c(C)c1)c1ccc(Br)cc1 ZINC000513123386 921567310 /nfs/dbraw/zinc/56/73/10/921567310.db2.gz USSLOSIEYBRCRQ-HXUWFJFHSA-N 1 0 401.304 4.197 20 30 HIEDRO COC(=O)C[C@](C)([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Br)cc1 ZINC000513151569 921586096 /nfs/dbraw/zinc/58/60/96/921586096.db2.gz YSUBVGUHSOIQKP-IBGZPJMESA-N 1 0 405.267 4.028 20 30 HIEDRO CCCC[NH+]1CCC(NC(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CC1 ZINC000501427839 910560970 /nfs/dbraw/zinc/56/09/70/910560970.db2.gz RJAAHKNWGWWWPH-UHFFFAOYSA-N 1 0 407.562 4.075 20 30 HIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000513155041 921589404 /nfs/dbraw/zinc/58/94/04/921589404.db2.gz UASDPCWCZYFGJN-SFHVURJKSA-N 1 0 416.447 4.003 20 30 HIEDRO C=CCOc1cccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000501695837 910766142 /nfs/dbraw/zinc/76/61/42/910766142.db2.gz IHHBYMNEKGGTRF-HXUWFJFHSA-N 1 0 408.546 4.483 20 30 HIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC000501751785 910810764 /nfs/dbraw/zinc/81/07/64/910810764.db2.gz MBMBQDYCVQVYTF-FQEVSTJZSA-N 1 0 408.546 4.483 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000501778206 910832656 /nfs/dbraw/zinc/83/26/56/910832656.db2.gz UDLRUHQVQGODGN-SFHVURJKSA-N 1 0 402.608 4.073 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000502152942 911075719 /nfs/dbraw/zinc/07/57/19/911075719.db2.gz CWUFMUJTDNZVDL-NFBKMPQASA-N 1 0 409.578 4.072 20 30 HIEDRO Cc1ccc(-c2cc(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)on2)cc1 ZINC000502190278 911127765 /nfs/dbraw/zinc/12/77/65/911127765.db2.gz YIULRKUSAZSYHQ-UHFFFAOYSA-N 1 0 400.482 4.372 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(N3CCc4ccccc43)CC2)c(-c2ccccc2)n1 ZINC000502323185 911299845 /nfs/dbraw/zinc/29/98/45/911299845.db2.gz UOWGUBGFYSIONW-UHFFFAOYSA-N 1 0 411.553 4.491 20 30 HIEDRO CC(C)Oc1cccc([C@@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000502534584 911539123 /nfs/dbraw/zinc/53/91/23/911539123.db2.gz CJBLUBHJPUJJBS-HXUWFJFHSA-N 1 0 420.557 4.324 20 30 HIEDRO CC1CC[NH+](C2CCC(NC(=O)NCCSCc3ccccc3C#N)CC2)CC1 ZINC000502536190 911540909 /nfs/dbraw/zinc/54/09/09/911540909.db2.gz SJLDKRLELVYDIF-UHFFFAOYSA-N 1 0 414.619 4.134 20 30 HIEDRO CCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C#N)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502876703 911878079 /nfs/dbraw/zinc/87/80/79/911878079.db2.gz JHSVRLHTDUVQGX-OAHLLOKOSA-N 1 0 412.559 4.304 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000506296354 914891303 /nfs/dbraw/zinc/89/13/03/914891303.db2.gz YHINRRCDIHOYMK-NRFANRHFSA-N 1 0 413.525 4.314 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000506477451 915080530 /nfs/dbraw/zinc/08/05/30/915080530.db2.gz BEBUMAHQDXIQSA-GOTSBHOMSA-N 1 0 410.606 4.137 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506478310 915081918 /nfs/dbraw/zinc/08/19/18/915081918.db2.gz FZOYPOPWRYSFLO-SQNIBIBYSA-N 1 0 414.619 4.022 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2ccc(OC)cc2)c2ccccc2OC)CC1 ZINC000506488745 915095372 /nfs/dbraw/zinc/09/53/72/915095372.db2.gz KSCJJCBNCAVPLE-XMMPIXPASA-N 1 0 423.557 4.133 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000506560560 915207245 /nfs/dbraw/zinc/20/72/45/915207245.db2.gz HGWPEKZGMBVDAW-WOJBJXKFSA-N 1 0 416.997 4.173 20 30 HIEDRO CCN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000506889442 915684063 /nfs/dbraw/zinc/68/40/63/915684063.db2.gz NUMMRZYXTBMSJI-IBGZPJMESA-N 1 0 422.598 4.129 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC2(C)CC[NH+](C)CC2)cc1 ZINC000506952885 915759284 /nfs/dbraw/zinc/75/92/84/915759284.db2.gz IPMWYYMYBMIQNN-UHFFFAOYSA-N 1 0 408.502 4.213 20 30 HIEDRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507424204 916195127 /nfs/dbraw/zinc/19/51/27/916195127.db2.gz TVSHAOXNJJTBIJ-MGPUTAFESA-N 1 0 417.538 4.231 20 30 HIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(Cl)c1 ZINC000507443406 916212930 /nfs/dbraw/zinc/21/29/30/916212930.db2.gz QXONWFPPIFRWCA-HRAATJIYSA-N 1 0 424.932 4.022 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)CC1 ZINC000507629954 916388121 /nfs/dbraw/zinc/38/81/21/916388121.db2.gz MOGAFWJXTMUGKM-UHFFFAOYSA-N 1 0 418.537 4.457 20 30 HIEDRO CC(C)C[N@H+](Cc1ccc(C#N)cc1)Cc1ccccc1OCC(=O)N1CCCC1 ZINC000507731339 916525364 /nfs/dbraw/zinc/52/53/64/916525364.db2.gz HVZCBEZUGQLUTO-UHFFFAOYSA-N 1 0 405.542 4.218 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](Cc3cccc(C(=O)NCc4ccco4)c3)CC2)cc1 ZINC000507849051 916668001 /nfs/dbraw/zinc/66/80/01/916668001.db2.gz CSNNBUZLNDGOMH-UHFFFAOYSA-N 1 0 415.493 4.125 20 30 HIEDRO Cn1cc(CN[C@H]2CCCc3cn(C4CCCC4)nc32)c(-c2ccc(C#N)cc2)n1 ZINC000507926964 916802610 /nfs/dbraw/zinc/80/26/10/916802610.db2.gz HRJNZCBVGZQUAM-QFIPXVFZSA-N 1 0 400.530 4.438 20 30 HIEDRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1 ZINC000508262970 917081081 /nfs/dbraw/zinc/08/10/81/917081081.db2.gz GPCPMZPUBJILCL-UHFFFAOYSA-N 1 0 420.557 4.153 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000508281847 917095737 /nfs/dbraw/zinc/09/57/37/917095737.db2.gz STJUUCQDVACNML-QGZVFWFLSA-N 1 0 408.502 4.355 20 30 HIEDRO C=CCOc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000508429443 917217609 /nfs/dbraw/zinc/21/76/09/917217609.db2.gz XNTJERALBBZMEF-NFBKMPQASA-N 1 0 407.558 4.446 20 30 HIEDRO C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508485805 917271414 /nfs/dbraw/zinc/27/14/14/917271414.db2.gz AAWXWCDVFJQSMI-UHFFFAOYSA-N 1 0 405.468 4.215 20 30 HIEDRO C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508505976 917291386 /nfs/dbraw/zinc/29/13/86/917291386.db2.gz DHKAAIDRVQRZKC-SFHVURJKSA-N 1 0 418.010 4.474 20 30 HIEDRO C=CCn1c(Cc2cccc3ccccc32)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508508213 917294717 /nfs/dbraw/zinc/29/47/17/917294717.db2.gz VZWVXFKFLCCNGD-UHFFFAOYSA-N 1 0 401.558 4.273 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[N@@H+](Cc2ccc(C(N)=O)cc2)C2CC2)c1 ZINC000508604057 917373880 /nfs/dbraw/zinc/37/38/80/917373880.db2.gz LMIVHPADMDRWLB-UHFFFAOYSA-N 1 0 411.505 4.401 20 30 HIEDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000508672716 917437936 /nfs/dbraw/zinc/43/79/36/917437936.db2.gz AXRNKGHJLPNFCK-NRFANRHFSA-N 1 0 400.526 4.325 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2ccccc2Cn2cncn2)c1 ZINC000508724485 917486522 /nfs/dbraw/zinc/48/65/22/917486522.db2.gz SFWGEPREKNFGJS-UHFFFAOYSA-N 1 0 409.493 4.067 20 30 HIEDRO C=CCN(C(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1nc2c(s1)CCCC2 ZINC000508769913 917524425 /nfs/dbraw/zinc/52/44/25/917524425.db2.gz RIBPWBRHFGQTDN-UHFFFAOYSA-N 1 0 413.612 4.404 20 30 HIEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508808907 917562502 /nfs/dbraw/zinc/56/25/02/917562502.db2.gz ITXUOCYISGAJLD-UHFFFAOYSA-N 1 0 409.578 4.115 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508826554 917578941 /nfs/dbraw/zinc/57/89/41/917578941.db2.gz OGNXIYWARNIJCT-QGZVFWFLSA-N 1 0 415.969 4.322 20 30 HIEDRO C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508829214 917582136 /nfs/dbraw/zinc/58/21/36/917582136.db2.gz SIVMGGSUKMHLIA-SFTDATJTSA-N 1 0 423.605 4.154 20 30 HIEDRO C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508840875 917593071 /nfs/dbraw/zinc/59/30/71/917593071.db2.gz NRDOQUALGWTHLB-IBGZPJMESA-N 1 0 417.557 4.432 20 30 HIEDRO C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508850516 917602438 /nfs/dbraw/zinc/60/24/38/917602438.db2.gz VHQXAYVANFXNQW-LJQANCHMSA-N 1 0 418.545 4.098 20 30 HIEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508850911 917604708 /nfs/dbraw/zinc/60/47/08/917604708.db2.gz WXZBZGRALQFEED-FPOVZHCZSA-N 1 0 404.562 4.094 20 30 HIEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000508866977 917621788 /nfs/dbraw/zinc/62/17/88/917621788.db2.gz NNXUXPLBAQNQED-FQEVSTJZSA-N 1 0 418.589 4.484 20 30 HIEDRO C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508876790 917630664 /nfs/dbraw/zinc/63/06/64/917630664.db2.gz YSRQINRCCSURPT-SFTDATJTSA-N 1 0 409.578 4.286 20 30 HIEDRO C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000508897662 917652920 /nfs/dbraw/zinc/65/29/20/917652920.db2.gz YNYDSWTZVYBSCV-LJQANCHMSA-N 1 0 424.549 4.132 20 30 HIEDRO C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000508908561 917665291 /nfs/dbraw/zinc/66/52/91/917665291.db2.gz UITLWZXLGLGOKV-NRFANRHFSA-N 1 0 423.605 4.012 20 30 HIEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000508921766 917678956 /nfs/dbraw/zinc/67/89/56/917678956.db2.gz MWUWHQHUDMXKIS-UHFFFAOYSA-N 1 0 408.594 4.173 20 30 HIEDRO C=CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508930997 917690248 /nfs/dbraw/zinc/69/02/48/917690248.db2.gz GINGHLNOXMPXFE-ICSRJNTNSA-N 1 0 403.530 4.330 20 30 HIEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000508946154 917703609 /nfs/dbraw/zinc/70/36/09/917703609.db2.gz QSWPLADSKNFZRP-QFIPXVFZSA-N 1 0 423.605 4.300 20 30 HIEDRO C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508953575 917710340 /nfs/dbraw/zinc/71/03/40/917710340.db2.gz VBYPJPYYFORPEW-OAQYLSRUSA-N 1 0 403.574 4.376 20 30 HIEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508957153 917714474 /nfs/dbraw/zinc/71/44/74/917714474.db2.gz XBDAJADCFMGJLI-IBGZPJMESA-N 1 0 402.546 4.052 20 30 HIEDRO C=CCn1c(Cc2cccc3ccccc32)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508999351 917753394 /nfs/dbraw/zinc/75/33/94/917753394.db2.gz WCNBHOLMHXGVLY-FQEVSTJZSA-N 1 0 403.574 4.376 20 30 HIEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)[C@H](C(F)(F)F)C1 ZINC000509197142 917901930 /nfs/dbraw/zinc/90/19/30/917901930.db2.gz QWCVFXOWPFQZOK-BZPMIXESSA-N 1 0 414.365 4.296 20 30 HIEDRO CC[N@@H+]1CCC[C@@H](CN(C)c2c(C#N)cnc3c(C)cc(C)cc32)[C@@H]1c1cnn(C)c1 ZINC000509601110 918250486 /nfs/dbraw/zinc/25/04/86/918250486.db2.gz OCEQJGPUGPBZDC-YADARESESA-N 1 0 416.573 4.366 20 30 HIEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CCC([NH+]4CCCCC4)CC3)s2)cc1 ZINC000509640855 918282727 /nfs/dbraw/zinc/28/27/27/918282727.db2.gz QOWBHDBMAIKMMZ-UHFFFAOYSA-N 1 0 409.559 4.088 20 30 HIEDRO C=CCc1cc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc(OC)c1O ZINC000509751435 918368752 /nfs/dbraw/zinc/36/87/52/918368752.db2.gz QEAXCHWNGKRYPE-UHFFFAOYSA-N 1 0 413.493 4.055 20 30 HIEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccc(OC)c(OC)c1 ZINC000510227967 918770308 /nfs/dbraw/zinc/77/03/08/918770308.db2.gz KKKVVTKPYJBGTD-NRFANRHFSA-N 1 0 409.530 4.308 20 30 HIEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc(OC)c(OC)c1 ZINC000510252113 918787934 /nfs/dbraw/zinc/78/79/34/918787934.db2.gz DNZFFPQLMVDXDC-WTWLLKEWSA-N 1 0 401.551 4.064 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1 ZINC000510487361 918937640 /nfs/dbraw/zinc/93/76/40/918937640.db2.gz AZAFFYNSUVQGHZ-UHFFFAOYSA-N 1 0 417.553 4.362 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000510504040 918953354 /nfs/dbraw/zinc/95/33/54/918953354.db2.gz WWGVXHRKLJXLGB-JOCHJYFZSA-N 1 0 424.520 4.064 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000510507282 918954312 /nfs/dbraw/zinc/95/43/12/918954312.db2.gz YMYWOIXBLLDUQQ-NRFANRHFSA-N 1 0 410.518 4.170 20 30 HIEDRO C=CCOc1cccc(NC(=O)NCc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000510537011 918982556 /nfs/dbraw/zinc/98/25/56/918982556.db2.gz ZZCBFYUWKCRQHX-RTBURBONSA-N 1 0 409.530 4.182 20 30 HIEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[NH+](C)C ZINC000510544517 918989988 /nfs/dbraw/zinc/98/99/88/918989988.db2.gz ISNGZACDLJLYNR-MHECFPHRSA-N 1 0 414.509 4.475 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc1 ZINC000510696789 919133708 /nfs/dbraw/zinc/13/37/08/919133708.db2.gz FIIXYDHPZKABML-QFIPXVFZSA-N 1 0 424.520 4.064 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000511025684 919599046 /nfs/dbraw/zinc/59/90/46/919599046.db2.gz FIAMKKDXUWHHDA-MZKRTTBSSA-N 1 0 414.594 4.120 20 30 HIEDRO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000511048339 919639283 /nfs/dbraw/zinc/63/92/83/919639283.db2.gz OLYZJYTXASCETC-IERDGZPVSA-N 1 0 415.459 4.289 20 30 HIEDRO C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511378909 919978412 /nfs/dbraw/zinc/97/84/12/919978412.db2.gz MZXFEFZZXCDMJZ-FXAWDEMLSA-N 1 0 404.514 4.128 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@](F)(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000511441924 920050796 /nfs/dbraw/zinc/05/07/96/920050796.db2.gz VYUKKDZBXSXLEZ-FQEVSTJZSA-N 1 0 413.459 4.326 20 30 HIEDRO N#Cc1ccc(Cl)c(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)c1 ZINC000511739551 920414162 /nfs/dbraw/zinc/41/41/62/920414162.db2.gz RXOBRLFWDADKJO-UHFFFAOYSA-N 1 0 410.905 4.278 20 30 HIEDRO N#CCCn1cc(C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c2ccccc21 ZINC000511782160 920472776 /nfs/dbraw/zinc/47/27/76/920472776.db2.gz XEWBHLKLDQMIJI-NMVJMZGASA-N 1 0 413.521 4.242 20 30 HIEDRO C=CCN1CCC([NH2+][C@@H](C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000512013449 920785277 /nfs/dbraw/zinc/78/52/77/920785277.db2.gz ATWNVOZEBHOGNP-ZDUSSCGKSA-N 1 0 403.876 4.316 20 30 HIEDRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000512290589 921044892 /nfs/dbraw/zinc/04/48/92/921044892.db2.gz ZRGDLUXXHDMMQM-YDIMBITNSA-N 1 0 409.578 4.240 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)cc1 ZINC000515509946 923142833 /nfs/dbraw/zinc/14/28/33/923142833.db2.gz DVIAZFIDHUYVQM-JOCHJYFZSA-N 1 0 409.505 4.178 20 30 HIEDRO N#CCCN(C(=O)CN1CCC[N@H+](CC2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000515511380 923143476 /nfs/dbraw/zinc/14/34/76/923143476.db2.gz HNEMXOMAKRHVNT-UHFFFAOYSA-N 1 0 416.997 4.175 20 30 HIEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000516318924 923661604 /nfs/dbraw/zinc/66/16/04/923661604.db2.gz VCSYYLSPECGKGH-UHFFFAOYSA-N 1 0 408.594 4.255 20 30 HIEDRO C[C@@H]1C[N@@H+](CCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)C[C@H](C)O1 ZINC000516383666 923704939 /nfs/dbraw/zinc/70/49/39/923704939.db2.gz KAYGCQUWKSBGHS-KDURUIRLSA-N 1 0 423.582 4.080 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(OCC(C)C)c(OC)c2)CC1 ZINC000517318627 924100436 /nfs/dbraw/zinc/10/04/36/924100436.db2.gz ZISSBFRKWBTGLR-SFHVURJKSA-N 1 0 403.567 4.131 20 30 HIEDRO N#Cc1cc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1OCC(F)(F)F ZINC000517485893 924223806 /nfs/dbraw/zinc/22/38/06/924223806.db2.gz BVKAZNAZOZZIST-KRWDZBQOSA-N 1 0 417.431 4.350 20 30 HIEDRO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 ZINC000517648777 926756468 /nfs/dbraw/zinc/75/64/68/926756468.db2.gz XAAOPUCVQSNMBL-UHFFFAOYSA-N 1 0 419.481 4.313 20 30 HIEDRO C[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000517657495 926765683 /nfs/dbraw/zinc/76/56/83/926765683.db2.gz ZGGKQEFKTQMLKG-HXUWFJFHSA-N 1 0 413.521 4.388 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000517726151 926815918 /nfs/dbraw/zinc/81/59/18/926815918.db2.gz LLSSNDFWJDYTBX-XMMPIXPASA-N 1 0 423.557 4.239 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)CC1 ZINC000517984084 926929035 /nfs/dbraw/zinc/92/90/35/926929035.db2.gz ZBYIBFKCFQZXNO-CYBMUJFWSA-N 1 0 415.759 4.027 20 30 HIEDRO C=CCn1c(-c2ccccn2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000518152686 927049162 /nfs/dbraw/zinc/04/91/62/927049162.db2.gz UDLKYTITCFWUBI-FPOVZHCZSA-N 1 0 402.546 4.015 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1Cl ZINC000518271557 927130248 /nfs/dbraw/zinc/13/02/48/927130248.db2.gz ZMEOSTZVFBIPRF-QFIPXVFZSA-N 1 0 400.950 4.376 20 30 HIEDRO CC(C)CN(C(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 ZINC000518372396 927225590 /nfs/dbraw/zinc/22/55/90/927225590.db2.gz SUVGGVUSKOZLPJ-UHFFFAOYSA-N 1 0 404.558 4.150 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)cc1 ZINC000518839267 927540874 /nfs/dbraw/zinc/54/08/74/927540874.db2.gz NXHVSPOAVPZGCU-IBGZPJMESA-N 1 0 420.557 4.388 20 30 HIEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)NCCC[NH2+]C3CCCCC3)c2)c1 ZINC000518905938 927615912 /nfs/dbraw/zinc/61/59/12/927615912.db2.gz LPBYAIFQSGPWOR-UHFFFAOYSA-N 1 0 419.529 4.244 20 30 HIEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000520117159 928321402 /nfs/dbraw/zinc/32/14/02/928321402.db2.gz ZBWJERHKLAAJCM-NRFANRHFSA-N 1 0 419.569 4.114 20 30 HIEDRO CC(C)[C@@H](NC(=O)C[N@H+](Cc1ccc(C#N)cc1)C(C)C)c1ccc2c(c1)OCCO2 ZINC000520173521 928364779 /nfs/dbraw/zinc/36/47/79/928364779.db2.gz OENUMIQXLCUIEH-RUZDIDTESA-N 1 0 421.541 4.053 20 30 HIEDRO C=CCOc1c(Br)cc(CNCCC[N@@H+]2CCCC[C@H]2C)cc1OC ZINC000520208436 928389673 /nfs/dbraw/zinc/38/96/73/928389673.db2.gz XKEOPHPPJHRVST-MRXNPFEDSA-N 1 0 411.384 4.377 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1OC ZINC000520960185 928890704 /nfs/dbraw/zinc/89/07/04/928890704.db2.gz OMCTZUYFXXXKRE-UHFFFAOYSA-N 1 0 421.291 4.263 20 30 HIEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000521782149 929441614 /nfs/dbraw/zinc/44/16/14/929441614.db2.gz AKSYYVGREXVIOG-DEOSSOPVSA-N 1 0 404.558 4.390 20 30 HIEDRO CC(C)(C#N)c1ccc(NC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000521851850 929502363 /nfs/dbraw/zinc/50/23/63/929502363.db2.gz OFEZYORAIMEQJD-LEWJYISDSA-N 1 0 402.542 4.474 20 30 HIEDRO CC(C)C[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(C#N)cc1 ZINC000530867254 930844242 /nfs/dbraw/zinc/84/42/42/930844242.db2.gz WILBMYPHIDBERG-UHFFFAOYSA-N 1 0 400.320 4.417 20 30 HIEDRO CC(C)[N@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)Cc1ccc(C#N)cc1 ZINC000531643460 931137259 /nfs/dbraw/zinc/13/72/59/931137259.db2.gz NNUCRLFXATVDIL-UHFFFAOYSA-N 1 0 407.411 4.243 20 30 HIEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)cc1OCCCC#N ZINC000532035024 931292891 /nfs/dbraw/zinc/29/28/91/931292891.db2.gz IZPKVOPSBNHQIC-QGZVFWFLSA-N 1 0 401.457 4.024 20 30 HIEDRO CC(C)(C#N)CCC[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000532412750 931426735 /nfs/dbraw/zinc/42/67/35/931426735.db2.gz MPGNZYHSWOHWJU-FQEVSTJZSA-N 1 0 406.498 4.377 20 30 HIEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)c1 ZINC000532505574 931465711 /nfs/dbraw/zinc/46/57/11/931465711.db2.gz LQPBUSVFGCTAQI-UYAOXDASSA-N 1 0 408.521 4.290 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@H](C)Cc2ccc(C)cc2)c1C#N ZINC000532583084 931540468 /nfs/dbraw/zinc/54/04/68/931540468.db2.gz OHLPYNCVPMGVIG-GOSISDBHSA-N 1 0 418.541 4.428 20 30 HIEDRO COc1cc(C#N)ccc1OCC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000532716475 931605769 /nfs/dbraw/zinc/60/57/69/931605769.db2.gz UWRYFRKEDPXLAG-UHFFFAOYSA-N 1 0 422.504 4.050 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000532976278 931722930 /nfs/dbraw/zinc/72/29/30/931722930.db2.gz DGISLVYOOZCMJN-RUDSSYLZSA-N 1 0 410.606 4.135 20 30 HIEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000533004597 931732876 /nfs/dbraw/zinc/73/28/76/931732876.db2.gz DDPKKSOVXDYLNO-GOSISDBHSA-N 1 0 418.463 4.134 20 30 HIEDRO C[N@H+](CCCCCc1cc(-c2ccccc2)no1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000533269635 931824676 /nfs/dbraw/zinc/82/46/76/931824676.db2.gz APTCYWHHJBQLDF-HSZRJFAPSA-N 1 0 402.498 4.084 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[NH2+]C1(C(=O)N(CC)CC)CCCCC1 ZINC000533519105 931892476 /nfs/dbraw/zinc/89/24/76/931892476.db2.gz PAGIPWMVSGCUGJ-UHFFFAOYSA-N 1 0 403.592 4.064 20 30 HIEDRO Cc1ccc(-c2ncco2)cc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000534747590 932720373 /nfs/dbraw/zinc/72/03/73/932720373.db2.gz AZQSKYWOQOWFQG-UHFFFAOYSA-N 1 0 415.497 4.262 20 30 HIEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534968153 932866554 /nfs/dbraw/zinc/86/65/54/932866554.db2.gz XJZWYJFAZRJCHQ-UHFFFAOYSA-N 1 0 422.960 4.138 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(OC(F)(F)F)cc2Br)CC1 ZINC000535324326 933072606 /nfs/dbraw/zinc/07/26/06/933072606.db2.gz COKXUQWGIXMRID-UHFFFAOYSA-N 1 0 422.245 4.120 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCn3ccc4cc(Cl)ccc43)CC2)cc1 ZINC000535371171 933097644 /nfs/dbraw/zinc/09/76/44/933097644.db2.gz IKMOMEIPZLONCX-UHFFFAOYSA-N 1 0 420.944 4.291 20 30 HIEDRO C[N@@H+]1CC[C@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H]1c1ccccc1 ZINC000535466564 933156149 /nfs/dbraw/zinc/15/61/49/933156149.db2.gz SZRHWBGCYOQDOT-DQEYMECFSA-N 1 0 411.505 4.312 20 30 HIEDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000535664571 933308353 /nfs/dbraw/zinc/30/83/53/933308353.db2.gz BNDAYQCDMYFCLV-SFHVURJKSA-N 1 0 411.575 4.394 20 30 HIEDRO C=CCOc1ccc(C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1OC ZINC000535696793 933350111 /nfs/dbraw/zinc/35/01/11/933350111.db2.gz QLSMXXHDEWRJLV-UHFFFAOYSA-N 1 0 420.553 4.388 20 30 HIEDRO C=CCNC(=O)Nc1ccc(NCc2c(Cl)cccc2N2CC[NH+](C)CC2)cc1 ZINC000536130263 933678517 /nfs/dbraw/zinc/67/85/17/933678517.db2.gz LKHKTKNGGXVJRU-UHFFFAOYSA-N 1 0 413.953 4.011 20 30 HIEDRO CCOc1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1OC(F)F ZINC000537293431 933700940 /nfs/dbraw/zinc/70/09/40/933700940.db2.gz SHFYJNTZMKCABX-UHFFFAOYSA-N 1 0 415.484 4.313 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCN(c4ccc(Cl)c(F)c4)C3)CC2)cc1 ZINC000537307153 933707961 /nfs/dbraw/zinc/70/79/61/933707961.db2.gz LSHXWOILCPONLS-HXUWFJFHSA-N 1 0 412.940 4.184 20 30 HIEDRO CC(=O)N(c1nc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cs1)C1CC1 ZINC000537310783 933711223 /nfs/dbraw/zinc/71/12/23/933711223.db2.gz JMQNWOJQEYWHID-UHFFFAOYSA-N 1 0 410.543 4.010 20 30 HIEDRO O=C([C@H]1CC12CC[NH+](CC#Cc1ccc(C(F)(F)F)cc1)CC2)N1CCCCC1 ZINC000537848654 938389433 /nfs/dbraw/zinc/38/94/33/938389433.db2.gz MUHUHLAHASVSQH-HXUWFJFHSA-N 1 0 404.476 4.172 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537925919 938415658 /nfs/dbraw/zinc/41/56/58/938415658.db2.gz BEVZYTZQDBVNFS-QGZVFWFLSA-N 1 0 409.559 4.371 20 30 HIEDRO COc1cccc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)c1 ZINC000538128135 938513381 /nfs/dbraw/zinc/51/33/81/938513381.db2.gz IUHICXFNKCJWFW-QGZVFWFLSA-N 1 0 402.498 4.264 20 30 HIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)c1 ZINC000538130108 938514930 /nfs/dbraw/zinc/51/49/30/938514930.db2.gz ZQBSOWHBWZDUOW-HZPDHXFCSA-N 1 0 410.543 4.329 20 30 HIEDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)NC2(C#N)CCCCC2)ccc1OC1CCCC1 ZINC000538153585 938525217 /nfs/dbraw/zinc/52/52/17/938525217.db2.gz WXRIXMURJXTFID-ZWKOTPCHSA-N 1 0 413.562 4.398 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000538176515 938538089 /nfs/dbraw/zinc/53/80/89/938538089.db2.gz TWESIHHFWBYJPA-LPHOPBHVSA-N 1 0 400.544 4.163 20 30 HIEDRO N#CCCN(C(=O)C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)c1cccc(Cl)c1 ZINC000538231481 938566249 /nfs/dbraw/zinc/56/62/49/938566249.db2.gz PIUDJFZPUMQTGQ-GCJKJVERSA-N 1 0 411.933 4.344 20 30 HIEDRO N#CCCN(C(=O)C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(Cl)c1 ZINC000538231480 938566584 /nfs/dbraw/zinc/56/65/84/938566584.db2.gz PIUDJFZPUMQTGQ-AVRDEDQJSA-N 1 0 411.933 4.344 20 30 HIEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000538323711 938592579 /nfs/dbraw/zinc/59/25/79/938592579.db2.gz SLAKANMQJCBRTM-SFHVURJKSA-N 1 0 412.843 4.055 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]CCCC(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000538394484 938610153 /nfs/dbraw/zinc/61/01/53/938610153.db2.gz CCDVEXRCJSZMLI-UHFFFAOYSA-N 1 0 410.949 4.185 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCCN(Cc4c(F)cccc4F)C3)CC2)cc1 ZINC000538395396 938610156 /nfs/dbraw/zinc/61/01/56/938610156.db2.gz MSOYHPCDMBDMCP-JOCHJYFZSA-N 1 0 424.539 4.055 20 30 HIEDRO N#CCCn1cc(C[NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)c(-c2ccccc2)n1 ZINC000538499266 938636216 /nfs/dbraw/zinc/63/62/16/938636216.db2.gz DWPXEYNDPOBDKT-NRFANRHFSA-N 1 0 405.933 4.486 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H](CC(N)=O)c2cccc(Cl)c2)c1 ZINC000538534638 938643439 /nfs/dbraw/zinc/64/34/39/938643439.db2.gz AMMOSBBMBDBRCO-HSZRJFAPSA-N 1 0 419.912 4.497 20 30 HIEDRO Cc1cc(NC(=O)NCc2ccccc2-c2ccc(C[NH+](C)C)cc2)nn1CCC#N ZINC000538618102 938663137 /nfs/dbraw/zinc/66/31/37/938663137.db2.gz RJQMBCOBAPOWIU-UHFFFAOYSA-N 1 0 416.529 4.156 20 30 HIEDRO C=CCOc1c(Br)cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000538717012 938689186 /nfs/dbraw/zinc/68/91/86/938689186.db2.gz WOTVAJJRWNISHK-RDJZCZTQSA-N 1 0 411.384 4.327 20 30 HIEDRO N#Cc1ccc(CN2CCCN(C(=O)C3(Cc4ccc(Cl)cc4)CC3)CC2)cc1 ZINC000538861776 938727145 /nfs/dbraw/zinc/72/71/45/938727145.db2.gz QLKKXTDUWSTENV-UHFFFAOYSA-N 1 0 407.945 4.269 20 30 HIEDRO N#CC1(C(=O)Nc2cccc(N3CC[NH+](CCc4ccccc4)CC3)c2)CCCC1 ZINC000538933335 938740613 /nfs/dbraw/zinc/74/06/13/938740613.db2.gz RXTGWYXNDBOYSD-UHFFFAOYSA-N 1 0 402.542 4.074 20 30 HIEDRO CC[C@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1OCC(=O)N(C)C ZINC000539088792 938800387 /nfs/dbraw/zinc/80/03/87/938800387.db2.gz ZJBFWCZJRHVTTE-FQEVSTJZSA-N 1 0 418.459 4.265 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1-n1cccn1 ZINC000539261347 938829136 /nfs/dbraw/zinc/82/91/36/938829136.db2.gz OKNRGESVDHTXQY-MRXNPFEDSA-N 1 0 419.554 4.364 20 30 HIEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc(OCC3CC3)c(F)c2)c(C#N)c1C ZINC000539325702 938841771 /nfs/dbraw/zinc/84/17/71/938841771.db2.gz OZYMQJJWRCWTBB-ZDUSSCGKSA-N 1 0 401.507 4.454 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c1C ZINC000539333901 938843593 /nfs/dbraw/zinc/84/35/93/938843593.db2.gz JKMCIGYVKKTRLR-GMAHTHKFSA-N 1 0 405.542 4.308 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000539337879 938844328 /nfs/dbraw/zinc/84/43/28/938844328.db2.gz XQXREEKPSOLZJP-GOSISDBHSA-N 1 0 422.492 4.095 20 30 HIEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C1CCOCC1 ZINC000539425974 938858979 /nfs/dbraw/zinc/85/89/79/938858979.db2.gz ZTKHXULAHQOGCK-OAQYLSRUSA-N 1 0 400.567 4.215 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539491354 938867920 /nfs/dbraw/zinc/86/79/20/938867920.db2.gz QJZISTWVXJNPPC-KSFYIVLOSA-N 1 0 412.555 4.163 20 30 HIEDRO CC(C)[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)N1CCc2ccccc2C1 ZINC000539495654 938868533 /nfs/dbraw/zinc/86/85/33/938868533.db2.gz CJJSDMVAIYNKTH-HHHXNRCGSA-N 1 0 416.613 4.195 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cccc(OCC(F)(F)F)c3)CC2)cc1 ZINC000539498455 938868832 /nfs/dbraw/zinc/86/88/32/938868832.db2.gz HFBOWBAFNUCXBA-UHFFFAOYSA-N 1 0 403.448 4.254 20 30 HIEDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1cccc(C#N)c1 ZINC000539511461 938871026 /nfs/dbraw/zinc/87/10/26/938871026.db2.gz XKDVUZWSGKZNMA-OAHLLOKOSA-N 1 0 400.320 4.008 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000539583477 938883544 /nfs/dbraw/zinc/88/35/44/938883544.db2.gz SBQWLWHGQSQKAU-UHFFFAOYSA-N 1 0 405.258 4.238 20 30 HIEDRO N#CC1(c2ccc(C(=O)Nc3ccnn3[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000539666814 938897376 /nfs/dbraw/zinc/89/73/76/938897376.db2.gz SGXHBXIZPZKUCS-QFIPXVFZSA-N 1 0 411.509 4.138 20 30 HIEDRO Cc1nsc(N2CCC[N@H+](Cc3cccc(OCc4ccccc4C#N)c3)CC2)n1 ZINC000539820706 938944176 /nfs/dbraw/zinc/94/41/76/938944176.db2.gz PIQOBPKAXBUBOC-UHFFFAOYSA-N 1 0 419.554 4.010 20 30 HIEDRO N#CCCN(C(=O)C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21)c1cccc(Cl)c1 ZINC000539882143 938965279 /nfs/dbraw/zinc/96/52/79/938965279.db2.gz LKRXHYUPAUVMPA-HXUWFJFHSA-N 1 0 421.932 4.101 20 30 HIEDRO Cc1c[nH+]ccc1N1CCC(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000540198024 939122260 /nfs/dbraw/zinc/12/22/60/939122260.db2.gz AVXYZSISRFVPOF-UHFFFAOYSA-N 1 0 410.521 4.462 20 30 HIEDRO C[N@H+](CCc1cccc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)c1)C1CC1 ZINC000540331917 939197613 /nfs/dbraw/zinc/19/76/13/939197613.db2.gz SGTUAAHDLRRESI-UHFFFAOYSA-N 1 0 423.460 4.015 20 30 HIEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)c1ccccc1 ZINC000540459711 939260797 /nfs/dbraw/zinc/26/07/97/939260797.db2.gz XYXBHYZJWOJZJJ-QFIPXVFZSA-N 1 0 423.582 4.111 20 30 HIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c(C#N)c1C ZINC000540467392 939264613 /nfs/dbraw/zinc/26/46/13/939264613.db2.gz IWRNBJDCAWBXKP-UONOGXRCSA-N 1 0 409.465 4.079 20 30 HIEDRO CCCCOc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000540598452 939316078 /nfs/dbraw/zinc/31/60/78/939316078.db2.gz LOOQRDAWZKGDQS-UHFFFAOYSA-N 1 0 407.558 4.500 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@@]2(C)CCCO)c1C#N ZINC000540715964 939346744 /nfs/dbraw/zinc/34/67/44/939346744.db2.gz UYROYTUPYBVCCA-QHCPKHFHSA-N 1 0 400.567 4.047 20 30 HIEDRO Cc1cc(NC(=O)N(CCC#N)CCC[NH+](C)C)nn1-c1ccc(Cl)c(Cl)c1 ZINC000540831444 939388087 /nfs/dbraw/zinc/38/80/87/939388087.db2.gz WJXXGLBQBWUCSD-UHFFFAOYSA-N 1 0 423.348 4.187 20 30 HIEDRO COc1cc(Br)ccc1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000540978831 939423504 /nfs/dbraw/zinc/42/35/04/939423504.db2.gz QMZZPZBVESYARD-UHFFFAOYSA-N 1 0 416.319 4.204 20 30 HIEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000540980185 939424083 /nfs/dbraw/zinc/42/40/83/939424083.db2.gz IYFSSBCIDBTHKQ-GOSISDBHSA-N 1 0 424.524 4.003 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1 ZINC000541555337 939554568 /nfs/dbraw/zinc/55/45/68/939554568.db2.gz YGBYYASFQQFDNI-NRFANRHFSA-N 1 0 406.526 4.155 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)[C@H](C)C1CCCCC1 ZINC000541600763 939565513 /nfs/dbraw/zinc/56/55/13/939565513.db2.gz VFPLUXXMEIXJGQ-WMZOPIPTSA-N 1 0 402.583 4.146 20 30 HIEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000541654145 939589293 /nfs/dbraw/zinc/58/92/93/939589293.db2.gz FGFOBKLNYNXNES-AWEZNQCLSA-N 1 0 408.502 4.096 20 30 HIEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000541660041 939592099 /nfs/dbraw/zinc/59/20/99/939592099.db2.gz GIQFJJPYQAFICD-INIZCTEOSA-N 1 0 404.539 4.266 20 30 HIEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000541750536 939620350 /nfs/dbraw/zinc/62/03/50/939620350.db2.gz LBSDYMQKEWPNPO-QGZVFWFLSA-N 1 0 424.520 4.470 20 30 HIEDRO C[C@H]([NH2+]CC(=O)NCCc1ccc(F)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542011996 939684401 /nfs/dbraw/zinc/68/44/01/939684401.db2.gz KNVYFAQDDMITMN-SFHVURJKSA-N 1 0 401.485 4.374 20 30 HIEDRO C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542015552 939686734 /nfs/dbraw/zinc/68/67/34/939686734.db2.gz MYNAOSIKOWORLL-SFHVURJKSA-N 1 0 419.550 4.326 20 30 HIEDRO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000542144611 939729477 /nfs/dbraw/zinc/72/94/77/939729477.db2.gz ROKSNIOLYGPZJX-MYWSLZCHSA-N 1 0 412.921 4.304 20 30 HIEDRO N#CCc1ccc(C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000542254149 939773509 /nfs/dbraw/zinc/77/35/09/939773509.db2.gz PASNPHFZEOPZFN-FQEVSTJZSA-N 1 0 401.432 4.225 20 30 HIEDRO COc1cc(CN2CCC3(CCC[N@@H+]3C)CC2)ccc1OCc1cccc(C#N)c1 ZINC000542265189 939777736 /nfs/dbraw/zinc/77/77/36/939777736.db2.gz FLIHGXCPMTYKHK-UHFFFAOYSA-N 1 0 405.542 4.206 20 30 HIEDRO Cc1sc(NC(=O)C[N@@H+](C)[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(C#N)c1C ZINC000542629182 939850271 /nfs/dbraw/zinc/85/02/71/939850271.db2.gz XLUQASXVWOFGIL-MJGOQNOKSA-N 1 0 401.507 4.166 20 30 HIEDRO COc1cccc(COC[C@H](O)C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000542944688 939883505 /nfs/dbraw/zinc/88/35/05/939883505.db2.gz DFQDUDCIULPWNF-UQBPGWFLSA-N 1 0 416.521 4.462 20 30 HIEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000542957867 939885869 /nfs/dbraw/zinc/88/58/69/939885869.db2.gz VJKSERBOMWGEBW-UHFFFAOYSA-N 1 0 420.492 4.045 20 30 HIEDRO C[C@H](NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543016334 939895610 /nfs/dbraw/zinc/89/56/10/939895610.db2.gz IFRIZFGVDCZBKM-FPOVZHCZSA-N 1 0 402.542 4.414 20 30 HIEDRO N#Cc1cnn2c1NC[C@@H](C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccccc1Cl)C2 ZINC000563756478 945285788 /nfs/dbraw/zinc/28/57/88/945285788.db2.gz VWEWMOLVAWFDBW-VLIAUNLRSA-N 1 0 412.324 4.482 20 30 HIEDRO N#Cc1ccc(C2=CC[N@H+](C[C@@H](O)COc3ccccc3C(F)(F)F)CC2)cc1 ZINC000543197384 939992327 /nfs/dbraw/zinc/99/23/27/939992327.db2.gz JGOMCFNVTCOMBD-LJQANCHMSA-N 1 0 402.416 4.106 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000543459550 940069511 /nfs/dbraw/zinc/06/95/11/940069511.db2.gz VYNCXFWGTRKMER-FSSWDIPSSA-N 1 0 410.606 4.181 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+][C@@H](C)c2cnn(C(C)C)c2)c1C#N ZINC000543503584 940087859 /nfs/dbraw/zinc/08/78/59/940087859.db2.gz CXRZYOPXUXQNEX-KRWDZBQOSA-N 1 0 422.533 4.075 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC2(CCOCC2)[C@H]1C ZINC000543585053 940119526 /nfs/dbraw/zinc/11/95/26/940119526.db2.gz FFYLVUZYEYEIKY-JKSUJKDBSA-N 1 0 401.576 4.107 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(CC#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000543822513 940198728 /nfs/dbraw/zinc/19/87/28/940198728.db2.gz YEZFIRQEJDFUCB-LJQANCHMSA-N 1 0 410.484 4.424 20 30 HIEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)C1 ZINC000544025329 940303025 /nfs/dbraw/zinc/30/30/25/940303025.db2.gz KKSKGZQYMAASJT-PELKAZGASA-N 1 0 422.291 4.396 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc(Cc2ccccc2)cs1 ZINC000544269633 940374280 /nfs/dbraw/zinc/37/42/80/940374280.db2.gz XHUXNGSQBWKQHC-UHFFFAOYSA-N 1 0 419.554 4.201 20 30 HIEDRO COc1ccccc1C[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C(C)C ZINC000544461069 940441124 /nfs/dbraw/zinc/44/11/24/940441124.db2.gz GSRLFSWKTRDXOJ-GCJKJVERSA-N 1 0 411.521 4.326 20 30 HIEDRO Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)c3ccc(C#N)c(F)c3)nc12 ZINC000545520745 940572952 /nfs/dbraw/zinc/57/29/52/940572952.db2.gz RORKDHJPXXFXPP-CYBMUJFWSA-N 1 0 401.283 4.309 20 30 HIEDRO COc1cc(C#N)ccc1NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000546004922 940673226 /nfs/dbraw/zinc/67/32/26/940673226.db2.gz YOJMEPCVVIILDZ-KRWDZBQOSA-N 1 0 406.408 4.010 20 30 HIEDRO COc1cc(C#N)ccc1OCCCc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000546391061 940808696 /nfs/dbraw/zinc/80/86/96/940808696.db2.gz FONAGYUABWUJBT-UHFFFAOYSA-N 1 0 418.497 4.224 20 30 HIEDRO COc1ccc([C@@H](CCC#N)[NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)cc1 ZINC000547011405 940956090 /nfs/dbraw/zinc/95/60/90/940956090.db2.gz MMPASDVIINHNJG-HSZRJFAPSA-N 1 0 400.482 4.477 20 30 HIEDRO COc1ccc([C@H](CCC#N)[NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)cc1 ZINC000547011407 940956191 /nfs/dbraw/zinc/95/61/91/940956191.db2.gz MMPASDVIINHNJG-QHCPKHFHSA-N 1 0 400.482 4.477 20 30 HIEDRO C=CCNC(=O)c1cccc(-c2noc([C@@H]3CCC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000547064358 940980595 /nfs/dbraw/zinc/98/05/95/940980595.db2.gz KELLVTLTFRHDQR-OAQYLSRUSA-N 1 0 402.498 4.032 20 30 HIEDRO CC1CC[NH+]([C@@H](CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c2cccs2)CC1 ZINC000549053522 941149212 /nfs/dbraw/zinc/14/92/12/941149212.db2.gz YQICAURXIMRTJM-INIZCTEOSA-N 1 0 422.476 4.237 20 30 HIEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)c1ccc(C#N)cc1 ZINC000549161681 941167254 /nfs/dbraw/zinc/16/72/54/941167254.db2.gz GANWMUPYJLVAHZ-MLGOLLRUSA-N 1 0 409.711 4.065 20 30 HIEDRO C=C(C)Cn1c(CCCc2cccs2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000549246601 941173881 /nfs/dbraw/zinc/17/38/81/941173881.db2.gz NUSBDNJYEZGRRE-FQEVSTJZSA-N 1 0 413.635 4.403 20 30 HIEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000549249613 941174155 /nfs/dbraw/zinc/17/41/55/941174155.db2.gz GHHNZPNMBPBVHU-JTHBVZDNSA-N 1 0 416.573 4.340 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000549278347 941176325 /nfs/dbraw/zinc/17/63/25/941176325.db2.gz VGFFXQLITAMLLK-UHFFFAOYSA-N 1 0 405.493 4.089 20 30 HIEDRO CC1CC[NH+](Cc2ccc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cc2)CC1 ZINC000549405991 941186766 /nfs/dbraw/zinc/18/67/66/941186766.db2.gz UBNADRQBTGKHCT-UHFFFAOYSA-N 1 0 402.420 4.456 20 30 HIEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C1 ZINC000549580147 941200257 /nfs/dbraw/zinc/20/02/57/941200257.db2.gz UXVXRZYJTZAWSU-IBGZPJMESA-N 1 0 420.586 4.095 20 30 HIEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549665800 941203594 /nfs/dbraw/zinc/20/35/94/941203594.db2.gz WPXHYWARGONCJA-FQEVSTJZSA-N 1 0 402.546 4.134 20 30 HIEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000549690652 941204714 /nfs/dbraw/zinc/20/47/14/941204714.db2.gz IFBCUOQHXBKOKA-RTWAWAEBSA-N 1 0 408.594 4.315 20 30 HIEDRO N#Cc1ccccc1CSCC[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000549695296 941204886 /nfs/dbraw/zinc/20/48/86/941204886.db2.gz ZPJCYCVJRKFFQQ-UHFFFAOYSA-N 1 0 401.963 4.071 20 30 HIEDRO COc1ccc([C@H](CCC#N)[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000550939891 941383558 /nfs/dbraw/zinc/38/35/58/941383558.db2.gz VFKKMWICCJVNBX-FQEVSTJZSA-N 1 0 406.935 4.147 20 30 HIEDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000551411033 941472366 /nfs/dbraw/zinc/47/23/66/941472366.db2.gz MCPHZHWVABLAAJ-HNNXBMFYSA-N 1 0 411.445 4.081 20 30 HIEDRO N#Cc1ccc(OC(F)F)c(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)c1 ZINC000551412998 941473890 /nfs/dbraw/zinc/47/38/90/941473890.db2.gz DEGYYKPCHKBHGT-HNNXBMFYSA-N 1 0 420.485 4.255 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]CCc3cc(Br)ccc3F)CC2)cc1 ZINC000552044749 941573209 /nfs/dbraw/zinc/57/32/09/941573209.db2.gz LRFIWLIVMPWRJF-UHFFFAOYSA-N 1 0 402.311 4.261 20 30 HIEDRO C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)Oc1ccc(Br)cc1 ZINC000552045461 941573221 /nfs/dbraw/zinc/57/32/21/941573221.db2.gz HNGHCAPCNTVOJU-INIZCTEOSA-N 1 0 414.347 4.347 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](Cc3ccccc3)C(=O)Nc3ccccc3)CC2)cc1 ZINC000552047793 941573758 /nfs/dbraw/zinc/57/37/58/941573758.db2.gz YZVRFSGEMFTLEO-SANMLTNESA-N 1 0 424.548 4.367 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)[C@@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)CC2)cc1 ZINC000552125161 941589851 /nfs/dbraw/zinc/58/98/51/941589851.db2.gz LFCVRTAPPKALPM-QHCPKHFHSA-N 1 0 421.491 4.331 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 ZINC000552150133 941594125 /nfs/dbraw/zinc/59/41/25/941594125.db2.gz VGCLPYULQISISY-IBGZPJMESA-N 1 0 419.422 4.167 20 30 HIEDRO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000552276726 941621017 /nfs/dbraw/zinc/62/10/17/941621017.db2.gz HWJMLUOMLGLCFV-WOJBJXKFSA-N 1 0 417.431 4.299 20 30 HIEDRO COc1cccc(OC(F)(F)F)c1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000552337381 941637350 /nfs/dbraw/zinc/63/73/50/941637350.db2.gz RYVDESYPKJWDPQ-UHFFFAOYSA-N 1 0 405.420 4.224 20 30 HIEDRO CC(C)[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000552947060 941806493 /nfs/dbraw/zinc/80/64/93/941806493.db2.gz HOYWFUYJABRRCI-PZJWPPBQSA-N 1 0 406.448 4.498 20 30 HIEDRO CC[C@@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(C#N)cc3OC(F)F)ccc2NC1=O ZINC000553010239 941814798 /nfs/dbraw/zinc/81/47/98/941814798.db2.gz AADIYTUTHMVRLF-PXAZEXFGSA-N 1 0 401.413 4.120 20 30 HIEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1 ZINC000553312401 941865557 /nfs/dbraw/zinc/86/55/57/941865557.db2.gz FWQPZFAVMXMZNB-ILBGXUMGSA-N 1 0 422.475 4.344 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000553942996 942004306 /nfs/dbraw/zinc/00/43/06/942004306.db2.gz ILFAVHLDVGOOBL-CRAIPNDOSA-N 1 0 417.962 4.244 20 30 HIEDRO N#CC1(c2ccccn2)CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000554566006 942168581 /nfs/dbraw/zinc/16/85/81/942168581.db2.gz BICTZIJMSLERIL-UHFFFAOYSA-N 1 0 403.313 4.274 20 30 HIEDRO C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000554626625 942178630 /nfs/dbraw/zinc/17/86/30/942178630.db2.gz WHFYHRKEUQHTCA-UHFFFAOYSA-N 1 0 420.561 4.343 20 30 HIEDRO C[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C[NH+]1CCCC1 ZINC000554843725 942281479 /nfs/dbraw/zinc/28/14/79/942281479.db2.gz LQABLWSKEWOIRA-LJQANCHMSA-N 1 0 408.521 4.141 20 30 HIEDRO Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000554920063 942319556 /nfs/dbraw/zinc/31/95/56/942319556.db2.gz VYCQUVUUCMTTOQ-UHFFFAOYSA-N 1 0 401.514 4.236 20 30 HIEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000554931232 942323488 /nfs/dbraw/zinc/32/34/88/942323488.db2.gz ZTFJOODYSPROFY-FQEVSTJZSA-N 1 0 412.541 4.104 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000555237833 942440444 /nfs/dbraw/zinc/44/04/44/942440444.db2.gz QUSJREQMTRHMMT-UWHLTILDSA-N 1 0 401.599 4.043 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000555241100 942442286 /nfs/dbraw/zinc/44/22/86/942442286.db2.gz YLXNLUHDNBWREC-QFIPXVFZSA-N 1 0 416.573 4.183 20 30 HIEDRO C[C@@H](c1ccccc1F)N1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1=O ZINC000555608330 942666952 /nfs/dbraw/zinc/66/69/52/942666952.db2.gz FTHIGPVGQBVFPY-MHECFPHRSA-N 1 0 420.532 4.008 20 30 HIEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000555618106 942671421 /nfs/dbraw/zinc/67/14/21/942671421.db2.gz IQFIVFLANZRSMI-UHFFFAOYSA-N 1 0 420.460 4.082 20 30 HIEDRO C[C@H]([NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1)C(=O)Nc1ccccc1C#N ZINC000555696727 942704337 /nfs/dbraw/zinc/70/43/37/942704337.db2.gz DGXXMPDVVQBYGE-HNNXBMFYSA-N 1 0 415.896 4.059 20 30 HIEDRO C=CCC[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccco1 ZINC000556870756 942945695 /nfs/dbraw/zinc/94/56/95/942945695.db2.gz QIQRUOXGCKPHTQ-SFHVURJKSA-N 1 0 408.589 4.355 20 30 HIEDRO COc1ccc(C[C@H]([NH2+]CCn2cnc(C#N)n2)c2cc(Cl)ccc2Cl)cc1 ZINC000556925025 942968599 /nfs/dbraw/zinc/96/85/99/942968599.db2.gz XZYISIRPXLZACO-IBGZPJMESA-N 1 0 416.312 4.039 20 30 HIEDRO CC(C)(CO)[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1cccnc1 ZINC000556926101 942969364 /nfs/dbraw/zinc/96/93/64/942969364.db2.gz XFIHSVDCFSPQQS-DEOSSOPVSA-N 1 0 401.510 4.382 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)cc1OC ZINC000556926930 942969415 /nfs/dbraw/zinc/96/94/15/942969415.db2.gz HVGHZKMDQZAOMS-QGZVFWFLSA-N 1 0 423.395 4.330 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)cc1 ZINC000557027458 942998295 /nfs/dbraw/zinc/99/82/95/942998295.db2.gz GNNXEPMMDGKXJQ-UHFFFAOYSA-N 1 0 418.453 4.207 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCn3cccc3[C@H]2c2ccccc2)cc1Cl ZINC000557224221 943055856 /nfs/dbraw/zinc/05/58/56/943055856.db2.gz FOKVDRSLPYTORC-HSZRJFAPSA-N 1 0 404.901 4.447 20 30 HIEDRO COc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)c(C)c1OC ZINC000558156393 943398990 /nfs/dbraw/zinc/39/89/90/943398990.db2.gz NDIWYUDOFPHUBX-INIZCTEOSA-N 1 0 415.921 4.263 20 30 HIEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000558448027 943561159 /nfs/dbraw/zinc/56/11/59/943561159.db2.gz ORXDGKFLOXOFGP-BLKABHOGSA-N 1 0 409.578 4.223 20 30 HIEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000558448028 943561283 /nfs/dbraw/zinc/56/12/83/943561283.db2.gz ORXDGKFLOXOFGP-SEIRJHJZSA-N 1 0 409.578 4.223 20 30 HIEDRO CN1CC[C@H]([NH2+]Cc2ccc(Br)cc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000558466654 943566403 /nfs/dbraw/zinc/56/64/03/943566403.db2.gz PBMPVRNYKITUHV-RBUKOAKNSA-N 1 0 406.274 4.134 20 30 HIEDRO Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(C[N@H+]4CCCC[C@H]4C)cc3)CC2)o1 ZINC000558977748 943781250 /nfs/dbraw/zinc/78/12/50/943781250.db2.gz FERQEQSMUDVAFC-QGZVFWFLSA-N 1 0 421.545 4.084 20 30 HIEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@H]1c1ccccc1 ZINC000559687422 944029791 /nfs/dbraw/zinc/02/97/91/944029791.db2.gz YJNAUIDEXDKJGX-NHCUHLMSSA-N 1 0 417.538 4.172 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CCOC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000560055042 944142822 /nfs/dbraw/zinc/14/28/22/944142822.db2.gz DLRYGYAOPOQGQC-LJQANCHMSA-N 1 0 414.377 4.411 20 30 HIEDRO COc1ccc([C@H](C[NH+](C)C)NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 ZINC000560246565 944206115 /nfs/dbraw/zinc/20/61/15/944206115.db2.gz STYQRKLFHOLQBS-DEOSSOPVSA-N 1 0 415.493 4.392 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]CCOc3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000560546452 944249573 /nfs/dbraw/zinc/24/95/73/944249573.db2.gz STENCYVUOFEXKJ-UHFFFAOYSA-N 1 0 424.854 4.263 20 30 HIEDRO N#Cc1cc(F)cc(C2(C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)CC2)c1 ZINC000560579327 944261481 /nfs/dbraw/zinc/26/14/81/944261481.db2.gz GHYNVJDSOMCXBI-XUZZJYLKSA-N 1 0 417.528 4.242 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000561241831 944525559 /nfs/dbraw/zinc/52/55/59/944525559.db2.gz ZAUZFADYQPRXQQ-UHFFFAOYSA-N 1 0 412.603 4.231 20 30 HIEDRO C[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC[N@@H+](C2CCC2)C1 ZINC000561535994 944661019 /nfs/dbraw/zinc/66/10/19/944661019.db2.gz OABQSHHRQKPYFF-QGZVFWFLSA-N 1 0 407.489 4.436 20 30 HIEDRO C=CCOc1ccc(CNC(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000561877845 944833280 /nfs/dbraw/zinc/83/32/80/944833280.db2.gz SEAYCQOCYJKTPP-HSZRJFAPSA-N 1 0 407.558 4.305 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H](CCO)c2ccc(Cl)cc2)sc2c1CCCC2 ZINC000561917883 944855562 /nfs/dbraw/zinc/85/55/62/944855562.db2.gz OXAWURXUCICIOE-SFHVURJKSA-N 1 0 417.962 4.194 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000562046588 944909620 /nfs/dbraw/zinc/90/96/20/944909620.db2.gz JAXILJLLMLGKKJ-BUKVSMQUSA-N 1 0 422.598 4.251 20 30 HIEDRO CC[C@H]([NH2+][C@H]1CCc2ccc(C#N)cc21)c1ccccc1OCC(=O)N1CCCC1 ZINC000564382417 945544768 /nfs/dbraw/zinc/54/47/68/945544768.db2.gz SRDTZBKAGDCZEP-GOTSBHOMSA-N 1 0 403.526 4.288 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000564395090 945552776 /nfs/dbraw/zinc/55/27/76/945552776.db2.gz IOYPUNJLFHSYPE-VWNXMTODSA-N 1 0 424.976 4.239 20 30 HIEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000566374215 946012201 /nfs/dbraw/zinc/01/22/01/946012201.db2.gz UMUBVEZORNRPAI-YVNJGZBMSA-N 1 0 409.578 4.051 20 30 HIEDRO C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000566702156 946075338 /nfs/dbraw/zinc/07/53/38/946075338.db2.gz XKBHJNJDROCAPO-ZWKOTPCHSA-N 1 0 405.498 4.019 20 30 HIEDRO CC(C)([C@@H](NC(=O)Cc1c(F)cccc1C#N)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000567415720 946331380 /nfs/dbraw/zinc/33/13/80/946331380.db2.gz NYCRZRFSKXUEQA-QFIPXVFZSA-N 1 0 415.459 4.250 20 30 HIEDRO Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@@H](O)COc3ccc(CC#N)cc3)cc2)cs1 ZINC000568307896 946497622 /nfs/dbraw/zinc/49/76/22/946497622.db2.gz DEOYWNJATWUQLU-IIBYNOLFSA-N 1 0 407.539 4.275 20 30 HIEDRO CC1([N@H+](CCC(=O)Nc2ccccc2C#N)Cc2ccc3c(c2)OCO3)CCCC1 ZINC000568425723 946539199 /nfs/dbraw/zinc/53/91/99/946539199.db2.gz UNHYNZPINWWNEM-UHFFFAOYSA-N 1 0 405.498 4.450 20 30 HIEDRO CCC[N@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)Cc1ccc(C#N)cc1 ZINC000568538972 946580829 /nfs/dbraw/zinc/58/08/29/946580829.db2.gz OAGVDEWVUYBYFD-UHFFFAOYSA-N 1 0 407.411 4.245 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000568536825 946580964 /nfs/dbraw/zinc/58/09/64/946580964.db2.gz WDVJZNDUVVBKFZ-UNMCSNQZSA-N 1 0 418.589 4.484 20 30 HIEDRO C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000569674795 946937101 /nfs/dbraw/zinc/93/71/01/946937101.db2.gz LEHYZBWJRBSFME-OYRHEFFESA-N 1 0 423.605 4.155 20 30 HIEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000569970373 947057135 /nfs/dbraw/zinc/05/71/35/947057135.db2.gz MKFQUZFGLKCTFX-GOTSBHOMSA-N 1 0 421.589 4.164 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 ZINC000570811210 947360385 /nfs/dbraw/zinc/36/03/85/947360385.db2.gz XCDUXOXKXXKSME-HNNXBMFYSA-N 1 0 416.447 4.276 20 30 HIEDRO C[C@H](C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000572646766 947965503 /nfs/dbraw/zinc/96/55/03/947965503.db2.gz KABZIVCAKDJMJD-FOIQADDNSA-N 1 0 401.432 4.071 20 30 HIEDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1[N+](=O)[O-] ZINC000573396054 948181966 /nfs/dbraw/zinc/18/19/66/948181966.db2.gz ZQAJWWZEENGGBU-CQSZACIVSA-N 1 0 412.515 4.395 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000573591673 948244867 /nfs/dbraw/zinc/24/48/67/948244867.db2.gz SSJHMJIWESIUCD-QHCPKHFHSA-N 1 0 409.578 4.389 20 30 HIEDRO CC[C@H]([NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)c1ccc(C#N)cc1 ZINC000573909701 948326213 /nfs/dbraw/zinc/32/62/13/948326213.db2.gz UIIZENLYOVPBPM-QHCPKHFHSA-N 1 0 411.571 4.062 20 30 HIEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000575028911 948577122 /nfs/dbraw/zinc/57/71/22/948577122.db2.gz SNYRDHVBCKVLAJ-NIRIFSCTSA-N 1 0 421.589 4.054 20 30 HIEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164722409 720482298 /nfs/dbraw/zinc/48/22/98/720482298.db2.gz AFQXPHILTMTKGB-UXHICEINSA-N 1 0 407.880 4.147 20 30 HIEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc(C3(C#N)CCC3)cn1)CC2 ZINC001164841094 720690586 /nfs/dbraw/zinc/69/05/86/720690586.db2.gz HTDNQQXICPJQIJ-HSZRJFAPSA-N 1 0 416.569 4.287 20 30 HIEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc3c(cc1C#N)CCCC3)CC2 ZINC001164838196 720712171 /nfs/dbraw/zinc/71/21/71/720712171.db2.gz HCYDWNIFROQEQO-QHCPKHFHSA-N 1 0 416.569 4.092 20 30 HIEDRO Cc1nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(Cl)cc1C#N ZINC001164836993 720727625 /nfs/dbraw/zinc/72/76/25/720727625.db2.gz CMWCEGFWFVLNQX-FQEVSTJZSA-N 1 0 410.949 4.175 20 30 HIEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909890 721551413 /nfs/dbraw/zinc/55/14/13/721551413.db2.gz VDLGEOZVZMWZSK-AEFFLSMTSA-N 1 0 422.891 4.241 20 30 HIEDRO CC(C)c1ccc(C#N)c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164908487 721586339 /nfs/dbraw/zinc/58/63/39/721586339.db2.gz ZLBMNJWSQLFKQI-JOCHJYFZSA-N 1 0 411.500 4.209 20 30 HIEDRO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2c1ncc(C#N)c2sc(-c3ccccc3)cc21 ZINC001164921019 721866258 /nfs/dbraw/zinc/86/62/58/721866258.db2.gz BVOXBDWNYITFJJ-LEWJYISDSA-N 1 0 417.582 4.050 20 30 HIEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 ZINC000436147872 861446762 /nfs/dbraw/zinc/44/67/62/861446762.db2.gz DNTWFQZYJFYBOV-UPVQGACJSA-N 1 0 417.557 4.051 20 30 HIEDRO Cc1oc(C#N)cc1C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000436162699 861463778 /nfs/dbraw/zinc/46/37/78/861463778.db2.gz TXBOKEUTXPLRLA-UHFFFAOYSA-N 1 0 414.509 4.077 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1F ZINC000436310610 861616195 /nfs/dbraw/zinc/61/61/95/861616195.db2.gz RSBOQRSEJQIIST-SSKFGXFMSA-N 1 0 421.509 4.029 20 30 HIEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)cc2)CC1 ZINC000436342679 861654154 /nfs/dbraw/zinc/65/41/54/861654154.db2.gz VCXJMVUYVUOBPE-JWQCQUIFSA-N 1 0 416.569 4.129 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=S)Nc3ccc(OC(F)F)cc3)CC2)cc1 ZINC000017517670 846255654 /nfs/dbraw/zinc/25/56/54/846255654.db2.gz IIJTWNXYCNXFKE-UHFFFAOYSA-N 1 0 416.497 4.064 20 30 HIEDRO COc1cccc(NC(=S)C(C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2cccc(C)c2)c1 ZINC000020887833 846392417 /nfs/dbraw/zinc/39/24/17/846392417.db2.gz ZZAPIVMRASSDKM-UHFFFAOYSA-O 1 0 422.486 4.250 20 30 HIEDRO Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406121 846439166 /nfs/dbraw/zinc/43/91/66/846439166.db2.gz DLJZQAZKNBNCFR-GOSISDBHSA-N 1 0 410.949 4.055 20 30 HIEDRO C=CCc1cc(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)cc(OC)c1OC ZINC000022680507 846602639 /nfs/dbraw/zinc/60/26/39/846602639.db2.gz ANDYZHHHOWCYFI-NRFANRHFSA-N 1 0 424.541 4.008 20 30 HIEDRO CCNC(=S)C(C(=O)c1cc(C)n(C)c1C)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022686588 846603086 /nfs/dbraw/zinc/60/30/86/846603086.db2.gz KHMUYKQSGSJBFM-UHFFFAOYSA-O 1 0 406.575 4.069 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1ccccc1)C(=S)NCc1ccc(OC)cc1 ZINC000022692583 846605319 /nfs/dbraw/zinc/60/53/19/846605319.db2.gz GLJOICLTRNUWLE-UHFFFAOYSA-O 1 0 405.543 4.274 20 30 HIEDRO CC(C)c1ccc(C(=O)C(C(=S)NCc2ccccc2)[n+]2cccc(CO)c2)cc1 ZINC000022730778 846610396 /nfs/dbraw/zinc/61/03/96/846610396.db2.gz UQCFXIJGQABUPI-UHFFFAOYSA-O 1 0 419.570 4.318 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000436365377 861699096 /nfs/dbraw/zinc/69/90/96/861699096.db2.gz PFQPDDMZZGDOEC-HSZRJFAPSA-N 1 0 424.589 4.419 20 30 HIEDRO CCCNC(=S)C(C(=O)c1cccc(Br)c1)[n+]1ccc(CC)cc1 ZINC000022804038 846622442 /nfs/dbraw/zinc/62/24/42/846622442.db2.gz YAEJZCZWENXCQO-UHFFFAOYSA-O 1 0 406.369 4.237 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1cc(F)ccc1F)[n+]1ccc2c(c1)CCCC2 ZINC000022797436 846622622 /nfs/dbraw/zinc/62/26/22/846622622.db2.gz JPHADRLDJDZWFU-UHFFFAOYSA-O 1 0 401.502 4.236 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccccc2Cl)[n+]2cccc(CO)c2)c(C)[nH]1 ZINC000023603965 846727051 /nfs/dbraw/zinc/72/70/51/846727051.db2.gz FWKXSIXPUKVDOL-UHFFFAOYSA-O 1 0 414.938 4.116 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccc3c(c2)OCCO3)[n+]2cccc(C)c2)c(C)[nH]1 ZINC000023604715 846727430 /nfs/dbraw/zinc/72/74/30/846727430.db2.gz NNMKPAZCBZSKKO-UHFFFAOYSA-O 1 0 422.530 4.050 20 30 HIEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccc(Br)cc2)c(OC)c1 ZINC000025661565 847016575 /nfs/dbraw/zinc/01/65/75/847016575.db2.gz KMCHZBIIABGYCZ-KXBFYZLASA-N 1 0 420.347 4.277 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000026311344 847122907 /nfs/dbraw/zinc/12/29/07/847122907.db2.gz OHJRFHWCDPGXCQ-SFHVURJKSA-N 1 0 402.560 4.133 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)c1C#N ZINC000027389176 847295335 /nfs/dbraw/zinc/29/53/35/847295335.db2.gz NKNOVBWRIWTVIF-UHFFFAOYSA-N 1 0 420.582 4.209 20 30 HIEDRO CN(C)c1cc[n+](C(C(=O)c2ccc(F)cc2)C(=S)NC2CCCCC2)cc1 ZINC000027461289 847307363 /nfs/dbraw/zinc/30/73/63/847307363.db2.gz GVRKBABNHSPSCN-UHFFFAOYSA-O 1 0 400.543 4.040 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000028804148 847462881 /nfs/dbraw/zinc/46/28/81/847462881.db2.gz UBOBHUWNZDITAQ-HMHJJOSWSA-N 1 0 402.542 4.332 20 30 HIEDRO N#Cc1ccc(CCC(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000028886635 847471575 /nfs/dbraw/zinc/47/15/75/847471575.db2.gz DOAZQRDHSNXKAE-UHFFFAOYSA-N 1 0 415.459 4.244 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1 ZINC000028961021 847484371 /nfs/dbraw/zinc/48/43/71/847484371.db2.gz QKVUQZSEBMRIIY-UHFFFAOYSA-N 1 0 424.548 4.372 20 30 HIEDRO N#Cc1c(F)cccc1N1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000029858907 847635762 /nfs/dbraw/zinc/63/57/62/847635762.db2.gz UYULPXPCIAKLRV-UHFFFAOYSA-N 1 0 402.473 4.001 20 30 HIEDRO Cc1nc2ccc(NC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc2s1 ZINC000043375752 848414811 /nfs/dbraw/zinc/41/48/11/848414811.db2.gz PAUFIIPZQSUCPH-UHFFFAOYSA-N 1 0 405.527 4.216 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000045233710 848649699 /nfs/dbraw/zinc/64/96/99/848649699.db2.gz XQOZWOCHCPBUSD-FQEVSTJZSA-N 1 0 412.534 4.008 20 30 HIEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000045625724 848704655 /nfs/dbraw/zinc/70/46/55/848704655.db2.gz JSTCYNMYTVBCTR-INIZCTEOSA-N 1 0 418.463 4.411 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000045786259 848727321 /nfs/dbraw/zinc/72/73/21/848727321.db2.gz FCLMFTLYZJVGSE-OALUTQOASA-N 1 0 413.587 4.255 20 30 HIEDRO COc1ccc([C@@H](CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000047794008 849113525 /nfs/dbraw/zinc/11/35/25/849113525.db2.gz XVARVIUCCJAPIC-FDDCHVKYSA-N 1 0 406.530 4.154 20 30 HIEDRO C[C@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C[NH+]1CCCCC1 ZINC000048126305 849173361 /nfs/dbraw/zinc/17/33/61/849173361.db2.gz PYLNPPBLYGTDGT-GOSISDBHSA-N 1 0 419.529 4.054 20 30 HIEDRO Cc1[nH]c2ccccc2c1C1CC[NH+](C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000051473347 849472783 /nfs/dbraw/zinc/47/27/83/849472783.db2.gz GZDFYVWOGJKSDC-NRFANRHFSA-N 1 0 403.526 4.162 20 30 HIEDRO Cc1[nH]c2ccccc2c1C1CC[NH+](C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000051473348 849473352 /nfs/dbraw/zinc/47/33/52/849473352.db2.gz GZDFYVWOGJKSDC-OAQYLSRUSA-N 1 0 403.526 4.162 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cn2cc(Cl)ccc2n1 ZINC000052485704 849586886 /nfs/dbraw/zinc/58/68/86/849586886.db2.gz HMQQFBKTEFVWQO-UHFFFAOYSA-N 1 0 416.982 4.086 20 30 HIEDRO N#Cc1ccccc1OCc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)o1 ZINC000052590939 849600536 /nfs/dbraw/zinc/60/05/36/849600536.db2.gz ZYSOOJCDOMQPRI-UHFFFAOYSA-N 1 0 415.493 4.256 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713794 849617490 /nfs/dbraw/zinc/61/74/90/849617490.db2.gz MOEZYXLKQNDQKC-KRWDZBQOSA-N 1 0 414.619 4.023 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000056144419 850253892 /nfs/dbraw/zinc/25/38/92/850253892.db2.gz ADQLWPGVPKWQFY-QZTJIDSGSA-N 1 0 400.482 4.210 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(OCc2ccccn2)c1)C(=O)Nc1ccccc1C#N ZINC000056201372 850282425 /nfs/dbraw/zinc/28/24/25/850282425.db2.gz SSMMWYIEFLWQSM-QZTJIDSGSA-N 1 0 400.482 4.210 20 30 HIEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1C(F)(F)F ZINC000056853652 850504012 /nfs/dbraw/zinc/50/40/12/850504012.db2.gz MAPBQYJPJICQTI-MRXNPFEDSA-N 1 0 418.463 4.411 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC3(N4CCOCC4)CCCCC3)c2)c1 ZINC000060959072 851259093 /nfs/dbraw/zinc/25/90/93/851259093.db2.gz MFCSWHWETCUSSA-UHFFFAOYSA-N 1 0 419.569 4.262 20 30 HIEDRO C=CC[N@@H+](CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)Cc1cccc(C#N)c1 ZINC000063300268 851654914 /nfs/dbraw/zinc/65/49/14/851654914.db2.gz ZDXFZDGOTYWPAW-UHFFFAOYSA-N 1 0 413.525 4.378 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000063400886 851678929 /nfs/dbraw/zinc/67/89/29/851678929.db2.gz RZWPIHZSCPSCQQ-UHFFFAOYSA-N 1 0 402.542 4.442 20 30 HIEDRO Cc1cccc(C(C)(C)CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000063409054 851682012 /nfs/dbraw/zinc/68/20/12/851682012.db2.gz SQBUCGGLUCUXTN-UHFFFAOYSA-N 1 0 404.558 4.062 20 30 HIEDRO CC(C)[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)Cc1ccc(C#N)cc1 ZINC000063750548 851754653 /nfs/dbraw/zinc/75/46/53/851754653.db2.gz FCCOPIKTWYACAO-UHFFFAOYSA-N 1 0 420.376 4.251 20 30 HIEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)CC1 ZINC000063777166 851760660 /nfs/dbraw/zinc/76/06/60/851760660.db2.gz YPIPETMFUWPFPU-UHFFFAOYSA-N 1 0 405.546 4.143 20 30 HIEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cccc(C#N)c2)CC1 ZINC000064448053 851900373 /nfs/dbraw/zinc/90/03/73/851900373.db2.gz ZCDXELYYZOMREA-UHFFFAOYSA-N 1 0 401.432 4.314 20 30 HIEDRO Cn1ccc([C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)c2ccc(Cl)cc2)n1 ZINC000437107263 862296521 /nfs/dbraw/zinc/29/65/21/862296521.db2.gz OZFUQRVTEBCUFC-QETWGEEDSA-N 1 0 421.932 4.409 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1c(Cl)cccc1Cl ZINC000065518696 852165215 /nfs/dbraw/zinc/16/52/15/852165215.db2.gz DQKMFGJLMYUZQZ-UHFFFAOYSA-N 1 0 419.356 4.181 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CSCc1ccc(Cl)cc1 ZINC000065930001 852320706 /nfs/dbraw/zinc/32/07/06/852320706.db2.gz YQBJTFAXCWUWDQ-UHFFFAOYSA-N 1 0 401.963 4.035 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCC(=O)c1ccc2ccccc2c1 ZINC000065930998 852322072 /nfs/dbraw/zinc/32/20/72/852322072.db2.gz QTMGKXJNXRTNDR-UHFFFAOYSA-N 1 0 413.521 4.265 20 30 HIEDRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065930978 852322693 /nfs/dbraw/zinc/32/26/93/852322693.db2.gz PICYLISFJMSCNN-UHFFFAOYSA-N 1 0 422.529 4.333 20 30 HIEDRO COc1ccc(OC)c(CC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000065934011 852323188 /nfs/dbraw/zinc/32/31/88/852323188.db2.gz YXFZHRKMSZRBGH-UHFFFAOYSA-N 1 0 402.494 4.487 20 30 HIEDRO CN(c1ccccc1)C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000065957101 852332844 /nfs/dbraw/zinc/33/28/44/852332844.db2.gz BESDSJDDHZEMKW-UHFFFAOYSA-N 1 0 422.598 4.428 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)Cc1csc(Br)c1)C(C)C ZINC000066002226 852351336 /nfs/dbraw/zinc/35/13/36/852351336.db2.gz LRGRZCLRGRSOCT-MRXNPFEDSA-N 1 0 414.413 4.351 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCOc3ccc(Cl)cc3)CC2)cc1 ZINC000108055271 852819838 /nfs/dbraw/zinc/81/98/38/852819838.db2.gz KLITZXHUKXTAKZ-UHFFFAOYSA-N 1 0 411.933 4.105 20 30 HIEDRO CCc1cccc(CC)c1NC(=O)CON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000109391317 852963044 /nfs/dbraw/zinc/96/30/44/852963044.db2.gz DTTGPDVNUWCUKS-UHFFFAOYSA-N 1 0 422.573 4.073 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Sc2ccccn2)cc1 ZINC000109700211 853001627 /nfs/dbraw/zinc/00/16/27/853001627.db2.gz VGSXOHFTWOVQAY-UHFFFAOYSA-N 1 0 416.550 4.308 20 30 HIEDRO CC[N@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000111045741 853193320 /nfs/dbraw/zinc/19/33/20/853193320.db2.gz NPZOYMYISYZCDP-JTSKRJEESA-N 1 0 404.539 4.303 20 30 HIEDRO CCN(C(=O)CSCc1ccc(C#N)cc1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000115990103 853276776 /nfs/dbraw/zinc/27/67/76/853276776.db2.gz RLTSVKVGMLJSAV-WMZHIEFXSA-N 1 0 407.583 4.475 20 30 HIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000139936853 853426928 /nfs/dbraw/zinc/42/69/28/853426928.db2.gz ZYEZDMCRMYEKKG-GCJKJVERSA-N 1 0 411.571 4.052 20 30 HIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)cc1OCCCC#N ZINC000147196503 853584165 /nfs/dbraw/zinc/58/41/65/853584165.db2.gz JFDMHONGGJCHPZ-GOSISDBHSA-N 1 0 407.514 4.355 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCC[NH+]2CCCCCC2)cc1C ZINC000149931513 853634899 /nfs/dbraw/zinc/63/48/99/853634899.db2.gz NVTHRJODXBQVMY-UHFFFAOYSA-N 1 0 407.562 4.077 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C(=S)N[C@@H](C)CC)cc1 ZINC000154528569 853644823 /nfs/dbraw/zinc/64/48/23/853644823.db2.gz SPWJHYUXCAFCKE-HNNXBMFYSA-O 1 0 400.524 4.080 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(C(F)(F)F)c1 ZINC000195720220 853777687 /nfs/dbraw/zinc/77/76/87/853777687.db2.gz UYYKSJWZGYXHTA-UHFFFAOYSA-N 1 0 408.399 4.312 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1F ZINC000216027489 853843402 /nfs/dbraw/zinc/84/34/02/853843402.db2.gz IWCSXRCYQUBHNJ-CYBMUJFWSA-N 1 0 401.507 4.326 20 30 HIEDRO N#CC(CCN1CCN(C(=O)c2cccs2)CC1)(c1ccccc1)c1ccccc1 ZINC000216716812 853857778 /nfs/dbraw/zinc/85/77/78/853857778.db2.gz OZIBKEGRQZRQIA-UHFFFAOYSA-N 1 0 415.562 4.406 20 30 HIEDRO COc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc1F ZINC000217146754 853860510 /nfs/dbraw/zinc/86/05/10/853860510.db2.gz CYTFKMLOGXTBCX-HNNXBMFYSA-N 1 0 403.885 4.394 20 30 HIEDRO COc1ccccc1N1CC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000237114420 853966267 /nfs/dbraw/zinc/96/62/67/853966267.db2.gz WSTCZLNQBUPSRX-FQEVSTJZSA-N 1 0 415.541 4.088 20 30 HIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)cc1OC ZINC000237454900 854035674 /nfs/dbraw/zinc/03/56/74/854035674.db2.gz MHXNANYXXMFKGN-NRFANRHFSA-N 1 0 416.949 4.077 20 30 HIEDRO COc1cccc(N2CCC[C@@H]([NH2+]Cc3ccc(OC)c(OCCCC#N)c3)C2)c1 ZINC000237452082 854036303 /nfs/dbraw/zinc/03/63/03/854036303.db2.gz SVQJWRIRJVOZMX-HXUWFJFHSA-N 1 0 409.530 4.145 20 30 HIEDRO COc1ccc(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)cc1OCCCC#N ZINC000237455892 854037005 /nfs/dbraw/zinc/03/70/05/854037005.db2.gz DABPQVJVEVCTQP-UHFFFAOYSA-N 1 0 404.514 4.470 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(-n4cnc5ccccc54)cc3)CC2)nc1 ZINC000237856707 854109366 /nfs/dbraw/zinc/10/93/66/854109366.db2.gz BVKKXBAOQLZELK-UHFFFAOYSA-N 1 0 408.509 4.051 20 30 HIEDRO N#Cc1ccc2ncc(C[NH2+]Cc3ccccc3-c3ccc(Cn4ccnc4)cc3)n2c1 ZINC000237857008 854109530 /nfs/dbraw/zinc/10/95/30/854109530.db2.gz HACVIEAXLOXASY-UHFFFAOYSA-N 1 0 418.504 4.408 20 30 HIEDRO N#Cc1cc(NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000301411026 854386567 /nfs/dbraw/zinc/38/65/67/854386567.db2.gz PAICDSFCIICNHY-HNNXBMFYSA-N 1 0 407.499 4.400 20 30 HIEDRO N#Cc1cc(N2CCC[N@H+](CCCc3ccccc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301442015 854394909 /nfs/dbraw/zinc/39/49/09/854394909.db2.gz YFLLOHACUZDFRC-UHFFFAOYSA-N 1 0 415.497 4.160 20 30 HIEDRO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000301659588 854438691 /nfs/dbraw/zinc/43/86/91/854438691.db2.gz CBWXRTUCFMRPAL-RBUKOAKNSA-N 1 0 400.448 4.463 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301680879 854443592 /nfs/dbraw/zinc/44/35/92/854443592.db2.gz SSXPFYLEEIQHKH-QGZVFWFLSA-N 1 0 407.518 4.496 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNc2nccc(C#N)c2[N+](=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000301693237 854446323 /nfs/dbraw/zinc/44/63/23/854446323.db2.gz ZNQSMSZOMDKFSL-DOTOQJQBSA-N 1 0 419.407 4.375 20 30 HIEDRO N#Cc1cnc2ccc(Cl)cc2c1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000301751563 854458745 /nfs/dbraw/zinc/45/87/45/854458745.db2.gz IRXRYIVDSOFORF-UHFFFAOYSA-N 1 0 406.917 4.329 20 30 HIEDRO N#Cc1cc(N2CCc3c(ncn3CCc3ccccc3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000302121312 854533280 /nfs/dbraw/zinc/53/32/80/854533280.db2.gz DOKPNUPEDNFRMC-UHFFFAOYSA-N 1 0 424.464 4.017 20 30 HIEDRO COc1ccc([C@H](CNc2ccc(C#N)cc2Br)[NH+](C)C)cc1OC ZINC000302601020 854590676 /nfs/dbraw/zinc/59/06/76/854590676.db2.gz YIYFRLZOSYXVJN-KRWDZBQOSA-N 1 0 404.308 4.053 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1F ZINC000302764166 854625763 /nfs/dbraw/zinc/62/57/63/854625763.db2.gz SSDREDQTCCFVFR-CYBMUJFWSA-N 1 0 401.507 4.326 20 30 HIEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc2c(c1)OCO2 ZINC000302809154 854641921 /nfs/dbraw/zinc/64/19/21/854641921.db2.gz SWYKLUPUXHADSQ-UHFFFAOYSA-N 1 0 411.527 4.078 20 30 HIEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)CSc2ccc(C#N)cc2)C1 ZINC000303217553 854821672 /nfs/dbraw/zinc/82/16/72/854821672.db2.gz UFKDIZJJMAEZMP-OALUTQOASA-N 1 0 407.583 4.445 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)CC1 ZINC000303244287 854832792 /nfs/dbraw/zinc/83/27/92/854832792.db2.gz DCAWCAYCOIMGBK-UHFFFAOYSA-N 1 0 409.559 4.121 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(-c2ccc(Br)cc2)s1 ZINC000303246622 854833815 /nfs/dbraw/zinc/83/38/15/854833815.db2.gz LWOBRAWKJCBNGA-UHFFFAOYSA-N 1 0 420.376 4.485 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2ccc(OCC)c(OCC)c2)C(C)C)CC1 ZINC000303303842 854862113 /nfs/dbraw/zinc/86/21/13/854862113.db2.gz NIZUXBIMRAFANI-JOCHJYFZSA-N 1 0 403.567 4.131 20 30 HIEDRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCCC#N)[NH+](C)C ZINC000303435901 854936610 /nfs/dbraw/zinc/93/66/10/854936610.db2.gz DKKVDXQGQFZTMN-SFHVURJKSA-N 1 0 420.406 4.015 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000303533822 855019579 /nfs/dbraw/zinc/01/95/79/855019579.db2.gz FGDSRRARSVGSLL-RTWAWAEBSA-N 1 0 406.574 4.324 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000303533823 855019797 /nfs/dbraw/zinc/01/97/97/855019797.db2.gz FGDSRRARSVGSLL-SFTDATJTSA-N 1 0 406.574 4.324 20 30 HIEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cccc(COc3ccccc3C#N)c2)o1 ZINC000303631765 855089548 /nfs/dbraw/zinc/08/95/48/855089548.db2.gz YTYYUWLZTCVMLL-UHFFFAOYSA-N 1 0 417.509 4.243 20 30 HIEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000303643754 855099895 /nfs/dbraw/zinc/09/98/95/855099895.db2.gz VWVXERBBOJYAAO-UHFFFAOYSA-N 1 0 403.526 4.085 20 30 HIEDRO CC1CC[NH+](CCCCNC(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1 ZINC000303644940 855100380 /nfs/dbraw/zinc/10/03/80/855100380.db2.gz RXLJWUNEOGWHJR-UHFFFAOYSA-N 1 0 405.542 4.379 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000303744829 855167541 /nfs/dbraw/zinc/16/75/41/855167541.db2.gz ZIULOHJSZPOXFW-IOJLRTSASA-N 1 0 414.619 4.073 20 30 HIEDRO C[C@@H](NC(=[NH2+])NCCNC(=O)c1ccccc1Cl)c1ccc(Cl)cc1Cl ZINC000303785107 855196947 /nfs/dbraw/zinc/19/69/47/855196947.db2.gz PZDDHRZWXAISHR-LLVKDONJSA-N 1 0 413.736 4.042 20 30 HIEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000303873894 855263328 /nfs/dbraw/zinc/26/33/28/855263328.db2.gz GYQPDUSUUUKSOL-INIZCTEOSA-N 1 0 401.352 4.319 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCC2(c3cc(C)ccc3OC)CCOCC2)cc1Cl ZINC000303881635 855267559 /nfs/dbraw/zinc/26/75/59/855267559.db2.gz LBEBAGFLCPQXBY-UHFFFAOYSA-N 1 0 417.937 4.141 20 30 HIEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2cccc(COCc3ccccc3)c2)c1 ZINC000303882421 855268474 /nfs/dbraw/zinc/26/84/74/855268474.db2.gz IAZMGSFWPLZCIP-UHFFFAOYSA-N 1 0 405.498 4.347 20 30 HIEDRO CSc1nnc(CCCNC(=[NH2+])Nc2ccc(OC(C)C)cc2)n1C1CCCC1 ZINC000303889905 855271678 /nfs/dbraw/zinc/27/16/78/855271678.db2.gz MHECEEWZRYXKMS-UHFFFAOYSA-N 1 0 416.595 4.262 20 30 HIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1 ZINC000303892747 855273269 /nfs/dbraw/zinc/27/32/69/855273269.db2.gz RLKQKOAACQBWIP-JTSKRJEESA-N 1 0 408.546 4.036 20 30 HIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000303892750 855273547 /nfs/dbraw/zinc/27/35/47/855273547.db2.gz RLKQKOAACQBWIP-VGOFRKELSA-N 1 0 408.546 4.036 20 30 HIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000303898334 855276188 /nfs/dbraw/zinc/27/61/88/855276188.db2.gz VMGONUDREBQORV-FHWLQOOXSA-N 1 0 422.573 4.376 20 30 HIEDRO C[C@@H](NC(=[NH2+])NCc1ccc(CN2CCCC2=O)cc1)c1ccc(Cl)cc1Cl ZINC000303900324 855277451 /nfs/dbraw/zinc/27/74/51/855277451.db2.gz SEPXOLFFPPDGIM-CQSZACIVSA-N 1 0 419.356 4.281 20 30 HIEDRO [NH2+]=C(NCc1ccc(Oc2cccnc2)c(F)c1)Nc1ccc2c(c1)OCCCO2 ZINC000303906232 855280729 /nfs/dbraw/zinc/28/07/29/855280729.db2.gz ZUXHFSARZRPYFK-UHFFFAOYSA-N 1 0 408.433 4.101 20 30 HIEDRO CCc1cccc(NC(=[NH2+])NCCC(=O)Nc2cc(Br)ccc2C)c1 ZINC000303982705 855336089 /nfs/dbraw/zinc/33/60/89/855336089.db2.gz QLDLLWDCLXHCGM-UHFFFAOYSA-N 1 0 403.324 4.075 20 30 HIEDRO COc1ccccc1N1CC[C@@H](CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000303988514 855337873 /nfs/dbraw/zinc/33/78/73/855337873.db2.gz WSFMXZLYVSRWNF-GJZGRUSLSA-N 1 0 421.372 4.494 20 30 HIEDRO [NH2+]=C(NCCc1coc(-c2ccc(F)cc2)n1)NCc1ccc(OC(F)(F)F)cc1 ZINC000304516672 855356172 /nfs/dbraw/zinc/35/61/72/855356172.db2.gz VUFKFLQOLYKBDV-UHFFFAOYSA-N 1 0 422.382 4.026 20 30 HIEDRO COc1ccc(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)c(OC)c1OC ZINC000304511127 855356486 /nfs/dbraw/zinc/35/64/86/855356486.db2.gz WXWZOIBNGACWNL-UHFFFAOYSA-N 1 0 407.470 4.432 20 30 HIEDRO [NH2+]=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)N[C@H]1CCOc2ccccc21 ZINC000304480642 855356734 /nfs/dbraw/zinc/35/67/34/855356734.db2.gz JKXAMEOUPGJSLH-OALUTQOASA-N 1 0 416.928 4.044 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCCOc2c(Cl)cc(Cl)cc2Cl)cc1OC ZINC000304784861 855358717 /nfs/dbraw/zinc/35/87/17/855358717.db2.gz NVWFICBLSPSQRN-UHFFFAOYSA-N 1 0 418.708 4.470 20 30 HIEDRO CCOCCOc1cc(C)ccc1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000305215644 855359632 /nfs/dbraw/zinc/35/96/32/855359632.db2.gz IDMQRSOWMRMQLC-UHFFFAOYSA-N 1 0 411.424 4.236 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccccc2-n2nc(C)cc2C)c1 ZINC000305095502 855360146 /nfs/dbraw/zinc/36/01/46/855360146.db2.gz RZLKVYORIHYTRW-UHFFFAOYSA-N 1 0 407.518 4.213 20 30 HIEDRO [NH2+]=C(NCc1ccc(COC2CCOCC2)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000305175013 855360317 /nfs/dbraw/zinc/36/03/17/855360317.db2.gz AESZNEUPUSWBRP-UHFFFAOYSA-N 1 0 423.435 4.208 20 30 HIEDRO C[C@@H](NC(=[NH2+])NCc1ccc(N2CCOC2=O)cc1)c1ccc(Cl)cc1Cl ZINC000305841672 855361919 /nfs/dbraw/zinc/36/19/19/855361919.db2.gz ZNXCYMPQYBOXMO-GFCCVEGCSA-N 1 0 407.301 4.116 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1 ZINC000409460876 855490117 /nfs/dbraw/zinc/49/01/17/855490117.db2.gz JMBMDFNCNVIUCJ-IBGZPJMESA-N 1 0 413.525 4.048 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000409503447 855512425 /nfs/dbraw/zinc/51/24/25/855512425.db2.gz SQVCRDBKNWPHPF-HNNXBMFYSA-N 1 0 412.347 4.160 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C3CCN(CC(F)(F)F)CC3)c2)c1 ZINC000409716576 855617653 /nfs/dbraw/zinc/61/76/53/855617653.db2.gz YEXDJGTXUHNRMG-UHFFFAOYSA-N 1 0 403.448 4.254 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc(CCc2ccccc2)n1 ZINC000409787345 855654280 /nfs/dbraw/zinc/65/42/80/855654280.db2.gz CPWZLYAYMIYUAR-UHFFFAOYSA-N 1 0 418.566 4.004 20 30 HIEDRO CC1CC[NH+](CCc2cccc(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)c2)CC1 ZINC000409902098 855714225 /nfs/dbraw/zinc/71/42/25/855714225.db2.gz MKIVQMWRNOVZLP-UHFFFAOYSA-N 1 0 413.525 4.271 20 30 HIEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)NCCSCc2ccccc2C#N)CC1 ZINC000410315928 855923778 /nfs/dbraw/zinc/92/37/78/855923778.db2.gz XSUKZWUVDRBQCE-UHFFFAOYSA-N 1 0 422.598 4.064 20 30 HIEDRO C[C@@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000410368284 855955089 /nfs/dbraw/zinc/95/50/89/855955089.db2.gz ADKQECAZOFVIFQ-OAHLLOKOSA-N 1 0 420.340 4.223 20 30 HIEDRO C=CCNC(=O)c1cccc(-c2noc([C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3C(F)(F)F)n2)c1 ZINC000426392431 856272004 /nfs/dbraw/zinc/27/20/04/856272004.db2.gz YVTMIENBYNGAMC-HZPDHXFCSA-N 1 0 422.451 4.029 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ncccc1C(F)(F)F ZINC000428064818 857060148 /nfs/dbraw/zinc/06/01/48/857060148.db2.gz RGGQNFORYLMLCI-UHFFFAOYSA-N 1 0 411.497 4.199 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C(C)C)[C@@H](C)c1ccccc1 ZINC000428877332 857383549 /nfs/dbraw/zinc/38/35/49/857383549.db2.gz AHVZTASQNGFXCD-FQEVSTJZSA-N 1 0 410.562 4.423 20 30 HIEDRO CCOC(=O)C1CCC(O)(C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000429340299 857609834 /nfs/dbraw/zinc/60/98/34/857609834.db2.gz HSPVTPPIWXWFNE-SIPIWMQHSA-N 1 0 406.526 4.360 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000429438511 857668158 /nfs/dbraw/zinc/66/81/58/857668158.db2.gz VPRVRTQHJKEJAV-GXUWAKPLSA-N 1 0 403.570 4.271 20 30 HIEDRO CN(Cc1cccc(C#N)c1)C(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000429502823 857701491 /nfs/dbraw/zinc/70/14/91/857701491.db2.gz KKHKFABAUUOBLM-HSZRJFAPSA-N 1 0 404.558 4.173 20 30 HIEDRO CC(C)(CO)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000429714916 857847322 /nfs/dbraw/zinc/84/73/22/857847322.db2.gz YKZGVVZNYIBQQK-NRFANRHFSA-N 1 0 411.571 4.177 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H]1[C@@H]3CCO[C@H]3C13CCCC3)CCCCC2 ZINC000429724950 857851418 /nfs/dbraw/zinc/85/14/18/857851418.db2.gz XZOCTSFQTHRTHX-ZLGUVYLKSA-N 1 0 413.587 4.155 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000429810036 857892794 /nfs/dbraw/zinc/89/27/94/857892794.db2.gz OMJYNFNNLYETHI-UHFFFAOYSA-N 1 0 404.539 4.081 20 30 HIEDRO COc1ccccc1-n1nccc1C[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000430036819 858006182 /nfs/dbraw/zinc/00/61/82/858006182.db2.gz GCLUQEFKBZERJL-UHFFFAOYSA-N 1 0 402.498 4.232 20 30 HIEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)nc1 ZINC000430157236 858057192 /nfs/dbraw/zinc/05/71/92/858057192.db2.gz PSRXTLFSWRHERW-DEOSSOPVSA-N 1 0 410.477 4.057 20 30 HIEDRO Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430180591 858069217 /nfs/dbraw/zinc/06/92/17/858069217.db2.gz RPOCAVQZGBHDQR-HXUWFJFHSA-N 1 0 407.905 4.063 20 30 HIEDRO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cccc(OCc4ccccc4C#N)c3)C2)nc1 ZINC000430185463 858071569 /nfs/dbraw/zinc/07/15/69/858071569.db2.gz HOBIUTZUBZUXDP-DEOSSOPVSA-N 1 0 410.477 4.057 20 30 HIEDRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000430188466 858073326 /nfs/dbraw/zinc/07/33/26/858073326.db2.gz SDNJOSDSLKTBQP-HXUWFJFHSA-N 1 0 421.932 4.122 20 30 HIEDRO C[C@@H]1C[C@@H](N(C)Cc2nnc(-c3cccc(C#N)c3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000430826261 858319064 /nfs/dbraw/zinc/31/90/64/858319064.db2.gz VERGXHWIGUZEPF-GCJKJVERSA-N 1 0 401.514 4.093 20 30 HIEDRO CC(C)(C)N1CC[C@H](NC(=O)NCC2(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000430909558 858366198 /nfs/dbraw/zinc/36/61/98/858366198.db2.gz ARTFMYPTBQBDAS-ZWKOTPCHSA-N 1 0 406.933 4.386 20 30 HIEDRO C=CCN1C(=O)N([C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431419096 858605941 /nfs/dbraw/zinc/60/59/41/858605941.db2.gz CRTXLQUOTMAPGB-HUVFLSCGSA-N 1 0 417.553 4.101 20 30 HIEDRO Cc1cc(NC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)n(C2CC[NH+](C)CC2)n1 ZINC000431514501 858651103 /nfs/dbraw/zinc/65/11/03/858651103.db2.gz QMXNZISTLLKHDO-UHFFFAOYSA-N 1 0 414.513 4.326 20 30 HIEDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)ccc1OCc1cccc(C#N)c1 ZINC000431608900 858687746 /nfs/dbraw/zinc/68/77/46/858687746.db2.gz LMVXSOIOICYXEZ-QHCPKHFHSA-N 1 0 415.493 4.194 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431698035 858746768 /nfs/dbraw/zinc/74/67/68/858746768.db2.gz QYONVHYWZFNVII-GBXCKJPGSA-N 1 0 402.542 4.309 20 30 HIEDRO Cc1c(C#N)cccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000431734265 858773176 /nfs/dbraw/zinc/77/31/76/858773176.db2.gz VZRBIXMOEQACDG-UHFFFAOYSA-N 1 0 404.436 4.481 20 30 HIEDRO C[C@H](NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccc(C#N)cc1 ZINC000431864597 858844784 /nfs/dbraw/zinc/84/47/84/858844784.db2.gz KMJKEIIVAJMTCQ-FQEVSTJZSA-N 1 0 402.542 4.317 20 30 HIEDRO N#CCCC[C@H](NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000431935163 858877081 /nfs/dbraw/zinc/87/70/81/858877081.db2.gz GFYDQZSQFKIFDZ-UPVQGACJSA-N 1 0 404.558 4.285 20 30 HIEDRO COC1CC[NH+](C2(CNC(=O)N[C@H](CCCC#N)c3ccccc3)CCCC2)CC1 ZINC000431939588 858879639 /nfs/dbraw/zinc/87/96/39/858879639.db2.gz SDPDOAYAQCFVJE-JOCHJYFZSA-N 1 0 412.578 4.144 20 30 HIEDRO Cc1c2cc(Br)ccc2sc1C(=O)N(CCC#N)CCC[NH+](C)C ZINC000432782150 859357135 /nfs/dbraw/zinc/35/71/35/859357135.db2.gz VSJVBVHCKKUQMZ-UHFFFAOYSA-N 1 0 408.365 4.280 20 30 HIEDRO N#CCCC[C@@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C12CCCC2)c1ccccc1 ZINC000433012651 859477336 /nfs/dbraw/zinc/47/73/36/859477336.db2.gz ULQSBGQUWISYSZ-HXUWFJFHSA-N 1 0 416.525 4.309 20 30 HIEDRO N#CCCC[C@@H]([NH2+]CC(=O)N1CCC(OCc2ccccc2)CC1)c1ccccc1 ZINC000433025065 859485837 /nfs/dbraw/zinc/48/58/37/859485837.db2.gz HBIHCWRAFQOGDZ-XMMPIXPASA-N 1 0 405.542 4.219 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000433296446 859624044 /nfs/dbraw/zinc/62/40/44/859624044.db2.gz IHHAVGUJTPCKGZ-MBSDFSHPSA-N 1 0 423.582 4.370 20 30 HIEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433306083 859629365 /nfs/dbraw/zinc/62/93/65/859629365.db2.gz ROZIEWZSKJHNMQ-DOTOQJQBSA-N 1 0 412.331 4.212 20 30 HIEDRO Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000433315988 859634297 /nfs/dbraw/zinc/63/42/97/859634297.db2.gz ZZUYKJMALMOOIP-RDGATRHJSA-N 1 0 415.541 4.425 20 30 HIEDRO C[N@H+](CCc1cccc(NCc2cn(CCC#N)nc2-c2ccncc2)c1)C1CC1 ZINC000433325970 859643533 /nfs/dbraw/zinc/64/35/33/859643533.db2.gz JALNCJXSYVUCEN-UHFFFAOYSA-N 1 0 400.530 4.108 20 30 HIEDRO COc1ccc([C@@H]([NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c2ccc(C)cc2)cc1 ZINC000433699338 859842361 /nfs/dbraw/zinc/84/23/61/859842361.db2.gz MPKJXDYEWYMABC-RPBOFIJWSA-N 1 0 411.505 4.360 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1)C(C)C ZINC000433938258 859986886 /nfs/dbraw/zinc/98/68/86/859986886.db2.gz AXNJXTDDTUERCB-JOCHJYFZSA-N 1 0 415.553 4.129 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1)C(C)C ZINC000433938259 859987329 /nfs/dbraw/zinc/98/73/29/859987329.db2.gz AXNJXTDDTUERCB-QFIPXVFZSA-N 1 0 415.553 4.129 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467704713 881501516 /nfs/dbraw/zinc/50/15/16/881501516.db2.gz LQARVDOTQWKBIK-SFHVURJKSA-N 1 0 416.591 4.190 20 30 HIEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CCc1ccc(C#N)cc1 ZINC000434322679 860283394 /nfs/dbraw/zinc/28/33/94/860283394.db2.gz WXEQVGPQYGUSBN-HSZRJFAPSA-N 1 0 413.525 4.082 20 30 HIEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1c(F)cc(C#N)cc1F ZINC000434324312 860284781 /nfs/dbraw/zinc/28/47/81/860284781.db2.gz CKLZEUZGIIZKIQ-SFHVURJKSA-N 1 0 421.451 4.041 20 30 HIEDRO COc1cc([C@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)ccc1OCC(C)C ZINC000434881808 860532691 /nfs/dbraw/zinc/53/26/91/860532691.db2.gz YAYSZSBHFCLJKS-YJBOKZPZSA-N 1 0 413.543 4.119 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(OCC3CCCC3)CC1)CCC2 ZINC000434893843 860539997 /nfs/dbraw/zinc/53/99/97/860539997.db2.gz CISSJEAHHOSMOM-UHFFFAOYSA-N 1 0 401.576 4.108 20 30 HIEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000434985867 860586172 /nfs/dbraw/zinc/58/61/72/860586172.db2.gz KZQOGIJGOUUTPJ-PKTZIBPZSA-N 1 0 419.504 4.350 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)c(-c2ccncc2)n1 ZINC000435124296 860651864 /nfs/dbraw/zinc/65/18/64/860651864.db2.gz NXFQAYRQGHYLNS-HXUWFJFHSA-N 1 0 417.488 4.093 20 30 HIEDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C12CCCCC2 ZINC000435128159 860653768 /nfs/dbraw/zinc/65/37/68/860653768.db2.gz ZNVJOQJMANWJDT-YADHBBJMSA-N 1 0 407.562 4.418 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(OCCc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000435129551 860654264 /nfs/dbraw/zinc/65/42/64/860654264.db2.gz KMQVOMRZIMJLAU-UHFFFAOYSA-N 1 0 415.541 4.082 20 30 HIEDRO N#CCCn1cc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c(-c2ccncc2)n1 ZINC000435136872 860659197 /nfs/dbraw/zinc/65/91/97/860659197.db2.gz IDWBNKNNTNZJRF-HSZRJFAPSA-N 1 0 419.504 4.179 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1C#N ZINC000435153717 860667534 /nfs/dbraw/zinc/66/75/34/860667534.db2.gz MXUUISXUGUSQDA-UHFFFAOYSA-N 1 0 419.298 4.056 20 30 HIEDRO Cc1cc(NC(=O)c2c(F)cc(C#N)cc2F)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435293236 860723000 /nfs/dbraw/zinc/72/30/00/860723000.db2.gz WNXQBFFAJBLAOV-SFHVURJKSA-N 1 0 421.451 4.041 20 30 HIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1OC ZINC000435752016 861031024 /nfs/dbraw/zinc/03/10/24/861031024.db2.gz VMTZVXLYWGXONG-IAQYHMDHSA-N 1 0 419.157 4.291 20 30 HIEDRO CN(c1ccccc1)c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000435781970 861057006 /nfs/dbraw/zinc/05/70/06/861057006.db2.gz LVIKBMBEHMICDL-HSZRJFAPSA-N 1 0 411.509 4.006 20 30 HIEDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000437744767 863068933 /nfs/dbraw/zinc/06/89/33/863068933.db2.gz KETDTQHQPOVQLD-QFIPXVFZSA-N 1 0 406.530 4.280 20 30 HIEDRO N#Cc1cccc(OCc2ccoc2C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000437859611 863218837 /nfs/dbraw/zinc/21/88/37/863218837.db2.gz OCIOLGRXKCYYKP-NRFANRHFSA-N 1 0 407.514 4.257 20 30 HIEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)cc2Cl)cc1 ZINC000437897000 863266763 /nfs/dbraw/zinc/26/67/63/863266763.db2.gz NEAKOKIDICJVSC-SFHVURJKSA-N 1 0 408.889 4.482 20 30 HIEDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[N@@H+]1C ZINC000437897262 863268875 /nfs/dbraw/zinc/26/88/75/863268875.db2.gz NNIWXKLLIPURKR-RXVVDRJESA-N 1 0 406.530 4.278 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H]1c1cccs1 ZINC000437981818 863348755 /nfs/dbraw/zinc/34/87/55/863348755.db2.gz COMCZFIBYJHGGD-KSSFIOAISA-N 1 0 420.485 4.426 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000438208116 863640497 /nfs/dbraw/zinc/64/04/97/863640497.db2.gz AUFNFOWOZKLPCM-LPHOPBHVSA-N 1 0 408.502 4.306 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccnc(Oc2ccccc2)c1 ZINC000438479917 863897425 /nfs/dbraw/zinc/89/74/25/863897425.db2.gz QRBMUMBTHKZACG-UHFFFAOYSA-N 1 0 415.497 4.341 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000438481464 863898764 /nfs/dbraw/zinc/89/87/64/863898764.db2.gz IGGAGQCAWXBSMW-UHFFFAOYSA-N 1 0 414.509 4.407 20 30 HIEDRO C=CCN(Cc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000438654435 864096784 /nfs/dbraw/zinc/09/67/84/864096784.db2.gz IILWRIQVHXBPAQ-UHFFFAOYSA-N 1 0 408.546 4.057 20 30 HIEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N[C@@H](CCC#N)c3ccccc3)cc2)C[C@@H](C)O1 ZINC000438843790 864339138 /nfs/dbraw/zinc/33/91/38/864339138.db2.gz WQUCYCRRFRBNTL-REHUZNOOSA-N 1 0 420.557 4.140 20 30 HIEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000439392769 864817077 /nfs/dbraw/zinc/81/70/77/864817077.db2.gz APMCZGIPYZAPKC-CQSZACIVSA-N 1 0 417.435 4.319 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc(C#N)cc1F ZINC000468028498 881861639 /nfs/dbraw/zinc/86/16/39/881861639.db2.gz IBRUOSMEOPKQRT-XJKSGUPXSA-N 1 0 405.395 4.168 20 30 HIEDRO N#Cc1cccc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000440431529 865733168 /nfs/dbraw/zinc/73/31/68/865733168.db2.gz PROYGGCUGRTQHL-IBGZPJMESA-N 1 0 401.432 4.085 20 30 HIEDRO COc1cc(C[NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)ccc1C#N ZINC000440608500 865835745 /nfs/dbraw/zinc/83/57/45/865835745.db2.gz AVUBLKKJTFQPGX-HNNXBMFYSA-N 1 0 410.827 4.003 20 30 HIEDRO CC[N@H+](Cc1cc(C#N)ccc1OC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000440700517 865869516 /nfs/dbraw/zinc/86/95/16/865869516.db2.gz GFZJETRJFBOBQO-UHFFFAOYSA-N 1 0 407.562 4.280 20 30 HIEDRO COc1cc(C[NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)ccc1C#N ZINC000440812742 865929957 /nfs/dbraw/zinc/92/99/57/865929957.db2.gz WLXZOBRPNSDJMX-UHFFFAOYSA-N 1 0 403.448 4.340 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)c1C#N ZINC000441232474 866308806 /nfs/dbraw/zinc/30/88/06/866308806.db2.gz SSIARSWWBPOOSM-PMACEKPBSA-N 1 0 412.578 4.169 20 30 HIEDRO C[C@@H]1C[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[N@@H+]1C1CC1 ZINC000441290048 866363994 /nfs/dbraw/zinc/36/39/94/866363994.db2.gz WWCDYCFVBLONCF-VGSWGCGISA-N 1 0 406.505 4.034 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000441331666 866403663 /nfs/dbraw/zinc/40/36/63/866403663.db2.gz OURNGOAABUBCDK-QHCPKHFHSA-N 1 0 405.542 4.089 20 30 HIEDRO N#Cc1cc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)ccc1OC(F)(F)F ZINC000442052658 867086769 /nfs/dbraw/zinc/08/67/69/867086769.db2.gz PZVVNYSROAAFMV-UHFFFAOYSA-N 1 0 410.440 4.233 20 30 HIEDRO CC1CC[NH+](CCc2cccc(NC(=O)C(=O)Nc3ccc(C#N)cc3Cl)c2)CC1 ZINC000442188697 867210675 /nfs/dbraw/zinc/21/06/75/867210675.db2.gz ACBXDITUDGPMTP-UHFFFAOYSA-N 1 0 424.932 4.063 20 30 HIEDRO Cc1ccc2[nH]cc(CCC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2c1 ZINC000468254427 882164062 /nfs/dbraw/zinc/16/40/62/882164062.db2.gz ZXLGQVFUJDYRHQ-UHFFFAOYSA-N 1 0 400.526 4.015 20 30 HIEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443657404 868259092 /nfs/dbraw/zinc/25/90/92/868259092.db2.gz NQINFUWKKOPGFM-MSOLQXFVSA-N 1 0 420.488 4.482 20 30 HIEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443657406 868259928 /nfs/dbraw/zinc/25/99/28/868259928.db2.gz NQINFUWKKOPGFM-QZTJIDSGSA-N 1 0 420.488 4.482 20 30 HIEDRO N#Cc1cc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)ccc1F ZINC000468266564 882185190 /nfs/dbraw/zinc/18/51/90/882185190.db2.gz PRAOJGKAQYPDSD-UHFFFAOYSA-N 1 0 416.294 4.311 20 30 HIEDRO C[NH+](C)[C@]1(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCSC1 ZINC000443917856 868453142 /nfs/dbraw/zinc/45/31/42/868453142.db2.gz FIHUIWLKWVJORF-NRFANRHFSA-N 1 0 414.506 4.048 20 30 HIEDRO N#Cc1ccc(C(F)(F)F)nc1NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000443943166 868479024 /nfs/dbraw/zinc/47/90/24/868479024.db2.gz RAWSMKRSBKFPKN-UHFFFAOYSA-N 1 0 408.399 4.066 20 30 HIEDRO Cc1nc(SCC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c(C#N)c(C)c1C ZINC000443958176 868493388 /nfs/dbraw/zinc/49/33/88/868493388.db2.gz CFALZHFENPWQQK-UHFFFAOYSA-N 1 0 414.619 4.085 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(CC[NH+](C)C)CC(C)C)cc1 ZINC000444030711 868562644 /nfs/dbraw/zinc/56/26/44/868562644.db2.gz GFOWLJBDWMNBNZ-UHFFFAOYSA-N 1 0 410.518 4.411 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444273490 868710305 /nfs/dbraw/zinc/71/03/05/868710305.db2.gz PWTUMHPRHZAZJT-WMZHIEFXSA-N 1 0 400.526 4.195 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+][C@@H](C)c2cccc(O)c2)c1C#N ZINC000444750717 868987077 /nfs/dbraw/zinc/98/70/77/868987077.db2.gz IPTGILRTWBHXLW-INIZCTEOSA-N 1 0 406.486 4.003 20 30 HIEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000444784865 869003211 /nfs/dbraw/zinc/00/32/11/869003211.db2.gz PFQCBHOPGSNYMT-NRFANRHFSA-N 1 0 406.526 4.484 20 30 HIEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1 ZINC000445988447 869951968 /nfs/dbraw/zinc/95/19/68/869951968.db2.gz ODIDMAALJPSFHV-ICSRJNTNSA-N 1 0 422.472 4.277 20 30 HIEDRO COc1ccc(C#N)cc1C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000447326786 871218143 /nfs/dbraw/zinc/21/81/43/871218143.db2.gz QLYIGGLHYZHRGH-UHFFFAOYSA-N 1 0 406.404 4.261 20 30 HIEDRO CC(C)[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000468511481 882512183 /nfs/dbraw/zinc/51/21/83/882512183.db2.gz MLLQCJBOVYFJSJ-JOCHJYFZSA-N 1 0 414.500 4.307 20 30 HIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447589409 871494895 /nfs/dbraw/zinc/49/48/95/871494895.db2.gz XSLWERCMDRXTAF-GUMHCPJTSA-N 1 0 409.490 4.126 20 30 HIEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000448314599 872250580 /nfs/dbraw/zinc/25/05/80/872250580.db2.gz PTLRWIFITMJWJW-NRFANRHFSA-N 1 0 405.542 4.235 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000460367216 873001583 /nfs/dbraw/zinc/00/15/83/873001583.db2.gz ASWOFQJXTGOCHQ-KRXUUXHPSA-N 1 0 409.578 4.018 20 30 HIEDRO C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460372490 873008457 /nfs/dbraw/zinc/00/84/57/873008457.db2.gz DUYQYYACUMYENF-RBUKOAKNSA-N 1 0 404.562 4.076 20 30 HIEDRO C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460372489 873008617 /nfs/dbraw/zinc/00/86/17/873008617.db2.gz DUYQYYACUMYENF-OALUTQOASA-N 1 0 404.562 4.076 20 30 HIEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460373610 873009863 /nfs/dbraw/zinc/00/98/63/873009863.db2.gz DZWKDHATEFGFGD-AVRDEDQJSA-N 1 0 404.562 4.236 20 30 HIEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000460374740 873011601 /nfs/dbraw/zinc/01/16/01/873011601.db2.gz MLCNRYOOTFRXMM-UHFFFAOYSA-N 1 0 408.594 4.317 20 30 HIEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460379384 873018521 /nfs/dbraw/zinc/01/85/21/873018521.db2.gz HNSCHKFOZIDTLK-AZUAARDMSA-N 1 0 406.578 4.235 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460580549 873315231 /nfs/dbraw/zinc/31/52/31/873315231.db2.gz XAVARGCJIJCUFB-CQSZACIVSA-N 1 0 422.396 4.018 20 30 HIEDRO C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000460771142 873619967 /nfs/dbraw/zinc/61/99/67/873619967.db2.gz UCWMZHOVAOLTPQ-NFBKMPQASA-N 1 0 423.605 4.086 20 30 HIEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460774178 873623731 /nfs/dbraw/zinc/62/37/31/873623731.db2.gz WOUHRAYLHRONDA-UHFFFAOYSA-N 1 0 416.573 4.325 20 30 HIEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460945765 873844877 /nfs/dbraw/zinc/84/48/77/873844877.db2.gz LYXXQQXVDZODFV-UHFFFAOYSA-N 1 0 418.589 4.312 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460946595 873844947 /nfs/dbraw/zinc/84/49/47/873844947.db2.gz YUVOFVVBYUHPRZ-XZOQPEGZSA-N 1 0 423.605 4.410 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460948720 873846679 /nfs/dbraw/zinc/84/66/79/873846679.db2.gz XCDNNWPDZMGCAC-YPIGPJMWSA-N 1 0 421.589 4.162 20 30 HIEDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C(=O)N1c1ccccc1 ZINC000462739352 875810048 /nfs/dbraw/zinc/81/00/48/875810048.db2.gz VZZDOQGDKJMURE-KBMIEXCESA-N 1 0 411.505 4.421 20 30 HIEDRO N#Cc1cccc(C2(NC(=O)NC[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000462739218 875810072 /nfs/dbraw/zinc/81/00/72/875810072.db2.gz NPMILQXKIQMOQA-QFIPXVFZSA-N 1 0 402.542 4.149 20 30 HIEDRO CC1(C)CN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000462827734 875864570 /nfs/dbraw/zinc/86/45/70/875864570.db2.gz JASIWJSJXDSFMB-UHFFFAOYSA-N 1 0 401.470 4.115 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1OCCCO)c1cccc(C#N)c1 ZINC000462948525 875968669 /nfs/dbraw/zinc/96/86/69/875968669.db2.gz NXGLQUHZAPVSIE-CABCVRRESA-N 1 0 403.320 4.494 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(Br)cc1OCCCO ZINC000462954624 875972153 /nfs/dbraw/zinc/97/21/53/875972153.db2.gz BUOHHEKVUXZHDX-LSDHHAIUSA-N 1 0 403.320 4.494 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1OCCCO)c1ccc(C#N)cc1 ZINC000462954621 875972513 /nfs/dbraw/zinc/97/25/13/875972513.db2.gz BUOHHEKVUXZHDX-CABCVRRESA-N 1 0 403.320 4.494 20 30 HIEDRO Cc1nc(-c2cccc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c2)cs1 ZINC000463122588 876164974 /nfs/dbraw/zinc/16/49/74/876164974.db2.gz JTLONESUIOAEPP-UHFFFAOYSA-N 1 0 404.539 4.194 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000463209008 876269886 /nfs/dbraw/zinc/26/98/86/876269886.db2.gz HPTRHBCKXVCIOD-KOUHRCEDSA-N 1 0 415.603 4.425 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)cc1 ZINC000463243888 876299596 /nfs/dbraw/zinc/29/95/96/876299596.db2.gz DUVCHYVAFOPBSB-UHFFFAOYSA-N 1 0 418.419 4.239 20 30 HIEDRO C[C@@]1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCCN1Cc1ccccc1 ZINC000463277087 876334398 /nfs/dbraw/zinc/33/43/98/876334398.db2.gz ROYNSVOEEOHDGO-SANMLTNESA-N 1 0 402.586 4.167 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1c(F)cc(C(F)(F)F)cc1F ZINC000463814673 876929604 /nfs/dbraw/zinc/92/96/04/876929604.db2.gz OPIJOQMANCORSP-UHFFFAOYSA-N 1 0 411.374 4.059 20 30 HIEDRO Cc1cc(Br)cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000464162165 877329470 /nfs/dbraw/zinc/32/94/70/877329470.db2.gz YIKKERIGRCOABN-UHFFFAOYSA-N 1 0 412.331 4.046 20 30 HIEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000464746846 877979743 /nfs/dbraw/zinc/97/97/43/877979743.db2.gz HBNDDEPLVZYTJV-PMACEKPBSA-N 1 0 421.541 4.278 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCCC2(C1)CCCCCC2 ZINC000464754489 877993859 /nfs/dbraw/zinc/99/38/59/877993859.db2.gz DDBSCRNNFMLPND-UHFFFAOYSA-N 1 0 414.594 4.388 20 30 HIEDRO CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000464788432 878035409 /nfs/dbraw/zinc/03/54/09/878035409.db2.gz JWTDDQGTAKWYGP-QFIPXVFZSA-N 1 0 419.504 4.021 20 30 HIEDRO C[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000464831344 878088736 /nfs/dbraw/zinc/08/87/36/878088736.db2.gz AAUREIDREVLBES-GOSISDBHSA-N 1 0 422.598 4.033 20 30 HIEDRO CCSCC[C@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000464850460 878126396 /nfs/dbraw/zinc/12/63/96/878126396.db2.gz DWWUBQOYDUOPCZ-HNNXBMFYSA-N 1 0 402.564 4.020 20 30 HIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464903276 878217436 /nfs/dbraw/zinc/21/74/36/878217436.db2.gz VNICPPAJPRVPDQ-RDPSFJRHSA-N 1 0 405.542 4.085 20 30 HIEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)Nc3cc(C#N)ccc3C)CC2)c1C ZINC000503356322 912330518 /nfs/dbraw/zinc/33/05/18/912330518.db2.gz DRDSQAMVNJRHTE-UHFFFAOYSA-N 1 0 421.545 4.015 20 30 HIEDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 ZINC000503366288 912343119 /nfs/dbraw/zinc/34/31/19/912343119.db2.gz LOJTWDSSJGXCOI-OAQYLSRUSA-N 1 0 406.530 4.299 20 30 HIEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000465152352 878532210 /nfs/dbraw/zinc/53/22/10/878532210.db2.gz CLMIBCGVLKHWPP-QFIPXVFZSA-N 1 0 420.557 4.431 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503405066 912384573 /nfs/dbraw/zinc/38/45/73/912384573.db2.gz IVXANYVYSDIFII-YWZLYKJASA-N 1 0 406.368 4.071 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)cc1 ZINC000465428353 878859542 /nfs/dbraw/zinc/85/95/42/878859542.db2.gz KQJOZKZSUKPBND-QHCPKHFHSA-N 1 0 423.513 4.091 20 30 HIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000465445574 878876317 /nfs/dbraw/zinc/87/63/17/878876317.db2.gz XOZINBCBGKCNDV-BJKOFHAPSA-N 1 0 402.542 4.132 20 30 HIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000465617350 879118516 /nfs/dbraw/zinc/11/85/16/879118516.db2.gz ZUWGAABVDFDFID-ZEQRLZLVSA-N 1 0 402.542 4.264 20 30 HIEDRO N#Cc1ccc(F)c(CNC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000465875164 879527102 /nfs/dbraw/zinc/52/71/02/879527102.db2.gz SBBPPJSQIYVGAF-UHFFFAOYSA-N 1 0 422.548 4.231 20 30 HIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000466005319 879685244 /nfs/dbraw/zinc/68/52/44/879685244.db2.gz LPTSQXIHFBAZJJ-UHFFFAOYSA-N 1 0 403.979 4.198 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3cc(Cl)cn3C)sc2C1 ZINC000466945546 880718879 /nfs/dbraw/zinc/71/88/79/880718879.db2.gz CNRYXAJMBYGRHG-ZDUSSCGKSA-N 1 0 404.967 4.197 20 30 HIEDRO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CCC(=O)Nc1cccc(C#N)c1 ZINC000467188103 880915097 /nfs/dbraw/zinc/91/50/97/880915097.db2.gz WUBHLKUPSGQNSC-UHFFFAOYSA-N 1 0 401.514 4.130 20 30 HIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1ccc(Br)cc1OC ZINC000469753995 883916279 /nfs/dbraw/zinc/91/62/79/883916279.db2.gz WIBLOOWMVNQRTE-CYBMUJFWSA-N 1 0 405.292 4.068 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000503698549 912801920 /nfs/dbraw/zinc/80/19/20/912801920.db2.gz JTSBDBRPHHRMMH-SFHVURJKSA-N 1 0 410.518 4.422 20 30 HIEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470025341 884243889 /nfs/dbraw/zinc/24/38/89/884243889.db2.gz VPEDRKYBXVMEAK-MRXNPFEDSA-N 1 0 404.297 4.347 20 30 HIEDRO CN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470277314 884638257 /nfs/dbraw/zinc/63/82/57/884638257.db2.gz WGGKSHADFYMGRL-LJQANCHMSA-N 1 0 404.436 4.021 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nnc(-c2ccc(C)cc2)o1 ZINC000503993899 912902622 /nfs/dbraw/zinc/90/26/22/912902622.db2.gz LSSLFHIRJWWKJO-UHFFFAOYSA-N 1 0 424.574 4.143 20 30 HIEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)[C@H](C)C1 ZINC000471236781 885812858 /nfs/dbraw/zinc/81/28/58/885812858.db2.gz RXBYEZZWSZZYMZ-VGSWGCGISA-N 1 0 413.610 4.082 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1noc(-c2ccccc2C)n1 ZINC000471243604 885820066 /nfs/dbraw/zinc/82/00/66/885820066.db2.gz LMFJURAPKKNOIC-UHFFFAOYSA-N 1 0 424.574 4.143 20 30 HIEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000471566947 886275916 /nfs/dbraw/zinc/27/59/16/886275916.db2.gz RUCUYUGLVKXKJG-DEOSSOPVSA-N 1 0 421.541 4.118 20 30 HIEDRO C[N@H+](Cc1ccccc1CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000471795521 886530928 /nfs/dbraw/zinc/53/09/28/886530928.db2.gz ZXGZCJCEWBLOEJ-XMMPIXPASA-N 1 0 414.553 4.321 20 30 HIEDRO N#CCC[C@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000472049189 886863044 /nfs/dbraw/zinc/86/30/44/886863044.db2.gz PUTUEJPQHMCNOM-ACBHZAAOSA-N 1 0 408.468 4.136 20 30 HIEDRO CC[C@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@H]1c1ccccc1 ZINC000472239958 887047182 /nfs/dbraw/zinc/04/71/82/887047182.db2.gz JGGHBRPBRSAPQY-WMZHIEFXSA-N 1 0 413.525 4.198 20 30 HIEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](COC)Cc1ccccc1 ZINC000472322871 887155614 /nfs/dbraw/zinc/15/56/14/887155614.db2.gz SDISQNXPITUPQC-GOSISDBHSA-N 1 0 411.571 4.017 20 30 HIEDRO CC(C)(C)N1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000504258465 913121855 /nfs/dbraw/zinc/12/18/55/913121855.db2.gz QUIGEGGVADMOFB-MJGOQNOKSA-N 1 0 400.885 4.090 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CC[C@@H](c4ccc(F)cc4)C3)CC2)cc1 ZINC000472538241 887413396 /nfs/dbraw/zinc/41/33/96/887413396.db2.gz YSPRFVWBSZGKLO-VWNXMTODSA-N 1 0 420.532 4.251 20 30 HIEDRO N#CC(CC[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1)(c1ccccc1)c1ccccc1 ZINC000472775397 887621877 /nfs/dbraw/zinc/62/18/77/887621877.db2.gz VJQUTAASUDNJNS-QFIPXVFZSA-N 1 0 401.554 4.125 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2-c2nc(C3CC3)no2)CC1 ZINC000472853782 887709408 /nfs/dbraw/zinc/70/94/08/887709408.db2.gz SCYRBGCHTQYRMQ-UHFFFAOYSA-N 1 0 415.925 4.429 20 30 HIEDRO C[C@H](CCNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000473009204 887839439 /nfs/dbraw/zinc/83/94/39/887839439.db2.gz GEYMKBSSWIAFIV-AGILITTLSA-N 1 0 404.558 4.378 20 30 HIEDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccc(F)c(C(F)(F)F)c1 ZINC000473525776 888263629 /nfs/dbraw/zinc/26/36/29/888263629.db2.gz ZVNRELFPVDORTA-UHFFFAOYSA-N 1 0 412.349 4.380 20 30 HIEDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000504429483 913241873 /nfs/dbraw/zinc/24/18/73/913241873.db2.gz QYEWZYOITBZZSB-JOCHJYFZSA-N 1 0 420.557 4.391 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCCc1ccc(Cl)s1 ZINC000504458208 913263322 /nfs/dbraw/zinc/26/33/22/913263322.db2.gz MMHQOQLGIXAANP-UHFFFAOYSA-N 1 0 418.994 4.369 20 30 HIEDRO CCCOc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000473972517 888838721 /nfs/dbraw/zinc/83/87/21/888838721.db2.gz RLCNMIFPWIRGFM-UHFFFAOYSA-N 1 0 420.557 4.073 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+]C2(CCO)CCCCC2)c1C#N ZINC000474270849 889132148 /nfs/dbraw/zinc/13/21/48/889132148.db2.gz DQDYUMATRUTEIT-UHFFFAOYSA-N 1 0 400.567 4.095 20 30 HIEDRO COc1ccc([C@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)cc1 ZINC000504547008 913323352 /nfs/dbraw/zinc/32/33/52/913323352.db2.gz LQZFZYFNFAAYQK-KRWDZBQOSA-N 1 0 409.555 4.325 20 30 HIEDRO Cc1ccc(SC[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000474357367 889235195 /nfs/dbraw/zinc/23/51/95/889235195.db2.gz XLVJVCFEQQXECV-LJQANCHMSA-N 1 0 410.587 4.121 20 30 HIEDRO C=C(C)CN1CCC([NH2+][C@@H](C)CCc2ccc(I)cc2)CC1 ZINC000474713973 889572759 /nfs/dbraw/zinc/57/27/59/889572759.db2.gz YKGYTFYXXOVYIX-INIZCTEOSA-N 1 0 412.359 4.242 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CCCC23CC[NH+](C)CC3)cc1OCC ZINC000475141094 890007227 /nfs/dbraw/zinc/00/72/27/890007227.db2.gz UOJXKJYWPCZRAL-UHFFFAOYSA-N 1 0 423.395 4.473 20 30 HIEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475897872 890828965 /nfs/dbraw/zinc/82/89/65/890828965.db2.gz GYMMYYMZOYXSMJ-UHFFFAOYSA-N 1 0 407.480 4.153 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)C(C)(C)c1ccccc1 ZINC000475978191 890894772 /nfs/dbraw/zinc/89/47/72/890894772.db2.gz QCVJCHIVKZRJGS-UHFFFAOYSA-N 1 0 412.603 4.132 20 30 HIEDRO C[C@@H]([NH2+]C1(CNC(=O)C[C@H](CC#N)c2ccccc2)CCOCC1)c1ccccc1 ZINC000476054917 890985599 /nfs/dbraw/zinc/98/55/99/890985599.db2.gz YKERGJOOPAXSOP-OFNKIYASSA-N 1 0 405.542 4.090 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000476942548 891883259 /nfs/dbraw/zinc/88/32/59/891883259.db2.gz MAQFHGFMVJZUOX-LJQANCHMSA-N 1 0 424.358 4.379 20 30 HIEDRO CC(C)(C)C1=CC[N@H+](CCNC(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000476944273 891884675 /nfs/dbraw/zinc/88/46/75/891884675.db2.gz QAAVYVHRFBTKID-UHFFFAOYSA-N 1 0 407.514 4.138 20 30 HIEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000477362589 892327318 /nfs/dbraw/zinc/32/73/18/892327318.db2.gz VYZONVNTDNXEBN-UHFFFAOYSA-N 1 0 419.525 4.068 20 30 HIEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CC1 ZINC000477456403 892418282 /nfs/dbraw/zinc/41/82/82/892418282.db2.gz FEDMPKIRQVJSSC-UHFFFAOYSA-N 1 0 404.695 4.192 20 30 HIEDRO Cc1c(Br)scc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000477498452 892502297 /nfs/dbraw/zinc/50/22/97/892502297.db2.gz IUUCVEDIFRYUTB-UHFFFAOYSA-N 1 0 418.360 4.107 20 30 HIEDRO N#Cc1cccc(OCCC[N@H+]2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)c1 ZINC000477759378 892849098 /nfs/dbraw/zinc/84/90/98/892849098.db2.gz BPCJUARGDJTCIK-IBGZPJMESA-N 1 0 406.461 4.396 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000477829131 892892743 /nfs/dbraw/zinc/89/27/43/892892743.db2.gz SDHZGUMJZZGBGZ-KRWDZBQOSA-N 1 0 410.493 4.272 20 30 HIEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000477863241 892920866 /nfs/dbraw/zinc/92/08/66/892920866.db2.gz NNGDKUDHIPFOOM-UHFFFAOYSA-N 1 0 415.459 4.152 20 30 HIEDRO Cc1ccc([C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000504988859 913734523 /nfs/dbraw/zinc/73/45/23/913734523.db2.gz PWCJCWZPANRGGD-DEOSSOPVSA-N 1 0 402.542 4.235 20 30 HIEDRO Cc1csc(-c2cccc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2)n1 ZINC000479215773 894477613 /nfs/dbraw/zinc/47/76/13/894477613.db2.gz MNTNTBXCPHZFJV-UHFFFAOYSA-N 1 0 416.550 4.407 20 30 HIEDRO N#CC1(NC(=O)C(c2ccccc2)c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479241535 894504844 /nfs/dbraw/zinc/50/48/44/894504844.db2.gz JBTVXGMZRUWRRW-UHFFFAOYSA-N 1 0 409.533 4.493 20 30 HIEDRO N#CC1(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000479288873 894568570 /nfs/dbraw/zinc/56/85/70/894568570.db2.gz YMTHNGQBHJLONS-QZTJIDSGSA-N 1 0 411.908 4.257 20 30 HIEDRO N#CC1(NC(=O)CCCc2nc3ccccc3s2)CC[NH+](Cc2ccccc2)CC1 ZINC000479313464 894601043 /nfs/dbraw/zinc/60/10/43/894601043.db2.gz NMOUYBMCFQYOIX-UHFFFAOYSA-N 1 0 418.566 4.294 20 30 HIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCCc4cc(Br)ccc43)C2=O)cc1 ZINC000479458919 894780164 /nfs/dbraw/zinc/78/01/64/894780164.db2.gz UYJGEZRYHXBQAJ-LEWJYISDSA-N 1 0 424.342 4.089 20 30 HIEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1ccccc1O2 ZINC000505284918 913942777 /nfs/dbraw/zinc/94/27/77/913942777.db2.gz ZYLAHHDAQDCCDF-OAQYLSRUSA-N 1 0 421.516 4.079 20 30 HIEDRO Cn1cc(C[NH2+]CCOc2ccc(C(F)(F)F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000479914603 895262009 /nfs/dbraw/zinc/26/20/09/895262009.db2.gz JCAGXGULOWZBQU-UHFFFAOYSA-N 1 0 400.404 4.146 20 30 HIEDRO COc1cc2c(cc1F)[nH+]ccc2N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000479970505 895325198 /nfs/dbraw/zinc/32/51/98/895325198.db2.gz WIQKQLPVNHKQNE-UHFFFAOYSA-N 1 0 404.445 4.109 20 30 HIEDRO CC(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000479976767 895329075 /nfs/dbraw/zinc/32/90/75/895329075.db2.gz GONSAAVTLZLCTR-RUZDIDTESA-N 1 0 413.569 4.131 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c1 ZINC000480046242 895394303 /nfs/dbraw/zinc/39/43/03/895394303.db2.gz SIKAROSRMBPEGR-HXUWFJFHSA-N 1 0 401.869 4.057 20 30 HIEDRO C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000480347118 895753492 /nfs/dbraw/zinc/75/34/92/895753492.db2.gz IUNOXDRDOBMPDG-BTYIYWSLSA-N 1 0 422.920 4.210 20 30 HIEDRO C[C@@H]1C[N@@H+](CCC2CCN(Cc3ccc(C#N)cc3Br)CC2)C[C@H](C)O1 ZINC000481032909 896360349 /nfs/dbraw/zinc/36/03/49/896360349.db2.gz JFEOFLPXDNZQPF-CALCHBBNSA-N 1 0 420.395 4.032 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000481180731 896520207 /nfs/dbraw/zinc/52/02/07/896520207.db2.gz XRLFYCCBHMUMOI-WMZHIEFXSA-N 1 0 424.976 4.087 20 30 HIEDRO CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CC(=O)Nc1ccccc1SCC#N ZINC000481462422 896855396 /nfs/dbraw/zinc/85/53/96/896855396.db2.gz XGUKLOSMQVNOFR-JLTOFOAXSA-N 1 0 403.935 4.260 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2F)c1 ZINC000481652575 897037972 /nfs/dbraw/zinc/03/79/72/897037972.db2.gz CXCCYKALIIKEIP-NHCUHLMSSA-N 1 0 408.477 4.025 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cc2F)c1 ZINC000481652574 897038580 /nfs/dbraw/zinc/03/85/80/897038580.db2.gz CXCCYKALIIKEIP-LEWJYISDSA-N 1 0 408.477 4.025 20 30 HIEDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000481659751 897043644 /nfs/dbraw/zinc/04/36/44/897043644.db2.gz JSCJXSANDUMYKE-FQEVSTJZSA-N 1 0 417.600 4.208 20 30 HIEDRO N#Cc1cccc(NC(=O)C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)c1 ZINC000481714330 897106333 /nfs/dbraw/zinc/10/63/33/897106333.db2.gz FXPYOULPBKSKLC-IBGZPJMESA-N 1 0 402.267 4.139 20 30 HIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)c1C#N ZINC000481737167 897131537 /nfs/dbraw/zinc/13/15/37/897131537.db2.gz OMHBPSWLCQVLCV-DHIUTWEWSA-N 1 0 422.573 4.147 20 30 HIEDRO COC(=O)c1ccc(-c2ccc(CN3CCO[C@@H](c4cccc(C#N)c4)C3)o2)cc1 ZINC000481982356 897375329 /nfs/dbraw/zinc/37/53/29/897375329.db2.gz FNYFIALWHUVWCO-HSZRJFAPSA-N 1 0 402.450 4.178 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C1CCCCC1)C(F)(F)F ZINC000482288325 897783463 /nfs/dbraw/zinc/78/34/63/897783463.db2.gz KLMJMQSXAAWPQF-LJQANCHMSA-N 1 0 410.484 4.143 20 30 HIEDRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000482661702 898264946 /nfs/dbraw/zinc/26/49/46/898264946.db2.gz JTLZZXREIXIQRE-LJQANCHMSA-N 1 0 424.504 4.025 20 30 HIEDRO C=CCN1CCC([NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C(C)C)CC1 ZINC000482782103 898390822 /nfs/dbraw/zinc/39/08/22/898390822.db2.gz ORULIVQMEQXQIM-UHFFFAOYSA-N 1 0 417.395 4.498 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@H](c1ccccc1)C(F)(F)F ZINC000482812086 898423090 /nfs/dbraw/zinc/42/30/90/898423090.db2.gz LDKPTSKCDFUMER-HXUWFJFHSA-N 1 0 403.448 4.185 20 30 HIEDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc(OC)c1OC ZINC000482876421 898490656 /nfs/dbraw/zinc/49/06/56/898490656.db2.gz OMEYYSBBFVIYBK-CRAIPNDOSA-N 1 0 413.493 4.043 20 30 HIEDRO CCCC[C@@](C)([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(Br)c1 ZINC000483088266 898773567 /nfs/dbraw/zinc/77/35/67/898773567.db2.gz KNCYZGXTIOPNMI-WOJBJXKFSA-N 1 0 406.368 4.253 20 30 HIEDRO COc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483343341 898975030 /nfs/dbraw/zinc/97/50/30/898975030.db2.gz ZDYSYQADCTVQOH-IFMALSPDSA-N 1 0 404.514 4.085 20 30 HIEDRO CS[C@@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C[C@H]1[NH+]1CCCC1 ZINC000483385018 899019630 /nfs/dbraw/zinc/01/96/30/899019630.db2.gz KQQQOAFVVOAPLQ-FYYLOGMGSA-N 1 0 421.566 4.311 20 30 HIEDRO CC(C)(C#N)c1ccc(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)cc1 ZINC000483812377 899490019 /nfs/dbraw/zinc/49/00/19/899490019.db2.gz DEODSSUWLMDMLY-UHFFFAOYSA-N 1 0 400.592 4.361 20 30 HIEDRO COc1ccccc1[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)[NH+]1CCCCC1 ZINC000484332243 899885171 /nfs/dbraw/zinc/88/51/71/899885171.db2.gz MOGBUEAXZUWIPK-JOCHJYFZSA-N 1 0 418.541 4.082 20 30 HIEDRO C=CC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)CC1CCCCC1 ZINC000484613771 900070836 /nfs/dbraw/zinc/07/08/36/900070836.db2.gz BSQQTZUQULQJJH-NRFANRHFSA-N 1 0 400.563 4.436 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1)CCCCC2 ZINC000484632940 900083449 /nfs/dbraw/zinc/08/34/49/900083449.db2.gz NPTNVRUEWSEZPP-MOPGFXCFSA-N 1 0 411.575 4.187 20 30 HIEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]C2(c3cc(C(F)(F)F)ccc3Cl)CC2)cc1 ZINC000484793161 900198825 /nfs/dbraw/zinc/19/88/25/900198825.db2.gz SQBZBXHBOCENPD-HNNXBMFYSA-N 1 0 410.823 4.249 20 30 HIEDRO CCCCn1ncc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C(C)C ZINC000485152591 900451619 /nfs/dbraw/zinc/45/16/19/900451619.db2.gz OQMBNDGXBDWGQC-UHFFFAOYSA-N 1 0 410.566 4.274 20 30 HIEDRO CC(C)c1c(NC(=O)N(CCC#N)CCC[NH+](C)C)cnn1-c1ccccc1Cl ZINC000485171018 900469272 /nfs/dbraw/zinc/46/92/72/900469272.db2.gz AZALMZBRXOTVBY-UHFFFAOYSA-N 1 0 416.957 4.348 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000485335662 900621693 /nfs/dbraw/zinc/62/16/93/900621693.db2.gz PEIFGSGUKKZMTB-AVCGJXAMSA-N 1 0 420.557 4.082 20 30 HIEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000485417308 900715813 /nfs/dbraw/zinc/71/58/13/900715813.db2.gz CJDJOWDLQOWMJO-HXUWFJFHSA-N 1 0 406.530 4.137 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[NH+](C2CCCCC2)CC1 ZINC000486246165 901429965 /nfs/dbraw/zinc/42/99/65/901429965.db2.gz ZJYOQRFEPQHIDL-KRWDZBQOSA-N 1 0 414.619 4.166 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000505910841 914554602 /nfs/dbraw/zinc/55/46/02/914554602.db2.gz DFTHIXHYXZCHSS-FPOVZHCZSA-N 1 0 421.541 4.457 20 30 HIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(-c4ccccc4F)s3)C2=O)cc1 ZINC000486882862 901929752 /nfs/dbraw/zinc/92/97/52/901929752.db2.gz QFSSCZJPUSXKSU-OAQYLSRUSA-N 1 0 405.498 4.317 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000505930676 914581933 /nfs/dbraw/zinc/58/19/33/914581933.db2.gz QQUHLPPHFPYTSV-PZJWPPBQSA-N 1 0 418.541 4.472 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000505930674 914583093 /nfs/dbraw/zinc/58/30/93/914583093.db2.gz QQUHLPPHFPYTSV-CTNGQTDRSA-N 1 0 418.541 4.472 20 30 HIEDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](Cc2ccccc2C(C)(C)C#N)C(C)C)cc1 ZINC000487384683 902174320 /nfs/dbraw/zinc/17/43/20/902174320.db2.gz AJWIMYYEEVSYHE-QFIPXVFZSA-N 1 0 423.557 4.096 20 30 HIEDRO COc1cccc([C@@H]2[C@@H](NC(=O)N[C@@H](CCC#N)c3ccccc3)CC[N@@H+]2C2CC2)c1 ZINC000487935034 902463896 /nfs/dbraw/zinc/46/38/96/902463896.db2.gz MANSBFXAKQMWLG-KMDXXIMOSA-N 1 0 418.541 4.317 20 30 HIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCc4c3ccc(Cl)c4Cl)C2=O)cc1 ZINC000488464565 902838579 /nfs/dbraw/zinc/83/85/79/902838579.db2.gz JYXJCLSGTNFQQG-OALUTQOASA-N 1 0 400.309 4.243 20 30 HIEDRO COc1ccc2oc([C@@H](C)[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c(C)c2c1 ZINC000488468933 902841086 /nfs/dbraw/zinc/84/10/86/902841086.db2.gz TWOCAZFHRFEFKU-IERDGZPVSA-N 1 0 403.482 4.073 20 30 HIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488496428 902854906 /nfs/dbraw/zinc/85/49/06/902854906.db2.gz KPOPSTTZUXITMT-IIBYNOLFSA-N 1 0 416.550 4.442 20 30 HIEDRO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)cc1 ZINC000488505394 902860889 /nfs/dbraw/zinc/86/08/89/902860889.db2.gz YRQFQOUGPKGKBT-VQTJNVASSA-N 1 0 412.331 4.163 20 30 HIEDRO C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488507682 902861795 /nfs/dbraw/zinc/86/17/95/902861795.db2.gz RHZVDTAPHUEPMJ-BWADLEKTSA-N 1 0 417.553 4.225 20 30 HIEDRO C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C(=O)NCCC[NH+](CC)CC)c(Cl)c1 ZINC000488928782 903081265 /nfs/dbraw/zinc/08/12/65/903081265.db2.gz HRGHBMLBRBVNOC-GOSISDBHSA-N 1 0 420.985 4.374 20 30 HIEDRO N#Cc1cccc(C2(NC(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)CC2)c1 ZINC000489249140 903286728 /nfs/dbraw/zinc/28/67/28/903286728.db2.gz NAIOKKCFCWMWJQ-UHFFFAOYSA-N 1 0 402.542 4.423 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)CC1 ZINC000489260655 903295488 /nfs/dbraw/zinc/29/54/88/903295488.db2.gz TXYRDNUUWGTDQN-UHFFFAOYSA-N 1 0 402.445 4.314 20 30 HIEDRO CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC1CCN(c2ccccn2)CC1 ZINC000490394147 903979463 /nfs/dbraw/zinc/97/94/63/903979463.db2.gz BOIHADUKAZEYNB-UHFFFAOYSA-N 1 0 414.557 4.092 20 30 HIEDRO Cn1cc(C[N@H+](CCCO)[C@H]2CCCc3ccccc32)c(-c2ccc(C#N)cc2)n1 ZINC000490570874 904108569 /nfs/dbraw/zinc/10/85/69/904108569.db2.gz RDSDXJQEAIGSDW-DEOSSOPVSA-N 1 0 400.526 4.221 20 30 HIEDRO C=CCN1CCC([NH2+][C@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491041268 904392153 /nfs/dbraw/zinc/39/21/53/904392153.db2.gz TYPCAZKLXSOOJI-JOCHJYFZSA-N 1 0 418.990 4.073 20 30 HIEDRO CCOc1cc2c(cc1OCC)CN(Cc1cn(C)nc1-c1ccc(C#N)cc1)CC2 ZINC000491136438 904447653 /nfs/dbraw/zinc/44/76/53/904447653.db2.gz GVTMCHLVSRIGPO-UHFFFAOYSA-N 1 0 416.525 4.314 20 30 HIEDRO C[C@@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000491227274 904491150 /nfs/dbraw/zinc/49/11/50/904491150.db2.gz AZURVCONDFJIFB-CJFMBICVSA-N 1 0 413.569 4.444 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c(F)c1 ZINC000506149223 914825243 /nfs/dbraw/zinc/82/52/43/914825243.db2.gz WUBIMASXVYJJEY-OAHLLOKOSA-N 1 0 403.383 4.138 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000492076867 904790777 /nfs/dbraw/zinc/79/07/77/904790777.db2.gz BHLCEMWRDMSYED-NZQKXSOJSA-N 1 0 404.514 4.004 20 30 HIEDRO Cn1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(-c2ccccc2Cl)n1 ZINC000506248285 914862251 /nfs/dbraw/zinc/86/22/51/914862251.db2.gz WGUBBIHYLZQUIN-UHFFFAOYSA-N 1 0 419.960 4.320 20 30 HIEDRO N#CCCN(Cc1ccco1)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000494025679 905365085 /nfs/dbraw/zinc/36/50/85/905365085.db2.gz DGDFOOQFNMPKDG-UHFFFAOYSA-N 1 0 423.517 4.042 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)c1cccc(F)c1 ZINC000494157125 905491914 /nfs/dbraw/zinc/49/19/14/905491914.db2.gz GEIHRORCYYVLBV-XMMPIXPASA-N 1 0 417.484 4.309 20 30 HIEDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000494327426 905638482 /nfs/dbraw/zinc/63/84/82/905638482.db2.gz QJEQSWKLXXXGAT-RTBURBONSA-N 1 0 409.530 4.218 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494445586 905731234 /nfs/dbraw/zinc/73/12/34/905731234.db2.gz JVTRRBJHWXWAFL-GESALYCCSA-N 1 0 404.297 4.312 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1C ZINC000494496767 905784268 /nfs/dbraw/zinc/78/42/68/905784268.db2.gz POWATZZVLIWKDW-NZQKXSOJSA-N 1 0 411.933 4.323 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)cc2)c1C ZINC000494496769 905784387 /nfs/dbraw/zinc/78/43/87/905784387.db2.gz POWATZZVLIWKDW-REWPJTCUSA-N 1 0 411.933 4.323 20 30 HIEDRO CC[N@H+](CCNC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F)CCC(F)(F)F ZINC000494638223 905877079 /nfs/dbraw/zinc/87/70/79/905877079.db2.gz UBPHKANVVWSDSJ-CYBMUJFWSA-N 1 0 403.342 4.003 20 30 HIEDRO CC[N@H+](CCNC(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F)CCC(F)(F)F ZINC000494637935 905877388 /nfs/dbraw/zinc/87/73/88/905877388.db2.gz OALBMZNUSHGLJZ-CYBMUJFWSA-N 1 0 421.332 4.142 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000495131411 906261134 /nfs/dbraw/zinc/26/11/34/906261134.db2.gz YSHFNWGRLAWPSQ-SFHVURJKSA-N 1 0 412.559 4.441 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000495563931 906504601 /nfs/dbraw/zinc/50/46/01/906504601.db2.gz RODXNXDXAWWIJH-GOSISDBHSA-N 1 0 416.562 4.128 20 30 HIEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000496027995 906599902 /nfs/dbraw/zinc/59/99/02/906599902.db2.gz JSCFLAVRKAXLKN-UHFFFAOYSA-N 1 0 413.521 4.341 20 30 HIEDRO N#Cc1ccccc1OCCN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000497584722 907067364 /nfs/dbraw/zinc/06/73/64/907067364.db2.gz ILHVLVNADOCENL-UHFFFAOYSA-N 1 0 403.448 4.164 20 30 HIEDRO CC[N@H+](CCN1c2cccc3cccc(c23)S1(=O)=O)[C@H](C)c1ccc(C#N)cc1 ZINC000497617690 907097293 /nfs/dbraw/zinc/09/72/93/907097293.db2.gz IKTUMRAEPLDWJX-QGZVFWFLSA-N 1 0 405.523 4.303 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000512710876 921294030 /nfs/dbraw/zinc/29/40/30/921294030.db2.gz BAUBCICPQNGDDQ-FPOVZHCZSA-N 1 0 424.589 4.275 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N(CC[NH+](CC)CC)Cc1cccs1 ZINC000512793075 921312236 /nfs/dbraw/zinc/31/22/36/921312236.db2.gz QMTHEDZASMGSBB-UHFFFAOYSA-N 1 0 400.548 4.394 20 30 HIEDRO C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000498547710 908010576 /nfs/dbraw/zinc/01/05/76/908010576.db2.gz HLIFYTLNNFTERL-DNQXCXABSA-N 1 0 405.542 4.371 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000499043093 908415746 /nfs/dbraw/zinc/41/57/46/908415746.db2.gz JYKLLUCNDXBKGO-WOJBJXKFSA-N 1 0 415.459 4.271 20 30 HIEDRO N#Cc1ccc(Cl)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000512916952 921410857 /nfs/dbraw/zinc/41/08/57/921410857.db2.gz NBZGSWDCYFCPPN-MRXNPFEDSA-N 1 0 407.823 4.235 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000499109043 908468467 /nfs/dbraw/zinc/46/84/67/908468467.db2.gz DBHAZTHBRWZCPE-ZJSXRUAMSA-N 1 0 423.605 4.462 20 30 HIEDRO Cc1nc(SCC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c(C#N)c(C)c1C ZINC000499476952 908810716 /nfs/dbraw/zinc/81/07/16/908810716.db2.gz YDTNXPSPJKJDBP-UHFFFAOYSA-N 1 0 422.598 4.094 20 30 HIEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000499598281 908852321 /nfs/dbraw/zinc/85/23/21/908852321.db2.gz GQJOSVLZOWZMDU-OAQYLSRUSA-N 1 0 420.395 4.228 20 30 HIEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@H]1C ZINC000499608365 908854917 /nfs/dbraw/zinc/85/49/17/908854917.db2.gz RJCPMFIGTGRQFI-RTBURBONSA-N 1 0 406.530 4.278 20 30 HIEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C[C@H]1C ZINC000499608318 908854938 /nfs/dbraw/zinc/85/49/38/908854938.db2.gz RARNYQJQKBFTPS-IAGOWNOFSA-N 1 0 408.502 4.306 20 30 HIEDRO CCC[C@H]1CN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC[N@@H+]1CCOC ZINC000499895435 909018817 /nfs/dbraw/zinc/01/88/17/909018817.db2.gz OOSLURBPDGFRDI-MSOLQXFVSA-N 1 0 404.580 4.045 20 30 HIEDRO CCC[C@@H]1CN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC[N@@H+]1CCOC ZINC000499895438 909019029 /nfs/dbraw/zinc/01/90/29/909019029.db2.gz OOSLURBPDGFRDI-ZWKOTPCHSA-N 1 0 404.580 4.045 20 30 HIEDRO C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1Cl ZINC000513007284 921471139 /nfs/dbraw/zinc/47/11/39/921471139.db2.gz MNJPZWVHGDQWSG-UHFFFAOYSA-N 1 0 403.885 4.207 20 30 HIEDRO C[NH+](C)CCCC1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000500153162 909629855 /nfs/dbraw/zinc/62/98/55/909629855.db2.gz YVXSPNFWUDVCKB-UHFFFAOYSA-N 1 0 405.542 4.331 20 30 HIEDRO N#Cc1cnc2ccccc2c1N1CCN(Cc2ccc(Br)cc2)CC1 ZINC000500611862 909965413 /nfs/dbraw/zinc/96/54/13/909965413.db2.gz UFCLTRRUEPXIEX-UHFFFAOYSA-N 1 0 407.315 4.191 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000500625833 909976243 /nfs/dbraw/zinc/97/62/43/909976243.db2.gz WCPKPBHFRYJDEM-LVCYWYKZSA-N 1 0 421.589 4.177 20 30 HIEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1cc(C#N)ccc1C(F)(F)F ZINC000500697564 910030240 /nfs/dbraw/zinc/03/02/40/910030240.db2.gz MMVIBBIDSAIERV-UHFFFAOYSA-N 1 0 408.512 4.210 20 30 HIEDRO N#Cc1ccc(CN2CCC[N@@H+](CCOc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000501195756 910359130 /nfs/dbraw/zinc/35/91/30/910359130.db2.gz CJWJQFGLZNGCDA-UHFFFAOYSA-N 1 0 403.448 4.164 20 30 HIEDRO N#Cc1csc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)c1 ZINC000513133937 921577071 /nfs/dbraw/zinc/57/70/71/921577071.db2.gz QVMJNDVSKZPJBG-UHFFFAOYSA-N 1 0 404.333 4.233 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)c1C#N ZINC000513204224 921621151 /nfs/dbraw/zinc/62/11/51/921621151.db2.gz CZGLRYYFMJVTLR-HNNXBMFYSA-N 1 0 404.518 4.257 20 30 HIEDRO CN1CC[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000502156805 911077222 /nfs/dbraw/zinc/07/72/22/911077222.db2.gz RVUSDDDYUORDLH-PKTZIBPZSA-N 1 0 422.479 4.081 20 30 HIEDRO Cc1cc(C)n(-c2ccc(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2)n1 ZINC000502213205 911157217 /nfs/dbraw/zinc/15/72/17/911157217.db2.gz ZXMHDYCARRGQIE-UHFFFAOYSA-N 1 0 413.525 4.212 20 30 HIEDRO Cc1ccc([C@H](CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[NH+]2CCCC2)o1 ZINC000502290577 911245043 /nfs/dbraw/zinc/24/50/43/911245043.db2.gz GAGJYKJFDBZIRB-QFIPXVFZSA-N 1 0 404.514 4.096 20 30 HIEDRO COc1ccc([C@@H](NC(=O)CN2CC=C(c3ccc(C#N)cc3)CC2)C(C)C)cc1 ZINC000502504596 911508709 /nfs/dbraw/zinc/50/87/09/911508709.db2.gz AJUDOWXGPCIASN-VWLOTQADSA-N 1 0 403.526 4.169 20 30 HIEDRO Cc1cc(F)cc([C@]2(F)CCN(Cc3cn(CCC#N)nc3-c3ccncc3)C2)c1 ZINC000503041838 912011412 /nfs/dbraw/zinc/01/14/12/912011412.db2.gz MPLXZMPNOZGRCF-QHCPKHFHSA-N 1 0 407.468 4.377 20 30 HIEDRO C=CCOc1c(Br)cc(CN(C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000506340427 914958233 /nfs/dbraw/zinc/95/82/33/914958233.db2.gz LYUJGBMNOGAEMB-UHFFFAOYSA-N 1 0 411.384 4.327 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CCC([NH+]3CCCC3)CC2)cc1OCC ZINC000506439148 915039734 /nfs/dbraw/zinc/03/97/34/915039734.db2.gz MSAUBPBUIJXLME-UHFFFAOYSA-N 1 0 423.395 4.473 20 30 HIEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506475118 915075054 /nfs/dbraw/zinc/07/50/54/915075054.db2.gz SKIQGNDBFGQHFO-NJDAHSKKSA-N 1 0 414.569 4.047 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(OC)ccc1Br)C(C)C ZINC000506511342 915134863 /nfs/dbraw/zinc/13/48/63/915134863.db2.gz JXYLWOUCUDPXIE-GOSISDBHSA-N 1 0 410.356 4.278 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000506560557 915206586 /nfs/dbraw/zinc/20/65/86/915206586.db2.gz HGWPEKZGMBVDAW-UXHICEINSA-N 1 0 416.997 4.173 20 30 HIEDRO CC(C)(CCC#N)C[NH+]1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000506669098 915345833 /nfs/dbraw/zinc/34/58/33/915345833.db2.gz OFISQZLJMWHNDS-UHFFFAOYSA-N 1 0 421.467 4.203 20 30 HIEDRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)cc1F ZINC000507139333 915886183 /nfs/dbraw/zinc/88/61/83/915886183.db2.gz AWXDYQDRJRIECB-UHFFFAOYSA-N 1 0 423.532 4.345 20 30 HIEDRO COc1ccccc1[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[NH+]1CCCCC1 ZINC000507163750 915903904 /nfs/dbraw/zinc/90/39/04/915903904.db2.gz ZYRVWMHJRCOWNC-QFIPXVFZSA-N 1 0 423.532 4.327 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)cc1OC(F)F ZINC000507423153 916195510 /nfs/dbraw/zinc/19/55/10/916195510.db2.gz QVXSXYRBYNSKDY-ACJLOTCBSA-N 1 0 403.404 4.145 20 30 HIEDRO COc1cc(OC)c([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1Cl ZINC000507448906 916220423 /nfs/dbraw/zinc/22/04/23/916220423.db2.gz LRTCTVQGYPJXSU-KUHUBIRLSA-N 1 0 413.905 4.075 20 30 HIEDRO Cc1sc(Br)c(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1C ZINC000507545967 916302309 /nfs/dbraw/zinc/30/23/09/916302309.db2.gz OBTOCUCHNOKKFG-UHFFFAOYSA-N 1 0 420.376 4.203 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(F)cc3Br)CC2)nc1 ZINC000507759146 916544280 /nfs/dbraw/zinc/54/42/80/916544280.db2.gz OQRMYKVABSMNRT-UHFFFAOYSA-N 1 0 404.283 4.335 20 30 HIEDRO CCOc1ccccc1CN1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@@H](C)C1 ZINC000508332324 917135513 /nfs/dbraw/zinc/13/55/13/917135513.db2.gz HLXNRPLOOHMURW-IBGZPJMESA-N 1 0 405.542 4.233 20 30 HIEDRO C=CCn1c(-c2ccccc2)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000508461372 917247234 /nfs/dbraw/zinc/24/72/34/917247234.db2.gz LLCWRQCRVODMGT-LJQANCHMSA-N 1 0 403.530 4.023 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508472161 917256461 /nfs/dbraw/zinc/25/64/61/917256461.db2.gz IWQYWVPCJLYKLB-NHCUHLMSSA-N 1 0 409.578 4.286 20 30 HIEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508498241 917282512 /nfs/dbraw/zinc/28/25/12/917282512.db2.gz QRSBOXBPVMOXLM-XXTHSBEZSA-N 1 0 421.589 4.053 20 30 HIEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508498239 917282678 /nfs/dbraw/zinc/28/26/78/917282678.db2.gz QRSBOXBPVMOXLM-KZKAQZJJSA-N 1 0 421.589 4.053 20 30 HIEDRO C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508498884 917283785 /nfs/dbraw/zinc/28/37/85/917283785.db2.gz VXPSRNJPCAXMLZ-AWEZNQCLSA-N 1 0 424.412 4.123 20 30 HIEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000508499254 917284293 /nfs/dbraw/zinc/28/42/93/917284293.db2.gz YPOOABAZVDCXKR-UHFFFAOYSA-N 1 0 420.605 4.415 20 30 HIEDRO C=CCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508714931 917477314 /nfs/dbraw/zinc/47/73/14/917477314.db2.gz MLNBIFZTLKEKHE-MRXNPFEDSA-N 1 0 418.383 4.062 20 30 HIEDRO C[C@H]([NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508719640 917481112 /nfs/dbraw/zinc/48/11/12/917481112.db2.gz LGNJJGDOKKDGQC-HLBVYFGSSA-N 1 0 404.558 4.143 20 30 HIEDRO C=CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000508789089 917546227 /nfs/dbraw/zinc/54/62/27/917546227.db2.gz GFZREYVNNTUUKO-QHCPKHFHSA-N 1 0 423.605 4.087 20 30 HIEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000508831355 917583553 /nfs/dbraw/zinc/58/35/53/917583553.db2.gz BUKJMAIYWQNEJJ-OAQYLSRUSA-N 1 0 404.562 4.095 20 30 HIEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508844727 917596641 /nfs/dbraw/zinc/59/66/41/917596641.db2.gz KPYDQNDPBBYQGW-PGRDOPGGSA-N 1 0 416.573 4.076 20 30 HIEDRO C=CCn1c(-c2cccnc2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC000508863184 917617020 /nfs/dbraw/zinc/61/70/20/917617020.db2.gz IWGUKZVILCALFY-QFIPXVFZSA-N 1 0 402.546 4.017 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508876784 917630757 /nfs/dbraw/zinc/63/07/57/917630757.db2.gz YSRQINRCCSURPT-NHCUHLMSSA-N 1 0 409.578 4.286 20 30 HIEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508884727 917637900 /nfs/dbraw/zinc/63/79/00/917637900.db2.gz JEFOICTZIIOZTD-IFMALSPDSA-N 1 0 421.589 4.113 20 30 HIEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508886591 917641911 /nfs/dbraw/zinc/64/19/11/917641911.db2.gz CEHMTBHAMMBPQT-SFHVURJKSA-N 1 0 413.541 4.198 20 30 HIEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000508888501 917643911 /nfs/dbraw/zinc/64/39/11/917643911.db2.gz NXUVKIGQQNOPRR-SFHVURJKSA-N 1 0 413.541 4.198 20 30 HIEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000508889096 917644361 /nfs/dbraw/zinc/64/43/61/917644361.db2.gz DEJUJNBVWBODEN-NTKDMRAZSA-N 1 0 402.542 4.357 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508916786 917674036 /nfs/dbraw/zinc/67/40/36/917674036.db2.gz IAGZYETWMDZJSL-MJGOQNOKSA-N 1 0 415.969 4.322 20 30 HIEDRO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508936650 917692980 /nfs/dbraw/zinc/69/29/80/917692980.db2.gz SLMLNAOAPRVTTQ-QRWLVFNGSA-N 1 0 415.944 4.377 20 30 HIEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508944125 917702213 /nfs/dbraw/zinc/70/22/13/917702213.db2.gz BHEKDRLIFBJEKQ-UHFFFAOYSA-N 1 0 409.578 4.115 20 30 HIEDRO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000508954818 917711945 /nfs/dbraw/zinc/71/19/45/917711945.db2.gz YNQFHLQQNHYDSS-OFNKIYASSA-N 1 0 421.589 4.233 20 30 HIEDRO C=CCn1c(COCC)nnc1N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000509009370 917763907 /nfs/dbraw/zinc/76/39/07/917763907.db2.gz BBXJMUSHUPTCQF-UHFFFAOYSA-N 1 0 409.578 4.026 20 30 HIEDRO C=CCSCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000509181348 917891608 /nfs/dbraw/zinc/89/16/08/917891608.db2.gz VZNRUVUJJZGEHX-SJLPKXTDSA-N 1 0 415.525 4.307 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCc3cc(F)ccc3C2)c1C#N ZINC000509416776 918077609 /nfs/dbraw/zinc/07/76/09/918077609.db2.gz CIRBXPNSMTYGDS-UHFFFAOYSA-N 1 0 420.488 4.144 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3C[C@H](C)[N@H+](C)C[C@@H]3C)sc2C1 ZINC000509462988 918113201 /nfs/dbraw/zinc/11/32/01/918113201.db2.gz JPBWTWKZAIEUHI-YESZJQIVSA-N 1 0 416.635 4.124 20 30 HIEDRO C[NH+]1CCC2(CCCN2C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000510138491 918696042 /nfs/dbraw/zinc/69/60/42/918696042.db2.gz CCPWMZRBDZEJPV-UHFFFAOYSA-N 1 0 422.504 4.368 20 30 HIEDRO N#C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccc(Cl)cc1 ZINC000510319246 918828209 /nfs/dbraw/zinc/82/82/09/918828209.db2.gz LRJMLWBKNFELHE-RBUKOAKNSA-N 1 0 403.860 4.178 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)c1 ZINC000510422569 918888723 /nfs/dbraw/zinc/88/87/23/918888723.db2.gz AVADSSRXBWCHKV-IFMALSPDSA-N 1 0 415.541 4.235 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000510504041 918952616 /nfs/dbraw/zinc/95/26/16/918952616.db2.gz WWGVXHRKLJXLGB-QFIPXVFZSA-N 1 0 424.520 4.064 20 30 HIEDRO C[C@H]1C[N@@H+](C2CCN(C(=O)Nc3ccc(Oc4ccccc4C#N)cc3)CC2)CCO1 ZINC000510694272 919132217 /nfs/dbraw/zinc/13/22/17/919132217.db2.gz WYDVIRKBVBCLNW-SFHVURJKSA-N 1 0 420.513 4.068 20 30 HIEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000510991188 919546561 /nfs/dbraw/zinc/54/65/61/919546561.db2.gz HBNFHZVRTWLVDX-UHFFFAOYSA-N 1 0 418.484 4.036 20 30 HIEDRO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000511095177 919699425 /nfs/dbraw/zinc/69/94/25/919699425.db2.gz JFFAVGYUUZUIMX-LJQANCHMSA-N 1 0 401.432 4.073 20 30 HIEDRO CC[N@@H+]1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)CC)C3)[C@@H](C)C1 ZINC000511608039 920258040 /nfs/dbraw/zinc/25/80/40/920258040.db2.gz ZKIYGDOIHTVLAT-DLBZAZTESA-N 1 0 416.635 4.125 20 30 HIEDRO C=CCc1cc(CN2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc(OC)c1O ZINC000511658658 920325168 /nfs/dbraw/zinc/32/51/68/920325168.db2.gz ZUHKACJZGCBDGG-UHFFFAOYSA-N 1 0 414.933 4.131 20 30 HIEDRO C=C(C)COc1cc(C[NH+]2CCC(NC(=O)Nc3ccccc3)CC2)ccc1OC ZINC000511745142 920422574 /nfs/dbraw/zinc/42/25/74/920422574.db2.gz YPFFVFLVERVYFB-UHFFFAOYSA-N 1 0 409.530 4.436 20 30 HIEDRO CC(C)(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1cc(F)cc(C#N)c1 ZINC000511775051 920462959 /nfs/dbraw/zinc/46/29/59/920462959.db2.gz GALRFWUAVLYTEW-NOTZXAQLSA-N 1 0 405.517 4.287 20 30 HIEDRO C=C1CC[NH+](Cc2ccc(OCC(=O)Nc3ccc(OCC)cc3)c(OC)c2)CC1 ZINC000513453972 921819247 /nfs/dbraw/zinc/81/92/47/921819247.db2.gz BRPMKMKPCZSCEG-UHFFFAOYSA-N 1 0 410.514 4.263 20 30 HIEDRO C=CCOc1ccc(CNC(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)cc1 ZINC000513600825 921934473 /nfs/dbraw/zinc/93/44/73/921934473.db2.gz JFLPJMZNUJCINI-UHFFFAOYSA-N 1 0 408.546 4.023 20 30 HIEDRO CCC1(CNC(=O)N(C)Cc2ccc(C#N)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000514018439 922342229 /nfs/dbraw/zinc/34/22/29/922342229.db2.gz SPZDWXGFOGSKIL-UHFFFAOYSA-N 1 0 404.558 4.392 20 30 HIEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000514229037 922565279 /nfs/dbraw/zinc/56/52/79/922565279.db2.gz NKZCUDGWVWARLV-IBGZPJMESA-N 1 0 408.521 4.284 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(F)(c3ccccc3C(F)(F)F)CC2)CC1 ZINC000514246067 922586600 /nfs/dbraw/zinc/58/66/00/922586600.db2.gz GWSIRXDXLYZFSW-UHFFFAOYSA-N 1 0 413.459 4.326 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCOc1c(C)cccc1C ZINC000514874274 922827233 /nfs/dbraw/zinc/82/72/33/922827233.db2.gz JUYIDMKLHQLNJZ-UHFFFAOYSA-N 1 0 400.592 4.280 20 30 HIEDRO C=CCn1c(SCC[NH+](C)C)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O ZINC000515363666 923066967 /nfs/dbraw/zinc/06/69/67/923066967.db2.gz BSMBOYCGPXPYOO-UHFFFAOYSA-N 1 0 403.548 4.412 20 30 HIEDRO C=CCN(Cc1ccccc1F)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000515805243 923361487 /nfs/dbraw/zinc/36/14/87/923361487.db2.gz UZBXRLJIRRPZDY-UHFFFAOYSA-N 1 0 424.564 4.044 20 30 HIEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000516009358 923500046 /nfs/dbraw/zinc/50/00/46/923500046.db2.gz ZZHIXYHOTGRIFC-XMMPIXPASA-N 1 0 405.542 4.051 20 30 HIEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000516081519 923535154 /nfs/dbraw/zinc/53/51/54/923535154.db2.gz PXYBXWGARSGHTG-UHFFFAOYSA-N 1 0 423.532 4.211 20 30 HIEDRO N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3CCC[N@H+](Cc4ccccc4)C3)s2)cc1 ZINC000516238906 923621790 /nfs/dbraw/zinc/62/17/90/923621790.db2.gz ILDRTWFVUNIWMZ-OAQYLSRUSA-N 1 0 416.550 4.456 20 30 HIEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517605393 926712972 /nfs/dbraw/zinc/71/29/72/926712972.db2.gz BJFNARDFXUEWMQ-NRFANRHFSA-N 1 0 419.569 4.177 20 30 HIEDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1 ZINC000517668637 926773984 /nfs/dbraw/zinc/77/39/84/926773984.db2.gz UHEPUTKTLPQSKC-UHFFFAOYSA-N 1 0 400.482 4.127 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000518022673 926962007 /nfs/dbraw/zinc/96/20/07/926962007.db2.gz OQSUPCSYHWUXIW-KRWDZBQOSA-N 1 0 424.520 4.089 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(NC(=O)c3ccccc3)ccc2C)CC1 ZINC000518515351 927319843 /nfs/dbraw/zinc/31/98/43/927319843.db2.gz XSMJBRPJOZGNQQ-UHFFFAOYSA-N 1 0 406.530 4.409 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)cc1 ZINC000518839268 927539883 /nfs/dbraw/zinc/53/98/83/927539883.db2.gz NXHVSPOAVPZGCU-LJQANCHMSA-N 1 0 420.557 4.388 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000520053246 928278448 /nfs/dbraw/zinc/27/84/48/928278448.db2.gz SROAQXIGXOJDTN-UHFFFAOYSA-N 1 0 408.546 4.374 20 30 HIEDRO CCc1cccc2c(C3CC[NH+](CC(=O)NCc4ccc(C#N)cc4)CC3)c[nH]c21 ZINC000520169111 928358329 /nfs/dbraw/zinc/35/83/29/928358329.db2.gz WNOUVSPNYNOLGJ-UHFFFAOYSA-N 1 0 400.526 4.098 20 30 HIEDRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000520246930 928415419 /nfs/dbraw/zinc/41/54/19/928415419.db2.gz JNOISYSGOXJQKN-HXUWFJFHSA-N 1 0 421.495 4.398 20 30 HIEDRO C=CCn1c2ccccc2nc1SCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000520330407 928494585 /nfs/dbraw/zinc/49/45/85/928494585.db2.gz ZZULDTZXJZVASY-UHFFFAOYSA-N 1 0 420.582 4.227 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCCCC[NH+]2CCCCC2)cc1C ZINC000520349520 928510997 /nfs/dbraw/zinc/51/09/97/928510997.db2.gz ANZXMPJEQVXGAS-UHFFFAOYSA-N 1 0 421.589 4.467 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C4CC4)c32)CC1 ZINC000520687014 928735372 /nfs/dbraw/zinc/73/53/72/928735372.db2.gz TXNLFVYLRHLIRN-UHFFFAOYSA-N 1 0 420.488 4.287 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1C#N ZINC000520899428 928866893 /nfs/dbraw/zinc/86/68/93/928866893.db2.gz ZEKCOFKKTOAELB-IRLDBZIGSA-N 1 0 418.541 4.331 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1)C1CC1 ZINC000520992901 928909600 /nfs/dbraw/zinc/90/96/00/928909600.db2.gz VQBLPPZHGHNRDH-OAQYLSRUSA-N 1 0 420.532 4.080 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2cccc(Cl)c2)CC1 ZINC000524800396 929834362 /nfs/dbraw/zinc/83/43/62/929834362.db2.gz QJTFZGYWEHFFAA-UHFFFAOYSA-N 1 0 410.949 4.017 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000525244373 930103036 /nfs/dbraw/zinc/10/30/36/930103036.db2.gz PBQLGKVFKBUGCC-OALUTQOASA-N 1 0 409.530 4.468 20 30 HIEDRO CC[NH+](CC)CCOC1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000525287337 930134748 /nfs/dbraw/zinc/13/47/48/930134748.db2.gz DPCSQCQKKJHVDK-UHFFFAOYSA-N 1 0 404.554 4.049 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)cc1OC ZINC000525708812 930412316 /nfs/dbraw/zinc/41/23/16/930412316.db2.gz CONLHVWPWKXMOT-NIKGAXFTSA-N 1 0 410.352 4.316 20 30 HIEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@@H]1c1ccccc1 ZINC000530515689 930733926 /nfs/dbraw/zinc/73/39/26/930733926.db2.gz KFBHIPIITCUYOM-HKUYNNGSSA-N 1 0 418.419 4.066 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2CCN(c3cc[nH+]cc3C)CC2)cc1 ZINC000531217211 930970227 /nfs/dbraw/zinc/97/02/27/930970227.db2.gz JEIRCOGHGIPCBR-UHFFFAOYSA-N 1 0 418.541 4.059 20 30 HIEDRO COc1ccccc1[C@H]1CC[N@H+](CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C1 ZINC000531587403 931110093 /nfs/dbraw/zinc/11/00/93/931110093.db2.gz FCDVMVHJXOJUFR-SFHVURJKSA-N 1 0 411.933 4.393 20 30 HIEDRO CCOc1ccc([C@H](C)NC(=O)C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)cc1OC ZINC000531642822 931136843 /nfs/dbraw/zinc/13/68/43/931136843.db2.gz NJZGGLWMTFOMCJ-ROUUACIJSA-N 1 0 409.530 4.226 20 30 HIEDRO COc1cc(C)c([C@H](C)NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1OC ZINC000532155467 931330833 /nfs/dbraw/zinc/33/08/33/931330833.db2.gz JVNZHSYUIOJLJO-IBGZPJMESA-N 1 0 423.557 4.219 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3cnn(CC(F)(F)F)c3)c2)c1 ZINC000532427872 931431357 /nfs/dbraw/zinc/43/13/57/931431357.db2.gz LKCZOIWJSAVQJG-UHFFFAOYSA-N 1 0 400.404 4.186 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1Cl ZINC000532519514 931472450 /nfs/dbraw/zinc/47/24/50/931472450.db2.gz AKUFIXACTNDJBA-LJQANCHMSA-N 1 0 411.889 4.149 20 30 HIEDRO CC[C@@H](C)[C@H]([NH2+]Cc1ccc(C#N)cc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000532569222 931529991 /nfs/dbraw/zinc/52/99/91/931529991.db2.gz ROOVANSWVAFPGV-HXOBKFHXSA-N 1 0 408.521 4.441 20 30 HIEDRO N#Cc1ccc(C[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)c(F)c1 ZINC000532569943 931531425 /nfs/dbraw/zinc/53/14/25/931531425.db2.gz ZKCCNZPVFIHIHT-UHFFFAOYSA-N 1 0 402.311 4.214 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000532973844 931722507 /nfs/dbraw/zinc/72/25/07/931722507.db2.gz UCVQASLBHPRZSX-QZTJIDSGSA-N 1 0 414.619 4.166 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCOc2ncccc2C(F)(F)F)c(-c2ccccc2)n1 ZINC000533007799 931733744 /nfs/dbraw/zinc/73/37/44/931733744.db2.gz ZIWXNFUAXCQMKL-UHFFFAOYSA-N 1 0 415.419 4.046 20 30 HIEDRO N#Cc1cccc(OCCC[NH2+]C2(c3cccc(Br)c3)CCOCC2)c1 ZINC000533348871 931845228 /nfs/dbraw/zinc/84/52/28/931845228.db2.gz ZMDQMADJGGFFHP-UHFFFAOYSA-N 1 0 415.331 4.385 20 30 HIEDRO C=CCCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000533436171 931868599 /nfs/dbraw/zinc/86/85/99/931868599.db2.gz FKUSQBFTEWRTHR-NSHDSACASA-N 1 0 404.146 4.437 20 30 HIEDRO CC(C)(CO)[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccccc1 ZINC000533466857 931876501 /nfs/dbraw/zinc/87/65/01/931876501.db2.gz SBACWLAPAIVDOF-HSZRJFAPSA-N 1 0 402.542 4.356 20 30 HIEDRO CC(C)(C)[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(F)cc1 ZINC000533486850 931882587 /nfs/dbraw/zinc/88/25/87/931882587.db2.gz DVFLKVDEYBREBR-OAQYLSRUSA-N 1 0 405.477 4.199 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1C ZINC000533524171 931893673 /nfs/dbraw/zinc/89/36/73/931893673.db2.gz FSOMEZZIZFUDJB-UHFFFAOYSA-N 1 0 415.541 4.306 20 30 HIEDRO C[C@@H](Sc1ccc(C#N)cc1Cl)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000533635663 931937774 /nfs/dbraw/zinc/93/77/74/931937774.db2.gz GNGXLJULNZGLSE-MRXNPFEDSA-N 1 0 413.974 4.473 20 30 HIEDRO COc1cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000533670789 931960898 /nfs/dbraw/zinc/96/08/98/931960898.db2.gz WMPBRNTZSMGPID-QHCPKHFHSA-N 1 0 406.526 4.394 20 30 HIEDRO COc1cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000533670785 931961069 /nfs/dbraw/zinc/96/10/69/931961069.db2.gz WMPBRNTZSMGPID-HSZRJFAPSA-N 1 0 406.526 4.394 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)Cc1ccccc1 ZINC000533812668 932043062 /nfs/dbraw/zinc/04/30/62/932043062.db2.gz KSHSUZHYKSFVHR-QHCPKHFHSA-N 1 0 413.521 4.448 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)Cc1ccccc1 ZINC000533813115 932043296 /nfs/dbraw/zinc/04/32/96/932043296.db2.gz CCPCQIACTWANMF-XMMPIXPASA-N 1 0 413.521 4.040 20 30 HIEDRO C[N@@H+]1CC[C@@H](CNC(=O)CSc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534222185 932342145 /nfs/dbraw/zinc/34/21/45/932342145.db2.gz RFLOOKWBLHLXGX-HRAATJIYSA-N 1 0 417.937 4.252 20 30 HIEDRO C[C@H]([NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1)c1ccc(C#N)cc1 ZINC000537297571 933703691 /nfs/dbraw/zinc/70/36/91/933703691.db2.gz WVZJDDCHXUSRDO-XFQAVAEZSA-N 1 0 401.913 4.463 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCN(c4ccc(Cl)c(F)c4)C3)CC2)cc1 ZINC000537307135 933707653 /nfs/dbraw/zinc/70/76/53/933707653.db2.gz LSHXWOILCPONLS-FQEVSTJZSA-N 1 0 412.940 4.184 20 30 HIEDRO COc1ccc(C[NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)cc1OCCCC#N ZINC000537342983 933726385 /nfs/dbraw/zinc/72/63/85/933726385.db2.gz IXTGJBFKXDDVCY-UGKGYDQZSA-N 1 0 402.441 4.276 20 30 HIEDRO N#Cc1cc(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)ccc1Cl ZINC000537587266 938329402 /nfs/dbraw/zinc/32/94/02/938329402.db2.gz RDFOZHHWLMCYAN-UHFFFAOYSA-N 1 0 418.324 4.138 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)[C@@H](C)c2cccnc2)c1C#N ZINC000537900748 938404957 /nfs/dbraw/zinc/40/49/57/938404957.db2.gz SAQRBVXSHAHCOM-SFHVURJKSA-N 1 0 405.502 4.035 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Cl)c(OCCOC)c(Cl)c2)CC1 ZINC000538031935 938473579 /nfs/dbraw/zinc/47/35/79/938473579.db2.gz MNRBWOXROAUIBT-UHFFFAOYSA-N 1 0 416.349 4.181 20 30 HIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000538129180 938514129 /nfs/dbraw/zinc/51/41/29/938514129.db2.gz XMFKNDZUWHQPFV-MOPGFXCFSA-N 1 0 406.530 4.248 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cccn2)cc1 ZINC000538234925 938568761 /nfs/dbraw/zinc/56/87/61/938568761.db2.gz MEOAPICDOSETIO-ROUUACIJSA-N 1 0 419.554 4.413 20 30 HIEDRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)cnn1-c1ccc(F)cc1 ZINC000538264740 938578662 /nfs/dbraw/zinc/57/86/62/938578662.db2.gz WKNLHJUUVIGEEA-CYBMUJFWSA-N 1 0 411.868 4.134 20 30 HIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000538266819 938579015 /nfs/dbraw/zinc/57/90/15/938579015.db2.gz MKOTXHDQTDWURB-FQEVSTJZSA-N 1 0 415.541 4.395 20 30 HIEDRO C[C@@H]([NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cccc(C#N)c1 ZINC000538395564 938610562 /nfs/dbraw/zinc/61/05/62/938610562.db2.gz PHRDJXKYSWITSH-IERDGZPVSA-N 1 0 403.448 4.301 20 30 HIEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000538398397 938611242 /nfs/dbraw/zinc/61/12/42/938611242.db2.gz ORKKWTMAGBXNGT-SFHVURJKSA-N 1 0 417.557 4.157 20 30 HIEDRO C[C@H]1C[NH+](Cc2cccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2)C[C@H](C)O1 ZINC000538591106 938657184 /nfs/dbraw/zinc/65/71/84/938657184.db2.gz XPAFBPPADITUQP-SFTDATJTSA-N 1 0 418.585 4.244 20 30 HIEDRO N#Cc1ccsc1C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000538931342 938740050 /nfs/dbraw/zinc/74/00/50/938740050.db2.gz HXSNHXDHYOSKTA-UHFFFAOYSA-N 1 0 416.550 4.237 20 30 HIEDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000539079153 938797372 /nfs/dbraw/zinc/79/73/72/938797372.db2.gz LIJPPPIHOHRQGZ-BWDFOLQRSA-N 1 0 407.514 4.264 20 30 HIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)c1 ZINC000539233100 938822671 /nfs/dbraw/zinc/82/26/71/938822671.db2.gz MJRHQNPHVDMYIR-INIZCTEOSA-N 1 0 421.545 4.339 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000539255304 938827622 /nfs/dbraw/zinc/82/76/22/938827622.db2.gz IMIRYCYFVKDIDA-IBGZPJMESA-N 1 0 418.541 4.249 20 30 HIEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccc2c(c1)OCCO2 ZINC000539276835 938831876 /nfs/dbraw/zinc/83/18/76/938831876.db2.gz LBZYLDLAJXFCIQ-OAQYLSRUSA-N 1 0 407.514 4.062 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)c1 ZINC000539334434 938843532 /nfs/dbraw/zinc/84/35/32/938843532.db2.gz WTWXSBZINNSRGE-URXFXBBRSA-N 1 0 405.542 4.308 20 30 HIEDRO CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000539457636 938863536 /nfs/dbraw/zinc/86/35/36/938863536.db2.gz GNDYVJKMZWZTSP-NHCUHLMSSA-N 1 0 417.985 4.013 20 30 HIEDRO CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000539457637 938863588 /nfs/dbraw/zinc/86/35/88/938863588.db2.gz GNDYVJKMZWZTSP-RTWAWAEBSA-N 1 0 417.985 4.013 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000563639346 945228937 /nfs/dbraw/zinc/22/89/37/945228937.db2.gz AGSSANUHWQAJFM-GOSISDBHSA-N 1 0 416.997 4.199 20 30 HIEDRO C[C@@H]([NH2+][C@H](CCC#N)c1ccccc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000540152523 939093280 /nfs/dbraw/zinc/09/32/80/939093280.db2.gz JFXBUDKDBWWINH-WZONZLPQSA-N 1 0 423.538 4.454 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000540365252 939211807 /nfs/dbraw/zinc/21/18/07/939211807.db2.gz JHNSFLGEKFFKHZ-QGZVFWFLSA-N 1 0 403.457 4.457 20 30 HIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000540376079 939216014 /nfs/dbraw/zinc/21/60/14/939216014.db2.gz ODPHYJQKRBEZJX-CQSZACIVSA-N 1 0 412.515 4.476 20 30 HIEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000540378729 939219415 /nfs/dbraw/zinc/21/94/15/939219415.db2.gz CMFQMXRWECBSBU-QGZVFWFLSA-N 1 0 404.333 4.452 20 30 HIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+]C2(c3cccc(F)c3)CC2)c1C#N ZINC000540390317 939228774 /nfs/dbraw/zinc/22/87/74/939228774.db2.gz MWMVUHHHHVEPJJ-UHFFFAOYSA-N 1 0 416.500 4.381 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000540476628 939268174 /nfs/dbraw/zinc/26/81/74/939268174.db2.gz IPRZQTYLDVMRJG-UXHICEINSA-N 1 0 420.557 4.281 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](Cc2ccccc2)CC(C)(C)O)c1C#N ZINC000540522468 939286503 /nfs/dbraw/zinc/28/65/03/939286503.db2.gz ROWWXINMAIAUEF-UHFFFAOYSA-N 1 0 422.573 4.303 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3ccc(F)c(Br)c3)CC2)cc1 ZINC000540592473 939313429 /nfs/dbraw/zinc/31/34/29/939313429.db2.gz SYWKHCXZYNXKPL-UHFFFAOYSA-N 1 0 416.338 4.257 20 30 HIEDRO C[C@H]([NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc(C#N)cc1 ZINC000540595092 939314239 /nfs/dbraw/zinc/31/42/39/939314239.db2.gz UODQQVWJZBFHFZ-HRAATJIYSA-N 1 0 403.448 4.301 20 30 HIEDRO COC(=O)[C@@H](C)Oc1ccc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000540809626 939379673 /nfs/dbraw/zinc/37/96/73/939379673.db2.gz RAJMIDAKZJPNMQ-GOSISDBHSA-N 1 0 400.478 4.455 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(C)n(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000540831482 939388131 /nfs/dbraw/zinc/38/81/31/939388131.db2.gz WZCZIWMEXNPZGC-UHFFFAOYSA-N 1 0 408.333 4.259 20 30 HIEDRO C[C@H]([NH2+]CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541083988 939453859 /nfs/dbraw/zinc/45/38/59/939453859.db2.gz DLICBNAYJUESKY-KRWDZBQOSA-N 1 0 414.465 4.447 20 30 HIEDRO C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541126007 939469853 /nfs/dbraw/zinc/46/98/53/939469853.db2.gz SPYAVBUPZBDEMA-VAMGGRTRSA-N 1 0 420.557 4.085 20 30 HIEDRO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541159256 939480752 /nfs/dbraw/zinc/48/07/52/939480752.db2.gz WVQNRGZBASBRAB-GKVQRAMASA-N 1 0 402.542 4.412 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000541202445 939485394 /nfs/dbraw/zinc/48/53/94/939485394.db2.gz KLVSXXATYYAVQY-LJQANCHMSA-N 1 0 400.592 4.040 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccc(Br)s2)CC1 ZINC000541325831 939490972 /nfs/dbraw/zinc/49/09/72/939490972.db2.gz RUBLAZMJGAJRSI-OAHLLOKOSA-N 1 0 412.397 4.398 20 30 HIEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@H](C)c2cnn(C(C)C)c2)c1C#N ZINC000541646086 939585341 /nfs/dbraw/zinc/58/53/41/939585341.db2.gz WCPOVRMKODHHEZ-MRXNPFEDSA-N 1 0 422.508 4.172 20 30 HIEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000541659614 939591958 /nfs/dbraw/zinc/59/19/58/939591958.db2.gz JNSZQUUCIYJMJN-KBPBESRZSA-N 1 0 404.967 4.431 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CCO[C@H](c2ccc(F)cc2)C1)C(C)C ZINC000541787482 939630382 /nfs/dbraw/zinc/63/03/82/939630382.db2.gz QRNUECDVCDVQHW-ZRBLBEILSA-N 1 0 417.569 4.386 20 30 HIEDRO Cc1nn(C)c(C)c1NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542004085 939680302 /nfs/dbraw/zinc/68/03/02/939680302.db2.gz CFWJCPQDRGFGFT-DOTOQJQBSA-N 1 0 401.514 4.253 20 30 HIEDRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)c1 ZINC000542033901 939693654 /nfs/dbraw/zinc/69/36/54/939693654.db2.gz UZYDTHIPTKLCTQ-UHFFFAOYSA-N 1 0 420.492 4.047 20 30 HIEDRO N#CCc1ccc(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000542254150 939773381 /nfs/dbraw/zinc/77/33/81/939773381.db2.gz PASNPHFZEOPZFN-HXUWFJFHSA-N 1 0 401.432 4.225 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@H+](C)CCc2ccccc2O)cc1OC ZINC000542483111 939831275 /nfs/dbraw/zinc/83/12/75/939831275.db2.gz XVBHSGSPYPBKSH-UHFFFAOYSA-N 1 0 406.320 4.403 20 30 HIEDRO CCc1ccc([C@@H](COC)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)o1 ZINC000542557493 939843315 /nfs/dbraw/zinc/84/33/15/939843315.db2.gz QEBPHSAEKJDKPF-GOSISDBHSA-N 1 0 415.559 4.350 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1Oc2ccccc2[C@H]1C ZINC000542617565 939849040 /nfs/dbraw/zinc/84/90/40/939849040.db2.gz BXQPREJIADQMNZ-GTQRCTGISA-N 1 0 409.555 4.370 20 30 HIEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542942463 939882975 /nfs/dbraw/zinc/88/29/75/939882975.db2.gz QHQYYNGKYXGYAV-HTAPYJJXSA-N 1 0 416.477 4.044 20 30 HIEDRO COc1cccc(COC[C@H](O)C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000542944687 939883326 /nfs/dbraw/zinc/88/33/26/939883326.db2.gz DFQDUDCIULPWNF-KBMIEXCESA-N 1 0 416.521 4.462 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)c1ccccc1 ZINC000542955805 939885478 /nfs/dbraw/zinc/88/54/78/939885478.db2.gz NNXPSEJLAQZKPP-OAQYLSRUSA-N 1 0 420.492 4.088 20 30 HIEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000542964156 939887264 /nfs/dbraw/zinc/88/72/64/939887264.db2.gz GZHUJSGZKDUUIC-INIZCTEOSA-N 1 0 414.941 4.031 20 30 HIEDRO CCc1cnccc1[C@@H](C)[NH2+]CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000543051621 939909398 /nfs/dbraw/zinc/90/93/98/939909398.db2.gz IJZLXAVJDFDQHE-QGZVFWFLSA-N 1 0 419.529 4.255 20 30 HIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@H](Cc2ccc(C(F)(F)F)cc2)C(N)=O)cc1 ZINC000543138098 939965879 /nfs/dbraw/zinc/96/58/79/939965879.db2.gz GKFBZSJIFSFAFA-JOCHJYFZSA-N 1 0 423.438 4.430 20 30 HIEDRO N#Cc1cnn2c1NC[C@@H](C[NH2+][C@H](c1ccc(Cl)cc1)c1ccccc1Cl)C2 ZINC000563756472 945285753 /nfs/dbraw/zinc/28/57/53/945285753.db2.gz VWEWMOLVAWFDBW-JLTOFOAXSA-N 1 0 412.324 4.482 20 30 HIEDRO COc1ccc([C@@H](C[NH+]2CCCC2)Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)cc1 ZINC000543437080 940063809 /nfs/dbraw/zinc/06/38/09/940063809.db2.gz PZPJYUAWYCRIIT-JOCHJYFZSA-N 1 0 417.469 4.272 20 30 HIEDRO N#Cc1cc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)ccc1Cl ZINC000543464326 940072444 /nfs/dbraw/zinc/07/24/44/940072444.db2.gz IAJFCFIMWOOAKP-UHFFFAOYSA-N 1 0 410.905 4.278 20 30 HIEDRO C[C@@H]1CN(Cc2ccccc2NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000543759033 940177214 /nfs/dbraw/zinc/17/72/14/940177214.db2.gz WMDINOCLTZAFON-NHCUHLMSSA-N 1 0 418.585 4.244 20 30 HIEDRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1 ZINC000543767363 940180385 /nfs/dbraw/zinc/18/03/85/940180385.db2.gz CXTKPLTUOXNNOE-UHFFFAOYSA-N 1 0 420.492 4.047 20 30 HIEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1nc(-c2ccncc2)cs1 ZINC000543768801 940181040 /nfs/dbraw/zinc/18/10/40/940181040.db2.gz ZZEWIYAPLMMMJX-QGZVFWFLSA-N 1 0 403.555 4.392 20 30 HIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000543809963 940193342 /nfs/dbraw/zinc/19/33/42/940193342.db2.gz SZKTYOOEDSOLEX-GJZGRUSLSA-N 1 0 419.554 4.280 20 30 HIEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000544894624 940522608 /nfs/dbraw/zinc/52/26/08/940522608.db2.gz TZEMJCGBSLEGTB-IBGZPJMESA-N 1 0 422.598 4.033 20 30 HIEDRO Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)c3ccc(C#N)cc3F)nc12 ZINC000546227160 940735410 /nfs/dbraw/zinc/73/54/10/940735410.db2.gz BZXDQKPHSJWNFF-CYBMUJFWSA-N 1 0 401.283 4.309 20 30 HIEDRO Cn1ccc([C@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccc(Cl)cc2)n1 ZINC000546575261 940856214 /nfs/dbraw/zinc/85/62/14/940856214.db2.gz KDWFURMTBVFING-XMMPIXPASA-N 1 0 419.960 4.289 20 30 HIEDRO COc1c(Br)cc(CNc2cc(CC#N)ccn2)cc1Br ZINC000546634202 940863166 /nfs/dbraw/zinc/86/31/66/940863166.db2.gz SJEJLAQJZGJCBT-UHFFFAOYSA-N 1 0 411.097 4.293 20 30 HIEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccc(Br)cc2)c(OC)c1 ZINC000546666424 940867190 /nfs/dbraw/zinc/86/71/90/940867190.db2.gz UOBXPZNJPARMLG-SFHVURJKSA-N 1 0 406.320 4.063 20 30 HIEDRO CC[NH+](CC)CCOc1ccccc1-c1noc([C@H](C)Oc2ccc(C#N)cc2)n1 ZINC000547006284 940953185 /nfs/dbraw/zinc/95/31/85/940953185.db2.gz YGWPSHPJCDUTPY-KRWDZBQOSA-N 1 0 406.486 4.469 20 30 HIEDRO COc1cc(C#N)ccc1NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000547415090 941061479 /nfs/dbraw/zinc/06/14/79/941061479.db2.gz BWCNZEOEDKZOCR-UHFFFAOYSA-N 1 0 420.435 4.181 20 30 HIEDRO N#Cc1cc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)ccc1F ZINC000548420399 941101884 /nfs/dbraw/zinc/10/18/84/941101884.db2.gz XMQZPXIDHDJDJY-KRWDZBQOSA-N 1 0 419.422 4.224 20 30 HIEDRO COc1ccc(-c2nc(NC(=O)C[NH2+][C@H](C)c3ccc(C#N)cc3)sc2C)cc1 ZINC000548936356 941130928 /nfs/dbraw/zinc/13/09/28/941130928.db2.gz QEPWINSAPAKEPK-CQSZACIVSA-N 1 0 406.511 4.288 20 30 HIEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000549273190 941175996 /nfs/dbraw/zinc/17/59/96/941175996.db2.gz VLTFWQMGNGWHTI-SIKLNZKXSA-N 1 0 409.553 4.037 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000549291035 941177367 /nfs/dbraw/zinc/17/73/67/941177367.db2.gz AIWWULOILFATSA-GOSISDBHSA-N 1 0 417.985 4.255 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000549298533 941178109 /nfs/dbraw/zinc/17/81/09/941178109.db2.gz WYYJWBUEWVCHHN-NRFANRHFSA-N 1 0 411.594 4.218 20 30 HIEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000549375644 941183766 /nfs/dbraw/zinc/18/37/66/941183766.db2.gz BWAMLZHELVAKPG-UHFFFAOYSA-N 1 0 414.557 4.185 20 30 HIEDRO C[NH+]1CCC(C#N)(NC(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000549605316 941201058 /nfs/dbraw/zinc/20/10/58/941201058.db2.gz CWEHKYMDMVXLON-OAQYLSRUSA-N 1 0 413.974 4.267 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000549689294 941204596 /nfs/dbraw/zinc/20/45/96/941204596.db2.gz ZOVPCEGIMUOPJL-JOCHJYFZSA-N 1 0 423.605 4.362 20 30 HIEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000549690650 941204663 /nfs/dbraw/zinc/20/46/63/941204663.db2.gz IFBCUOQHXBKOKA-LEWJYISDSA-N 1 0 408.594 4.315 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H](C(C)C)C2(CO)CCC2)c1C#N ZINC000550100458 941284562 /nfs/dbraw/zinc/28/45/62/941284562.db2.gz CTDWPAOIHIVIHB-JOCHJYFZSA-N 1 0 414.594 4.197 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)sc2c1CCC2 ZINC000550393510 941321440 /nfs/dbraw/zinc/32/14/40/941321440.db2.gz NVQALNZIDGEGPR-INIZCTEOSA-N 1 0 415.946 4.244 20 30 HIEDRO N#Cc1cccc(C2([NH2+]CC(=O)N3CCc4sccc4[C@H]3c3ccccc3)CC2)c1 ZINC000551708047 941530918 /nfs/dbraw/zinc/53/09/18/941530918.db2.gz FHURSXYVQDIZEO-XMMPIXPASA-N 1 0 413.546 4.373 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCCN(Cc4c(F)cccc4F)C3)CC2)cc1 ZINC000552043989 941572603 /nfs/dbraw/zinc/57/26/03/941572603.db2.gz JTVLQIVYGMNDHI-FQEVSTJZSA-N 1 0 410.512 4.059 20 30 HIEDRO C[C@@H]([NH2+]CCn1cnc(C#N)n1)c1ccc(Oc2ccc(Br)cc2)cc1 ZINC000552099715 941585380 /nfs/dbraw/zinc/58/53/80/941585380.db2.gz RARHAMJBZMOJIE-CQSZACIVSA-N 1 0 412.291 4.055 20 30 HIEDRO COc1ccc(C)cc1C1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCOCC1 ZINC000552249860 941613934 /nfs/dbraw/zinc/61/39/34/941613934.db2.gz NAECTZHJSYHLOU-UHFFFAOYSA-N 1 0 419.569 4.182 20 30 HIEDRO C=CCc1cc(C[N@H+](C)[C@H](CO)c2cccc(Br)c2)cc(OC)c1O ZINC000552305242 941628461 /nfs/dbraw/zinc/62/84/61/941628461.db2.gz CGTARALWIPTMGF-GOSISDBHSA-N 1 0 406.320 4.057 20 30 HIEDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1ccccc1Oc1ccccc1C#N ZINC000552360515 941644037 /nfs/dbraw/zinc/64/40/37/941644037.db2.gz IYQXNGGPXCGBLR-UHFFFAOYSA-N 1 0 414.509 4.340 20 30 HIEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000552410135 941661387 /nfs/dbraw/zinc/66/13/87/941661387.db2.gz MAPPGRKOBUDFCM-UHFFFAOYSA-N 1 0 408.521 4.135 20 30 HIEDRO CC1CC[NH+](C[C@H]2CCCN(c3c(C#N)cnc4c(F)c(F)c(F)cc43)C2)CC1 ZINC000552998164 941813319 /nfs/dbraw/zinc/81/33/19/941813319.db2.gz VBOBORQDGARVRL-OAHLLOKOSA-N 1 0 402.464 4.472 20 30 HIEDRO N#Cc1cc(Cl)cc(Br)c1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000553151003 941841106 /nfs/dbraw/zinc/84/11/06/941841106.db2.gz RISBRRQNWPSVMS-UHFFFAOYSA-N 1 0 412.759 4.055 20 30 HIEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000553766886 941963192 /nfs/dbraw/zinc/96/31/92/941963192.db2.gz SXPYTPPDEZLWKS-HOTGVXAUSA-N 1 0 403.523 4.140 20 30 HIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000554746296 942219488 /nfs/dbraw/zinc/21/94/88/942219488.db2.gz VDXWZKSRDXTMHK-UHFFFAOYSA-N 1 0 406.313 4.342 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(Br)c2cccnc12 ZINC000554875353 942304428 /nfs/dbraw/zinc/30/44/28/942304428.db2.gz AXSMWZIPQQOJBX-UHFFFAOYSA-N 1 0 423.358 4.433 20 30 HIEDRO Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(-c2cnn(C)c2)c1 ZINC000554923206 942321011 /nfs/dbraw/zinc/32/10/11/942321011.db2.gz NCASIRXLWFWVQJ-OAQYLSRUSA-N 1 0 403.505 4.165 20 30 HIEDRO CC(C)N1CC[C@@H]([NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555005838 942352523 /nfs/dbraw/zinc/35/25/23/942352523.db2.gz IMZNSPCHJWMIFW-JIZZLUJTSA-N 1 0 422.976 4.035 20 30 HIEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000555253361 942447890 /nfs/dbraw/zinc/44/78/90/942447890.db2.gz ATAXDRPTFUBAFR-UHFFFAOYSA-N 1 0 424.552 4.392 20 30 HIEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000555263406 942452754 /nfs/dbraw/zinc/45/27/54/942452754.db2.gz AULOAIBOXYYJGB-JPYJTQIMSA-N 1 0 416.573 4.456 20 30 HIEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000555269787 942456020 /nfs/dbraw/zinc/45/60/20/942456020.db2.gz QOPUMLWPQTYNQI-IBGZPJMESA-N 1 0 419.577 4.079 20 30 HIEDRO N#C[C@@H]1CC[C@@H]([NH+]2CCC(c3nc(-c4ccccc4Br)no3)CC2)C1 ZINC000555461272 942563532 /nfs/dbraw/zinc/56/35/32/942563532.db2.gz YGFVKRWPQOGEBK-UKRRQHHQSA-N 1 0 401.308 4.371 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cc4ccccc4s3)CC2)cc1 ZINC000555813202 942742048 /nfs/dbraw/zinc/74/20/48/942742048.db2.gz YZHASOUOSGILDF-UHFFFAOYSA-N 1 0 404.539 4.190 20 30 HIEDRO CN(C(=O)c1ccc(NCc2ccc(F)c(C#N)c2Cl)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000556338096 942844833 /nfs/dbraw/zinc/84/48/33/942844833.db2.gz UXDYUVRGJVKJQH-GOSISDBHSA-N 1 0 414.912 4.129 20 30 HIEDRO COc1ccc(C[C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c(C)c1OC ZINC000556892727 942954301 /nfs/dbraw/zinc/95/43/01/942954301.db2.gz MHGIWPOMZWEURF-YMTQGWHGSA-N 1 0 409.530 4.190 20 30 HIEDRO N#Cc1cc(F)cc(C2(C(=O)N3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)CC2)c1 ZINC000556896195 942956555 /nfs/dbraw/zinc/95/65/55/942956555.db2.gz VKSQWTVECCSGII-RUZDIDTESA-N 1 0 417.528 4.244 20 30 HIEDRO N#Cc1ccc2ncc(C[NH+]3CCC(c4ccc(OC(F)(F)F)cc4)CC3)n2c1 ZINC000556962275 942981184 /nfs/dbraw/zinc/98/11/84/942981184.db2.gz XLBRVXMRSGBEAP-UHFFFAOYSA-N 1 0 400.404 4.484 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)[C@H](C)c2ccncc2)c1C#N ZINC000556974727 942986099 /nfs/dbraw/zinc/98/60/99/942986099.db2.gz IWGNKSHHAYRISP-GOSISDBHSA-N 1 0 405.502 4.035 20 30 HIEDRO C=CCC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(C(F)(F)F)cc1 ZINC000558164547 943405728 /nfs/dbraw/zinc/40/57/28/943405728.db2.gz IQQPGXGAZMIILN-GOSISDBHSA-N 1 0 423.460 4.043 20 30 HIEDRO CCCN(CC[NH+]1CCCC1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000558299192 943491889 /nfs/dbraw/zinc/49/18/89/943491889.db2.gz FMFNQWYBQFPNRK-UHFFFAOYSA-N 1 0 419.529 4.150 20 30 HIEDRO COc1ccc(-c2csc(NC(=O)[C@H](C)[NH2+][C@@H](C)c3ccc(C#N)cc3)n2)cc1 ZINC000558741605 943637327 /nfs/dbraw/zinc/63/73/27/943637327.db2.gz JHBAZLYZTUQUCM-GJZGRUSLSA-N 1 0 406.511 4.368 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000558984706 943786697 /nfs/dbraw/zinc/78/66/97/943786697.db2.gz YSSSGCBFKPKSLY-UHFFFAOYSA-N 1 0 409.578 4.196 20 30 HIEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000558991328 943791005 /nfs/dbraw/zinc/79/10/05/943791005.db2.gz HHFLLYOGQJXZOA-UHFFFAOYSA-N 1 0 418.589 4.239 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000559022780 943807605 /nfs/dbraw/zinc/80/76/05/943807605.db2.gz RZIQGTJMIWSHRV-PMVMPFDFSA-N 1 0 423.605 4.268 20 30 HIEDRO C[N@H+](CCCOc1cccc(Cl)c1)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000559363197 943910472 /nfs/dbraw/zinc/91/04/72/943910472.db2.gz HXFYUJFFGZDQGO-UHFFFAOYSA-N 1 0 417.962 4.491 20 30 HIEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@@H]1c1ccccc1 ZINC000559687424 944029265 /nfs/dbraw/zinc/02/92/65/944029265.db2.gz YJNAUIDEXDKJGX-SFTDATJTSA-N 1 0 417.538 4.172 20 30 HIEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@@H]1c1ccccc1 ZINC000559687423 944029434 /nfs/dbraw/zinc/02/94/34/944029434.db2.gz YJNAUIDEXDKJGX-RTWAWAEBSA-N 1 0 417.538 4.172 20 30 HIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cnc(-c4ccc(Cl)cc4)s3)C2=O)cc1 ZINC000560077984 944151159 /nfs/dbraw/zinc/15/11/59/944151159.db2.gz KVCHYVSEQDRQRB-FQEVSTJZSA-N 1 0 422.941 4.226 20 30 HIEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000560132640 944171908 /nfs/dbraw/zinc/17/19/08/944171908.db2.gz CKNVOSVYCCOTRZ-FGTMMUONSA-N 1 0 418.887 4.363 20 30 HIEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000560181243 944189824 /nfs/dbraw/zinc/18/98/24/944189824.db2.gz WWZVJSZZCWZFQE-TZIWHRDSSA-N 1 0 417.347 4.053 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCCC3(CCOCC3)C2)cc1OC ZINC000560543986 944248736 /nfs/dbraw/zinc/24/87/36/944248736.db2.gz LVSDXGVNVOURLT-UHFFFAOYSA-N 1 0 410.352 4.415 20 30 HIEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000560804988 944337821 /nfs/dbraw/zinc/33/78/21/944337821.db2.gz GSODSJCYQSACKM-UHFFFAOYSA-N 1 0 417.509 4.324 20 30 HIEDRO C=CCC[C@@H]([NH2+]CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)c1ccccc1 ZINC000561160575 944488389 /nfs/dbraw/zinc/48/83/89/944488389.db2.gz JOUKHVVUNXDMSC-XMMPIXPASA-N 1 0 402.542 4.402 20 30 HIEDRO CCN(CCC[NH+]1CCCC1)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000561296325 944542708 /nfs/dbraw/zinc/54/27/08/944542708.db2.gz XBGSSYRVSZWHHW-UHFFFAOYSA-N 1 0 416.997 4.153 20 30 HIEDRO CCN(CC[NH+]1CCCCCC1)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000561902246 944847207 /nfs/dbraw/zinc/84/72/07/944847207.db2.gz NFJCYKBZZHBBGB-LJQANCHMSA-N 1 0 402.608 4.075 20 30 HIEDRO COc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c(C)c1OC ZINC000561928272 944860444 /nfs/dbraw/zinc/86/04/44/944860444.db2.gz CCBUQEFTQFFIKK-IRXDYDNUSA-N 1 0 413.493 4.137 20 30 HIEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000561957649 944875658 /nfs/dbraw/zinc/87/56/58/944875658.db2.gz UPWHJPBUAVWRFT-SOLBZPMBSA-N 1 0 406.448 4.293 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000565376529 945818496 /nfs/dbraw/zinc/81/84/96/945818496.db2.gz UKTZEFLTJZRIAO-UHFFFAOYSA-N 1 0 409.578 4.054 20 30 HIEDRO C[C@H]1C[C@H](N(C)C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000565612733 945854699 /nfs/dbraw/zinc/85/46/99/945854699.db2.gz NNBAZTLBUVDBAI-HNAYVOBHSA-N 1 0 416.447 4.097 20 30 HIEDRO C[C@@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000566038986 945988056 /nfs/dbraw/zinc/98/80/56/945988056.db2.gz UMGAWZAALZPTDJ-JPYJTQIMSA-N 1 0 421.516 4.145 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(OC(F)F)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000566381573 946015419 /nfs/dbraw/zinc/01/54/19/946015419.db2.gz LUPFQWVCMRRDQN-VXGBXAGGSA-N 1 0 405.470 4.388 20 30 HIEDRO CC[C@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000567186345 946263665 /nfs/dbraw/zinc/26/36/65/946263665.db2.gz CXGUFYQGNKYYAY-IBGZPJMESA-N 1 0 400.320 4.182 20 30 HIEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000567575302 946378342 /nfs/dbraw/zinc/37/83/42/946378342.db2.gz AALXTTLTNOPQMR-KRWDZBQOSA-N 1 0 408.498 4.489 20 30 HIEDRO COc1ccc([C@H]2CCCCCN2C(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000568375344 946526450 /nfs/dbraw/zinc/52/64/50/946526450.db2.gz HROVKFVEXXEXEK-HSZRJFAPSA-N 1 0 403.526 4.289 20 30 HIEDRO C[C@H]([NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000569424900 946874386 /nfs/dbraw/zinc/87/43/86/946874386.db2.gz UOKMYCVMLGXSIE-RZQQEMMASA-N 1 0 409.555 4.193 20 30 HIEDRO C[C@H]([NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000569424901 946874723 /nfs/dbraw/zinc/87/47/23/946874723.db2.gz UOKMYCVMLGXSIE-TWOQFEAHSA-N 1 0 409.555 4.193 20 30 HIEDRO CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000569560480 946890693 /nfs/dbraw/zinc/89/06/93/946890693.db2.gz BQAHUVIIAXNERC-HSZRJFAPSA-N 1 0 405.542 4.070 20 30 HIEDRO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1=O ZINC000569594078 946894217 /nfs/dbraw/zinc/89/42/17/946894217.db2.gz BEBLDQNBPZPVLT-MHECFPHRSA-N 1 0 420.532 4.008 20 30 HIEDRO CC(C)(C)CC[NH+]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000569773536 947003077 /nfs/dbraw/zinc/00/30/77/947003077.db2.gz XMKGSNLSTKLPBV-UHFFFAOYSA-N 1 0 407.518 4.331 20 30 HIEDRO C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000569870662 947025440 /nfs/dbraw/zinc/02/54/40/947025440.db2.gz JWAZDXOOVPZWRP-UHFFFAOYSA-N 1 0 405.546 4.463 20 30 HIEDRO C=CCn1c(-c2ccccc2Br)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000569954570 947051616 /nfs/dbraw/zinc/05/16/16/947051616.db2.gz SEJQVXBPJLGTEI-UHFFFAOYSA-N 1 0 418.383 4.204 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000569970953 947057959 /nfs/dbraw/zinc/05/79/59/947057959.db2.gz ZGIWXMYQEIXNMQ-QGZVFWFLSA-N 1 0 401.530 4.054 20 30 HIEDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(C#N)c(F)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000570131287 947110207 /nfs/dbraw/zinc/11/02/07/947110207.db2.gz JGYSADGDRZRWGT-AUUYWEPGSA-N 1 0 404.848 4.304 20 30 HIEDRO C[C@@H]1[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000570425941 947237999 /nfs/dbraw/zinc/23/79/99/947237999.db2.gz HIAOHPUPZTUMOT-JPYJTQIMSA-N 1 0 415.493 4.123 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1OC ZINC000570551629 947290736 /nfs/dbraw/zinc/29/07/36/947290736.db2.gz KHRIALIVACPGGU-LSTHTHJFSA-N 1 0 400.316 4.450 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]CCc3cnc(SC4CCCC4)nc3)CC2)cc1 ZINC000570653489 947323546 /nfs/dbraw/zinc/32/35/46/947323546.db2.gz YSJXJINMBLSQKW-UHFFFAOYSA-N 1 0 407.587 4.184 20 30 HIEDRO C=CCOc1c(Br)cc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1OC ZINC000573288375 948146229 /nfs/dbraw/zinc/14/62/29/948146229.db2.gz YICUAKWEBQUBIV-DOTOQJQBSA-N 1 0 409.368 4.081 20 30 HIEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)[C@H](C(F)(F)F)C1 ZINC000573821947 948302199 /nfs/dbraw/zinc/30/21/99/948302199.db2.gz BTJPEAFWKCETRP-HZPDHXFCSA-N 1 0 420.397 4.082 20 30 HIEDRO N#CCCN(C(=O)C[NH2+][C@@H](COc1ccccc1F)c1ccccc1)c1ccccc1 ZINC000573825301 948303575 /nfs/dbraw/zinc/30/35/75/948303575.db2.gz LXPHQICYOWRDSO-QHCPKHFHSA-N 1 0 417.484 4.482 20 30 HIEDRO CC(C)N1CC[C@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000574221829 948389884 /nfs/dbraw/zinc/38/98/84/948389884.db2.gz PPQMIIOLDVRZAX-RBBKRZOGSA-N 1 0 414.912 4.103 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@H+](C)C2CCC(CO)CC2)cc1OCC ZINC000575598863 948681584 /nfs/dbraw/zinc/68/15/84/948681584.db2.gz JDVWROLOSUHXFE-UHFFFAOYSA-N 1 0 412.368 4.396 20 30 HIEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164619221 719043530 /nfs/dbraw/zinc/04/35/30/719043530.db2.gz CBJCHAAEJBXANV-APWZRJJASA-N 1 0 423.294 4.388 20 30 HIEDRO N#Cc1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)nc2ccc([N+](=O)[O-])cc12 ZINC001164629039 719110645 /nfs/dbraw/zinc/11/06/45/719110645.db2.gz QNTMSCBKEVRFLX-MBSDFSHPSA-N 1 0 413.481 4.115 20 30 HIEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164725334 720490242 /nfs/dbraw/zinc/49/02/42/720490242.db2.gz JUHUNRYJKBQUOB-PMACEKPBSA-N 1 0 421.907 4.456 20 30 HIEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1ccc(C3(C#N)CCC3)cn1)CC2 ZINC001164792591 721495609 /nfs/dbraw/zinc/49/56/09/721495609.db2.gz RVPUKXZHFHKJGM-UHFFFAOYSA-N 1 0 401.558 4.303 20 30 HIEDRO CCN(CCC#N)c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2=O ZINC001165049379 721987166 /nfs/dbraw/zinc/98/71/66/721987166.db2.gz ZCGJQBNMOITHNJ-UHFFFAOYSA-N 1 0 424.932 4.137 20 30 HIEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164952441 722018332 /nfs/dbraw/zinc/01/83/32/722018332.db2.gz KMMBPCUCKRMSQL-UHFFFAOYSA-N 1 0 417.891 4.039 20 30 HIEDRO COc1ccc(SCCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000435950160 861214494 /nfs/dbraw/zinc/21/44/94/861214494.db2.gz PRFMETSAZRHHMR-UHFFFAOYSA-N 1 0 423.582 4.174 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000436290386 861595595 /nfs/dbraw/zinc/59/55/95/861595595.db2.gz IIJFYXREVMEZRX-USCONSEESA-N 1 0 421.509 4.029 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1F ZINC000436310614 861616349 /nfs/dbraw/zinc/61/63/49/861616349.db2.gz RSBOQRSEJQIIST-XGRCMKMKSA-N 1 0 421.509 4.029 20 30 HIEDRO CCc1cccc(NC(=S)C(C(=O)c2ccc3c(c2)OCCO3)[n+]2ccccc2)c1 ZINC000014872239 845988390 /nfs/dbraw/zinc/98/83/90/845988390.db2.gz PBVLFECGRHVJHB-UHFFFAOYSA-O 1 0 419.526 4.359 20 30 HIEDRO C=CCNC(=S)C(C(=O)c1ccc(Br)cc1)[n+]1ccccc1CC ZINC000022687234 846603899 /nfs/dbraw/zinc/60/38/99/846603899.db2.gz JWMQHVBSVIVICR-UHFFFAOYSA-O 1 0 404.353 4.013 20 30 HIEDRO Cc1ccc(C(=O)C(C(=S)NCc2ccccc2)[n+]2ccc(N(C)C)cc2)s1 ZINC000022730819 846610376 /nfs/dbraw/zinc/61/03/76/846610376.db2.gz HGKUBBKRAROGLA-UHFFFAOYSA-O 1 0 410.588 4.139 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1ccc([N+](=O)[O-])cc1)C(=S)NCc1ccccc1 ZINC000022730644 846610495 /nfs/dbraw/zinc/61/04/95/846610495.db2.gz IICGIWHCDPLXRJ-UHFFFAOYSA-O 1 0 420.514 4.173 20 30 HIEDRO CNC(=S)C(C(=O)c1cccc(Br)c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000022733857 846611408 /nfs/dbraw/zinc/61/14/08/846611408.db2.gz UFEXYQCPWUODAF-UHFFFAOYSA-O 1 0 406.369 4.192 20 30 HIEDRO Cc1ccc(C(=O)C(C(=S)Nc2ccc(C)c(F)c2)[n+]2cccc(CO)c2)s1 ZINC000022732183 846611606 /nfs/dbraw/zinc/61/16/06/846611606.db2.gz SLTLTZNLAWCBJD-UHFFFAOYSA-O 1 0 415.535 4.335 20 30 HIEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022772417 846618437 /nfs/dbraw/zinc/61/84/37/846618437.db2.gz YYAUIAXKABWPCX-NRFANRHFSA-N 1 0 424.548 4.292 20 30 HIEDRO COc1ccc(CCNC(=S)C(C(=O)c2ccc(C)cc2)[n+]2cccc(C)c2)cc1 ZINC000022801715 846622755 /nfs/dbraw/zinc/62/27/55/846622755.db2.gz HZTVNKCLKGESNZ-UHFFFAOYSA-O 1 0 419.570 4.371 20 30 HIEDRO CCOC(=O)c1ccc(NC(=S)C(C(=O)c2cc(C)[nH]c2C)[n+]2ccccc2)cc1 ZINC000023603431 846727223 /nfs/dbraw/zinc/72/72/23/846727223.db2.gz BFMGXTVFKHMDFQ-UHFFFAOYSA-O 1 0 422.530 4.147 20 30 HIEDRO CCc1ccc(NC(=S)C(C(=O)c2cc(C)[nH]c2C)[n+]2cccc(CO)c2)cc1 ZINC000023604173 846727536 /nfs/dbraw/zinc/72/75/36/846727536.db2.gz KONKCWIDWQTOAP-UHFFFAOYSA-O 1 0 408.547 4.025 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2cc(C)ccc2C)[n+]2cccc(CO)c2)c(C)[nH]1 ZINC000023603715 846727574 /nfs/dbraw/zinc/72/75/74/846727574.db2.gz RBZZTSBVEWHBKY-UHFFFAOYSA-O 1 0 408.547 4.079 20 30 HIEDRO N#Cc1ccsc1NC(=O)CC[N@@H+](Cc1cccc(Br)c1)C1CC1 ZINC000026446529 847146920 /nfs/dbraw/zinc/14/69/20/847146920.db2.gz YKAPBRUMOLPOKA-UHFFFAOYSA-N 1 0 404.333 4.375 20 30 HIEDRO CCOc1cc(C[N@H+](C)CCC(=O)Nc2ccccc2C#N)ccc1OC(F)F ZINC000026455498 847153869 /nfs/dbraw/zinc/15/38/69/847153869.db2.gz IKFZLDCAUQNHAF-UHFFFAOYSA-N 1 0 403.429 4.019 20 30 HIEDRO C=CCc1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc(OC)c1OC ZINC000027606904 847327198 /nfs/dbraw/zinc/32/71/98/847327198.db2.gz CAFVLLQBYUOCMT-SFHVURJKSA-N 1 0 400.544 4.061 20 30 HIEDRO N#Cc1cccc(C[NH+](Cc2cccc(C#N)c2)C2CCN(c3ccccn3)CC2)c1 ZINC000047045521 848977104 /nfs/dbraw/zinc/97/71/04/848977104.db2.gz PRAOPDGKLNMIKE-UHFFFAOYSA-N 1 0 407.521 4.496 20 30 HIEDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000047608983 849084433 /nfs/dbraw/zinc/08/44/33/849084433.db2.gz RWJRWVVEOCEHDG-ZIAGYGMSSA-N 1 0 401.894 4.297 20 30 HIEDRO CC[N@H+](CCc1ccccc1)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000052968661 849650472 /nfs/dbraw/zinc/65/04/72/849650472.db2.gz UXPJXDNGCBLYLC-UHFFFAOYSA-N 1 0 404.514 4.121 20 30 HIEDRO CC(C)COC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000054325897 849848698 /nfs/dbraw/zinc/84/86/98/849848698.db2.gz JIOLBIJTOUFRFV-INIZCTEOSA-N 1 0 403.592 4.210 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000054340708 849849837 /nfs/dbraw/zinc/84/98/37/849849837.db2.gz NBCGYNUBRGKJRE-LJQANCHMSA-N 1 0 404.514 4.287 20 30 HIEDRO Cc1cc(C)c(NC(=O)[C@@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000054454794 849871611 /nfs/dbraw/zinc/87/16/11/849871611.db2.gz FDZMDHFYFIPIRL-OAQYLSRUSA-N 1 0 404.558 4.018 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)Nc1ccccc1C#N ZINC000056153332 850258644 /nfs/dbraw/zinc/25/86/44/850258644.db2.gz PLDKFVBYHYOFLW-ZWKOTPCHSA-N 1 0 412.493 4.488 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000056153284 850258789 /nfs/dbraw/zinc/25/87/89/850258789.db2.gz FUPKRYGVTAXOBM-RBUKOAKNSA-N 1 0 418.541 4.321 20 30 HIEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)Cc1ccc(Cl)s1 ZINC000058490899 850837743 /nfs/dbraw/zinc/83/77/43/850837743.db2.gz OYYOZDPIIZGBRL-UHFFFAOYSA-N 1 0 419.978 4.255 20 30 HIEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000060523127 851132557 /nfs/dbraw/zinc/13/25/57/851132557.db2.gz UZBYRKBSXJUVOK-JOCHJYFZSA-N 1 0 413.945 4.403 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCCc1nc2ccccc2s1 ZINC000060575888 851153651 /nfs/dbraw/zinc/15/36/51/851153651.db2.gz NPJYTEJIRWTSLT-UHFFFAOYSA-N 1 0 420.582 4.471 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000063399994 851678122 /nfs/dbraw/zinc/67/81/22/851678122.db2.gz BUPGIJXZENDWIL-JOCHJYFZSA-N 1 0 408.502 4.130 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000063400187 851678227 /nfs/dbraw/zinc/67/82/27/851678227.db2.gz NVNIIBZLMUPSEV-DEOSSOPVSA-N 1 0 418.541 4.102 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1ccccc1CC ZINC000063440568 851690037 /nfs/dbraw/zinc/69/00/37/851690037.db2.gz JIQHSTGRSYQMKM-UHFFFAOYSA-O 1 0 412.579 4.043 20 30 HIEDRO CCOc1ccc([C@@H](C)NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000063750433 851754072 /nfs/dbraw/zinc/75/40/72/851754072.db2.gz NIBNOLYRTFDELZ-GOSISDBHSA-N 1 0 409.530 4.053 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000063750836 851754456 /nfs/dbraw/zinc/75/44/56/851754456.db2.gz KWFAPZHXTSUIAV-UHFFFAOYSA-N 1 0 404.514 4.114 20 30 HIEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000437090478 862282618 /nfs/dbraw/zinc/28/26/18/862282618.db2.gz DTKUOICTGMIKRN-VNCLNFNDSA-N 1 0 404.514 4.224 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccccc2F)n1 ZINC000063826285 851773267 /nfs/dbraw/zinc/77/32/67/851773267.db2.gz BPIIHCZFVKRMLN-UHFFFAOYSA-N 1 0 408.502 4.025 20 30 HIEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000437090466 862282298 /nfs/dbraw/zinc/28/22/98/862282298.db2.gz DTKUOICTGMIKRN-MNNVXMFVSA-N 1 0 404.514 4.224 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000064237097 851855063 /nfs/dbraw/zinc/85/50/63/851855063.db2.gz ABWYLKDBBLSYSB-QHCPKHFHSA-N 1 0 422.529 4.438 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cnc(-c2ccccc2F)s1 ZINC000065930207 852320600 /nfs/dbraw/zinc/32/06/00/852320600.db2.gz QRXHPOCRDQAKHM-UHFFFAOYSA-N 1 0 408.502 4.025 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000065939429 852328316 /nfs/dbraw/zinc/32/83/16/852328316.db2.gz RKLKPCKWJKXOIB-UHFFFAOYSA-N 1 0 421.472 4.073 20 30 HIEDRO CC(C)c1ccccc1NC(=O)[C@H](C)ON=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000097571228 852632313 /nfs/dbraw/zinc/63/23/13/852632313.db2.gz JPTPPCRBTZQRRZ-IBGZPJMESA-N 1 0 422.573 4.460 20 30 HIEDRO CC(C)c1ccccc1NC(=O)[C@H](C)ON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000097571468 852633162 /nfs/dbraw/zinc/63/31/62/852633162.db2.gz BNCRKNBWMUIEQO-IBGZPJMESA-N 1 0 422.573 4.460 20 30 HIEDRO CC[N@H+](C)Cc1cccc(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000140371214 853443195 /nfs/dbraw/zinc/44/31/95/853443195.db2.gz RXLCBTDMWCUCFG-UHFFFAOYSA-N 1 0 403.448 4.008 20 30 HIEDRO CC(C)NC(=O)Nc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000236668422 853909692 /nfs/dbraw/zinc/90/96/92/853909692.db2.gz ZJZGSVLRAVSVIB-UHFFFAOYSA-N 1 0 416.529 4.283 20 30 HIEDRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000236681644 853911517 /nfs/dbraw/zinc/91/15/17/853911517.db2.gz XXTIZTCBXOGVLL-PKTZIBPZSA-N 1 0 405.542 4.310 20 30 HIEDRO CN(CCC#N)c1ccc(CNc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1 ZINC000237212317 853983539 /nfs/dbraw/zinc/98/35/39/853983539.db2.gz YNVXJPBOEDAAES-UHFFFAOYSA-N 1 0 419.573 4.463 20 30 HIEDRO COc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1OCCC(C)C ZINC000237357429 854012519 /nfs/dbraw/zinc/01/25/19/854012519.db2.gz WDHAJTCMFSQOLL-UHFFFAOYSA-N 1 0 408.546 4.145 20 30 HIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000237484537 854043311 /nfs/dbraw/zinc/04/33/11/854043311.db2.gz LQAYDFDEYBODJO-HNNXBMFYSA-N 1 0 404.436 4.150 20 30 HIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000237506859 854047051 /nfs/dbraw/zinc/04/70/51/854047051.db2.gz OHHRHGSWQZLRPH-JXFKEZNVSA-N 1 0 403.448 4.360 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccccc3OCc3cccnc3)C2)c(F)c1 ZINC000237713640 854081753 /nfs/dbraw/zinc/08/17/53/854081753.db2.gz TXBMVEQVGXLFRZ-JOCHJYFZSA-N 1 0 416.500 4.430 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cccc(OCc4ccccn4)c3)C2)c(F)c1 ZINC000237714107 854081798 /nfs/dbraw/zinc/08/17/98/854081798.db2.gz DZNOPERVLWLLJE-OAQYLSRUSA-N 1 0 416.500 4.430 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc(Cl)ccc3Br)CC2)nc1 ZINC000237853936 854108200 /nfs/dbraw/zinc/10/82/00/854108200.db2.gz REGSCBCYNDNKFJ-UHFFFAOYSA-N 1 0 405.727 4.128 20 30 HIEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)c(-c2ccccc2)n1 ZINC000237865021 854110894 /nfs/dbraw/zinc/11/08/94/854110894.db2.gz MSGBBJJNAMIRGN-GOSISDBHSA-N 1 0 421.495 4.358 20 30 HIEDRO Cn1cc(C[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237903987 854117670 /nfs/dbraw/zinc/11/76/70/854117670.db2.gz QXUHXVLSMNYUSS-UHFFFAOYSA-N 1 0 414.387 4.155 20 30 HIEDRO C#CCCOc1ccc(C[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)cc1 ZINC000238044022 854136952 /nfs/dbraw/zinc/13/69/52/854136952.db2.gz JFPRTDBEPKOAKK-UHFFFAOYSA-N 1 0 414.509 4.095 20 30 HIEDRO CCN(C(=O)CO[NH+]=Cc1ccc(N2CCOCC2)cc1)c1cccc2ccccc21 ZINC000255364698 854217104 /nfs/dbraw/zinc/21/71/04/854217104.db2.gz CZPSYLBOPCZBJW-UHFFFAOYSA-N 1 0 417.509 4.080 20 30 HIEDRO Cc1cc(N(C)C2CC[NH+](CCc3ccccn3)CC2)n2c3ccccc3nc2c1C#N ZINC000301133745 854307684 /nfs/dbraw/zinc/30/76/84/854307684.db2.gz VWPQTJUJEHUODW-UHFFFAOYSA-N 1 0 424.552 4.206 20 30 HIEDRO C[C@@H]([NH2+]C1(CNc2nc(C(F)(F)F)ccc2C#N)CCOCC1)c1ccccc1 ZINC000301249481 854339454 /nfs/dbraw/zinc/33/94/54/854339454.db2.gz BRVKWWZQDUKKPE-OAHLLOKOSA-N 1 0 404.436 4.284 20 30 HIEDRO Cc1nnc(NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000301295766 854350554 /nfs/dbraw/zinc/35/05/54/854350554.db2.gz RNYBTZXPVVRCSU-LPHOPBHVSA-N 1 0 403.452 4.479 20 30 HIEDRO C=C(C)C[NH+]1CCC(Nc2cc(C(=O)OC)nc3ccc(Br)cc32)CC1 ZINC000301350302 854367212 /nfs/dbraw/zinc/36/72/12/854367212.db2.gz KFJKPQLXPWVUBM-UHFFFAOYSA-N 1 0 418.335 4.236 20 30 HIEDRO C=CC[NH+]1CCC(Nc2ncccc2C(=O)Nc2ccc(Br)cc2)CC1 ZINC000301397486 854381364 /nfs/dbraw/zinc/38/13/64/854381364.db2.gz NXOZRSKNQSCOJJ-UHFFFAOYSA-N 1 0 415.335 4.159 20 30 HIEDRO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000301659584 854439191 /nfs/dbraw/zinc/43/91/91/854439191.db2.gz CBWXRTUCFMRPAL-OALUTQOASA-N 1 0 400.448 4.463 20 30 HIEDRO Cc1cc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2cccc([N+](=O)[O-])c2n1 ZINC000302035767 854519923 /nfs/dbraw/zinc/51/99/23/854519923.db2.gz UPMQBCDSCIPJKS-UHFFFAOYSA-N 1 0 401.470 4.035 20 30 HIEDRO C[NH+](C)C1CCN(c2ccc(Nc3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)cc2)CC1 ZINC000302627352 854593595 /nfs/dbraw/zinc/59/35/95/854593595.db2.gz FULHRIHBEQJVAV-UHFFFAOYSA-N 1 0 416.485 4.289 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cccnc2Oc2cccc(Br)c2)CC1 ZINC000303246766 854833652 /nfs/dbraw/zinc/83/36/52/854833652.db2.gz DOLWBUBEGYUIJR-UHFFFAOYSA-N 1 0 416.319 4.017 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)c2cccc(Br)c2)CC1 ZINC000303337645 854880913 /nfs/dbraw/zinc/88/09/13/854880913.db2.gz ONXRBUGQARUFTP-UHFFFAOYSA-N 1 0 408.384 4.066 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000303584649 855057873 /nfs/dbraw/zinc/05/78/73/855057873.db2.gz QBERVQJLEWUWEW-PGRDOPGGSA-N 1 0 423.582 4.249 20 30 HIEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@@H](C)C1 ZINC000303593133 855065822 /nfs/dbraw/zinc/06/58/22/855065822.db2.gz IGNCPHUZUTUQHE-YADARESESA-N 1 0 421.541 4.217 20 30 HIEDRO COc1ccc([C@H](CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)N2CCCCC2)cc1 ZINC000303786517 855197738 /nfs/dbraw/zinc/19/77/38/855197738.db2.gz RMPNFZBAGGZRMJ-FQEVSTJZSA-N 1 0 416.953 4.311 20 30 HIEDRO Cc1ccc(C[NH+]=C(NCc2ccc(S(C)(=O)=O)cc2)Nc2ccccc2)cc1 ZINC000303787870 855198681 /nfs/dbraw/zinc/19/86/81/855198681.db2.gz TUEMQKMIPSHKMU-UHFFFAOYSA-N 1 0 407.539 4.156 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCC[C@@H]3Cc3ccccc3)CC2)cc1 ZINC000303863069 855257490 /nfs/dbraw/zinc/25/74/90/855257490.db2.gz WUFQODYRZYZNDP-RPBOFIJWSA-N 1 0 416.569 4.187 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCCc2ccc(OCc3ccccc3)cc2)cc1OC ZINC000303868589 855260739 /nfs/dbraw/zinc/26/07/39/855260739.db2.gz DJHVVEIEUFVDDE-UHFFFAOYSA-N 1 0 405.498 4.252 20 30 HIEDRO COc1ccc(NC(=[NH2+])NC[C@H](c2ccccc2)N2CCc3sccc3C2)cc1 ZINC000303873234 855263540 /nfs/dbraw/zinc/26/35/40/855263540.db2.gz CJFIFYNWYPOITC-OAQYLSRUSA-N 1 0 406.555 4.283 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCc2ccccc2COCc2ccccc2)cc1OC ZINC000303885261 855269976 /nfs/dbraw/zinc/26/99/76/855269976.db2.gz JOJLCOBASKPOBX-UHFFFAOYSA-N 1 0 405.498 4.347 20 30 HIEDRO Cc1ccc(NC(=[NH2+])NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1C ZINC000303892679 855273862 /nfs/dbraw/zinc/27/38/62/855273862.db2.gz RJNSKYMPFFNAHN-UHFFFAOYSA-N 1 0 406.452 4.086 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccccc2OCC(F)(F)F)c1 ZINC000303893722 855274580 /nfs/dbraw/zinc/27/45/80/855274580.db2.gz SCUSTLOMVUJASP-UHFFFAOYSA-N 1 0 411.424 4.352 20 30 HIEDRO COc1ccc(-c2csc(CNC(=[NH2+])NCc3ccc(OC)c(OC)c3)c2)cc1 ZINC000304508524 855356567 /nfs/dbraw/zinc/35/65/67/855356567.db2.gz RWTJQQDCYADHGI-UHFFFAOYSA-N 1 0 411.527 4.045 20 30 HIEDRO Cc1ccc([C@H](CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)N2CCOCC2)o1 ZINC000304495641 855356583 /nfs/dbraw/zinc/35/65/83/855356583.db2.gz PNAANHUBWHMPQE-QFIPXVFZSA-N 1 0 420.513 4.180 20 30 HIEDRO [NH2+]=C(NCCNc1nccc(C(F)(F)F)n1)Nc1cccc(Oc2ccccc2)c1 ZINC000304744321 855357247 /nfs/dbraw/zinc/35/72/47/855357247.db2.gz DONMCRMFWKJIKH-UHFFFAOYSA-N 1 0 416.407 4.126 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2nc(-c3cccc(Cl)c3)no2)c1 ZINC000304753678 855357273 /nfs/dbraw/zinc/35/72/73/855357273.db2.gz LGOIXOQDEWPBSH-UHFFFAOYSA-N 1 0 415.881 4.114 20 30 HIEDRO COc1ccc(NC(=[NH2+])NC[C@H](C)Oc2ccccc2Br)cc1Cl ZINC000304672523 855357856 /nfs/dbraw/zinc/35/78/56/855357856.db2.gz CIMJOKKUYKDXKL-NSHDSACASA-N 1 0 412.715 4.305 20 30 HIEDRO CN(C)c1cc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c2ccccc2n1 ZINC000305215650 855359706 /nfs/dbraw/zinc/35/97/06/855359706.db2.gz IDPUJNRFESTMBM-UHFFFAOYSA-N 1 0 403.408 4.126 20 30 HIEDRO COc1cccc([C@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)N2CCCC2)c1 ZINC000305236286 855359846 /nfs/dbraw/zinc/35/98/46/855359846.db2.gz NTSMSHADSDWBEA-SFHVURJKSA-N 1 0 422.451 4.158 20 30 HIEDRO COc1ccc(C(C)(C)CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1OC ZINC000305268984 855360759 /nfs/dbraw/zinc/36/07/59/855360759.db2.gz ZMJRDPAAYSSUOO-UHFFFAOYSA-N 1 0 411.424 4.307 20 30 HIEDRO [NH2+]=C(NCc1cccc(NC(=O)N2CCCC2)c1)Nc1ccccc1OC(F)(F)F ZINC000305253144 855361122 /nfs/dbraw/zinc/36/11/22/855361122.db2.gz VSDDVUFDMKQEOW-UHFFFAOYSA-N 1 0 421.423 4.140 20 30 HIEDRO COc1ccc(C[C@H](C)CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1OC ZINC000305693364 855361219 /nfs/dbraw/zinc/36/12/19/855361219.db2.gz QWIVEKHZJHLFEH-ZDUSSCGKSA-N 1 0 411.424 4.208 20 30 HIEDRO C=CCC[C@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1OCC ZINC000320270648 855388293 /nfs/dbraw/zinc/38/82/93/855388293.db2.gz LUPPWZHFHRMUSZ-CYBMUJFWSA-N 1 0 407.146 4.027 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000410150521 855839591 /nfs/dbraw/zinc/83/95/91/855839591.db2.gz CGRBUXUEYQDMFX-UHFFFAOYSA-N 1 0 406.574 4.172 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)C[C@H]3CCCOC3)sc2C1 ZINC000427009085 856593170 /nfs/dbraw/zinc/59/31/70/856593170.db2.gz PEWFOCUQQCZXEY-IAGOWNOFSA-N 1 0 417.619 4.458 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427241364 856731759 /nfs/dbraw/zinc/73/17/59/856731759.db2.gz ITBGCNMGKVXTPM-LJQANCHMSA-N 1 0 421.520 4.065 20 30 HIEDRO CC[N@H+](CCNC(=O)c1ccccc1Oc1ccccc1C#N)CCC(F)(F)F ZINC000427276012 856748020 /nfs/dbraw/zinc/74/80/20/856748020.db2.gz VKNMGZPIBCGEFQ-UHFFFAOYSA-N 1 0 405.420 4.355 20 30 HIEDRO Cc1nc(SCC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c(C#N)c(C)c1C ZINC000437475913 862836311 /nfs/dbraw/zinc/83/63/11/862836311.db2.gz MVEUZNPYBDFPTL-QGZVFWFLSA-N 1 0 422.598 4.094 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccccc1 ZINC000428318563 857151403 /nfs/dbraw/zinc/15/14/03/857151403.db2.gz BMSBTWQJJGVDTM-HSZRJFAPSA-N 1 0 415.541 4.277 20 30 HIEDRO C[C@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1CCC(=O)Nc1cccc(C#N)c1 ZINC000428813374 857357303 /nfs/dbraw/zinc/35/73/03/857357303.db2.gz PLHJSJITKHWXSW-YWZLYKJASA-N 1 0 417.431 4.368 20 30 HIEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000428911331 857409309 /nfs/dbraw/zinc/40/93/09/857409309.db2.gz JIBJYZKFEPXQQR-SIKLNZKXSA-N 1 0 413.525 4.029 20 30 HIEDRO CC1(C)CN(c2ccc(Cl)cc2)CC[N@@H+]1CCC(=O)Nc1sccc1C#N ZINC000429294203 857595169 /nfs/dbraw/zinc/59/51/69/857595169.db2.gz LURNQXAKPFKXDI-UHFFFAOYSA-N 1 0 402.951 4.203 20 30 HIEDRO Cc1oc(NC(=O)C[NH2+][C@@H]2c3cc(Br)ccc3CC2(C)C)c(C#N)c1C ZINC000429296618 857595303 /nfs/dbraw/zinc/59/53/03/857595303.db2.gz RRLZUIOLMYTDNB-GOSISDBHSA-N 1 0 416.319 4.382 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C ZINC000429408804 857649491 /nfs/dbraw/zinc/64/94/91/857649491.db2.gz NTENFYKWIXJFKA-ZLXGRDSLSA-N 1 0 406.368 4.105 20 30 HIEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429408797 857649723 /nfs/dbraw/zinc/64/97/23/857649723.db2.gz NTENFYKWIXJFKA-QKMWGZLOSA-N 1 0 406.368 4.105 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000429503275 857701435 /nfs/dbraw/zinc/70/14/35/857701435.db2.gz GJJSRXMUWBNCNA-UHFFFAOYSA-N 1 0 421.467 4.112 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccsc1 ZINC000429716752 857848678 /nfs/dbraw/zinc/84/86/78/857848678.db2.gz KWRGZRBWYJLYRC-OAQYLSRUSA-N 1 0 421.570 4.338 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000429738439 857860273 /nfs/dbraw/zinc/86/02/73/857860273.db2.gz OPEHGPCWPMXLNA-OAQYLSRUSA-N 1 0 406.530 4.394 20 30 HIEDRO Cc1nc(SCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C#N)c(C)c1C ZINC000430669623 858260716 /nfs/dbraw/zinc/26/07/16/858260716.db2.gz RNULXMQQRMNQLS-HRAATJIYSA-N 1 0 422.598 4.140 20 30 HIEDRO COc1ccccc1[C@H](CNC(=O)c1cccc(SCC#N)c1)[NH+]1CCCCC1 ZINC000430772153 858299342 /nfs/dbraw/zinc/29/93/42/858299342.db2.gz JZLFIKNNPWIJGA-NRFANRHFSA-N 1 0 409.555 4.268 20 30 HIEDRO N#CCCn1cc(C[N@H+](CCc2ccccn2)Cc2cccnc2)c(-c2ccccc2)n1 ZINC000430882105 858352744 /nfs/dbraw/zinc/35/27/44/858352744.db2.gz HPMUAZBSLNKXPA-UHFFFAOYSA-N 1 0 422.536 4.499 20 30 HIEDRO CC(C)(C)N1CC[C@@H](NC(=O)NCC2(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000430909456 858365917 /nfs/dbraw/zinc/36/59/17/858365917.db2.gz ARTFMYPTBQBDAS-MSOLQXFVSA-N 1 0 406.933 4.386 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)sc2c1CCC2 ZINC000430958734 858382092 /nfs/dbraw/zinc/38/20/92/858382092.db2.gz ZGKWHYNKUYRWOK-IBGZPJMESA-N 1 0 423.582 4.161 20 30 HIEDRO C=CCN1C(=O)N(C2CCC([NH+]3CCC(C)CC3)CC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431741905 858779246 /nfs/dbraw/zinc/77/92/46/858779246.db2.gz KOFYKOHRKOVXON-VNXZQDSDSA-N 1 0 409.574 4.091 20 30 HIEDRO COC1CC[NH+](C2(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)CCCC2)CC1 ZINC000431939590 858879324 /nfs/dbraw/zinc/87/93/24/858879324.db2.gz SDPDOAYAQCFVJE-QFIPXVFZSA-N 1 0 412.578 4.144 20 30 HIEDRO CCOc1cc(C[NH2+][C@H](CCCC#N)c2ccccc2)nc2nc(C(F)(F)F)nn21 ZINC000433031896 859491017 /nfs/dbraw/zinc/49/10/17/859491017.db2.gz PJIIMBZBXUNCJT-MRXNPFEDSA-N 1 0 418.423 4.067 20 30 HIEDRO COc1cc(C[N@H+](C)C[C@H](O)Cc2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC000433075761 859511700 /nfs/dbraw/zinc/51/17/00/859511700.db2.gz ZLQDVPPCPPXYOP-XMMPIXPASA-N 1 0 416.521 4.181 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000433115713 859526639 /nfs/dbraw/zinc/52/66/39/859526639.db2.gz PLTQAMOILKDYQE-IAGOWNOFSA-N 1 0 413.440 4.018 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)c1C ZINC000433294094 859621682 /nfs/dbraw/zinc/62/16/82/859621682.db2.gz JRDHSMXVUXMSPV-DEOSSOPVSA-N 1 0 405.542 4.044 20 30 HIEDRO Cc1cc(Br)ccc1C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433322686 859640203 /nfs/dbraw/zinc/64/02/03/859640203.db2.gz YRDCUYMVOCAXDB-UHFFFAOYSA-N 1 0 410.319 4.220 20 30 HIEDRO COc1ccc(C2(C[NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)CCC2)cc1 ZINC000433329835 859646875 /nfs/dbraw/zinc/64/68/75/859646875.db2.gz HRORHUXOBSTANX-UHFFFAOYSA-N 1 0 401.514 4.079 20 30 HIEDRO Cc1cc2sc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)nc2cc1F ZINC000434500523 860375751 /nfs/dbraw/zinc/37/57/51/860375751.db2.gz BTIQGBJWZNSBPN-UHFFFAOYSA-N 1 0 411.506 4.211 20 30 HIEDRO CN(Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1Br ZINC000434836870 860514471 /nfs/dbraw/zinc/51/44/71/860514471.db2.gz POPLBOQNXANDRA-UHFFFAOYSA-N 1 0 410.319 4.253 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000434868049 860528798 /nfs/dbraw/zinc/52/87/98/860528798.db2.gz KBRJTZGEUHBOMU-WBMJQRKESA-N 1 0 409.433 4.017 20 30 HIEDRO N#CCCn1cc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435124047 860651572 /nfs/dbraw/zinc/65/15/72/860651572.db2.gz LFFXHXGJRBHHBU-DEOSSOPVSA-N 1 0 415.541 4.082 20 30 HIEDRO C[N@H+](Cc1ccc(Br)s1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435126236 860653104 /nfs/dbraw/zinc/65/31/04/860653104.db2.gz KQKOINSGIFPBEU-UHFFFAOYSA-N 1 0 416.348 4.315 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)c(-c2ccncc2)n1 ZINC000435135217 860657495 /nfs/dbraw/zinc/65/74/95/860657495.db2.gz NFXHOLFXYYSXSQ-IBGZPJMESA-N 1 0 407.905 4.165 20 30 HIEDRO COc1ccc(OC)c([C@@H]2CCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000435135855 860658586 /nfs/dbraw/zinc/65/85/86/860658586.db2.gz VRFUSMVKKDWXIS-QFIPXVFZSA-N 1 0 417.513 4.213 20 30 HIEDRO C=CCOc1ccc(C(=O)Nc2cc(C)nn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000435284968 860718998 /nfs/dbraw/zinc/71/89/98/860718998.db2.gz MLRAKRYLSVFQTI-QFIPXVFZSA-N 1 0 416.525 4.456 20 30 HIEDRO Cc1cc(NC(=O)CCc2ccc(C#N)cc2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435290501 860721248 /nfs/dbraw/zinc/72/12/48/860721248.db2.gz QUWOFIOOACMMBQ-HSZRJFAPSA-N 1 0 413.525 4.082 20 30 HIEDRO CC(C)c1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)nn1-c1ccccc1 ZINC000435361350 860762099 /nfs/dbraw/zinc/76/20/99/860762099.db2.gz DWLKKVYMHSOITK-UHFFFAOYSA-N 1 0 415.541 4.071 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)cc1C#N ZINC000435564788 860885192 /nfs/dbraw/zinc/88/51/92/860885192.db2.gz IQRTXOTZIHYZMA-UHFFFAOYSA-N 1 0 416.472 4.219 20 30 HIEDRO N#Cc1cccc(OCc2ccoc2C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)c1 ZINC000437859613 863218965 /nfs/dbraw/zinc/21/89/65/863218965.db2.gz OCIOLGRXKCYYKP-OAQYLSRUSA-N 1 0 407.514 4.257 20 30 HIEDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[N@@H+]1C ZINC000437897261 863269444 /nfs/dbraw/zinc/26/94/44/863269444.db2.gz NNIWXKLLIPURKR-NQIIRXRSSA-N 1 0 406.530 4.278 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)C1 ZINC000437988464 863351795 /nfs/dbraw/zinc/35/17/95/863351795.db2.gz RMQKWTMYIQJBHW-DOTOQJQBSA-N 1 0 406.477 4.278 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000438060850 863431648 /nfs/dbraw/zinc/43/16/48/863431648.db2.gz RXDJHHCNFSKDGT-QGZVFWFLSA-N 1 0 408.571 4.159 20 30 HIEDRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000438457870 863880850 /nfs/dbraw/zinc/88/08/50/863880850.db2.gz GYFQBISEKUZWSK-UHFFFAOYSA-N 1 0 419.504 4.375 20 30 HIEDRO COc1cc(Br)ccc1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000438475208 863893139 /nfs/dbraw/zinc/89/31/39/863893139.db2.gz XPHAEWCFITUXPY-UHFFFAOYSA-N 1 0 416.319 4.204 20 30 HIEDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000438491083 863910020 /nfs/dbraw/zinc/91/00/20/863910020.db2.gz GUQONLSPLXRIKK-UHFFFAOYSA-N 1 0 415.541 4.295 20 30 HIEDRO C[C@@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000438639225 864072904 /nfs/dbraw/zinc/07/29/04/864072904.db2.gz AQSLNXXQRAZQSM-AWEZNQCLSA-N 1 0 402.420 4.145 20 30 HIEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1C(F)(F)F ZINC000438644781 864082619 /nfs/dbraw/zinc/08/26/19/864082619.db2.gz WXXBWRKZJXZUBU-UHFFFAOYSA-N 1 0 416.447 4.406 20 30 HIEDRO N#Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1C(F)(F)F ZINC000438654917 864095526 /nfs/dbraw/zinc/09/55/26/864095526.db2.gz WQGBUCFCBZSATO-KRWDZBQOSA-N 1 0 416.447 4.263 20 30 HIEDRO COc1ccc([C@H](CNC(=O)N[C@H](CCC#N)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000438850248 864345612 /nfs/dbraw/zinc/34/56/12/864345612.db2.gz USTHHLQQCAAKGJ-PKTZIBPZSA-N 1 0 406.530 4.176 20 30 HIEDRO N#Cc1c(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)sc2c1CCCCC2 ZINC000438994188 864451573 /nfs/dbraw/zinc/45/15/73/864451573.db2.gz BMPBXVDDZDSAFU-DFQSSKMNSA-N 1 0 415.603 4.233 20 30 HIEDRO Cc1c(F)c(C(F)(F)F)ccc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000467924345 881798216 /nfs/dbraw/zinc/79/82/16/881798216.db2.gz JOKRCLBQLODLED-UHFFFAOYSA-N 1 0 419.422 4.441 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000439519358 864861179 /nfs/dbraw/zinc/86/11/79/864861179.db2.gz TUKJKQCCAPXFNX-UHFFFAOYSA-N 1 0 408.502 4.309 20 30 HIEDRO N#Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000467962353 881822452 /nfs/dbraw/zinc/82/24/52/881822452.db2.gz CPXWYLOLCGJBPF-INIZCTEOSA-N 1 0 402.420 4.221 20 30 HIEDRO CCCc1c(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cnn1-c1cccc(C#N)c1 ZINC000439675265 865008816 /nfs/dbraw/zinc/00/88/16/865008816.db2.gz RZHKTQBNJJKNIO-HXUWFJFHSA-N 1 0 420.561 4.036 20 30 HIEDRO CCCc1c(NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cnn1-c1cccc(C#N)c1 ZINC000439679176 865015058 /nfs/dbraw/zinc/01/50/58/865015058.db2.gz GJZRRYWBTMOQBB-NRFANRHFSA-N 1 0 422.558 4.182 20 30 HIEDRO CCCc1c(NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cnn1-c1cccc(C#N)c1 ZINC000439683993 865019958 /nfs/dbraw/zinc/01/99/58/865019958.db2.gz VPTXHJUTPNUGFQ-FQEVSTJZSA-N 1 0 422.577 4.186 20 30 HIEDRO C=CCc1ccccc1OC[C@@H](O)CN(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000440551475 865816247 /nfs/dbraw/zinc/81/62/47/865816247.db2.gz CCDFRKYKGNLXNT-XUZZJYLKSA-N 1 0 423.944 4.320 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000468107938 881923954 /nfs/dbraw/zinc/92/39/54/881923954.db2.gz IRWJPCBYDIDUQR-XMMPIXPASA-N 1 0 417.553 4.494 20 30 HIEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441056531 866135046 /nfs/dbraw/zinc/13/50/46/866135046.db2.gz BXAWWARYTDQRSK-CQSZACIVSA-N 1 0 408.449 4.242 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](CC)Cc2c[nH]c3ccccc23)cc1 ZINC000442886722 867719703 /nfs/dbraw/zinc/71/97/03/867719703.db2.gz UQVXOYPZPMKSLO-UHFFFAOYSA-N 1 0 404.514 4.335 20 30 HIEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)cc2)CC1 ZINC000443885052 868419511 /nfs/dbraw/zinc/41/95/11/868419511.db2.gz ZCNJADJQQRFXDT-UHFFFAOYSA-N 1 0 416.447 4.360 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444205030 868665271 /nfs/dbraw/zinc/66/52/71/868665271.db2.gz KZHLAKPPYQVMBR-ZWKOTPCHSA-N 1 0 414.619 4.023 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)[C@H](CCO)c2ccccc2)c1C#N ZINC000444239283 868689619 /nfs/dbraw/zinc/68/96/19/868689619.db2.gz KGGHCURBUQGYPD-HSZRJFAPSA-N 1 0 422.573 4.476 20 30 HIEDRO CN(C(=O)c1cn(CCCC#N)c2ccccc12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000444298739 868728126 /nfs/dbraw/zinc/72/81/26/868728126.db2.gz YSHAQGGDWNGKHE-OAQYLSRUSA-N 1 0 400.526 4.292 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 ZINC000444392736 868806202 /nfs/dbraw/zinc/80/62/02/868806202.db2.gz BXRDAJJPQJAOPX-UHFFFAOYSA-N 1 0 404.436 4.470 20 30 HIEDRO CS[C@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H]1[NH+]1CCCC1 ZINC000444684880 868958287 /nfs/dbraw/zinc/95/82/87/868958287.db2.gz LYXJMAZDKDLXAB-ZEQRLZLVSA-N 1 0 405.611 4.398 20 30 HIEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC000445989331 869953482 /nfs/dbraw/zinc/95/34/82/869953482.db2.gz TYNMXQKARUTKTM-AZUAARDMSA-N 1 0 401.432 4.119 20 30 HIEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC000445992186 869954713 /nfs/dbraw/zinc/95/47/13/869954713.db2.gz JOXNYPKHKHONCZ-AZUAARDMSA-N 1 0 422.472 4.277 20 30 HIEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC000445996153 869959496 /nfs/dbraw/zinc/95/94/96/869959496.db2.gz WNIHIMXMHPUGMW-UYAOXDASSA-N 1 0 401.432 4.119 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC([NH+]3CC=CC3)CC2)cc1 ZINC000446226777 870164350 /nfs/dbraw/zinc/16/43/50/870164350.db2.gz LXHAFGHCNLEGCH-UHFFFAOYSA-N 1 0 416.525 4.200 20 30 HIEDRO C=CCN(C(=O)C1CC[NH+](C2CC2)CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000447201741 871093578 /nfs/dbraw/zinc/09/35/78/871093578.db2.gz UXVGQLOCEHSRTF-UHFFFAOYSA-N 1 0 412.515 4.112 20 30 HIEDRO FC(F)C(F)(F)COCC[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000447328210 871219791 /nfs/dbraw/zinc/21/97/91/871219791.db2.gz ZQRNTBXAYBQKNW-UHFFFAOYSA-N 1 0 419.337 4.098 20 30 HIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447589404 871494822 /nfs/dbraw/zinc/49/48/22/871494822.db2.gz XSLWERCMDRXTAF-GHBBCFCZSA-N 1 0 409.490 4.126 20 30 HIEDRO CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000468516960 882524631 /nfs/dbraw/zinc/52/46/31/882524631.db2.gz NRZZVJKCUXQCGF-JOCHJYFZSA-N 1 0 414.500 4.451 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([N@H+](CCc3ccccc3)Cc3cccnc3)C2=O)cc1 ZINC000447878820 871796040 /nfs/dbraw/zinc/79/60/40/871796040.db2.gz KWDHRSMADDPALD-VWLOTQADSA-N 1 0 410.521 4.194 20 30 HIEDRO COc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1C(F)(F)F ZINC000448060730 871887840 /nfs/dbraw/zinc/88/78/40/871887840.db2.gz NQTKYDQIHNXLFX-UHFFFAOYSA-N 1 0 420.435 4.181 20 30 HIEDRO N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2)cc1 ZINC000448196687 872080269 /nfs/dbraw/zinc/08/02/69/872080269.db2.gz AIKDTYVKYLNSRX-GBXCKJPGSA-N 1 0 401.510 4.439 20 30 HIEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000448451755 872399119 /nfs/dbraw/zinc/39/91/19/872399119.db2.gz ZOEMJCKGUMBNJS-BWKNWUBXSA-N 1 0 415.537 4.226 20 30 HIEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460392012 873039524 /nfs/dbraw/zinc/03/95/24/873039524.db2.gz WMNHZXVTIHCJMG-LJQANCHMSA-N 1 0 404.562 4.457 20 30 HIEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460572239 873306991 /nfs/dbraw/zinc/30/69/91/873306991.db2.gz AYDWKISIYFETAX-ICSRJNTNSA-N 1 0 404.562 4.378 20 30 HIEDRO C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000460771143 873620259 /nfs/dbraw/zinc/62/02/59/873620259.db2.gz UCWMZHOVAOLTPQ-OFNKIYASSA-N 1 0 423.605 4.086 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460793545 873660399 /nfs/dbraw/zinc/66/03/99/873660399.db2.gz LUSDQABAFIQYNT-GBESFXJTSA-N 1 0 413.541 4.196 20 30 HIEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460953357 873851784 /nfs/dbraw/zinc/85/17/84/873851784.db2.gz DXODKJRZVQPDIN-UYAOXDASSA-N 1 0 402.546 4.132 20 30 HIEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460961156 873857364 /nfs/dbraw/zinc/85/73/64/873857364.db2.gz UYBQRUUCMKHWKS-HJNYFJLDSA-N 1 0 409.578 4.195 20 30 HIEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)c1 ZINC000468639519 882773768 /nfs/dbraw/zinc/77/37/68/882773768.db2.gz SLUJKSOEXYDWLH-RSXGOPAZSA-N 1 0 417.553 4.386 20 30 HIEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C[C@H]1C ZINC000461315702 874323855 /nfs/dbraw/zinc/32/38/55/874323855.db2.gz CZWDJUUGYNJWFB-XLIONFOSSA-N 1 0 420.586 4.236 20 30 HIEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C[C@H]1C ZINC000461315703 874324176 /nfs/dbraw/zinc/32/41/76/874324176.db2.gz CZWDJUUGYNJWFB-YLJYHZDGSA-N 1 0 420.586 4.236 20 30 HIEDRO C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(C#N)c1 ZINC000462067423 875178558 /nfs/dbraw/zinc/17/85/58/875178558.db2.gz NDHNOYMYGVBFNJ-QRWLVFNGSA-N 1 0 401.432 4.071 20 30 HIEDRO Cc1cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000462246631 875364961 /nfs/dbraw/zinc/36/49/61/875364961.db2.gz LQYRHTGTMWUWCQ-WMZHIEFXSA-N 1 0 413.525 4.252 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccccc3OCC(F)(F)F)C2)c(F)c1 ZINC000462747779 875815318 /nfs/dbraw/zinc/81/53/18/875815318.db2.gz GACYVZIDCILXIQ-QGZVFWFLSA-N 1 0 407.411 4.397 20 30 HIEDRO C=CCOc1c(Br)cc(CN[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1OC ZINC000462750973 875818229 /nfs/dbraw/zinc/81/82/29/875818229.db2.gz SKASYVYOFRKCHW-GOSISDBHSA-N 1 0 423.395 4.377 20 30 HIEDRO C[N@H+](CCc1cccc(Br)c1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000462825172 875861862 /nfs/dbraw/zinc/86/18/62/875861862.db2.gz IGCNFMZFQIZLJR-UHFFFAOYSA-N 1 0 424.346 4.296 20 30 HIEDRO CC[NH+](CC)CCOc1ccc(-c2noc([C@@H](C)c3cccc(C#N)c3)n2)cc1OC ZINC000462826527 875862955 /nfs/dbraw/zinc/86/29/55/875862955.db2.gz LPKNPPKJVUWZNE-KRWDZBQOSA-N 1 0 420.513 4.489 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000463209010 876270629 /nfs/dbraw/zinc/27/06/29/876270629.db2.gz HPTRHBCKXVCIOD-VURPSTOHSA-N 1 0 415.603 4.425 20 30 HIEDRO CC[NH+](CC)CCN(Cc1ccccc1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468965868 883032052 /nfs/dbraw/zinc/03/20/52/883032052.db2.gz LEEQPXYYQGLGHW-UHFFFAOYSA-N 1 0 402.498 4.197 20 30 HIEDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1cccc(Br)c1 ZINC000463818063 876932714 /nfs/dbraw/zinc/93/27/14/876932714.db2.gz ZCWQMHJTDAYNAI-MRXNPFEDSA-N 1 0 414.347 4.015 20 30 HIEDRO C[C@H]1C[C@H](CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)C[N@@H+]1Cc1ccccc1 ZINC000469018765 883086348 /nfs/dbraw/zinc/08/63/48/883086348.db2.gz OAXGOLKZQCWNAJ-RXVVDRJESA-N 1 0 414.509 4.244 20 30 HIEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000464326137 877514460 /nfs/dbraw/zinc/51/44/60/877514460.db2.gz DFTFYBKLOKBMOB-LJQANCHMSA-N 1 0 407.489 4.484 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464763266 878005031 /nfs/dbraw/zinc/00/50/31/878005031.db2.gz ALKLHZTYZIDQKR-VQTJNVASSA-N 1 0 423.582 4.445 20 30 HIEDRO CC[NH+](CC)C[C@H]1CCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000464769793 878012950 /nfs/dbraw/zinc/01/29/50/878012950.db2.gz AIKRVYLILFIDOC-HSZRJFAPSA-N 1 0 407.558 4.310 20 30 HIEDRO Cc1ccc(CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]2CCCO2)cc1 ZINC000464779155 878024257 /nfs/dbraw/zinc/02/42/57/878024257.db2.gz QZWCCEUAGLWPLN-QFIPXVFZSA-N 1 0 402.498 4.140 20 30 HIEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1 ZINC000464815243 878067706 /nfs/dbraw/zinc/06/77/06/878067706.db2.gz PNJZDWSQDREJTQ-QHCPKHFHSA-N 1 0 421.541 4.232 20 30 HIEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000503360102 912335222 /nfs/dbraw/zinc/33/52/22/912335222.db2.gz QMRVBVQJEDRQKV-KRWDZBQOSA-N 1 0 409.509 4.030 20 30 HIEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3ccc(OC)cc3)CC2)c(OC)c1 ZINC000465025752 878389657 /nfs/dbraw/zinc/38/96/57/878389657.db2.gz ZDYSULWFEKCNRS-JOCHJYFZSA-N 1 0 411.542 4.052 20 30 HIEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 ZINC000503366287 912341770 /nfs/dbraw/zinc/34/17/70/912341770.db2.gz LOJTWDSSJGXCOI-NRFANRHFSA-N 1 0 406.530 4.299 20 30 HIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000465720873 879295415 /nfs/dbraw/zinc/29/54/15/879295415.db2.gz OSAOILDHPXPCTG-DQEYMECFSA-N 1 0 416.569 4.380 20 30 HIEDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000503488579 912531990 /nfs/dbraw/zinc/53/19/90/912531990.db2.gz NZECGDIIWKXGDT-LJQANCHMSA-N 1 0 410.493 4.130 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ncccc2OCCCC#N)[C@H]1c1cccs1 ZINC000466611030 880381621 /nfs/dbraw/zinc/38/16/21/880381621.db2.gz RTPSTYNAZQBBLG-APWZRJJASA-N 1 0 413.547 4.030 20 30 HIEDRO N#CCSCCC[NH+]1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000466741971 880524426 /nfs/dbraw/zinc/52/44/26/880524426.db2.gz VDHXFCYNQMVNNS-UHFFFAOYSA-N 1 0 422.314 4.237 20 30 HIEDRO COC[C@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000467117374 880874578 /nfs/dbraw/zinc/87/45/78/880874578.db2.gz KUGOFKSGEJCIRD-IBGZPJMESA-N 1 0 400.567 4.169 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH+]2CCC(OC3CCCC3)CC2)sc2c1CCCC2 ZINC000503552110 912621547 /nfs/dbraw/zinc/62/15/47/912621547.db2.gz QHBVZVXBFMNVMO-UHFFFAOYSA-N 1 0 401.576 4.251 20 30 HIEDRO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000467508155 881321481 /nfs/dbraw/zinc/32/14/81/881321481.db2.gz OIHZUFRMGNNVOI-MRXNPFEDSA-N 1 0 411.571 4.486 20 30 HIEDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000469123656 883218125 /nfs/dbraw/zinc/21/81/25/883218125.db2.gz ZLZHPLBHUVMDPX-UHFFFAOYSA-N 1 0 404.514 4.275 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000469308140 883407862 /nfs/dbraw/zinc/40/78/62/883407862.db2.gz ZZFYIDOLBGZLNK-GOSISDBHSA-N 1 0 408.571 4.081 20 30 HIEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000503626153 912726045 /nfs/dbraw/zinc/72/60/45/912726045.db2.gz FWFVXVQZRBLAOA-UHFFFAOYSA-N 1 0 415.541 4.021 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(SCC#N)c1)c1cccc(C(F)(F)F)c1 ZINC000469474425 883701101 /nfs/dbraw/zinc/70/11/01/883701101.db2.gz MFDZHGMBFKBOFT-SFHVURJKSA-N 1 0 407.461 4.354 20 30 HIEDRO C[C@@H]1C[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C[N@@H+]1Cc1ccccc1 ZINC000469586832 883825539 /nfs/dbraw/zinc/82/55/39/883825539.db2.gz KVVBERZLQWJCAN-TZIWHRDSSA-N 1 0 400.526 4.338 20 30 HIEDRO C[C@@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1ccc(C#N)cc1 ZINC000469658608 883852993 /nfs/dbraw/zinc/85/29/93/883852993.db2.gz ALGQEQJLHAAVER-AUUYWEPGSA-N 1 0 404.436 4.240 20 30 HIEDRO C[C@H](NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1ccc(C#N)cc1 ZINC000469658609 883853299 /nfs/dbraw/zinc/85/32/99/883853299.db2.gz ALGQEQJLHAAVER-IFXJQAMLSA-N 1 0 404.436 4.240 20 30 HIEDRO C[C@H](NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C)c1ccc(C#N)cc1 ZINC000469658611 883853733 /nfs/dbraw/zinc/85/37/33/883853733.db2.gz ALGQEQJLHAAVER-LIRRHRJNSA-N 1 0 404.436 4.240 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N2Cc3cc(OC)ccc3C[C@@H]2c2ccccc2)CC1 ZINC000469751947 883914382 /nfs/dbraw/zinc/91/43/82/883914382.db2.gz KIFPNHJNBUYJOL-XMMPIXPASA-N 1 0 405.542 4.155 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)C1(c2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 ZINC000469766718 883938431 /nfs/dbraw/zinc/93/84/31/883938431.db2.gz XKZKWFJVFVDFSI-IBGZPJMESA-N 1 0 401.432 4.028 20 30 HIEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000469991724 884205437 /nfs/dbraw/zinc/20/54/37/884205437.db2.gz NOPUXGCVDAWPJO-CQSZACIVSA-N 1 0 410.326 4.408 20 30 HIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000503753194 912815821 /nfs/dbraw/zinc/81/58/21/912815821.db2.gz WOWSHVTZCWIXMB-DEOSSOPVSA-N 1 0 404.558 4.043 20 30 HIEDRO Cc1nc(SCC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C#N)c(C)c1C ZINC000470667095 885093910 /nfs/dbraw/zinc/09/39/10/885093910.db2.gz JPZIPGRYPIKSME-OAQYLSRUSA-N 1 0 422.598 4.094 20 30 HIEDRO CN(C(=O)CCCCOc1cccc(C#N)c1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470666712 885094542 /nfs/dbraw/zinc/09/45/42/885094542.db2.gz JTRZEOGZDGZRRF-QHCPKHFHSA-N 1 0 405.542 4.230 20 30 HIEDRO C[C@H](Oc1ccc2ccccc2c1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000471106153 885640508 /nfs/dbraw/zinc/64/05/08/885640508.db2.gz GIUGJBCEHHUDRB-FQEVSTJZSA-N 1 0 413.521 4.282 20 30 HIEDRO C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000471132391 885671395 /nfs/dbraw/zinc/67/13/95/885671395.db2.gz WTGFLBAALOYXHE-VGOFRKELSA-N 1 0 403.482 4.151 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)NC[C@@H](c3cccs3)[NH+]3CCCC3)CC2)cc1 ZINC000504066310 912968093 /nfs/dbraw/zinc/96/80/93/912968093.db2.gz FQSPJOZKLLPNIG-NRFANRHFSA-N 1 0 406.555 4.256 20 30 HIEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1O ZINC000471179193 885744998 /nfs/dbraw/zinc/74/49/98/885744998.db2.gz RQWZSFRLZLZCQS-UHFFFAOYSA-N 1 0 413.543 4.063 20 30 HIEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000471564649 886275065 /nfs/dbraw/zinc/27/50/65/886275065.db2.gz UQWBLKNRGOUEFM-FQEVSTJZSA-N 1 0 423.582 4.282 20 30 HIEDRO CC(C)(C#N)CCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1 ZINC000472431155 887280421 /nfs/dbraw/zinc/28/04/21/887280421.db2.gz LLWYVYCJKLCCBQ-HSZRJFAPSA-N 1 0 407.533 4.241 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000472535076 887407964 /nfs/dbraw/zinc/40/79/64/887407964.db2.gz CXMUJABWJNLMHC-FYYLOGMGSA-N 1 0 408.521 4.107 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[C@@H](c4ccc(F)cc4)C3)CC2)cc1 ZINC000472538231 887413494 /nfs/dbraw/zinc/41/34/94/887413494.db2.gz YSPRFVWBSZGKLO-ISKFKSNPSA-N 1 0 420.532 4.251 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)cc1 ZINC000504309890 913158201 /nfs/dbraw/zinc/15/82/01/913158201.db2.gz LOKBQXOJXZQLSR-FCHUYYIVSA-N 1 0 404.514 4.080 20 30 HIEDRO C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000472746710 887591933 /nfs/dbraw/zinc/59/19/33/887591933.db2.gz GBMMDKUJHGJRBV-ZEVJAHDQSA-N 1 0 417.597 4.460 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472807358 887652257 /nfs/dbraw/zinc/65/22/57/887652257.db2.gz RHWAIIZDBRRMMQ-OAQYLSRUSA-N 1 0 419.569 4.115 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000504336691 913176911 /nfs/dbraw/zinc/17/69/11/913176911.db2.gz ADUDBWYFSCQPDI-OFNKIYASSA-N 1 0 419.569 4.255 20 30 HIEDRO CC(C)N1CC[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000474161204 888998624 /nfs/dbraw/zinc/99/86/24/888998624.db2.gz XCNRMJSIKOAWSS-FGZHOGPDSA-N 1 0 409.480 4.208 20 30 HIEDRO C=CCOc1ccc(C[N@@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C(C)(C)C)cc1 ZINC000474161110 888999550 /nfs/dbraw/zinc/99/95/50/888999550.db2.gz UFZUZMOFCIBAET-UHFFFAOYSA-N 1 0 423.557 4.192 20 30 HIEDRO COc1ccc([C@@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000474200489 889039548 /nfs/dbraw/zinc/03/95/48/889039548.db2.gz ULEXIDBOZPQWLD-HSZRJFAPSA-N 1 0 405.542 4.453 20 30 HIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]CCCCc3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000475208590 890078011 /nfs/dbraw/zinc/07/80/11/890078011.db2.gz YTGDYCJWESVOQI-OAQYLSRUSA-N 1 0 415.459 4.290 20 30 HIEDRO FC(F)C(F)(F)COCC[NH2+]Cc1ccc(Br)cc1C(F)(F)F ZINC000475233112 890105996 /nfs/dbraw/zinc/10/59/96/890105996.db2.gz LFBNQVQVMOAICZ-UHFFFAOYSA-N 1 0 412.143 4.475 20 30 HIEDRO CC[NH+](CC)CCOc1cc(NC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1OC ZINC000475466981 890376018 /nfs/dbraw/zinc/37/60/18/890376018.db2.gz FCKGNQNVYLMCAF-UHFFFAOYSA-N 1 0 409.530 4.469 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000475579699 890510279 /nfs/dbraw/zinc/51/02/79/890510279.db2.gz CCUBEAYUCPBACO-FCHUYYIVSA-N 1 0 407.558 4.295 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000475684626 890625023 /nfs/dbraw/zinc/62/50/23/890625023.db2.gz BWAKURHCTCMHOZ-YADARESESA-N 1 0 423.582 4.089 20 30 HIEDRO C[C@H]([NH2+]C1(CNC(=O)C[C@H](CC#N)c2ccccc2)CCOCC1)c1ccccc1 ZINC000476054918 890985419 /nfs/dbraw/zinc/98/54/19/890985419.db2.gz YKERGJOOPAXSOP-REWPJTCUSA-N 1 0 405.542 4.090 20 30 HIEDRO C[C@H]([NH2+]C1(CNC(=O)c2ccc(C(C)(C)C#N)cc2)CCOCC1)c1ccccc1 ZINC000476055989 890985524 /nfs/dbraw/zinc/98/55/24/890985524.db2.gz OIJVCPDRPSVDDR-IBGZPJMESA-N 1 0 405.542 4.118 20 30 HIEDRO C=CCOc1ccccc1CNC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000476632275 891567907 /nfs/dbraw/zinc/56/79/07/891567907.db2.gz RVIRYXZYZRCDJW-QHCPKHFHSA-N 1 0 423.557 4.286 20 30 HIEDRO C=C(C)[C@H](NC(=O)N[C@H]1CC[N@@H+](CCCOCC)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000477046628 891975244 /nfs/dbraw/zinc/97/52/44/891975244.db2.gz WEDNMTPZVFZVSB-CZAAIQMYSA-N 1 0 409.521 4.018 20 30 HIEDRO C[C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[N@H+](C)Cc1ccccc1 ZINC000477409681 892363201 /nfs/dbraw/zinc/36/32/01/892363201.db2.gz YKDSPIXVRUOEDZ-BVVFMGSASA-N 1 0 420.557 4.068 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)sc2c1CCC2 ZINC000477434149 892386021 /nfs/dbraw/zinc/38/60/21/892386021.db2.gz CNLKRWKINCPPOW-KRWDZBQOSA-N 1 0 409.511 4.003 20 30 HIEDRO C[NH+](C)Cc1cc(CNC(=O)c2ccccc2Oc2ccccc2C#N)ccc1F ZINC000477672026 892804313 /nfs/dbraw/zinc/80/43/13/892804313.db2.gz VRANXWKYWHYKLH-UHFFFAOYSA-N 1 0 403.457 4.481 20 30 HIEDRO C=C(C)[C@@H](NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)c1ccc(F)c(F)c1 ZINC000477745820 892840773 /nfs/dbraw/zinc/84/07/73/892840773.db2.gz SJYARKQKHBSNHE-JOCHJYFZSA-N 1 0 421.532 4.116 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(C#N)c1C ZINC000478044613 893183821 /nfs/dbraw/zinc/18/38/21/893183821.db2.gz GXRLQUZFZUDDGU-WMZOPIPTSA-N 1 0 400.567 4.072 20 30 HIEDRO Cc1nc(SCC(=O)Nc2ccc(CN(C)C)c(Cl)c2)c(C#N)c(C)c1C ZINC000478052693 893201914 /nfs/dbraw/zinc/20/19/14/893201914.db2.gz IKSRTHRTBZZWTD-UHFFFAOYSA-N 1 0 402.951 4.324 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000478808726 894081407 /nfs/dbraw/zinc/08/14/07/894081407.db2.gz YWVMGFDRZCSLCK-LJQANCHMSA-N 1 0 402.542 4.421 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000478858351 894138256 /nfs/dbraw/zinc/13/82/56/894138256.db2.gz AOVXLAGZKCQOID-IBGZPJMESA-N 1 0 402.542 4.421 20 30 HIEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000479001840 894271977 /nfs/dbraw/zinc/27/19/77/894271977.db2.gz ZGCMNPBTHCTEMV-NRFANRHFSA-N 1 0 419.525 4.068 20 30 HIEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000479053187 894312423 /nfs/dbraw/zinc/31/24/23/894312423.db2.gz WFXINASVHWIZCK-KNQAVFIVSA-N 1 0 401.510 4.439 20 30 HIEDRO CC1CC[NH+]([C@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c2cccs2)CC1 ZINC000505174270 913862944 /nfs/dbraw/zinc/86/29/44/913862944.db2.gz BMSZSXRYYKHSEY-HXUWFJFHSA-N 1 0 411.546 4.380 20 30 HIEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000479181977 894449363 /nfs/dbraw/zinc/44/93/63/894449363.db2.gz DKSKBSYNJPFKIV-UHFFFAOYSA-N 1 0 420.557 4.022 20 30 HIEDRO Cc1ccc(-c2cncc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2)cc1 ZINC000479213735 894477632 /nfs/dbraw/zinc/47/76/32/894477632.db2.gz JBJSOBBKRIKEEO-UHFFFAOYSA-N 1 0 410.521 4.345 20 30 HIEDRO CCCOc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1OCC ZINC000479225579 894486687 /nfs/dbraw/zinc/48/66/87/894486687.db2.gz YSFNYGUJSRLVCK-UHFFFAOYSA-N 1 0 421.541 4.162 20 30 HIEDRO Cc1ccc2[nH]cc(CCC(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000479286294 894565168 /nfs/dbraw/zinc/56/51/68/894565168.db2.gz VEEMHFOEOLZSGS-UHFFFAOYSA-N 1 0 400.526 4.084 20 30 HIEDRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CC2)CCO1 ZINC000479524464 894834047 /nfs/dbraw/zinc/83/40/47/894834047.db2.gz HTBKLRLPWLBHLV-SFHVURJKSA-N 1 0 421.566 4.035 20 30 HIEDRO Cn1cc(C[NH2+]Cc2cccc(NC(=O)C3CCCC3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000479880931 895225516 /nfs/dbraw/zinc/22/55/16/895225516.db2.gz ASUAGNPBJPYFDQ-UHFFFAOYSA-N 1 0 413.525 4.377 20 30 HIEDRO Cn1cc(C[NH2+]Cc2ccccc2OCC(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000479969639 895323911 /nfs/dbraw/zinc/32/39/11/895323911.db2.gz QLPKBVQCIPDTEA-UHFFFAOYSA-N 1 0 400.404 4.190 20 30 HIEDRO CC(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)N1CCc2ccccc2C1 ZINC000479976768 895329978 /nfs/dbraw/zinc/32/99/78/895329978.db2.gz GONSAAVTLZLCTR-VWLOTQADSA-N 1 0 413.569 4.131 20 30 HIEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[NH+](C)C ZINC000480289457 895694539 /nfs/dbraw/zinc/69/45/39/895694539.db2.gz GRYORLUFYBUHGD-KSFYIVLOSA-N 1 0 420.492 4.004 20 30 HIEDRO C[C@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000480348579 895754890 /nfs/dbraw/zinc/75/48/90/895754890.db2.gz NKENPVBIFYCLKQ-BTYIYWSLSA-N 1 0 422.920 4.210 20 30 HIEDRO CC[N@@H+](Cc1ccc(C#N)cc1Br)CC1CCN(c2ccccn2)CC1 ZINC000481045302 896369730 /nfs/dbraw/zinc/36/97/30/896369730.db2.gz YNEXXARMZFIOQR-UHFFFAOYSA-N 1 0 413.363 4.454 20 30 HIEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000481180436 896518317 /nfs/dbraw/zinc/51/83/17/896518317.db2.gz LWRPQFKEAHBJNL-NZQKXSOJSA-N 1 0 413.525 4.074 20 30 HIEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000481180435 896519206 /nfs/dbraw/zinc/51/92/06/896519206.db2.gz LWRPQFKEAHBJNL-NFBKMPQASA-N 1 0 413.525 4.074 20 30 HIEDRO CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000481347003 896718332 /nfs/dbraw/zinc/71/83/32/896718332.db2.gz LOHVGPGDMZHIOX-RNODOKPDSA-N 1 0 417.962 4.456 20 30 HIEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 ZINC000481491397 896871165 /nfs/dbraw/zinc/87/11/65/896871165.db2.gz HXEXVVRTDBCHSA-UHFFFAOYSA-N 1 0 405.542 4.086 20 30 HIEDRO C[C@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C[NH+]1CCCC1 ZINC000481592215 896971684 /nfs/dbraw/zinc/97/16/84/896971684.db2.gz CUIUVIAQZVSCMY-QGZVFWFLSA-N 1 0 410.493 4.130 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)cc2F)c1 ZINC000481652577 897038383 /nfs/dbraw/zinc/03/83/83/897038383.db2.gz CXCCYKALIIKEIP-SFTDATJTSA-N 1 0 408.477 4.025 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c1C#N ZINC000481764585 897151829 /nfs/dbraw/zinc/15/18/29/897151829.db2.gz YFBJUGUXGUWZNH-RTWAWAEBSA-N 1 0 400.567 4.214 20 30 HIEDRO COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000482004310 897401057 /nfs/dbraw/zinc/40/10/57/897401057.db2.gz VWZSIFPOEVZNRK-ZYHUDNBSSA-N 1 0 404.679 4.125 20 30 HIEDRO C[C@@H](C#N)CN(CCOc1c(Br)cccc1Br)C1CC1 ZINC000482815693 898425012 /nfs/dbraw/zinc/42/50/12/898425012.db2.gz ZXWHTCGSXSMVPG-NSHDSACASA-N 1 0 402.130 4.214 20 30 HIEDRO Cc1nc2ccccc2n1C1CC[NH+]([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000482866054 898477851 /nfs/dbraw/zinc/47/78/51/898477851.db2.gz DVWKEDSOOCJLGD-DEOSSOPVSA-N 1 0 413.525 4.049 20 30 HIEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+](CC2CC2)C2CCC2)c1C#N ZINC000483315328 898943430 /nfs/dbraw/zinc/94/34/30/898943430.db2.gz OAQTYYJXMWUUBA-UHFFFAOYSA-N 1 0 408.521 4.367 20 30 HIEDRO CS[C@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@H]1[NH+]1CCCC1 ZINC000483391279 899026552 /nfs/dbraw/zinc/02/65/52/899026552.db2.gz HUUKPLZELSIAHB-IRLDBZIGSA-N 1 0 423.607 4.361 20 30 HIEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483593900 899244448 /nfs/dbraw/zinc/24/44/48/899244448.db2.gz DAKPQOFJEPPZJF-UPVQGACJSA-N 1 0 417.553 4.229 20 30 HIEDRO CCc1ccc(-c2noc([C@H](C)NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2)cc1 ZINC000483645528 899301838 /nfs/dbraw/zinc/30/18/38/899301838.db2.gz GLRBBUWXFDANFZ-SFHVURJKSA-N 1 0 415.541 4.486 20 30 HIEDRO N#Cc1ccc(Cc2cnc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)s2)cc1 ZINC000483849031 899530962 /nfs/dbraw/zinc/53/09/62/899530962.db2.gz MIMGIESWQMXWIH-UHFFFAOYSA-N 1 0 409.559 4.134 20 30 HIEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccco1 ZINC000484465338 899959571 /nfs/dbraw/zinc/95/95/71/899959571.db2.gz MWPSCABMTZFDQC-DOMZBBRYSA-N 1 0 410.396 4.301 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@H]1CCCC[C@@H]1n1cccn1)CCCCC2 ZINC000484632941 900082913 /nfs/dbraw/zinc/08/29/13/900082913.db2.gz NPTNVRUEWSEZPP-OALUTQOASA-N 1 0 411.575 4.187 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@H]1CCCC[C@H]1n1cccn1)CCCCC2 ZINC000484632942 900083242 /nfs/dbraw/zinc/08/32/42/900083242.db2.gz NPTNVRUEWSEZPP-RBUKOAKNSA-N 1 0 411.575 4.187 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000485059410 900387155 /nfs/dbraw/zinc/38/71/55/900387155.db2.gz HOSMRPRKPBAQLX-JLHGSKIFSA-N 1 0 403.592 4.186 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000485250781 900535605 /nfs/dbraw/zinc/53/56/05/900535605.db2.gz FKAIJWXBOXFYRW-LJQANCHMSA-N 1 0 422.426 4.074 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2CC)CC1 ZINC000485327148 900609394 /nfs/dbraw/zinc/60/93/94/900609394.db2.gz YIZLJDISRODVOD-UHFFFAOYSA-N 1 0 421.467 4.225 20 30 HIEDRO Cc1sc(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000485337786 900626327 /nfs/dbraw/zinc/62/63/27/900626327.db2.gz PHHAGWIDNIPDOR-IFMALSPDSA-N 1 0 422.598 4.162 20 30 HIEDRO COc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341745 900632451 /nfs/dbraw/zinc/63/24/51/900632451.db2.gz BRBIYCSBLVMRTF-GOTSBHOMSA-N 1 0 405.542 4.062 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C2CC2)nc(SC)c1C#N)c1ccccc1 ZINC000485449039 900743333 /nfs/dbraw/zinc/74/33/33/900743333.db2.gz AMBKTXZBFCCATN-NRFANRHFSA-N 1 0 408.571 4.365 20 30 HIEDRO C=CCSc1ccccc1C(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000485467041 900761787 /nfs/dbraw/zinc/76/17/87/900761787.db2.gz PKRVMXXYUWSTGW-KDURUIRLSA-N 1 0 402.604 4.316 20 30 HIEDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000485771177 901027242 /nfs/dbraw/zinc/02/72/42/901027242.db2.gz PWCPNZIQFJUCQC-PWIZWCRZSA-N 1 0 403.592 4.402 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc3ncsc3c2)cc1 ZINC000485801518 901052388 /nfs/dbraw/zinc/05/23/88/901052388.db2.gz JOQYRUAHICZKBB-MRXNPFEDSA-N 1 0 408.527 4.292 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC)c2cc(F)cc(Br)c2)CC1 ZINC000486187824 901373299 /nfs/dbraw/zinc/37/32/99/901373299.db2.gz LIEMUAFBTVUIME-SFHVURJKSA-N 1 0 412.347 4.379 20 30 HIEDRO CC(C)[C@H]1CN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC[N@@H+]1C ZINC000486262063 901445473 /nfs/dbraw/zinc/44/54/73/901445473.db2.gz WGWXTYMZWVUMFP-HSZRJFAPSA-N 1 0 406.530 4.136 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000505929414 914580337 /nfs/dbraw/zinc/58/03/37/914580337.db2.gz CTUDEIYBVYPEQF-WOJBJXKFSA-N 1 0 421.541 4.457 20 30 HIEDRO C[C@@H](NC(=O)CCCCOc1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487285905 902137405 /nfs/dbraw/zinc/13/74/05/902137405.db2.gz KHKBORQWQZEZJV-OFNKIYASSA-N 1 0 405.542 4.134 20 30 HIEDRO C[N@@H+](Cc1ccccc1C(C)(C)C#N)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000487401081 902183938 /nfs/dbraw/zinc/18/39/38/902183938.db2.gz VEFKCKYAJQBZQL-SFHVURJKSA-N 1 0 406.448 4.378 20 30 HIEDRO Cc1ccc(-n2cnc3c2CC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C3)cc1 ZINC000487989820 902512198 /nfs/dbraw/zinc/51/21/98/902512198.db2.gz QCXPBPCWKDKYKH-UHFFFAOYSA-N 1 0 419.916 4.093 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(SCC(F)F)cc1 ZINC000488466939 902839987 /nfs/dbraw/zinc/83/99/87/902839987.db2.gz MPAMDOHBTXCAMW-QRWLVFNGSA-N 1 0 415.509 4.367 20 30 HIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCCc4ccc(Br)cc43)C2=O)cc1 ZINC000488471841 902843585 /nfs/dbraw/zinc/84/35/85/902843585.db2.gz XMXHLBUSMXLKOI-LEWJYISDSA-N 1 0 424.342 4.089 20 30 HIEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2cccc(Br)c21 ZINC000488489075 902851770 /nfs/dbraw/zinc/85/17/70/902851770.db2.gz AEAOQAQPVNBQLI-UAOJZALGSA-N 1 0 424.342 4.260 20 30 HIEDRO C[C@H](NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488624713 902905228 /nfs/dbraw/zinc/90/52/28/902905228.db2.gz IOSJMBZXVVRVJY-MNPDLOSFSA-N 1 0 416.569 4.378 20 30 HIEDRO Cc1ccccc1[C@@H](C(C)C)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000488807416 903011508 /nfs/dbraw/zinc/01/15/08/903011508.db2.gz QUCLHJCSLJWPKG-HSZRJFAPSA-N 1 0 401.514 4.320 20 30 HIEDRO N#Cc1cc(F)cc(C2(C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)CC2)c1 ZINC000506011532 914688028 /nfs/dbraw/zinc/68/80/28/914688028.db2.gz DBGACTAKAXDMLX-UHFFFAOYSA-N 1 0 411.908 4.163 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)sc2c1CCC2 ZINC000490789164 904235790 /nfs/dbraw/zinc/23/57/90/904235790.db2.gz AASVGCVYSPITNE-UHFFFAOYSA-N 1 0 410.499 4.010 20 30 HIEDRO Cn1cc(CNc2ccccc2C[NH+]2CCSCC2)c(-c2ccc(C#N)cc2)n1 ZINC000491036636 904389585 /nfs/dbraw/zinc/38/95/85/904389585.db2.gz YSIHETSMNAJKOJ-UHFFFAOYSA-N 1 0 403.555 4.120 20 30 HIEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000491604775 904671075 /nfs/dbraw/zinc/67/10/75/904671075.db2.gz PGTWXOIKVSMFNP-QGZVFWFLSA-N 1 0 422.330 4.485 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(-c3cccc(C(F)(F)F)c3)nn2C)CC1 ZINC000492312758 904832762 /nfs/dbraw/zinc/83/27/62/904832762.db2.gz MLSLTXVRNAPJOW-UHFFFAOYSA-N 1 0 421.467 4.268 20 30 HIEDRO C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000492661424 904884344 /nfs/dbraw/zinc/88/43/44/904884344.db2.gz RAZRKFZYEYDIJB-QGZVFWFLSA-N 1 0 422.598 4.211 20 30 HIEDRO C=CCNC(=O)c1ccc(NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)nc1 ZINC000492947226 904959516 /nfs/dbraw/zinc/95/95/16/904959516.db2.gz AKYWVXKWHVJCSO-NRFANRHFSA-N 1 0 418.566 4.270 20 30 HIEDRO C=CCNC(=O)c1ccc(NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)nc1 ZINC000492947229 904959977 /nfs/dbraw/zinc/95/99/77/904959977.db2.gz AKYWVXKWHVJCSO-OAQYLSRUSA-N 1 0 418.566 4.270 20 30 HIEDRO N#Cc1ccc(CN2CCC[N@@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)cc1 ZINC000506262061 914870514 /nfs/dbraw/zinc/87/05/14/914870514.db2.gz MHIQMGBYDKXIOM-UHFFFAOYSA-N 1 0 405.933 4.310 20 30 HIEDRO Cn1cc(C[N@H+](C)Cc2ccc(Br)c(F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000494268895 905593251 /nfs/dbraw/zinc/59/32/51/905593251.db2.gz SLYPMKBFJTZABA-UHFFFAOYSA-N 1 0 413.294 4.492 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000494447415 905731213 /nfs/dbraw/zinc/73/12/13/905731213.db2.gz ZJZSLYMXXDWOTB-BEVDRBHNSA-N 1 0 404.963 4.424 20 30 HIEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494455057 905737379 /nfs/dbraw/zinc/73/73/79/905737379.db2.gz LPEBJQDBZUIVQF-ZNLUXHQJSA-N 1 0 405.897 4.067 20 30 HIEDRO Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000494622805 905868822 /nfs/dbraw/zinc/86/88/22/905868822.db2.gz BXLPEYAZTYKHMS-LJQANCHMSA-N 1 0 414.575 4.113 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2cc(Br)ccc2Cl)CC1 ZINC000494806976 906007512 /nfs/dbraw/zinc/00/75/12/906007512.db2.gz CXSRWICSJOKFNR-UHFFFAOYSA-N 1 0 414.775 4.284 20 30 HIEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000495259246 906346099 /nfs/dbraw/zinc/34/60/99/906346099.db2.gz KOUSUPLMFWEKQD-IEBWSBKVSA-N 1 0 410.331 4.073 20 30 HIEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccco1 ZINC000496247910 906638481 /nfs/dbraw/zinc/63/84/81/906638481.db2.gz UPRWULIPEQRBIO-RLHVNXBHSA-N 1 0 424.545 4.270 20 30 HIEDRO N#C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1cccc(Br)c1 ZINC000496274791 906646602 /nfs/dbraw/zinc/64/66/02/906646602.db2.gz YZXPUAQHTOJVBS-HXUWFJFHSA-N 1 0 412.331 4.042 20 30 HIEDRO CCCOc1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1OC ZINC000512604913 921257504 /nfs/dbraw/zinc/25/75/04/921257504.db2.gz SLPSRHILUIVDBT-UHFFFAOYSA-N 1 0 407.514 4.206 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000496568612 906710826 /nfs/dbraw/zinc/71/08/26/906710826.db2.gz GDVVEURMAYAGDQ-FQEVSTJZSA-N 1 0 403.615 4.452 20 30 HIEDRO CC[N@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497590876 907072272 /nfs/dbraw/zinc/07/22/72/907072272.db2.gz PMXGSRLBHZAYRZ-INIZCTEOSA-N 1 0 419.447 4.199 20 30 HIEDRO CCN(C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)C1CCCCC1 ZINC000512801301 921314298 /nfs/dbraw/zinc/31/42/98/921314298.db2.gz LBJANXAMSRSBGS-QGZVFWFLSA-N 1 0 401.526 4.110 20 30 HIEDRO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512805380 921315249 /nfs/dbraw/zinc/31/52/49/921315249.db2.gz GGTZNBSMPRKBHU-LJQANCHMSA-N 1 0 423.532 4.366 20 30 HIEDRO CN1CCO[C@@H]([C@H]([NH2+]Cc2cccc(OCCCC#N)c2)c2ccc(Cl)cc2)C1 ZINC000498366731 907860812 /nfs/dbraw/zinc/86/08/12/907860812.db2.gz YWCFDITXJOJAGX-DHIUTWEWSA-N 1 0 413.949 4.184 20 30 HIEDRO C[C@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512853278 921359010 /nfs/dbraw/zinc/35/90/10/921359010.db2.gz VSUWKJZGHSSWSX-FPOVZHCZSA-N 1 0 402.542 4.256 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000498380463 907869528 /nfs/dbraw/zinc/86/95/28/907869528.db2.gz IIBUIOZUZAZOIN-WOJBJXKFSA-N 1 0 415.459 4.271 20 30 HIEDRO Cc1cccc(-c2nc(CC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cs2)c1 ZINC000498383004 907871718 /nfs/dbraw/zinc/87/17/18/907871718.db2.gz OLYFZRWMXCKLMR-UHFFFAOYSA-N 1 0 418.566 4.123 20 30 HIEDRO C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498701922 908127191 /nfs/dbraw/zinc/12/71/91/908127191.db2.gz HUEKCVPXPXHJDZ-CVDCTZTESA-N 1 0 402.542 4.143 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000512899859 921392141 /nfs/dbraw/zinc/39/21/41/921392141.db2.gz BFSHMGNRYIUBKQ-DEOSSOPVSA-N 1 0 420.557 4.346 20 30 HIEDRO N#C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000499403550 908768051 /nfs/dbraw/zinc/76/80/51/908768051.db2.gz FECSACWOSZRVBV-HXUWFJFHSA-N 1 0 412.331 4.042 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cc1)C1CC1 ZINC000499409519 908773434 /nfs/dbraw/zinc/77/34/34/908773434.db2.gz VYJGHHJOZKHULN-HXUWFJFHSA-N 1 0 412.331 4.428 20 30 HIEDRO COCC[N@H+](C)CCCC1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000500163661 909646437 /nfs/dbraw/zinc/64/64/37/909646437.db2.gz SWYJKORAKPYWEM-UHFFFAOYSA-N 1 0 419.569 4.436 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)c1ccc(SC)cc1 ZINC000500247126 909736242 /nfs/dbraw/zinc/73/62/42/909736242.db2.gz VRQPWHBWICWQTO-INIZCTEOSA-N 1 0 414.575 4.024 20 30 HIEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)Cc3cccc(C#N)c3)cc2)C1 ZINC000500641843 909986686 /nfs/dbraw/zinc/98/66/86/909986686.db2.gz KBMDXLGLUGQNDZ-PMACEKPBSA-N 1 0 404.558 4.378 20 30 HIEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)N(C)Cc3ccc(C#N)cc3)cc2)C1 ZINC000500646107 909990797 /nfs/dbraw/zinc/99/07/97/909990797.db2.gz QADBOAWZFBJNIJ-BGYRXZFFSA-N 1 0 404.558 4.378 20 30 HIEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000513103141 921551460 /nfs/dbraw/zinc/55/14/60/921551460.db2.gz RFVOHJINZWIFSG-UHFFFAOYSA-N 1 0 420.492 4.045 20 30 HIEDRO N#Cc1cccc(-c2csc(NC(=O)c3ccc(C[NH+]4CCSCC4)cc3)n2)c1 ZINC000501171065 910340644 /nfs/dbraw/zinc/34/06/44/910340644.db2.gz CVLXQPBCTYWRFR-UHFFFAOYSA-N 1 0 420.563 4.483 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000502152943 911074808 /nfs/dbraw/zinc/07/48/08/911074808.db2.gz CWUFMUJTDNZVDL-NZQKXSOJSA-N 1 0 409.578 4.072 20 30 HIEDRO N#Cc1ccc(OCc2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)o2)cc1 ZINC000513216470 921631270 /nfs/dbraw/zinc/63/12/70/921631270.db2.gz CQVQTIIWFZCGAM-NRFANRHFSA-N 1 0 415.493 4.125 20 30 HIEDRO CCOc1cccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1OC(F)F ZINC000506296427 914891852 /nfs/dbraw/zinc/89/18/52/914891852.db2.gz ZPUQCGKMBFKZCI-UHFFFAOYSA-N 1 0 415.484 4.266 20 30 HIEDRO Cc1ccc([C@H](OC[C@@H](O)C[N@@H+](C)Cc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000506340102 914956630 /nfs/dbraw/zinc/95/66/30/914956630.db2.gz RJDCVFAVPSKWOV-IZZNHLLZSA-N 1 0 400.522 4.466 20 30 HIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)ccc1OC ZINC000506632904 915301303 /nfs/dbraw/zinc/30/13/03/915301303.db2.gz UTGUVJNWLFKDAD-HXUWFJFHSA-N 1 0 410.562 4.348 20 30 HIEDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(OC)c(OC)c1 ZINC000506640286 915309852 /nfs/dbraw/zinc/30/98/52/915309852.db2.gz WZIWUDVHLFLQSD-GUYCJALGSA-N 1 0 413.543 4.194 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000506790122 915517688 /nfs/dbraw/zinc/51/76/88/915517688.db2.gz LHJYMMJXKNZLCA-IBGZPJMESA-N 1 0 413.468 4.441 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000506916920 915716357 /nfs/dbraw/zinc/71/63/57/915716357.db2.gz KHDZSNPWDMVMEE-UYAOXDASSA-N 1 0 421.507 4.353 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1ccc2n[nH]cc2c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000507221241 915975137 /nfs/dbraw/zinc/97/51/37/915975137.db2.gz HFXOXJZMISPYHU-ZIAGYGMSSA-N 1 0 407.543 4.443 20 30 HIEDRO CC[N@H+](CCC1CCN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CC1)CC(C)C ZINC000507350423 916104399 /nfs/dbraw/zinc/10/43/99/916104399.db2.gz YMTZXWWOUWFISB-UHFFFAOYSA-N 1 0 421.589 4.273 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccccc3OCc3ccncc3)CC2)nc1 ZINC000507717076 916509882 /nfs/dbraw/zinc/50/98/82/916509882.db2.gz IZIMAMVLGUOCOP-UHFFFAOYSA-N 1 0 414.509 4.407 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cc(Br)ccc3F)CC2)nc1 ZINC000507770439 916556484 /nfs/dbraw/zinc/55/64/84/916556484.db2.gz XHLUPPDLYIJKRH-UHFFFAOYSA-N 1 0 404.283 4.335 20 30 HIEDRO CC(C)(CCC#N)C[NH+]1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000508012084 916850354 /nfs/dbraw/zinc/85/03/54/916850354.db2.gz CTXWEMNDJRBLNB-UHFFFAOYSA-N 1 0 405.542 4.353 20 30 HIEDRO C=CCOc1ccc(CNC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000508448926 917233128 /nfs/dbraw/zinc/23/31/28/917233128.db2.gz VHUJKUUDDFTEJI-UHFFFAOYSA-N 1 0 419.569 4.449 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508472162 917256168 /nfs/dbraw/zinc/25/61/68/917256168.db2.gz IWQYWVPCJLYKLB-RTWAWAEBSA-N 1 0 409.578 4.286 20 30 HIEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508498240 917282928 /nfs/dbraw/zinc/28/29/28/917282928.db2.gz QRSBOXBPVMOXLM-MLDBQTBOSA-N 1 0 421.589 4.053 20 30 HIEDRO C[C@@H]([NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508719644 917481159 /nfs/dbraw/zinc/48/11/59/917481159.db2.gz LGNJJGDOKKDGQC-VJGHCQHZSA-N 1 0 404.558 4.143 20 30 HIEDRO C=CCn1c(CCCc2cccs2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508791250 917547471 /nfs/dbraw/zinc/54/74/71/917547471.db2.gz ADHSIXKKCYTCRG-RXVVDRJESA-N 1 0 411.619 4.154 20 30 HIEDRO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508828484 917581909 /nfs/dbraw/zinc/58/19/09/917581909.db2.gz UYGQUOUBXYDLKN-MZKRTTBSSA-N 1 0 421.589 4.231 20 30 HIEDRO C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508841070 917592624 /nfs/dbraw/zinc/59/26/24/917592624.db2.gz OLJABZQOFCPIPR-MRXNPFEDSA-N 1 0 407.484 4.318 20 30 HIEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000508851360 917604336 /nfs/dbraw/zinc/60/43/36/917604336.db2.gz GVZJGQBZOVLUKS-YADARESESA-N 1 0 420.557 4.111 20 30 HIEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508883775 917637945 /nfs/dbraw/zinc/63/79/45/917637945.db2.gz CPIMUUHQEVPNSV-FGZHOGPDSA-N 1 0 423.605 4.176 20 30 HIEDRO C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508911329 917668839 /nfs/dbraw/zinc/66/88/39/917668839.db2.gz AELXPCXZMMGMDX-PKOBYXMFSA-N 1 0 415.969 4.322 20 30 HIEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000508930353 917688230 /nfs/dbraw/zinc/68/82/30/917688230.db2.gz KYMHAUOAWVCFHV-WMZHIEFXSA-N 1 0 417.557 4.037 20 30 HIEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000508930197 917688512 /nfs/dbraw/zinc/68/85/12/917688512.db2.gz KKHSCAIIQOQZOF-FQEVSTJZSA-N 1 0 408.594 4.315 20 30 HIEDRO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000508933920 917692102 /nfs/dbraw/zinc/69/21/02/917692102.db2.gz HTJIGSQPQBEFSS-IBGZPJMESA-N 1 0 424.549 4.132 20 30 HIEDRO C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000509000358 917754803 /nfs/dbraw/zinc/75/48/03/917754803.db2.gz JWTHEHFFRLZYFL-MRXNPFEDSA-N 1 0 418.383 4.062 20 30 HIEDRO C[C@H](OC[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000509062490 917809923 /nfs/dbraw/zinc/80/99/23/917809923.db2.gz GXCWHTLFWAQJRY-UWJYYQICSA-N 1 0 414.933 4.194 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1C#N ZINC000509500974 918146510 /nfs/dbraw/zinc/14/65/10/918146510.db2.gz BXWMVAKRXIVCJX-YJBOKZPZSA-N 1 0 406.555 4.118 20 30 HIEDRO COc1cccc(OC)c1OC1CC[NH+](Cc2cccc(OCCCC#N)c2)CC1 ZINC000510430776 918892855 /nfs/dbraw/zinc/89/28/55/918892855.db2.gz NOCFANXABVZHDC-UHFFFAOYSA-N 1 0 410.514 4.430 20 30 HIEDRO Cc1ccc([C@H](CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)[NH+]2CCCC2)o1 ZINC000510456273 918910314 /nfs/dbraw/zinc/91/03/14/918910314.db2.gz AOYFRTYRFWITLZ-QFIPXVFZSA-N 1 0 408.546 4.464 20 30 HIEDRO CC(C)CN(C(=O)c1ccc(OCc2ccccc2C#N)cc1)C1CC[NH+](C)CC1 ZINC000511058713 919654696 /nfs/dbraw/zinc/65/46/96/919654696.db2.gz ZBRKVPMZVBVBIG-UHFFFAOYSA-N 1 0 405.542 4.330 20 30 HIEDRO CC1(c2nc3ccccc3s2)CC[NH+]([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000511122517 919735516 /nfs/dbraw/zinc/73/55/16/919735516.db2.gz GVOUVAYKFXCLBH-HXUWFJFHSA-N 1 0 416.550 4.327 20 30 HIEDRO C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1=CC[N@H+](C)CC1 ZINC000511254960 919856721 /nfs/dbraw/zinc/85/67/21/919856721.db2.gz SVDKQTIZCGYNTK-GOSISDBHSA-N 1 0 406.505 4.060 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(F)cc1 ZINC000511264348 919863166 /nfs/dbraw/zinc/86/31/66/919863166.db2.gz DQPSINJXCIUHLY-HXUWFJFHSA-N 1 0 423.517 4.169 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cc1 ZINC000511391360 919999453 /nfs/dbraw/zinc/99/94/53/919999453.db2.gz OVRUHEFJFFSUMX-LJQANCHMSA-N 1 0 420.557 4.299 20 30 HIEDRO C[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511423490 920038669 /nfs/dbraw/zinc/03/86/69/920038669.db2.gz NHNPLRSASPWGHV-VDVMUDLUSA-N 1 0 424.589 4.200 20 30 HIEDRO N#CCCN(C(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21)c1cccc(Cl)c1 ZINC000511670220 920335940 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OHZSPYRXGAOIMH-XMSQKQJNSA-N 1 0 423.582 4.391 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000514511972 922664974 /nfs/dbraw/zinc/66/49/74/922664974.db2.gz OGXUCFZJUBJQKJ-KRWDZBQOSA-N 1 0 411.575 4.382 20 30 HIEDRO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccc(OCc4ccccc4C#N)cc3)n1)OC2 ZINC000514928403 922846844 /nfs/dbraw/zinc/84/68/44/922846844.db2.gz UNUVQJCMTAUVOX-QPPBQGQZSA-N 1 0 416.481 4.113 20 30 HIEDRO CCC[N@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)Cc1ccc(C#N)cc1 ZINC000515411015 923088705 /nfs/dbraw/zinc/08/87/05/923088705.db2.gz ZCZXFWZCUIREBM-MRXNPFEDSA-N 1 0 414.347 4.410 20 30 HIEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000515623908 923223087 /nfs/dbraw/zinc/22/30/87/923223087.db2.gz ARLSJCKPHMOWQW-HJNYFJLDSA-N 1 0 418.459 4.437 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000515805210 923362681 /nfs/dbraw/zinc/36/26/81/923362681.db2.gz TUSBPEXHODZMIY-HSZRJFAPSA-N 1 0 423.557 4.239 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000515961914 923462543 /nfs/dbraw/zinc/46/25/43/923462543.db2.gz RVSOPUVXMJEIPB-GOSISDBHSA-N 1 0 411.571 4.133 20 30 HIEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000516472308 923750740 /nfs/dbraw/zinc/75/07/40/923750740.db2.gz XXWVODATCSXXJY-LJQANCHMSA-N 1 0 423.532 4.211 20 30 HIEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CCC[N@H+](CC4CCC4)CC3)c2)c1 ZINC000516894321 923931975 /nfs/dbraw/zinc/93/19/75/923931975.db2.gz YLYHMDNPCVCPPK-UHFFFAOYSA-N 1 0 403.526 4.085 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2SCc2cn3ccccc3n2)CC1 ZINC000517310821 924095061 /nfs/dbraw/zinc/09/50/61/924095061.db2.gz ZTJXFIFWQULCKP-UHFFFAOYSA-N 1 0 406.555 4.007 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000517591965 926702112 /nfs/dbraw/zinc/70/21/12/926702112.db2.gz OELHCYVQAKMIJR-DNVCBOLYSA-N 1 0 404.495 4.241 20 30 HIEDRO CCN(C(=O)CCC[NH+]1CCN(c2ccccc2)CC1)[C@H](C)c1ccc(C#N)cc1 ZINC000517644078 926751129 /nfs/dbraw/zinc/75/11/29/926751129.db2.gz CQHXOBRWORSUGD-OAQYLSRUSA-N 1 0 404.558 4.070 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(OCc3ccccn3)c(Cl)c2)CC1 ZINC000518054378 926992522 /nfs/dbraw/zinc/99/25/22/926992522.db2.gz IVYVVTLRFFNJME-UHFFFAOYSA-N 1 0 400.910 4.086 20 30 HIEDRO C=CC[N@H+](Cc1ccc(OC(F)(F)F)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255405 927111464 /nfs/dbraw/zinc/11/14/64/927111464.db2.gz BQLQSCZCLOUBOW-OAHLLOKOSA-N 1 0 403.408 4.310 20 30 HIEDRO N#Cc1ccc(Oc2cccc(C(=O)NCC3([NH+]4CCCCC4)CCOCC3)c2)cc1 ZINC000518432693 927266647 /nfs/dbraw/zinc/26/66/47/927266647.db2.gz ZVJDADXPXKIAGP-UHFFFAOYSA-N 1 0 419.525 4.115 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cnc(-c2ccccc2F)s1 ZINC000518613638 927379918 /nfs/dbraw/zinc/37/99/18/927379918.db2.gz UVYXJGXTBPPRFG-UHFFFAOYSA-N 1 0 408.502 4.025 20 30 HIEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000518935376 927640323 /nfs/dbraw/zinc/64/03/23/927640323.db2.gz DDKRTBCFVAFAMK-GOSISDBHSA-N 1 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C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccc(C#Cc3ccccc3)cc2)cc1 ZINC000519394066 927918307 /nfs/dbraw/zinc/91/83/07/927918307.db2.gz SBSXLPJDIRYUKK-UHFFFAOYSA-N 1 0 411.505 4.229 20 30 HIEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000519609792 928026916 /nfs/dbraw/zinc/02/69/16/928026916.db2.gz UPCHMYFIQFNGRQ-OYRHEFFESA-N 1 0 424.552 4.181 20 30 HIEDRO CC[NH+](CC)CC1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000519902218 928136783 /nfs/dbraw/zinc/13/67/83/928136783.db2.gz DONUHOIWBYVKIA-UHFFFAOYSA-N 1 0 405.542 4.331 20 30 HIEDRO CC(C)C[N@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000520173192 928361757 /nfs/dbraw/zinc/36/17/57/928361757.db2.gz SNTMZVKMRQSSDZ-UHFFFAOYSA-N 1 0 415.484 4.276 20 30 HIEDRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000520649143 928699865 /nfs/dbraw/zinc/69/98/65/928699865.db2.gz XVKGVOKOBFSFBE-NIHHCSOHSA-N 1 0 413.443 4.371 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000520937705 928882810 /nfs/dbraw/zinc/88/28/10/928882810.db2.gz HFGYXVRPYFYRJX-QGZVFWFLSA-N 1 0 409.559 4.262 20 30 HIEDRO C=CCOc1cccc(NC(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000521211877 929062472 /nfs/dbraw/zinc/06/24/72/929062472.db2.gz YOJWRBLNFLDSFY-KRWDZBQOSA-N 1 0 412.509 4.025 20 30 HIEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000521605417 929326029 /nfs/dbraw/zinc/32/60/29/929326029.db2.gz LRPIGBIHUXPLBR-INIZCTEOSA-N 1 0 418.463 4.411 20 30 HIEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000524492334 929639984 /nfs/dbraw/zinc/63/99/84/929639984.db2.gz USBWNVXGAWGEIV-UHFFFAOYSA-N 1 0 413.521 4.341 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(Br)cc3F)C2)c(F)c1 ZINC000524688130 929800110 /nfs/dbraw/zinc/80/01/10/929800110.db2.gz ZTWWJMYSYUFRAB-INIZCTEOSA-N 1 0 406.274 4.358 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)ccc1OC ZINC000524947048 929908759 /nfs/dbraw/zinc/90/87/59/929908759.db2.gz LEKXNVWLFSZXGH-CJFMBICVSA-N 1 0 410.558 4.029 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C)c(NC(=O)Nc3ccccc3)c2)CC1 ZINC000524973239 929939047 /nfs/dbraw/zinc/93/90/47/929939047.db2.gz POZXPROMEATYKB-UHFFFAOYSA-N 1 0 406.530 4.409 20 30 HIEDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1NC(=O)CC(C)C ZINC000525142915 930060925 /nfs/dbraw/zinc/06/09/25/930060925.db2.gz ALSYJLMACIXJQP-UHFFFAOYSA-N 1 0 420.557 4.055 20 30 HIEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]Cc3ccc(OC)c(OCCCC#N)c3)ccc2NC1=O ZINC000525802569 930449694 /nfs/dbraw/zinc/44/96/94/930449694.db2.gz WEEPWQGUSMZTKM-JXFKEZNVSA-N 1 0 423.513 4.338 20 30 HIEDRO COc1ccc([C@H](CCn2cncn2)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)cc1 ZINC000527109562 930594071 /nfs/dbraw/zinc/59/40/71/930594071.db2.gz SYAQDKGSECAQJW-NRFANRHFSA-N 1 0 414.431 4.078 20 30 HIEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)CC1 ZINC000530740289 930813193 /nfs/dbraw/zinc/81/31/93/930813193.db2.gz YXMMCPWYWDLYDC-UHFFFAOYSA-N 1 0 416.447 4.069 20 30 HIEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C#N)c2c(Cl)cccc2Cl)CC1 ZINC000530965961 930870255 /nfs/dbraw/zinc/87/02/55/930870255.db2.gz GABYOKAKJBACKE-KRWDZBQOSA-N 1 0 403.313 4.294 20 30 HIEDRO C=CCc1cc(C[NH2+]CCC(=O)Nc2cc(C)c(Cl)cc2OC)cc(OC)c1O ZINC000531107915 930922259 /nfs/dbraw/zinc/92/22/59/930922259.db2.gz PVOUSKWCVRIHDP-UHFFFAOYSA-N 1 0 418.921 4.218 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1c(F)cc(C#N)cc1F ZINC000531504510 931082615 /nfs/dbraw/zinc/08/26/15/931082615.db2.gz IOOKWQPACZUIDR-UHFFFAOYSA-N 1 0 411.374 4.059 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000532578718 931536718 /nfs/dbraw/zinc/53/67/18/931536718.db2.gz PVZUFPWBVBAMME-SFHVURJKSA-N 1 0 422.598 4.033 20 30 HIEDRO COc1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000532584801 931542811 /nfs/dbraw/zinc/54/28/11/931542811.db2.gz RNPDRGMMZORAPN-QHCPKHFHSA-N 1 0 405.542 4.064 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2ccc3c(c2)COC3)cc1OC ZINC000532724693 931609791 /nfs/dbraw/zinc/60/97/91/931609791.db2.gz LYXDNLUSYPLVJO-UHFFFAOYSA-N 1 0 404.304 4.343 20 30 HIEDRO CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(OC)c(OC)c1 ZINC000532739206 931618646 /nfs/dbraw/zinc/61/86/46/931618646.db2.gz GDTXLITVMYUJQG-UHFFFAOYSA-N 1 0 401.894 4.080 20 30 HIEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC1 ZINC000532791624 931631849 /nfs/dbraw/zinc/63/18/49/931631849.db2.gz UAPHWQIEQFDAHA-UHFFFAOYSA-N 1 0 403.511 4.240 20 30 HIEDRO COc1cc(CN2CC[C@H]([NH+]3CCCCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000532961732 931715986 /nfs/dbraw/zinc/71/59/86/931715986.db2.gz VNGYBZQIHIHJAF-QHCPKHFHSA-N 1 0 405.542 4.206 20 30 HIEDRO CC[N@H+](CCOc1ccc(Br)cc1)CCC(=O)Nc1sccc1C#N ZINC000532972021 931721008 /nfs/dbraw/zinc/72/10/08/931721008.db2.gz KMODWTBCNUPKOW-UHFFFAOYSA-N 1 0 422.348 4.112 20 30 HIEDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@@H]1C ZINC000532988274 931728326 /nfs/dbraw/zinc/72/83/26/931728326.db2.gz SPGIJNILFJURLD-LAUBAEHRSA-N 1 0 413.610 4.225 20 30 HIEDRO CCN(CC)C(=O)c1ccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1 ZINC000533254849 931820539 /nfs/dbraw/zinc/82/05/39/931820539.db2.gz ACQHBYVJBGMISM-UHFFFAOYSA-N 1 0 420.557 4.137 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCC[N@@H+](C4CCCC4)CC3)sc2C1 ZINC000533289794 931829316 /nfs/dbraw/zinc/82/93/16/931829316.db2.gz CVHDIESSFFEIAD-KRWDZBQOSA-N 1 0 414.619 4.023 20 30 HIEDRO CCC[NH+]1CCC(N(C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1 ZINC000533310414 931835913 /nfs/dbraw/zinc/83/59/13/931835913.db2.gz PJWIQCCBIFXKJQ-UHFFFAOYSA-N 1 0 407.558 4.452 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000533375451 931852637 /nfs/dbraw/zinc/85/26/37/931852637.db2.gz ZHICNSFZXZLGIM-UXHICEINSA-N 1 0 402.583 4.146 20 30 HIEDRO Cc1nc2c(s1)[C@H]([N@H+](C)CCC(=O)Nc1sc3c(c1C#N)CCC3)CCC2 ZINC000533386279 931855269 /nfs/dbraw/zinc/85/52/69/931855269.db2.gz HXKUBNUYMSWELX-MRXNPFEDSA-N 1 0 400.573 4.211 20 30 HIEDRO CCC(CC)[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CC1 ZINC000533403820 931859506 /nfs/dbraw/zinc/85/95/06/931859506.db2.gz BBXIAEHEHZDPFH-IBGZPJMESA-N 1 0 412.578 4.009 20 30 HIEDRO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(c4c[nH]c5cc(F)ccc54)CC3)C2=O)cc1 ZINC000533423307 931863626 /nfs/dbraw/zinc/86/36/26/931863626.db2.gz JDKWPPLCXCTTAC-QHCPKHFHSA-N 1 0 402.473 4.164 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000533487366 931882720 /nfs/dbraw/zinc/88/27/20/931882720.db2.gz JVADRFWJTHVPBM-QHCPKHFHSA-N 1 0 420.557 4.104 20 30 HIEDRO N#Cc1ccsc1NC(=O)CC[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000533508136 931888666 /nfs/dbraw/zinc/88/86/66/931888666.db2.gz PDGWXOLXKKENTK-UHFFFAOYSA-N 1 0 419.550 4.422 20 30 HIEDRO Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000533761780 932016661 /nfs/dbraw/zinc/01/66/61/932016661.db2.gz PSMOHLSTVNVGBI-LJQANCHMSA-N 1 0 421.932 4.363 20 30 HIEDRO C[N@@H+]1CC[C@H](CNC(=O)CSc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534222187 932341263 /nfs/dbraw/zinc/34/12/63/932341263.db2.gz RFLOOKWBLHLXGX-IIBYNOLFSA-N 1 0 417.937 4.252 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc2c1CN(c1ccccn1)C2)C(C)C ZINC000534599307 932586012 /nfs/dbraw/zinc/58/60/12/932586012.db2.gz YXLLIZWKCCWQLX-HSZRJFAPSA-N 1 0 419.573 4.422 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000534968772 932867384 /nfs/dbraw/zinc/86/73/84/932867384.db2.gz YIUWVTBBPWNUCA-HNNXBMFYSA-N 1 0 400.523 4.461 20 30 HIEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534970354 932868060 /nfs/dbraw/zinc/86/80/60/932868060.db2.gz AUSVURONVMWCKR-NQIIRXRSSA-N 1 0 414.912 4.185 20 30 HIEDRO C=C(C)[C@H](CC(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)OCC ZINC000535154710 932971802 /nfs/dbraw/zinc/97/18/02/932971802.db2.gz PRSXIKYPBZAJRR-FQEVSTJZSA-N 1 0 412.496 4.500 20 30 HIEDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(CC#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535676127 933325139 /nfs/dbraw/zinc/32/51/39/933325139.db2.gz OGNPASJNDUZZCH-OXQOHEQNSA-N 1 0 400.885 4.360 20 30 HIEDRO Cc1nc(SCC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c(C#N)c(C)c1C ZINC000535812232 933407159 /nfs/dbraw/zinc/40/71/59/933407159.db2.gz NLAAQBFOSGAPHX-UHFFFAOYSA-N 1 0 408.571 4.248 20 30 HIEDRO COc1ccc([C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C2CC2)cc1 ZINC000537287824 933698286 /nfs/dbraw/zinc/69/82/86/933698286.db2.gz QBSLKRDBALPRNI-GAJHUEQPSA-N 1 0 407.514 4.080 20 30 HIEDRO Cc1cc(F)ccc1N1CCC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000537288700 933699972 /nfs/dbraw/zinc/69/99/72/933699972.db2.gz PFPPRHZMHZFBRB-DEOSSOPVSA-N 1 0 406.549 4.229 20 30 HIEDRO Cc1cc(C)n(-c2ccc(CC[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)cc2)n1 ZINC000537296365 933702333 /nfs/dbraw/zinc/70/23/33/933702333.db2.gz ZDJMTHITAVDCQM-UHFFFAOYSA-N 1 0 413.569 4.158 20 30 HIEDRO CC(C)CC(=O)Nc1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000537296770 933702676 /nfs/dbraw/zinc/70/26/76/933702676.db2.gz ZUSPVWPEOXZMNG-UHFFFAOYSA-N 1 0 404.558 4.297 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cccc(NC(=O)C4CCC4)c3)CC2)cc1 ZINC000537297272 933703111 /nfs/dbraw/zinc/70/31/11/933703111.db2.gz SBZQEJYIVQBLAF-UHFFFAOYSA-N 1 0 402.542 4.051 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000537628519 938340067 /nfs/dbraw/zinc/34/00/67/938340067.db2.gz OXSZSXZEMXFJMA-UHFFFAOYSA-N 1 0 419.573 4.125 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)cc1OC ZINC000537648835 938346616 /nfs/dbraw/zinc/34/66/16/938346616.db2.gz VSXVXFUAOORTPR-QGZVFWFLSA-N 1 0 410.352 4.271 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3cnc(SC4CCCC4)nc3)CC2)cc1 ZINC000563311644 945174576 /nfs/dbraw/zinc/17/45/76/945174576.db2.gz SZXQTOSAXWOYSG-UHFFFAOYSA-N 1 0 421.614 4.180 20 30 HIEDRO COCCC[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000537988210 938450711 /nfs/dbraw/zinc/45/07/11/938450711.db2.gz QTPQHMALNKLYNF-FQEVSTJZSA-N 1 0 403.320 4.457 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(OC(C)C)c1 ZINC000538126032 938511580 /nfs/dbraw/zinc/51/15/80/938511580.db2.gz SNGXDIUJWACSAE-MOPGFXCFSA-N 1 0 409.530 4.468 20 30 HIEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc(OCc2ccccn2)c1 ZINC000538152247 938524595 /nfs/dbraw/zinc/52/45/95/938524595.db2.gz VRDVYBPLOBJGPJ-GOSISDBHSA-N 1 0 400.482 4.212 20 30 HIEDRO CC(C)[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000538158582 938528837 /nfs/dbraw/zinc/52/88/37/938528837.db2.gz HTTNVQWWXKYJMM-LJQANCHMSA-N 1 0 410.461 4.338 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)c1C#N ZINC000538186794 938543151 /nfs/dbraw/zinc/54/31/51/938543151.db2.gz BSCIRCCZYLLSKQ-HYBUGGRVSA-N 1 0 420.557 4.398 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000538233609 938567776 /nfs/dbraw/zinc/56/77/76/938567776.db2.gz XFPHNZYMEDKXPN-OAHLLOKOSA-N 1 0 409.511 4.027 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000538233608 938568119 /nfs/dbraw/zinc/56/81/19/938568119.db2.gz XFPHNZYMEDKXPN-HNNXBMFYSA-N 1 0 409.511 4.027 20 30 HIEDRO COc1ccccc1-c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000538261845 938577758 /nfs/dbraw/zinc/57/77/58/938577758.db2.gz XYIZIAHIGMIBHP-GOSISDBHSA-N 1 0 420.534 4.358 20 30 HIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000538266926 938578996 /nfs/dbraw/zinc/57/89/96/938578996.db2.gz RRDUNQQAUPNAGY-GJZGRUSLSA-N 1 0 407.905 4.384 20 30 HIEDRO COc1ccc(C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccc(OC)cc2)cc1 ZINC000538304158 938588307 /nfs/dbraw/zinc/58/83/07/938588307.db2.gz DJPKLXPNPKQJCZ-DEOSSOPVSA-N 1 0 412.493 4.297 20 30 HIEDRO COc1ccc(C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccc(OC)cc2)cc1 ZINC000538304160 938588318 /nfs/dbraw/zinc/58/83/18/938588318.db2.gz DJPKLXPNPKQJCZ-XMMPIXPASA-N 1 0 412.493 4.297 20 30 HIEDRO N#CCCn1cc(C[NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)c(-c2ccccc2)n1 ZINC000538487168 938633360 /nfs/dbraw/zinc/63/33/60/938633360.db2.gz QWJBMEPCAQXCCA-NRFANRHFSA-N 1 0 405.933 4.486 20 30 HIEDRO N#CCCn1cc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)c(-c2ccccc2)n1 ZINC000538501141 938636516 /nfs/dbraw/zinc/63/65/16/938636516.db2.gz SIZSCYWBTYJKBM-LJQANCHMSA-N 1 0 419.916 4.012 20 30 HIEDRO C[C@@H]([NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000538507985 938638373 /nfs/dbraw/zinc/63/83/73/938638373.db2.gz PQJYOOAXFDHCIM-VFNWGFHPSA-N 1 0 421.438 4.440 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC(CN4CCCCC4=O)CC3)c2)c1 ZINC000538737309 938697451 /nfs/dbraw/zinc/69/74/51/938697451.db2.gz VENNHXGXMFLZRN-UHFFFAOYSA-N 1 0 417.553 4.362 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)cc1OCC ZINC000538751808 938702341 /nfs/dbraw/zinc/70/23/41/938702341.db2.gz OUGLWVFAUMJPLU-SJORKVTESA-N 1 0 410.352 4.271 20 30 HIEDRO CC[C@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000538787975 938711665 /nfs/dbraw/zinc/71/16/65/938711665.db2.gz CHHHITNKZNHTJX-JOCHJYFZSA-N 1 0 419.529 4.425 20 30 HIEDRO N#Cc1ccccc1CSCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000539072281 938793720 /nfs/dbraw/zinc/79/37/20/938793720.db2.gz PDWLZLUSFAXQME-UHFFFAOYSA-N 1 0 413.974 4.339 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(OCc2cccnc2)cc1 ZINC000539225130 938821437 /nfs/dbraw/zinc/82/14/37/938821437.db2.gz FTRUDXZNPXXTKS-INIZCTEOSA-N 1 0 420.900 4.475 20 30 HIEDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)cc1 ZINC000539234977 938822960 /nfs/dbraw/zinc/82/29/60/938822960.db2.gz YCJNKHKRMAJMRF-ICSRJNTNSA-N 1 0 420.557 4.015 20 30 HIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1-n1cccn1 ZINC000539262410 938829104 /nfs/dbraw/zinc/82/91/04/938829104.db2.gz HJDCNFKSCVFZQL-MRXNPFEDSA-N 1 0 419.554 4.364 20 30 HIEDRO CCC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000539261193 938829246 /nfs/dbraw/zinc/82/92/46/938829246.db2.gz MGXXZEAPRPZETD-LJQANCHMSA-N 1 0 410.461 4.482 20 30 HIEDRO CC(C)Oc1ccc([C@H](C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000539262755 938829470 /nfs/dbraw/zinc/82/94/70/938829470.db2.gz KHRCTNLOIKKSAI-KRWDZBQOSA-N 1 0 418.459 4.311 20 30 HIEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)c1 ZINC000539279242 938832382 /nfs/dbraw/zinc/83/23/82/938832382.db2.gz BOSUQBVWGGDELC-NRFANRHFSA-N 1 0 412.331 4.068 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000539278756 938832505 /nfs/dbraw/zinc/83/25/05/938832505.db2.gz GCLIQPZYKRUHBQ-OAHLLOKOSA-N 1 0 400.866 4.154 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(OC)c(OC)cc1C ZINC000539299486 938836387 /nfs/dbraw/zinc/83/63/87/938836387.db2.gz UDRGKHQXNMPNIQ-DLBZAZTESA-N 1 0 402.560 4.328 20 30 HIEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccc(OCC3CC3)c(F)c2)c(C#N)c1C ZINC000539325698 938841657 /nfs/dbraw/zinc/84/16/57/938841657.db2.gz OZYMQJJWRCWTBB-CYBMUJFWSA-N 1 0 401.507 4.454 20 30 HIEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC000539337173 938844356 /nfs/dbraw/zinc/84/43/56/938844356.db2.gz OQQUHTYVLRPULD-KRWDZBQOSA-N 1 0 407.905 4.123 20 30 HIEDRO Cc1ccc(S(=O)(=O)NC[C@H]([NH2+]CCCC(C)(C)C#N)c2ccccc2)c(C)c1 ZINC000539356759 938847547 /nfs/dbraw/zinc/84/75/47/938847547.db2.gz LEPYNOVBZFGUPK-NRFANRHFSA-N 1 0 413.587 4.243 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCCN(c4ccccc4Cl)C3)CC2)cc1 ZINC000539494886 938868625 /nfs/dbraw/zinc/86/86/25/938868625.db2.gz TZSHJDFEKJMACR-JOCHJYFZSA-N 1 0 408.977 4.435 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)c1 ZINC000539635329 938891434 /nfs/dbraw/zinc/89/14/34/938891434.db2.gz SRQMBVKRUNZSIJ-HXUWFJFHSA-N 1 0 401.869 4.057 20 30 HIEDRO C=CCOc1c(Br)cc(CN(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1OC ZINC000539818820 938942294 /nfs/dbraw/zinc/94/22/94/938942294.db2.gz NVWHFSVGTSTAMM-WBVHZDCISA-N 1 0 411.384 4.327 20 30 HIEDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000539827656 938948114 /nfs/dbraw/zinc/94/81/14/938948114.db2.gz PEJHMYRWFKSIJK-RUZDIDTESA-N 1 0 402.494 4.311 20 30 HIEDRO N#CCCn1cc(CNc2ccccc2C[NH+]2CCC(O)CC2)c(-c2ccccc2)n1 ZINC000539920136 938978027 /nfs/dbraw/zinc/97/80/27/938978027.db2.gz BXFUWFYUSGJINL-UHFFFAOYSA-N 1 0 415.541 4.033 20 30 HIEDRO CC[C@@H](CSC)[N@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000540199540 939123193 /nfs/dbraw/zinc/12/31/93/939123193.db2.gz YWNCPWISGYJSQE-KRWDZBQOSA-N 1 0 402.564 4.020 20 30 HIEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(Oc2ccccc2)cc1 ZINC000540363207 939210795 /nfs/dbraw/zinc/21/07/95/939210795.db2.gz UJGWLIQBEIYQFV-SFHVURJKSA-N 1 0 406.507 4.475 20 30 HIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cccc(-n2cccn2)c1 ZINC000540388087 939224441 /nfs/dbraw/zinc/22/44/41/939224441.db2.gz MWTKMSDKMXLVRX-MRXNPFEDSA-N 1 0 419.554 4.364 20 30 HIEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2(c3cccc(C(F)(F)F)c3)CCC2)cc1 ZINC000540457030 939258581 /nfs/dbraw/zinc/25/85/81/939258581.db2.gz UMJWWORXCXRUKV-UHFFFAOYSA-N 1 0 408.445 4.020 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1C(F)(F)F ZINC000540459885 939261305 /nfs/dbraw/zinc/26/13/05/939261305.db2.gz TUDSAQDJQBMPNE-CQSZACIVSA-N 1 0 413.403 4.052 20 30 HIEDRO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+][C@H](C)c3ccc(C#N)cc3)c2)cc1 ZINC000540593694 939313531 /nfs/dbraw/zinc/31/35/31/939313531.db2.gz JKXDHDGOKBJUJS-QGZVFWFLSA-N 1 0 421.522 4.218 20 30 HIEDRO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540595834 939314781 /nfs/dbraw/zinc/31/47/81/939314781.db2.gz FNXZWYVMIJKYJM-RLWLMLJZSA-N 1 0 402.586 4.023 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(NCc3nccn3CCCc3ccccc3)CC2)cc1 ZINC000540595876 939314844 /nfs/dbraw/zinc/31/48/44/939314844.db2.gz HBETWRWGIFYKDV-UHFFFAOYSA-N 1 0 413.569 4.142 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(N4CCCCCC4)nc3)CC2)cc1 ZINC000540597634 939315342 /nfs/dbraw/zinc/31/53/42/939315342.db2.gz QNXDOFMRXNGHKP-UHFFFAOYSA-N 1 0 403.574 4.088 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)CSc1ccc(C#N)c(C(F)(F)F)c1)c1ccccc1 ZINC000541074703 939451360 /nfs/dbraw/zinc/45/13/60/939451360.db2.gz ZMAUDZQHBPFLMG-GOSISDBHSA-N 1 0 407.461 4.088 20 30 HIEDRO C[C@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541126008 939469920 /nfs/dbraw/zinc/46/99/20/939469920.db2.gz SPYAVBUPZBDEMA-ZCNNSNEGSA-N 1 0 420.557 4.085 20 30 HIEDRO CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)C[NH+]1CCC(CC#N)CC1 ZINC000541954113 939661492 /nfs/dbraw/zinc/66/14/92/939661492.db2.gz FFVGIPKHCZWPJG-UHFFFAOYSA-N 1 0 405.542 4.240 20 30 HIEDRO CCc1ccc([C@H](CO)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)cc1 ZINC000541982981 939669818 /nfs/dbraw/zinc/66/98/18/939669818.db2.gz DDDMULWWGRCPTL-QHCPKHFHSA-N 1 0 422.573 4.306 20 30 HIEDRO C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542020009 939688430 /nfs/dbraw/zinc/68/84/30/939688430.db2.gz UKURQDYQIJZWDI-GAJHUEQPSA-N 1 0 417.465 4.224 20 30 HIEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000542586108 939846535 /nfs/dbraw/zinc/84/65/35/939846535.db2.gz YCQHGZBJGVJJLT-LIRRHRJNSA-N 1 0 411.502 4.220 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1Oc2ccccc2[C@H]1C ZINC000542617566 939849015 /nfs/dbraw/zinc/84/90/15/939849015.db2.gz BXQPREJIADQMNZ-ZCCHDVMBSA-N 1 0 409.555 4.370 20 30 HIEDRO Cc1sc(NC(=O)C[N@@H+](C)[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(C#N)c1C ZINC000542629184 939850331 /nfs/dbraw/zinc/85/03/31/939850331.db2.gz XLUQASXVWOFGIL-PKOBYXMFSA-N 1 0 401.507 4.166 20 30 HIEDRO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1Cl ZINC000542719660 939856447 /nfs/dbraw/zinc/85/64/47/939856447.db2.gz STPQCGUVGCMSGN-KRWDZBQOSA-N 1 0 407.823 4.235 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)NCc1cc(F)cc(F)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542947905 939883995 /nfs/dbraw/zinc/88/39/95/939883995.db2.gz MYPDJARCXSOZDK-MRXNPFEDSA-N 1 0 405.448 4.470 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)c1ccccc1 ZINC000542955804 939885384 /nfs/dbraw/zinc/88/53/84/939885384.db2.gz NNXPSEJLAQZKPP-NRFANRHFSA-N 1 0 420.492 4.088 20 30 HIEDRO C[C@@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542982003 939891289 /nfs/dbraw/zinc/89/12/89/939891289.db2.gz YHNKBLVJNYIFRV-GOSISDBHSA-N 1 0 402.542 4.460 20 30 HIEDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543029177 939898448 /nfs/dbraw/zinc/89/84/48/939898448.db2.gz AEDBSMKSZYGXHB-HOYKHHGWSA-N 1 0 405.542 4.196 20 30 HIEDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)Nc3oc(C)c(C)c3C#N)s2)cc1 ZINC000543500323 940086656 /nfs/dbraw/zinc/08/66/56/940086656.db2.gz YVXPSEUTMUJULP-CYBMUJFWSA-N 1 0 424.526 4.498 20 30 HIEDRO C=CCn1c(-c2ncccc2C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000563780431 945300650 /nfs/dbraw/zinc/30/06/50/945300650.db2.gz GODLNSGSMLFILG-IRLDBZIGSA-N 1 0 416.573 4.324 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000543861593 940214099 /nfs/dbraw/zinc/21/40/99/940214099.db2.gz SIPKSTLEJMHIAF-IRXDYDNUSA-N 1 0 412.493 4.002 20 30 HIEDRO C[C@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@H]21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543869893 940217427 /nfs/dbraw/zinc/21/74/27/940217427.db2.gz HLBCVPITINEMJB-NTUVXCKYSA-N 1 0 403.526 4.046 20 30 HIEDRO COc1cccc2c1CC[N@H+](CCC(=O)Nc1sc3c(c1C#N)CC[C@@H](C)C3)C2 ZINC000543873379 940219411 /nfs/dbraw/zinc/21/94/11/940219411.db2.gz NVPKWVHHMCXCIB-OAHLLOKOSA-N 1 0 409.555 4.140 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1nnc(-c2ccco2)o1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543873406 940220218 /nfs/dbraw/zinc/22/02/18/940220218.db2.gz PSHBSSLMPIJDBQ-OAHLLOKOSA-N 1 0 413.437 4.158 20 30 HIEDRO Cc1csc2nc(C[NH2+][C@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc(=O)n12 ZINC000543875048 940221113 /nfs/dbraw/zinc/22/11/13/940221113.db2.gz FWWGZDMNPWVSBA-MRXNPFEDSA-N 1 0 400.507 4.454 20 30 HIEDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000544416353 940417724 /nfs/dbraw/zinc/41/77/24/940417724.db2.gz WUJIZMNBOPRVEY-NRFANRHFSA-N 1 0 410.564 4.276 20 30 HIEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000544462524 940441666 /nfs/dbraw/zinc/44/16/66/940441666.db2.gz ZAPNOLGEFCIYPH-CABCVRRESA-N 1 0 410.461 4.133 20 30 HIEDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@@H](O)COc3ccc(C#N)cc3)s2)cc1 ZINC000544465659 940442996 /nfs/dbraw/zinc/44/29/96/940442996.db2.gz YQJYTYHYECIZJK-DNVCBOLYSA-N 1 0 423.538 4.089 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)c1C#N ZINC000544531920 940473344 /nfs/dbraw/zinc/47/33/44/940473344.db2.gz RDSOLLSVIANIPH-KKSFZXQISA-N 1 0 406.530 4.185 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H](C)[C@H]2COc3ccccc32)c1C#N ZINC000544531919 940473469 /nfs/dbraw/zinc/47/34/69/940473469.db2.gz RDSOLLSVIANIPH-IIBYNOLFSA-N 1 0 406.530 4.185 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000547283766 941051798 /nfs/dbraw/zinc/05/17/98/941051798.db2.gz OBZHQKXBZSSANM-UHFFFAOYSA-N 1 0 404.514 4.219 20 30 HIEDRO N#Cc1ccc(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)cc1Cl ZINC000547951929 941080269 /nfs/dbraw/zinc/08/02/69/941080269.db2.gz BJKONCUDEXFFIO-UHFFFAOYSA-N 1 0 410.905 4.278 20 30 HIEDRO C=CCCOCCNC(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000548978881 941138191 /nfs/dbraw/zinc/13/81/91/941138191.db2.gz HEOAIAPBYZMCGH-VCYXJBJXSA-N 1 0 405.970 4.146 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000549173332 941168324 /nfs/dbraw/zinc/16/83/24/941168324.db2.gz JWODTUWIHUUECR-CABCVRRESA-N 1 0 400.320 4.018 20 30 HIEDRO C[NH+](C)C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Cl)cc1 ZINC000549230905 941172568 /nfs/dbraw/zinc/17/25/68/941172568.db2.gz UBUZKBBCBYGKDZ-NRFANRHFSA-N 1 0 420.900 4.432 20 30 HIEDRO C=CCSCCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000549234296 941172756 /nfs/dbraw/zinc/17/27/56/941172756.db2.gz QBJGWVKXSCUAQB-QZNYNHHHSA-N 1 0 408.011 4.472 20 30 HIEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000549249607 941173986 /nfs/dbraw/zinc/17/39/86/941173986.db2.gz GHHNZPNMBPBVHU-FYYLOGMGSA-N 1 0 416.573 4.340 20 30 HIEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000549248862 941174033 /nfs/dbraw/zinc/17/40/33/941174033.db2.gz ZJVDKCFVFGZDBC-LJQANCHMSA-N 1 0 419.577 4.079 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000549287187 941177039 /nfs/dbraw/zinc/17/70/39/941177039.db2.gz HNOPBGVIQNUDHE-OFNKIYASSA-N 1 0 421.589 4.195 20 30 HIEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000549331776 941180736 /nfs/dbraw/zinc/18/07/36/941180736.db2.gz PCJBNHXUFPAEPV-UHFFFAOYSA-N 1 0 411.594 4.128 20 30 HIEDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000549528036 941198151 /nfs/dbraw/zinc/19/81/51/941198151.db2.gz PQYRQGFJSQLSTO-UQOODKLHSA-N 1 0 413.587 4.153 20 30 HIEDRO COc1ccc(C[NH2+]C2(Cc3cccc(F)c3)CCOCC2)cc1OCCCC#N ZINC000549889398 941228878 /nfs/dbraw/zinc/22/88/78/941228878.db2.gz JWWLZPVQSMXOOZ-UHFFFAOYSA-N 1 0 412.505 4.398 20 30 HIEDRO N#Cc1ccc(C[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)c(C(F)(F)F)c1 ZINC000549936495 941243032 /nfs/dbraw/zinc/24/30/32/941243032.db2.gz DAYCLTICYKMAOK-UHFFFAOYSA-N 1 0 416.852 4.184 20 30 HIEDRO COc1cc(C[N@@H+]2CCC[C@](CO)(C(C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC000550063166 941277279 /nfs/dbraw/zinc/27/72/79/941277279.db2.gz IAEKQQYKISEUCP-VWLOTQADSA-N 1 0 408.542 4.376 20 30 HIEDRO COc1ccc([C@@H](CCC#N)[NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000550939892 941383692 /nfs/dbraw/zinc/38/36/92/941383692.db2.gz VFKKMWICCJVNBX-HXUWFJFHSA-N 1 0 406.935 4.147 20 30 HIEDRO CC[NH+](CC)CCOc1ccccc1-c1noc(-c2cc(C#N)cc(N(C)C)c2)n1 ZINC000550962963 941387487 /nfs/dbraw/zinc/38/74/87/941387487.db2.gz LRFKOTULIPPZTI-UHFFFAOYSA-N 1 0 405.502 4.062 20 30 HIEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)[C@H](C(F)(F)F)C1 ZINC000551275746 941441660 /nfs/dbraw/zinc/44/16/60/941441660.db2.gz ZQPLUNUBFLOHEG-WJFTUGDTSA-N 1 0 407.480 4.194 20 30 HIEDRO N#Cc1cccc(C2([NH2+]CC(=O)N[C@H](c3cccs3)c3ccc(F)cc3)CC2)c1 ZINC000551714278 941531294 /nfs/dbraw/zinc/53/12/94/941531294.db2.gz WJGLQHHLCJRIBW-QFIPXVFZSA-N 1 0 405.498 4.243 20 30 HIEDRO C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)Oc1ccc(Br)cc1 ZINC000552045462 941573104 /nfs/dbraw/zinc/57/31/04/941573104.db2.gz HNGHCAPCNTVOJU-MRXNPFEDSA-N 1 0 414.347 4.347 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)CC2)cc1 ZINC000552056774 941575689 /nfs/dbraw/zinc/57/56/89/941575689.db2.gz RORGTXCBZDWZMU-DQEYMECFSA-N 1 0 407.533 4.030 20 30 HIEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@H](OC1CCOCC1)c1ccccc1 ZINC000552276404 941620388 /nfs/dbraw/zinc/62/03/88/941620388.db2.gz WLUXFJPYCOUGHV-FNZWTVRRSA-N 1 0 419.569 4.442 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)CC1 ZINC000552338426 941638070 /nfs/dbraw/zinc/63/80/70/941638070.db2.gz FFKAPGDUTXMEII-UHFFFAOYSA-N 1 0 410.949 4.266 20 30 HIEDRO Cc1cc(NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000552495442 941688474 /nfs/dbraw/zinc/68/84/74/941688474.db2.gz BWDHGFWHHPFHCZ-UHFFFAOYSA-N 1 0 422.548 4.453 20 30 HIEDRO N#Cc1cc(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cnc1C(F)(F)F ZINC000552507723 941691372 /nfs/dbraw/zinc/69/13/72/941691372.db2.gz GYNHROGYXOYEPY-KRWDZBQOSA-N 1 0 416.447 4.004 20 30 HIEDRO N#Cc1cccc(CC(=O)N(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000552851235 941787582 /nfs/dbraw/zinc/78/75/82/941787582.db2.gz PMJMHGUFWRXOTJ-SANMLTNESA-N 1 0 424.548 4.189 20 30 HIEDRO N#Cc1cc(Cl)cc(Br)c1NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000553162522 941842861 /nfs/dbraw/zinc/84/28/61/941842861.db2.gz ZZWSNRIUPRIDPJ-KRWDZBQOSA-N 1 0 420.738 4.153 20 30 HIEDRO CN(C)C(=O)C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1ccccc1 ZINC000553639387 941930152 /nfs/dbraw/zinc/93/01/52/941930152.db2.gz BYGXUGQDAHPNTG-RUZDIDTESA-N 1 0 413.521 4.446 20 30 HIEDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H](C)C1 ZINC000553767860 941963223 /nfs/dbraw/zinc/96/32/23/941963223.db2.gz LLUZFIVUHWCBOF-GLDPYIMESA-N 1 0 403.526 4.347 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000553943001 942004333 /nfs/dbraw/zinc/00/43/33/942004333.db2.gz ILFAVHLDVGOOBL-QAPCUYQASA-N 1 0 417.962 4.244 20 30 HIEDRO C[NH+](C)C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(F)cc1 ZINC000554072941 942029405 /nfs/dbraw/zinc/02/94/05/942029405.db2.gz GYVNXFGGUAIAPL-HXUWFJFHSA-N 1 0 423.517 4.169 20 30 HIEDRO Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+](C)CCOCc1ccc(C#N)cc1 ZINC000554887239 942309173 /nfs/dbraw/zinc/30/91/73/942309173.db2.gz OKIZQNUEWMZGRM-UHFFFAOYSA-N 1 0 402.542 4.377 20 30 HIEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000555238328 942441645 /nfs/dbraw/zinc/44/16/45/942441645.db2.gz MRLPGJCPKCMZAD-NRFANRHFSA-N 1 0 409.578 4.054 20 30 HIEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000555254617 942448950 /nfs/dbraw/zinc/44/89/50/942448950.db2.gz RHWZEALZGRFKBF-NRFANRHFSA-N 1 0 423.605 4.478 20 30 HIEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000555254619 942449115 /nfs/dbraw/zinc/44/91/15/942449115.db2.gz RHWZEALZGRFKBF-OAQYLSRUSA-N 1 0 423.605 4.478 20 30 HIEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000555290342 942464303 /nfs/dbraw/zinc/46/43/03/942464303.db2.gz BHZGRBGHDVQYKA-UHFFFAOYSA-N 1 0 402.546 4.017 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000555626021 942677304 /nfs/dbraw/zinc/67/73/04/942677304.db2.gz NEPFJCKTESYVOK-DLBZAZTESA-N 1 0 423.467 4.136 20 30 HIEDRO C[C@H]([NH2+]C1(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCCC1)c1ccccc1 ZINC000556138767 942809941 /nfs/dbraw/zinc/80/99/41/942809941.db2.gz DCXWXZZZQZOYJG-HNNXBMFYSA-N 1 0 416.447 4.365 20 30 HIEDRO N#Cc1ccc2ncc(C[NH2+][C@H](Cn3cnc4ccccc43)c3ccc(F)cc3)n2c1 ZINC000556594804 942909532 /nfs/dbraw/zinc/90/95/32/942909532.db2.gz JXVACLCUADOSPY-JOCHJYFZSA-N 1 0 410.456 4.226 20 30 HIEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000556889834 942953420 /nfs/dbraw/zinc/95/34/20/942953420.db2.gz GZMCZVNYDSZFGF-FQEVSTJZSA-N 1 0 407.533 4.346 20 30 HIEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000556895192 942955510 /nfs/dbraw/zinc/95/55/10/942955510.db2.gz LAOCHIZTQMMIHA-UHFFFAOYSA-N 1 0 406.599 4.496 20 30 HIEDRO C[C@@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[N@@H+]1CCCC[C@H]1C ZINC000557430289 943121808 /nfs/dbraw/zinc/12/18/08/943121808.db2.gz WVWVEDPVRHBPFX-MSOLQXFVSA-N 1 0 416.997 4.197 20 30 HIEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000557568943 943213422 /nfs/dbraw/zinc/21/34/22/943213422.db2.gz BYRGTNZZRRISFG-QGZVFWFLSA-N 1 0 408.498 4.489 20 30 HIEDRO C=CCC[C@H](NC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccccc1 ZINC000557798684 943295087 /nfs/dbraw/zinc/29/50/87/943295087.db2.gz VRLUFDZIYBLWBL-RDPSFJRHSA-N 1 0 419.569 4.152 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC4(CCC4)[C@@H]3[C@H]3CCCO3)sc2C1 ZINC000558476057 943568972 /nfs/dbraw/zinc/56/89/72/943568972.db2.gz JHGPETGRMIYNJU-FPDPHYFHSA-N 1 0 413.587 4.107 20 30 HIEDRO CCOC(=O)c1c(-c2ccco2)csc1NC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000558740559 943636634 /nfs/dbraw/zinc/63/66/34/943636634.db2.gz AOYBWLDSROKRAT-CQSZACIVSA-N 1 0 423.494 4.346 20 30 HIEDRO CCN1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000558902097 943736554 /nfs/dbraw/zinc/73/65/54/943736554.db2.gz MGEALVDNMSQOIY-SZFUDVHCSA-N 1 0 414.912 4.103 20 30 HIEDRO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000558981816 943783534 /nfs/dbraw/zinc/78/35/34/943783534.db2.gz NLPUKIQQYVBONX-SFHVURJKSA-N 1 0 401.986 4.267 20 30 HIEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000559004245 943800043 /nfs/dbraw/zinc/80/00/43/943800043.db2.gz LSLCLWQUOFMRHD-NRFANRHFSA-N 1 0 411.594 4.181 20 30 HIEDRO N#Cc1cccc(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)c1F ZINC000559266866 943887996 /nfs/dbraw/zinc/88/79/96/943887996.db2.gz HJMGYBVPXOPLHY-UHFFFAOYSA-N 1 0 421.285 4.480 20 30 HIEDRO COC1CC[NH+](C2(CNC(=O)c3sc4ccc(C#N)cc4c3C)CCCC2)CC1 ZINC000559644460 944023575 /nfs/dbraw/zinc/02/35/75/944023575.db2.gz UARJNINTJFACMQ-UHFFFAOYSA-N 1 0 411.571 4.235 20 30 HIEDRO C[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000560335011 944227353 /nfs/dbraw/zinc/22/73/53/944227353.db2.gz DSASABMXQUQOIU-INIZCTEOSA-N 1 0 401.445 4.170 20 30 HIEDRO N#Cc1ncn(CC[NH2+][C@H](Cc2cccc(F)c2)c2ccc(Cl)c(Cl)c2)n1 ZINC000560581532 944263494 /nfs/dbraw/zinc/26/34/94/944263494.db2.gz VBJWEOJXYBSNPE-GOSISDBHSA-N 1 0 404.276 4.169 20 30 HIEDRO C=CCCO[C@H](C)C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000561074129 944428623 /nfs/dbraw/zinc/42/86/23/944428623.db2.gz GOWCGFQOLWEFDN-ZJSXRUAMSA-N 1 0 407.558 4.056 20 30 HIEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000564380967 945545232 /nfs/dbraw/zinc/54/52/32/945545232.db2.gz RZJUNMPJLBPRKZ-UHFFFAOYSA-N 1 0 404.562 4.298 20 30 HIEDRO CC(C)Oc1ccc([C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)N(C)C)cc1 ZINC000564436738 945584870 /nfs/dbraw/zinc/58/48/70/945584870.db2.gz ZAIFTVWRZCDGBN-VWLOTQADSA-N 1 0 406.574 4.207 20 30 HIEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000565144172 945788217 /nfs/dbraw/zinc/78/82/17/945788217.db2.gz YTLNNJOKMHBHIZ-UHFFFAOYSA-N 1 0 406.534 4.143 20 30 HIEDRO C=C(C)Cn1c(CC)nnc1N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000565749349 945880239 /nfs/dbraw/zinc/88/02/39/945880239.db2.gz RLJBZKYIRBCVAV-UHFFFAOYSA-N 1 0 407.484 4.148 20 30 HIEDRO COc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000565911219 945916589 /nfs/dbraw/zinc/91/65/89/945916589.db2.gz FJGVDXVTHBFBMI-UHFFFAOYSA-N 1 0 420.435 4.181 20 30 HIEDRO CCN(c1nnc(-c2cccc(C#N)c2)n1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000565979797 945958119 /nfs/dbraw/zinc/95/81/19/945958119.db2.gz MPWHRGZFGLJENZ-PGRDOPGGSA-N 1 0 400.530 4.016 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccc(OC3CCCCC3)nc2)c(-c2ccncc2)n1 ZINC000567669990 946397586 /nfs/dbraw/zinc/39/75/86/946397586.db2.gz KDBCHGLLAATTLB-UHFFFAOYSA-N 1 0 416.529 4.255 20 30 HIEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000567796103 946412888 /nfs/dbraw/zinc/41/28/88/946412888.db2.gz ZIVSTMVSJXRGHT-UHFFFAOYSA-N 1 0 409.578 4.115 20 30 HIEDRO N#CCCN(C(=O)C[NH2+][C@@H]1c2ccccc2CC12CCOCC2)c1cccc(Cl)c1 ZINC000567969649 946433981 /nfs/dbraw/zinc/43/39/81/946433981.db2.gz MCBYERRDNLHMGO-HSZRJFAPSA-N 1 0 423.944 4.270 20 30 HIEDRO C[NH+](C)CC1CCC(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000568665639 946642820 /nfs/dbraw/zinc/64/28/20/946642820.db2.gz GVQJIYNDZBCAKQ-UHFFFAOYSA-N 1 0 416.997 4.055 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000568903279 946740967 /nfs/dbraw/zinc/74/09/67/946740967.db2.gz JNHCKBMESGLKJV-NRFANRHFSA-N 1 0 409.578 4.054 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)C(C)(C)c2csc(-c3cc(F)ccc3F)n2)CC1 ZINC000570489928 947265895 /nfs/dbraw/zinc/26/58/95/947265895.db2.gz NXRQIVVQCODUGN-UHFFFAOYSA-N 1 0 405.514 4.133 20 30 HIEDRO CC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc(OC)cc1OC ZINC000570834820 947366358 /nfs/dbraw/zinc/36/63/58/947366358.db2.gz DOPDGGGGHPNTOL-UHFFFAOYSA-N 1 0 401.894 4.080 20 30 HIEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000570881191 947381014 /nfs/dbraw/zinc/38/10/14/947381014.db2.gz WZUVMYNPODFGRN-UHFFFAOYSA-N 1 0 411.546 4.471 20 30 HIEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000571008183 947429522 /nfs/dbraw/zinc/42/95/22/947429522.db2.gz PVDBZIQKWRAUNE-UHFFFAOYSA-N 1 0 402.546 4.134 20 30 HIEDRO C[C@@H](C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000572646769 947966196 /nfs/dbraw/zinc/96/61/96/947966196.db2.gz KABZIVCAKDJMJD-YWZLYKJASA-N 1 0 401.432 4.071 20 30 HIEDRO Cc1ccc([C@H](C)[NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1[N+](=O)[O-] ZINC000573396049 948181121 /nfs/dbraw/zinc/18/11/21/948181121.db2.gz ZQAJWWZEENGGBU-AWEZNQCLSA-N 1 0 412.515 4.395 20 30 HIEDRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)C2)n1 ZINC000573531814 948234192 /nfs/dbraw/zinc/23/41/92/948234192.db2.gz DFRFGWQJNJBQPC-KRWDZBQOSA-N 1 0 402.420 4.131 20 30 HIEDRO N#CCCN(C(=O)C[NH2+][C@H](COc1ccccc1F)c1ccccc1)c1ccccc1 ZINC000573825290 948302900 /nfs/dbraw/zinc/30/29/00/948302900.db2.gz LXPHQICYOWRDSO-HSZRJFAPSA-N 1 0 417.484 4.482 20 30 HIEDRO C=CCNC(=O)c1cccc(-c2noc(-c3ccc(C[N@@H+](CC)C4CC4)cc3)n2)c1 ZINC000574611733 948491921 /nfs/dbraw/zinc/49/19/21/948491921.db2.gz DRRUEZZZEAZTKZ-UHFFFAOYSA-N 1 0 402.498 4.304 20 30 HIEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCCCC34CC[NH2+]CC4)c(Cl)nn2)c1 ZINC001164421127 718913053 /nfs/dbraw/zinc/91/30/53/718913053.db2.gz PJUNAHNIEBHWHU-UHFFFAOYSA-N 1 0 417.891 4.326 20 30 HIEDRO N#Cc1cc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc(Cl)n1 ZINC001164629778 719075497 /nfs/dbraw/zinc/07/54/97/719075497.db2.gz YZQKCHIDSALNDA-LPHOPBHVSA-N 1 0 402.876 4.252 20 30 HIEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccc(C)cc3c(Cl)c1C#N)C2 ZINC001164810229 720207405 /nfs/dbraw/zinc/20/74/05/720207405.db2.gz AOYPYYWJFDZBTD-KOSHJBKYSA-N 1 0 424.976 4.253 20 30 HIEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccc3ccc(C#N)cc31)CC2 ZINC001164840478 720684040 /nfs/dbraw/zinc/68/40/40/720684040.db2.gz FEPNBWPWEWOCFW-QHCPKHFHSA-N 1 0 412.537 4.366 20 30 HIEDRO Cc1nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)cc1C#N ZINC001164913818 721737218 /nfs/dbraw/zinc/73/72/18/721737218.db2.gz YDUOLRVFFCTLGF-FQEVSTJZSA-N 1 0 417.891 4.048 20 30 HIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C4(C#N)CCC4)cn3)C[C@@H]21 ZINC001165019850 721811899 /nfs/dbraw/zinc/81/18/99/721811899.db2.gz BZYCYBUDEKVGRJ-AJSBUHFISA-N 1 0 401.558 4.159 20 30 HIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)c(Cl)cc3C#N)C[C@@H]21 ZINC001165022746 721812433 /nfs/dbraw/zinc/81/24/33/721812433.db2.gz HBPODZFIINVTID-DKSSEZFCSA-N 1 0 416.356 4.392 20 30 HIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4ccncc4)ccc3C#N)C[C@H]21 ZINC001165028175 721822682 /nfs/dbraw/zinc/82/26/82/721822682.db2.gz UVNMFYWHZYUFJH-GZGNHOFSSA-N 1 0 424.552 4.147 20 30 HIEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955664 722019982 /nfs/dbraw/zinc/01/99/82/722019982.db2.gz MLNOSNPWXQEKQL-UHFFFAOYSA-N 1 0 417.891 4.039 20 30 HIEDRO N#Cc1ccc(-c2ccncc2)nc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994070 722207308 /nfs/dbraw/zinc/20/73/08/722207308.db2.gz FHKFHKWYTLJJKU-VWLOTQADSA-N 1 0 413.500 4.399 20 30 HIEDRO C[C@H](Oc1cccc2ccccc21)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000436036419 861328773 /nfs/dbraw/zinc/32/87/73/861328773.db2.gz XKDCDKNMMWBXHL-FQEVSTJZSA-N 1 0 413.521 4.282 20 30 HIEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000436155802 861455892 /nfs/dbraw/zinc/45/58/92/861455892.db2.gz STJSNKUWBVTSJY-JTHBVZDNSA-N 1 0 417.557 4.132 20 30 HIEDRO Cc1cccc(N2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)c1C ZINC000007486289 845343522 /nfs/dbraw/zinc/34/35/22/845343522.db2.gz UHNZLMQTUVBOPY-UHFFFAOYSA-N 1 0 422.598 4.266 20 30 HIEDRO N#Cc1cccc(NC(=O)CC[N@@H+]2CCCC[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000436255039 861566306 /nfs/dbraw/zinc/56/63/06/861566306.db2.gz TYFYQHACTIWATB-FQEVSTJZSA-N 1 0 401.470 4.164 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000436303529 861607344 /nfs/dbraw/zinc/60/73/44/861607344.db2.gz CTQPWEAUHFMIQQ-YHYVQYDKSA-N 1 0 421.509 4.029 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000436332667 861637845 /nfs/dbraw/zinc/63/78/45/861637845.db2.gz PLLQEKCDZCJDJX-QTJGBDASSA-N 1 0 405.517 4.336 20 30 HIEDRO COc1ccc(CNC(=S)C(C(=O)c2cc(C)sc2C)[n+]2ccccc2)cc1 ZINC000022693083 846604997 /nfs/dbraw/zinc/60/49/97/846604997.db2.gz YEMRKVBBPIIQAD-UHFFFAOYSA-O 1 0 411.572 4.390 20 30 HIEDRO CCc1ccc(C(=O)C(C(=S)NCCc2ccc(OC)cc2)[n+]2ccccc2)cc1 ZINC000022803191 846622903 /nfs/dbraw/zinc/62/29/03/846622903.db2.gz WXFASOSDSQGVKY-UHFFFAOYSA-O 1 0 419.570 4.316 20 30 HIEDRO CCCNC(=S)C(C(=O)c1ccc(Cl)cc1Cl)[n+]1ccc(N(C)C)cc1 ZINC000022803357 846622960 /nfs/dbraw/zinc/62/29/60/846622960.db2.gz AGXJYMWIRCACQH-UHFFFAOYSA-O 1 0 411.378 4.285 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(F)cc3Br)CC2)cc1 ZINC000022850945 846628454 /nfs/dbraw/zinc/62/84/54/846628454.db2.gz GVGQGBKZVLJQTR-UHFFFAOYSA-N 1 0 402.311 4.168 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H](c2ccco2)N(C)C)cc1OC ZINC000025355243 846966270 /nfs/dbraw/zinc/96/62/70/846966270.db2.gz QDTKIQUAVWVWEH-INIZCTEOSA-N 1 0 409.324 4.008 20 30 HIEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000027208170 847266425 /nfs/dbraw/zinc/26/64/25/847266425.db2.gz WAGQHQYDRKFRJD-XMMPIXPASA-N 1 0 422.475 4.435 20 30 HIEDRO CCOc1ccc([C@@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000030537111 847731846 /nfs/dbraw/zinc/73/18/46/847731846.db2.gz GYIHVPJFGGOEFW-DHLKQENFSA-N 1 0 402.494 4.076 20 30 HIEDRO COCC[N@H+](C)CCCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000046983245 848967585 /nfs/dbraw/zinc/96/75/85/848967585.db2.gz IVUREKBNQBMGGX-FQEVSTJZSA-N 1 0 414.937 4.085 20 30 HIEDRO COc1ccc2[nH]cc(C3=CC[N@H+](CCC(=O)Nc4sccc4C#N)CC3)c2c1 ZINC000047257281 849016200 /nfs/dbraw/zinc/01/62/00/849016200.db2.gz XVQQEYLDWCRBIW-UHFFFAOYSA-N 1 0 406.511 4.228 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000048161696 849183055 /nfs/dbraw/zinc/18/30/55/849183055.db2.gz UOVLLVHRYZQFQZ-UHFFFAOYSA-N 1 0 404.514 4.080 20 30 HIEDRO Cc1ccc(-c2nnc([C@H](C)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)o2)cc1 ZINC000054643155 849898062 /nfs/dbraw/zinc/89/80/62/849898062.db2.gz UDFWZWDUHQSBNA-IBGZPJMESA-N 1 0 401.514 4.186 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000056153282 850258244 /nfs/dbraw/zinc/25/82/44/850258244.db2.gz FUPKRYGVTAXOBM-OALUTQOASA-N 1 0 418.541 4.321 20 30 HIEDRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000058397007 850815507 /nfs/dbraw/zinc/81/55/07/850815507.db2.gz WJIMXJRARXPBJS-QHCPKHFHSA-N 1 0 421.541 4.150 20 30 HIEDRO Cc1ccc([C@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)[NH+](C)C)cc1 ZINC000060155593 851045293 /nfs/dbraw/zinc/04/52/93/851045293.db2.gz FVCKGNMAYHTPJD-VWLOTQADSA-N 1 0 413.521 4.478 20 30 HIEDRO C=CCOc1ccc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1OC ZINC000060355377 851075862 /nfs/dbraw/zinc/07/58/62/851075862.db2.gz YHHXRBBBDTXUHS-UHFFFAOYSA-N 1 0 408.542 4.041 20 30 HIEDRO COc1cc(C#N)ccc1OCCCC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000060501780 851123203 /nfs/dbraw/zinc/12/32/03/851123203.db2.gz DLSAFJNKODTCOI-UHFFFAOYSA-N 1 0 413.562 4.031 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)ccc1OC ZINC000060948992 851255169 /nfs/dbraw/zinc/25/51/69/851255169.db2.gz BHNPDLCWWPRCAP-UHFFFAOYSA-N 1 0 410.558 4.149 20 30 HIEDRO COc1ccc(CC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cc1OC ZINC000060958182 851259073 /nfs/dbraw/zinc/25/90/73/851259073.db2.gz LKKCNPIHMATBNP-UHFFFAOYSA-N 1 0 402.494 4.487 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000061187560 851312420 /nfs/dbraw/zinc/31/24/20/851312420.db2.gz OAPQPYWOTGJRMG-UHFFFAOYSA-N 1 0 407.558 4.054 20 30 HIEDRO N#Cc1ccc(CSc2ccccc2C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000061210260 851318999 /nfs/dbraw/zinc/31/89/99/851318999.db2.gz TWZXWWZHKZXKGM-UHFFFAOYSA-N 1 0 414.534 4.208 20 30 HIEDRO C[C@H]([NH2+]CC1(c2ccc3c(c2)OCO3)CCCCC1)C(=O)Nc1ccccc1C#N ZINC000062242768 851514790 /nfs/dbraw/zinc/51/47/90/851514790.db2.gz BEMAINAJFCISGR-KRWDZBQOSA-N 1 0 405.498 4.106 20 30 HIEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000062474337 851558898 /nfs/dbraw/zinc/55/88/98/851558898.db2.gz LCSWHRKVIFTJFH-DEOSSOPVSA-N 1 0 407.558 4.272 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000063403308 851680434 /nfs/dbraw/zinc/68/04/34/851680434.db2.gz IZBFSJBBZWVNLM-RXVVDRJESA-N 1 0 408.502 4.128 20 30 HIEDRO CCCc1cc[n+](C(C(=O)c2[nH]c(C)c(C(C)=O)c2CC)C(=S)NC2CC2)cc1 ZINC000063440189 851689887 /nfs/dbraw/zinc/68/98/87/851689887.db2.gz JVOYHPALQVKQDJ-UHFFFAOYSA-O 1 0 412.579 4.019 20 30 HIEDRO Cc1nc(SCC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c(C#N)c(C)c1C ZINC000064310793 851868570 /nfs/dbraw/zinc/86/85/70/851868570.db2.gz QHUJACQASMMWAL-UHFFFAOYSA-N 1 0 414.619 4.085 20 30 HIEDRO COc1ccc([C@H](CNC(=O)Nc2cc(C#N)ccc2OC(C)C)[NH+]2CCCC2)cc1 ZINC000065473442 852148654 /nfs/dbraw/zinc/14/86/54/852148654.db2.gz ZCSMNNRDDFKOEL-QFIPXVFZSA-N 1 0 422.529 4.313 20 30 HIEDRO Cc1cc(C)c(C(=O)CCCC(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c(C)c1 ZINC000065930379 852320191 /nfs/dbraw/zinc/32/01/91/852320191.db2.gz IOKRSYXLLJDLRS-UHFFFAOYSA-N 1 0 419.569 4.427 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000065930775 852320671 /nfs/dbraw/zinc/32/06/71/852320671.db2.gz JYKLLUCNDXBKGO-UXHICEINSA-N 1 0 415.459 4.271 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCOc1cccc(Cl)c1Cl ZINC000065930395 852321184 /nfs/dbraw/zinc/32/11/84/852321184.db2.gz HUAJHSCRNYIHBN-UHFFFAOYSA-N 1 0 420.340 4.224 20 30 HIEDRO N#CC1(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)CCCCC1 ZINC000072030190 852473395 /nfs/dbraw/zinc/47/33/95/852473395.db2.gz TXIYTQXSHHADMV-UHFFFAOYSA-N 1 0 416.569 4.417 20 30 HIEDRO COc1cccc([C@H](CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)[NH+](C)C)c1 ZINC000078714811 852525820 /nfs/dbraw/zinc/52/58/20/852525820.db2.gz WLBOQJQQTLOEJC-JXFKEZNVSA-N 1 0 412.559 4.371 20 30 HIEDRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000079040861 852538386 /nfs/dbraw/zinc/53/83/86/852538386.db2.gz ZZRHDIPTBAUCAX-HNNXBMFYSA-N 1 0 420.340 4.223 20 30 HIEDRO N#Cc1ccccc1-c1ccccc1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000106175076 852759785 /nfs/dbraw/zinc/75/97/85/852759785.db2.gz OHKABYHXFIAVNI-UHFFFAOYSA-N 1 0 405.567 4.317 20 30 HIEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cc(Br)cs1 ZINC000108146227 852826181 /nfs/dbraw/zinc/82/61/81/852826181.db2.gz SZRXSVNEFFQINJ-UHFFFAOYSA-N 1 0 412.740 4.496 20 30 HIEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000108467214 852853708 /nfs/dbraw/zinc/85/37/08/852853708.db2.gz NQLHCQMXQWSVAQ-XMMPIXPASA-N 1 0 405.542 4.264 20 30 HIEDRO C=CCOc1ccc(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCCC2)cc1OC ZINC000108555430 852859876 /nfs/dbraw/zinc/85/98/76/852859876.db2.gz HQVKQXVNNMLAGD-OAQYLSRUSA-N 1 0 424.541 4.226 20 30 HIEDRO C#CC[NH+]1CCC(C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)CC1 ZINC000108709657 852874595 /nfs/dbraw/zinc/87/45/95/852874595.db2.gz GQUORZZPKZZQJV-UHFFFAOYSA-N 1 0 408.354 4.324 20 30 HIEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)CC1 ZINC000109477487 852974688 /nfs/dbraw/zinc/97/46/88/852974688.db2.gz QSJGTKQVXCVQKY-UHFFFAOYSA-N 1 0 408.571 4.281 20 30 HIEDRO N#Cc1c(C[N@H+]2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cn2ccccc12 ZINC000110988076 853180964 /nfs/dbraw/zinc/18/09/64/853180964.db2.gz CFZQLLLWRKGIHU-QGZVFWFLSA-N 1 0 401.445 4.380 20 30 HIEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)c1O ZINC000112565982 853231855 /nfs/dbraw/zinc/23/18/55/853231855.db2.gz BEBXAPHMOPCKMW-UHFFFAOYSA-N 1 0 404.551 4.351 20 30 HIEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000139172708 853404058 /nfs/dbraw/zinc/40/40/58/853404058.db2.gz JFQJUFLIXHOOIH-INIZCTEOSA-N 1 0 418.463 4.411 20 30 HIEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000145676798 853555163 /nfs/dbraw/zinc/55/51/63/853555163.db2.gz GRQZRPQGSAOINU-JOCHJYFZSA-N 1 0 411.571 4.052 20 30 HIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000150145872 853637772 /nfs/dbraw/zinc/63/77/72/853637772.db2.gz ZTCRMGJPCHJYTN-UHFFFAOYSA-N 1 0 404.558 4.392 20 30 HIEDRO Cc1cc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)N[C@@H](C)c2ccccc2)cc1 ZINC000185580587 853667888 /nfs/dbraw/zinc/66/78/88/853667888.db2.gz QBOGUMROTGRDHA-SFHVURJKSA-O 1 0 400.527 4.444 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)N[C@@H]2CCCC[C@H]2C)cc1 ZINC000186963242 853668939 /nfs/dbraw/zinc/66/89/39/853668939.db2.gz SONXDKTUJIJEGN-RDTXWAMCSA-O 1 0 400.568 4.248 20 30 HIEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000195603145 853707534 /nfs/dbraw/zinc/70/75/34/853707534.db2.gz KEHQOUSDMFCMHM-UHFFFAOYSA-N 1 0 415.459 4.152 20 30 HIEDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cc1F ZINC000217778517 853862349 /nfs/dbraw/zinc/86/23/49/853862349.db2.gz HVBSGPLHTIJDLO-INIZCTEOSA-N 1 0 420.488 4.403 20 30 HIEDRO CC[NH+]1CCN(c2ccc(NCc3ccc(OC)c(OCCCC#N)c3)c(C)c2)CC1 ZINC000237012350 853951615 /nfs/dbraw/zinc/95/16/15/853951615.db2.gz FGHZBPXJAFEHHB-UHFFFAOYSA-N 1 0 422.573 4.440 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]CCOc2ccc(C#N)cc2)cc1OC ZINC000237181315 853977543 /nfs/dbraw/zinc/97/75/43/853977543.db2.gz GQGDSPDYBXAZGG-UHFFFAOYSA-N 1 0 417.303 4.063 20 30 HIEDRO COc1cc(C[NH2+][C@H](C)c2cccc(C#N)c2)cc(I)c1OC ZINC000237224334 853986296 /nfs/dbraw/zinc/98/62/96/853986296.db2.gz BILCBAOBJCYOEZ-GFCCVEGCSA-N 1 0 422.266 4.031 20 30 HIEDRO C=CCc1cc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc(OC)c1O ZINC000237310798 854003812 /nfs/dbraw/zinc/00/38/12/854003812.db2.gz IHNUMEAARSRSTA-SFHVURJKSA-N 1 0 423.557 4.236 20 30 HIEDRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(Cl)c1OC ZINC000237368218 854015790 /nfs/dbraw/zinc/01/57/90/854015790.db2.gz CNLBRRJTAKXQMH-INIZCTEOSA-N 1 0 403.885 4.127 20 30 HIEDRO C[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)Sc1ccc(Br)cc1 ZINC000237394295 854021690 /nfs/dbraw/zinc/02/16/90/854021690.db2.gz LXLYXNOXBRLMKL-ZDUSSCGKSA-N 1 0 401.333 4.239 20 30 HIEDRO C=CCOc1ccc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)cc1OC ZINC000237429535 854031540 /nfs/dbraw/zinc/03/15/40/854031540.db2.gz YWDKGTQCCABEMX-OAQYLSRUSA-N 1 0 416.949 4.077 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1Cl ZINC000237476893 854041940 /nfs/dbraw/zinc/04/19/40/854041940.db2.gz BEFSWOXDJRSDPL-HNNXBMFYSA-N 1 0 408.951 4.006 20 30 HIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000237605345 854060581 /nfs/dbraw/zinc/06/05/81/854060581.db2.gz OHHRHGSWQZLRPH-OXQOHEQNSA-N 1 0 403.448 4.360 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCc2ccn(-c3ccc(F)cc3)n2)c(-c2ccccc2)n1 ZINC000237715519 854081897 /nfs/dbraw/zinc/08/18/97/854081897.db2.gz DUKCCVAPTYKIET-UHFFFAOYSA-N 1 0 414.488 4.121 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)c(F)c1 ZINC000237714944 854081954 /nfs/dbraw/zinc/08/19/54/854081954.db2.gz CICRGJLIBMZYHF-UNMCSNQZSA-N 1 0 409.505 4.014 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCNC(=O)c2ccccc2Cl)c1 ZINC000237856884 854109582 /nfs/dbraw/zinc/10/95/82/854109582.db2.gz UMYRSSPVUGFSCO-UHFFFAOYSA-N 1 0 419.912 4.310 20 30 HIEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)c(-c2ccccc2)n1 ZINC000237864996 854110586 /nfs/dbraw/zinc/11/05/86/854110586.db2.gz YLOXPRRACVMIHX-LJQANCHMSA-N 1 0 403.505 4.219 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)c1 ZINC000237970800 854127747 /nfs/dbraw/zinc/12/77/47/854127747.db2.gz ZTGAYCMJQJZNBL-UHFFFAOYSA-N 1 0 400.482 4.306 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCCNC(=O)c3cccs3)c2)c1 ZINC000238057897 854138516 /nfs/dbraw/zinc/13/85/16/854138516.db2.gz KTEWPJJOMOYLQI-UHFFFAOYSA-N 1 0 405.523 4.108 20 30 HIEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000249904732 854192698 /nfs/dbraw/zinc/19/26/98/854192698.db2.gz HBKOHOXFKHVYOW-APWZRJJASA-N 1 0 417.962 4.058 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)cc1 ZINC000301086038 854292476 /nfs/dbraw/zinc/29/24/76/854292476.db2.gz JWWVFPLLBWADJV-UHFFFAOYSA-N 1 0 404.392 4.198 20 30 HIEDRO CCOc1cc2[nH+]ccc(NC3CCN(c4ccc(C#N)cn4)CC3)c2cc1OCC ZINC000301220860 854332204 /nfs/dbraw/zinc/33/22/04/854332204.db2.gz BNIHQGKRSSRRDV-UHFFFAOYSA-N 1 0 417.513 4.380 20 30 HIEDRO CC(=O)c1ccc(C#N)c(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000302026141 854517926 /nfs/dbraw/zinc/51/79/26/854517926.db2.gz KXLQBUTZHXAUGO-UHFFFAOYSA-N 1 0 401.432 4.492 20 30 HIEDRO COc1cccc([C@@H]2[C@@H](Nc3nc(C(F)(F)F)ccc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000302050689 854522828 /nfs/dbraw/zinc/52/28/28/854522828.db2.gz ORCLPGZQDRXADM-PKOBYXMFSA-N 1 0 402.420 4.371 20 30 HIEDRO N#Cc1cnc2ccc(Cl)cc2c1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000302872882 854662750 /nfs/dbraw/zinc/66/27/50/854662750.db2.gz COLVNTMJWIKYGM-FQEVSTJZSA-N 1 0 406.917 4.329 20 30 HIEDRO Cc1ccc(C)n1-c1sccc1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000302900075 854672244 /nfs/dbraw/zinc/67/22/44/854672244.db2.gz QDEKYIVAKHDVDR-UHFFFAOYSA-N 1 0 418.566 4.375 20 30 HIEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000302938905 854688444 /nfs/dbraw/zinc/68/84/44/854688444.db2.gz KLGGQAZIQQFQPR-ROUUACIJSA-N 1 0 409.496 4.114 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)COc2ccc3cc(Br)ccc3c2)CC1 ZINC000303242855 854832877 /nfs/dbraw/zinc/83/28/77/854832877.db2.gz CHYKVWNUJLRONM-UHFFFAOYSA-N 1 0 417.347 4.138 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)CCc2ncc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000303253288 854837064 /nfs/dbraw/zinc/83/70/64/854837064.db2.gz GFGWJQZCZASLQK-UHFFFAOYSA-N 1 0 408.329 4.348 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)NCc2cccnc2Oc2ccccc2OCCC)CC1 ZINC000303266283 854842165 /nfs/dbraw/zinc/84/21/65/854842165.db2.gz DZWFAHUJBUKCIV-UHFFFAOYSA-N 1 0 424.545 4.112 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000303435085 854935603 /nfs/dbraw/zinc/93/56/03/854935603.db2.gz XPLHRRXCXNOGIU-UHFFFAOYSA-N 1 0 406.313 4.078 20 30 HIEDRO N#Cc1ccc(CSCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000303448516 854947203 /nfs/dbraw/zinc/94/72/03/854947203.db2.gz IYRUPIMDPREEFT-NOTZXAQLSA-N 1 0 405.567 4.103 20 30 HIEDRO N#CCc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000303515686 855003681 /nfs/dbraw/zinc/00/36/81/855003681.db2.gz CDMBVQFZSIVJIN-LJQANCHMSA-N 1 0 402.420 4.167 20 30 HIEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000303545215 855031592 /nfs/dbraw/zinc/03/15/92/855031592.db2.gz IRYBTUVKDHKLIE-UHFFFAOYSA-N 1 0 413.521 4.341 20 30 HIEDRO C[C@@H]1C[C@@H](N(C)C(=O)CSCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303738165 855163292 /nfs/dbraw/zinc/16/32/92/855163292.db2.gz HJFBNTITYCSOSB-XXBNENTESA-N 1 0 407.583 4.303 20 30 HIEDRO C[C@H]1C[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000303745554 855168227 /nfs/dbraw/zinc/16/82/27/855168227.db2.gz JVOSOXWYVIGLLQ-UWJYYQICSA-N 1 0 410.949 4.135 20 30 HIEDRO [NH2+]=C(NCc1ccc(C(=O)N2CCCCC2)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303771732 855189003 /nfs/dbraw/zinc/18/90/03/855189003.db2.gz CWPIOTCLPHZUAX-UHFFFAOYSA-N 1 0 420.435 4.138 20 30 HIEDRO C[C@@H](NC(=[NH2+])NCc1ccc(N2CCCC2=O)cc1)c1ccc(Cl)cc1Cl ZINC000303793233 855201125 /nfs/dbraw/zinc/20/11/25/855201125.db2.gz ZDWFXJNDOCQRLG-CYBMUJFWSA-N 1 0 405.329 4.286 20 30 HIEDRO C=CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000303816156 855219114 /nfs/dbraw/zinc/21/91/14/855219114.db2.gz ZYTCGXOWSOVBHE-UGKGYDQZSA-N 1 0 408.542 4.385 20 30 HIEDRO C=CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1OC ZINC000303816152 855219288 /nfs/dbraw/zinc/21/92/88/855219288.db2.gz ZYTCGXOWSOVBHE-SIKLNZKXSA-N 1 0 408.542 4.385 20 30 HIEDRO C#CCOc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000303826322 855226860 /nfs/dbraw/zinc/22/68/60/855226860.db2.gz FVGITORPKZFGED-UHFFFAOYSA-N 1 0 416.443 4.066 20 30 HIEDRO C[NH+](C)Cc1cccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1 ZINC000303850215 855245929 /nfs/dbraw/zinc/24/59/29/855245929.db2.gz KMBMDTNPCGJSAF-UHFFFAOYSA-N 1 0 409.540 4.016 20 30 HIEDRO [NH2+]=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303863273 855257750 /nfs/dbraw/zinc/25/77/50/855257750.db2.gz AEFKSFUYMGWSSU-GFCCVEGCSA-N 1 0 414.378 4.117 20 30 HIEDRO CCc1ccc(NC(=[NH2+])NC[C@@H]2CCN(c3cccc(Br)c3)C2)cc1 ZINC000303878689 855266596 /nfs/dbraw/zinc/26/65/96/855266596.db2.gz JEQAHKOKXLNLAN-INIZCTEOSA-N 1 0 401.352 4.265 20 30 HIEDRO CCc1cccc(NC(=[NH2+])NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000303892812 855273725 /nfs/dbraw/zinc/27/37/25/855273725.db2.gz RMTUZGMJHIGHKH-UHFFFAOYSA-N 1 0 406.452 4.031 20 30 HIEDRO CCCCNC(=O)c1ccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000303896857 855275635 /nfs/dbraw/zinc/27/56/35/855275635.db2.gz UVXYZHIXERFATD-UHFFFAOYSA-N 1 0 408.424 4.042 20 30 HIEDRO C[C@@H]1CN(c2ccc(CNC(=[NH2+])Nc3cccc(Oc4ccccc4)c3)cn2)CCO1 ZINC000304479577 855356262 /nfs/dbraw/zinc/35/62/62/855356262.db2.gz IZNSTNRVMPDSBQ-GOSISDBHSA-N 1 0 417.513 4.026 20 30 HIEDRO COc1ccc(NC(=[NH2+])NC[C@@H](C)Oc2ccccc2Br)cc1Cl ZINC000304672518 855358055 /nfs/dbraw/zinc/35/80/55/855358055.db2.gz CIMJOKKUYKDXKL-LLVKDONJSA-N 1 0 412.715 4.305 20 30 HIEDRO [NH2+]=C(NCC#Cc1cccc(C(F)(F)F)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000304764129 855359084 /nfs/dbraw/zinc/35/90/84/855359084.db2.gz XQMSWRWSYJHVIR-UHFFFAOYSA-N 1 0 401.310 4.382 20 30 HIEDRO [NH2+]=C(NCc1ccc(N2CCOC2=O)cc1)Nc1cccc(Oc2ccccc2)c1 ZINC000305810572 855362160 /nfs/dbraw/zinc/36/21/60/855362160.db2.gz JAIISCKFOVSIKT-UHFFFAOYSA-N 1 0 402.454 4.362 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc3c(c2)nc(C)n3Cc2ccsc2)CC1 ZINC000409538704 855531522 /nfs/dbraw/zinc/53/15/22/855531522.db2.gz YSWMAEKAHNTTSD-UHFFFAOYSA-N 1 0 408.571 4.225 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000409650872 855583082 /nfs/dbraw/zinc/58/30/82/855583082.db2.gz ITDRFTFDKGGWBK-IBGZPJMESA-N 1 0 412.578 4.133 20 30 HIEDRO CSc1ccccc1[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000410177804 855851941 /nfs/dbraw/zinc/85/19/41/855851941.db2.gz IDNOLIXPLHYLDH-GOSISDBHSA-N 1 0 408.571 4.259 20 30 HIEDRO C[C@@H]([NH2+]C1(CNC(=O)Nc2ccc(C#N)cc2Cl)CCOCC1)c1ccccc1 ZINC000426135616 856130886 /nfs/dbraw/zinc/13/08/86/856130886.db2.gz HDCOYQUCVIIUNV-MRXNPFEDSA-N 1 0 412.921 4.233 20 30 HIEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccc(C#N)cc3Cl)cc2)C[C@H](C)O1 ZINC000426165681 856148801 /nfs/dbraw/zinc/14/88/01/856148801.db2.gz JKOPTXUAPNILOX-HOTGVXAUSA-N 1 0 412.921 4.143 20 30 HIEDRO COc1cc(C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC000426194383 856168071 /nfs/dbraw/zinc/16/80/71/856168071.db2.gz AQEKJMAEGSATAJ-NRFANRHFSA-N 1 0 422.525 4.309 20 30 HIEDRO C[C@@H]1C[NH+](CCC2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)C[C@@H](C)O1 ZINC000426394649 856272898 /nfs/dbraw/zinc/27/28/98/856272898.db2.gz KAQAMASZPDYPGF-HZPDHXFCSA-N 1 0 414.500 4.100 20 30 HIEDRO Cc1sc(NC(=O)CN2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(C#N)c1C ZINC000426445692 856295035 /nfs/dbraw/zinc/29/50/35/856295035.db2.gz NPRZWQLHIKMKTG-XMMPIXPASA-N 1 0 422.598 4.163 20 30 HIEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426857227 856515150 /nfs/dbraw/zinc/51/51/50/856515150.db2.gz GPSOYUUAXFOSPW-JOCHJYFZSA-N 1 0 405.889 4.052 20 30 HIEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000429062972 857486613 /nfs/dbraw/zinc/48/66/13/857486613.db2.gz GTWDWZFQBPWLIH-HXUWFJFHSA-N 1 0 424.520 4.472 20 30 HIEDRO C[C@H]1C[NH+](CCC2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)C[C@H](C)O1 ZINC000429255104 857576539 /nfs/dbraw/zinc/57/65/39/857576539.db2.gz OYERJXGLSCWPCK-OALUTQOASA-N 1 0 412.578 4.231 20 30 HIEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000429260660 857579703 /nfs/dbraw/zinc/57/97/03/857579703.db2.gz NFYXNAMVQBIVPA-JOCHJYFZSA-N 1 0 405.546 4.401 20 30 HIEDRO N#CCCn1ncc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)c1-c1ccccc1 ZINC000429726108 857852320 /nfs/dbraw/zinc/85/23/20/857852320.db2.gz QHIAUXKFLCQDMU-FQEVSTJZSA-N 1 0 419.554 4.092 20 30 HIEDRO COc1cc(C[NH2+]CC2(CC#N)CC2)ccc1OCC(=O)Nc1ccccc1Cl ZINC000430039507 858006973 /nfs/dbraw/zinc/00/69/73/858006973.db2.gz YZAVSOQTDXHANM-UHFFFAOYSA-N 1 0 413.905 4.150 20 30 HIEDRO N#Cc1ccc(O[C@H]2CC[N@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)nc1 ZINC000430182685 858070033 /nfs/dbraw/zinc/07/00/33/858070033.db2.gz ZMNZZWLURKQMGH-QFIPXVFZSA-N 1 0 413.525 4.145 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@H+](CCc2ccccn2)Cc2cccnc2)cc1Cl ZINC000430344318 858128009 /nfs/dbraw/zinc/12/80/09/858128009.db2.gz OGWPITVOWQALGQ-UHFFFAOYSA-N 1 0 419.916 4.075 20 30 HIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430671302 858261838 /nfs/dbraw/zinc/26/18/38/858261838.db2.gz WJNNOFOMGUZJFR-CKUXNOBLSA-N 1 0 405.542 4.131 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@@H](c2ccccc2F)C1 ZINC000431060430 858426880 /nfs/dbraw/zinc/42/68/80/858426880.db2.gz YMEWLYDJUVNILY-RTWAWAEBSA-N 1 0 408.521 4.107 20 30 HIEDRO C=CCN1C(=O)N([C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431419098 858605775 /nfs/dbraw/zinc/60/57/75/858605775.db2.gz CRTXLQUOTMAPGB-TUACAJSNSA-N 1 0 417.553 4.101 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NCC2CC[NH+](CCC(C)C)CC2)c1C#N ZINC000431572327 858674168 /nfs/dbraw/zinc/67/41/68/858674168.db2.gz UFRJPOCIMSYEDC-UHFFFAOYSA-N 1 0 400.592 4.040 20 30 HIEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000431693229 858743108 /nfs/dbraw/zinc/74/31/08/858743108.db2.gz RXBHEIVYLWTZAV-OAQYLSRUSA-N 1 0 405.546 4.385 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431700319 858749487 /nfs/dbraw/zinc/74/94/87/858749487.db2.gz VBNPCNWFSNHNMZ-UGKGYDQZSA-N 1 0 422.529 4.346 20 30 HIEDRO N#CCCC[C@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000431809801 858822831 /nfs/dbraw/zinc/82/28/31/858822831.db2.gz GKFDLAJDCQVJQL-DEOSSOPVSA-N 1 0 404.558 4.428 20 30 HIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCCC(=O)Nc2ccccc2C#N)CC1 ZINC000432328020 859104659 /nfs/dbraw/zinc/10/46/59/859104659.db2.gz JEOQSJRHZGSOAX-IBGZPJMESA-N 1 0 418.541 4.009 20 30 HIEDRO C[C@@H]1C[N@H+](CCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCCO1 ZINC000432540054 859216897 /nfs/dbraw/zinc/21/68/97/859216897.db2.gz BNWLSAYUJLVBDJ-LJQANCHMSA-N 1 0 423.582 4.081 20 30 HIEDRO N#Cc1cscc1C(=O)Nc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000432715227 859314883 /nfs/dbraw/zinc/31/48/83/859314883.db2.gz YDNVAAIBMRBDIP-UHFFFAOYSA-N 1 0 416.550 4.190 20 30 HIEDRO N#CCCC[C@H]([NH2+]CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000433011033 859476257 /nfs/dbraw/zinc/47/62/57/859476257.db2.gz MJWPWSVZJBBZIE-VXKWHMMOSA-N 1 0 419.525 4.146 20 30 HIEDRO N#CCCC[C@@H]([NH2+]C[C@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000433010564 859476485 /nfs/dbraw/zinc/47/64/85/859476485.db2.gz CNCRIWRSOAOMKY-AZUAARDMSA-N 1 0 403.320 4.214 20 30 HIEDRO N#CCCC[C@@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000433016976 859479897 /nfs/dbraw/zinc/47/98/97/859479897.db2.gz WDXYHQACPOJRBV-AZUAARDMSA-N 1 0 403.320 4.214 20 30 HIEDRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)c1 ZINC000433016871 859479906 /nfs/dbraw/zinc/47/99/06/859479906.db2.gz VHCJOUWHJJBYQM-PKTZIBPZSA-N 1 0 421.541 4.392 20 30 HIEDRO N#CCCC[C@@H]([NH2+]CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000433020722 859482321 /nfs/dbraw/zinc/48/23/21/859482321.db2.gz TYFIXPUCBOIOOR-HSZRJFAPSA-N 1 0 424.976 4.009 20 30 HIEDRO Cc1nn(-c2ccccc2)c(C)c1CNC(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433033723 859491786 /nfs/dbraw/zinc/49/17/86/859491786.db2.gz WJDODHHSKQBRTF-DEOSSOPVSA-N 1 0 415.541 4.130 20 30 HIEDRO C[N@@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C[C@H](O)COCC(F)(F)F ZINC000433188301 859560401 /nfs/dbraw/zinc/56/04/01/859560401.db2.gz CHINUAOAZJWYTD-LBPRGKRZSA-N 1 0 413.280 4.096 20 30 HIEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433295838 859622023 /nfs/dbraw/zinc/62/20/23/859622023.db2.gz GDNOPTFKPMMVJR-OAHLLOKOSA-N 1 0 418.360 4.275 20 30 HIEDRO Cc1ccccc1C1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCOCC1 ZINC000433332857 859647818 /nfs/dbraw/zinc/64/78/18/859647818.db2.gz ZKFOFKAYWVTFIS-UHFFFAOYSA-N 1 0 415.541 4.005 20 30 HIEDRO N#C[C@H](CCc1ccccc1)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000433354980 859658755 /nfs/dbraw/zinc/65/87/55/859658755.db2.gz UMXVOOHTQBUSDY-NRFANRHFSA-N 1 0 409.961 4.441 20 30 HIEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000433833296 859921321 /nfs/dbraw/zinc/92/13/21/859921321.db2.gz NFUUJBDTCOTBKI-FQEVSTJZSA-N 1 0 407.562 4.491 20 30 HIEDRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 ZINC000467703287 881499290 /nfs/dbraw/zinc/49/92/90/881499290.db2.gz ATSZKROYMDULQV-GOSISDBHSA-N 1 0 418.607 4.293 20 30 HIEDRO COc1cccc(C2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC2)c1 ZINC000434991688 860588294 /nfs/dbraw/zinc/58/82/94/860588294.db2.gz OJRLWFISUURYSU-UHFFFAOYSA-N 1 0 401.514 4.247 20 30 HIEDRO C[N@H+](Cc1cccc(OCc2cccc(C#N)c2)c1)C1CCN(c2cnccn2)CC1 ZINC000435029217 860606765 /nfs/dbraw/zinc/60/67/65/860606765.db2.gz LVBZWMYXBFYTNR-UHFFFAOYSA-N 1 0 413.525 4.028 20 30 HIEDRO COc1ccc(C[NH+]2CCC(Nc3cccc(Br)c3)CC2)cc1C#N ZINC000435032121 860607765 /nfs/dbraw/zinc/60/77/65/860607765.db2.gz DKRCKTKIUFCEGW-UHFFFAOYSA-N 1 0 400.320 4.406 20 30 HIEDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C12CCCCC2 ZINC000435128152 860653452 /nfs/dbraw/zinc/65/34/52/860653452.db2.gz ZNVJOQJMANWJDT-FCHUYYIVSA-N 1 0 407.562 4.418 20 30 HIEDRO COc1ccc(C[C@@H](C)C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000435129250 860654303 /nfs/dbraw/zinc/65/43/03/860654303.db2.gz MEQJENICBGZXOJ-LJQANCHMSA-N 1 0 403.530 4.178 20 30 HIEDRO C=CCC[C@@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000435749617 861029145 /nfs/dbraw/zinc/02/91/45/861029145.db2.gz KJKQTCFEBYSJGM-XMMPIXPASA-N 1 0 419.569 4.477 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@H]2Cc2ccccc2)c1C#N ZINC000437842418 863199144 /nfs/dbraw/zinc/19/91/44/863199144.db2.gz YFXPZUXLZGFHDJ-NRFANRHFSA-N 1 0 416.525 4.264 20 30 HIEDRO N#Cc1ccc(OCc2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)o2)cc1 ZINC000437856334 863214756 /nfs/dbraw/zinc/21/47/56/863214756.db2.gz ZKUQJSUYQQXKKG-FQEVSTJZSA-N 1 0 407.514 4.257 20 30 HIEDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000437897792 863268522 /nfs/dbraw/zinc/26/85/22/863268522.db2.gz RIMZQPURINGSQC-NRFANRHFSA-N 1 0 406.530 4.280 20 30 HIEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccccc1Sc1ccccc1C#N ZINC000437949158 863323241 /nfs/dbraw/zinc/32/32/41/863323241.db2.gz CMGXCHAWUFGBRV-HLAWJBBLSA-N 1 0 421.566 4.033 20 30 HIEDRO C[C@@H](CC[NH+](C)C)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000437958487 863330826 /nfs/dbraw/zinc/33/08/26/863330826.db2.gz BFURCJWIZYXOKW-HNNXBMFYSA-N 1 0 400.910 4.252 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000437960977 863331799 /nfs/dbraw/zinc/33/17/99/863331799.db2.gz GVXLXJNCVRFSQW-NQIIRXRSSA-N 1 0 406.530 4.392 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000437960982 863331915 /nfs/dbraw/zinc/33/19/15/863331915.db2.gz GVXLXJNCVRFSQW-RXVVDRJESA-N 1 0 406.530 4.392 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000438180358 863604342 /nfs/dbraw/zinc/60/43/42/863604342.db2.gz CBMQLVAIHQZHKW-SFHVURJKSA-N 1 0 408.502 4.165 20 30 HIEDRO COc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c(Cl)c1OC ZINC000438460687 863882924 /nfs/dbraw/zinc/88/29/24/863882924.db2.gz CEBDJSSOMUWQAI-UHFFFAOYSA-N 1 0 401.894 4.104 20 30 HIEDRO Fc1ccc(C#CC[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1 ZINC000438720274 864202534 /nfs/dbraw/zinc/20/25/34/864202534.db2.gz XCSFFIGXKUIJEN-MRXNPFEDSA-N 1 0 402.395 4.118 20 30 HIEDRO COc1ccc([C@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)[NH+]2CCCC2)cc1 ZINC000438850247 864344767 /nfs/dbraw/zinc/34/47/67/864344767.db2.gz USTHHLQQCAAKGJ-GOTSBHOMSA-N 1 0 406.530 4.176 20 30 HIEDRO O=C(Nc1ccc(Br)cc1)C1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000438906694 864386650 /nfs/dbraw/zinc/38/66/50/864386650.db2.gz FMTXDIYPQZOXNS-UHFFFAOYSA-N 1 0 415.306 4.290 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)sc2c1CCCC2 ZINC000439000339 864454605 /nfs/dbraw/zinc/45/46/05/864454605.db2.gz AAMFDGLPMLMXIU-RLLQIKCJSA-N 1 0 415.603 4.233 20 30 HIEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000439098670 864539055 /nfs/dbraw/zinc/53/90/55/864539055.db2.gz HVMYWUBVHLNCFT-UHFFFAOYSA-N 1 0 414.406 4.375 20 30 HIEDRO CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](CCC#N)c3ccccc3)c(C)c2)CC1 ZINC000439127640 864563282 /nfs/dbraw/zinc/56/32/82/864563282.db2.gz BXDRZCVBYJJICY-QHCPKHFHSA-N 1 0 405.546 4.304 20 30 HIEDRO CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439439366 864832042 /nfs/dbraw/zinc/83/20/42/864832042.db2.gz OBAVDCHWBDUOTF-MRXNPFEDSA-N 1 0 401.860 4.225 20 30 HIEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc(C#N)cc2Cl)CC1 ZINC000439458773 864839117 /nfs/dbraw/zinc/83/91/17/864839117.db2.gz ULKGJUDPWFQGKK-INIZCTEOSA-N 1 0 400.929 4.343 20 30 HIEDRO CCCC[NH+]1CCC(NC(=O)Nc2cnn(-c3cccc(C#N)c3)c2CCC)CC1 ZINC000439668346 865000072 /nfs/dbraw/zinc/00/00/72/865000072.db2.gz CQEGYQLBRUZDCS-UHFFFAOYSA-N 1 0 408.550 4.082 20 30 HIEDRO CCCc1c(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439684165 865019432 /nfs/dbraw/zinc/01/94/32/865019432.db2.gz KNWACPDMCUNJKO-HKUYNNGSSA-N 1 0 408.550 4.033 20 30 HIEDRO COc1ccccc1[C@H](CNC(=O)N[C@@H](CCC#N)c1ccccc1)[NH+]1CCCC1 ZINC000440206488 865439815 /nfs/dbraw/zinc/43/98/15/865439815.db2.gz IIJOVIJPTXVUAJ-VXKWHMMOSA-N 1 0 406.530 4.176 20 30 HIEDRO C[C@H]([NH2+]C1(CNC(=O)N[C@@H](CCC#N)c2ccccc2)CCOCC1)c1ccccc1 ZINC000440238402 865476522 /nfs/dbraw/zinc/47/65/22/865476522.db2.gz BXUFZWKVUISFQQ-REWPJTCUSA-N 1 0 420.557 4.231 20 30 HIEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000440321802 865591892 /nfs/dbraw/zinc/59/18/92/865591892.db2.gz AKSUDZFQWOJXDW-UHFFFAOYSA-N 1 0 411.303 4.482 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1cc(F)c(C)cc1F ZINC000440864792 865963785 /nfs/dbraw/zinc/96/37/85/865963785.db2.gz WTDRHPODSZACEF-UHFFFAOYSA-N 1 0 420.529 4.054 20 30 HIEDRO CC[C@@H](O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1 ZINC000441076780 866171206 /nfs/dbraw/zinc/17/12/06/866171206.db2.gz YMPRBPWIFHSPIJ-GOSISDBHSA-N 1 0 411.571 4.100 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c1C ZINC000441344049 866415483 /nfs/dbraw/zinc/41/54/83/866415483.db2.gz XFWYAHBARBWWDQ-XMMPIXPASA-N 1 0 404.558 4.453 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000441352356 866421892 /nfs/dbraw/zinc/42/18/92/866421892.db2.gz KJQXPIISFOLUJU-KNQAVFIVSA-N 1 0 420.557 4.233 20 30 HIEDRO N#Cc1ccc(OC[C@H](O)C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)cc1 ZINC000441402881 866477052 /nfs/dbraw/zinc/47/70/52/866477052.db2.gz HZKOCTGHHXKBMX-GOSISDBHSA-N 1 0 402.947 4.208 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Sc3ccc(C)cc3C)cc2)CC1 ZINC000442299401 867314125 /nfs/dbraw/zinc/31/41/25/867314125.db2.gz YAUFTIYVRDVEKA-UHFFFAOYSA-N 1 0 423.582 4.160 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cc2ccccc2o1 ZINC000442890270 867722711 /nfs/dbraw/zinc/72/27/11/867722711.db2.gz HIXREUASYFPCIZ-OAHLLOKOSA-N 1 0 400.400 4.270 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)c1cccc(OC)c1 ZINC000468240144 882137546 /nfs/dbraw/zinc/13/75/46/882137546.db2.gz DRLJSJKJQPBERH-JOCHJYFZSA-N 1 0 418.497 4.035 20 30 HIEDRO C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000443672748 868279024 /nfs/dbraw/zinc/27/90/24/868279024.db2.gz HGXYOBKJURUNMX-KDURUIRLSA-N 1 0 423.582 4.329 20 30 HIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(Oc4cccc(F)c4)cc3)C2=O)cc1 ZINC000443997195 868518110 /nfs/dbraw/zinc/51/81/10/868518110.db2.gz LURBVAYOILMUHO-DEOSSOPVSA-N 1 0 415.468 4.380 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(C)C ZINC000444020202 868545994 /nfs/dbraw/zinc/54/59/94/868545994.db2.gz KHXDRSNGSJMECP-HSZRJFAPSA-N 1 0 403.526 4.110 20 30 HIEDRO C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c2)C1 ZINC000444381330 868801782 /nfs/dbraw/zinc/80/17/82/868801782.db2.gz HRTBCUIXQVYARS-SIKLNZKXSA-N 1 0 400.567 4.481 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000444496864 868858180 /nfs/dbraw/zinc/85/81/80/868858180.db2.gz QXSTYYBENQVHCV-UHFFFAOYSA-N 1 0 410.362 4.423 20 30 HIEDRO COc1cc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000444796402 869013832 /nfs/dbraw/zinc/01/38/32/869013832.db2.gz BLBSNRZQJSDJFS-JOCHJYFZSA-N 1 0 416.525 4.259 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N(C)C[C@@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000468327763 882260928 /nfs/dbraw/zinc/26/09/28/882260928.db2.gz SGFVNMPAOPMVSY-CQSZACIVSA-N 1 0 400.350 4.053 20 30 HIEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC000445992191 869954505 /nfs/dbraw/zinc/95/45/05/869954505.db2.gz JOXNYPKHKHONCZ-UYAOXDASSA-N 1 0 422.472 4.277 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)c1C#N ZINC000445995362 869958278 /nfs/dbraw/zinc/95/82/78/869958278.db2.gz LAOYLIMSZABZHZ-JTHBVZDNSA-N 1 0 416.525 4.482 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(OCC(F)F)c(C(F)(F)F)c2)CC1 ZINC000446282400 870215241 /nfs/dbraw/zinc/21/52/41/870215241.db2.gz GILUEWKFSPYIMS-UHFFFAOYSA-N 1 0 407.383 4.121 20 30 HIEDRO C=CCOc1ccc(C[NH2+]C2(c3cccc(OC)c3F)CCOCC2)cc1OC ZINC000446822835 870738424 /nfs/dbraw/zinc/73/84/24/870738424.db2.gz YTQKLDXLOMHFLS-UHFFFAOYSA-N 1 0 401.478 4.203 20 30 HIEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000447046079 870922703 /nfs/dbraw/zinc/92/27/03/870922703.db2.gz YTIIHQIMSOICAZ-UHFFFAOYSA-N 1 0 420.532 4.284 20 30 HIEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000447443797 871341184 /nfs/dbraw/zinc/34/11/84/871341184.db2.gz UUNATEFKYDVSIA-UHFFFAOYSA-N 1 0 418.522 4.323 20 30 HIEDRO N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2)cc1 ZINC000448204511 872094012 /nfs/dbraw/zinc/09/40/12/872094012.db2.gz OHFMIJYFYGBEKK-RCZVLFRGSA-N 1 0 415.537 4.226 20 30 HIEDRO COc1cc(CNC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)ccc1C#N ZINC000460235586 872824361 /nfs/dbraw/zinc/82/43/61/872824361.db2.gz YNWHIZRYWWEKHM-GOSISDBHSA-N 1 0 406.530 4.030 20 30 HIEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460378836 873018808 /nfs/dbraw/zinc/01/88/08/873018808.db2.gz ZVBMJWDGRFFMIY-ICSRJNTNSA-N 1 0 404.562 4.378 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000460769260 873615431 /nfs/dbraw/zinc/61/54/31/873615431.db2.gz HNZNZPUHSARGNT-LGGPRVQUSA-N 1 0 409.578 4.018 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460775891 873628322 /nfs/dbraw/zinc/62/83/22/873628322.db2.gz HQRRHXKXBXPADT-KKSHJYNMSA-N 1 0 423.605 4.441 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460778947 873632686 /nfs/dbraw/zinc/63/26/86/873632686.db2.gz OEAFMRKLWAHSKQ-FUHWJXTLSA-N 1 0 417.504 4.186 20 30 HIEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460802723 873674611 /nfs/dbraw/zinc/67/46/11/873674611.db2.gz CGEGNUCYCWPSDC-UHFFFAOYSA-N 1 0 423.536 4.084 20 30 HIEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000460927077 873831657 /nfs/dbraw/zinc/83/16/57/873831657.db2.gz MQQWSLYADKJHHO-VWLOTQADSA-N 1 0 416.573 4.342 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460963170 873860438 /nfs/dbraw/zinc/86/04/38/873860438.db2.gz XNSZZEBOLAGKJV-HKUYNNGSSA-N 1 0 415.969 4.150 20 30 HIEDRO C=C(C)Cn1c(CC2CCCC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460964700 873861784 /nfs/dbraw/zinc/86/17/84/873861784.db2.gz VVHQFVRPQNHOCL-UHFFFAOYSA-N 1 0 418.589 4.171 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000461436314 874487493 /nfs/dbraw/zinc/48/74/93/874487493.db2.gz AYLCLFLTJHCYRC-FQEVSTJZSA-N 1 0 403.526 4.085 20 30 HIEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@@H]1C ZINC000461492673 874561009 /nfs/dbraw/zinc/56/10/09/874561009.db2.gz YUODDBGORNPCFV-FXAWDEMLSA-N 1 0 420.586 4.236 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000468776756 882854901 /nfs/dbraw/zinc/85/49/01/882854901.db2.gz BIROGDHOMNFOPD-GOSISDBHSA-N 1 0 406.530 4.330 20 30 HIEDRO Cc1cc(-c2cccc(F)c2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000462097618 875207234 /nfs/dbraw/zinc/20/72/34/875207234.db2.gz LVFRDHPVGNYLTK-UHFFFAOYSA-N 1 0 401.489 4.175 20 30 HIEDRO C=CCOc1c(Br)cc(CN[C@H]2CC[N@H+](CC3CCCC3)C2)cc1OC ZINC000462750974 875818089 /nfs/dbraw/zinc/81/80/89/875818089.db2.gz SKASYVYOFRKCHW-SFHVURJKSA-N 1 0 423.395 4.377 20 30 HIEDRO C=CCc1cc(C[NH2+]C[C@H](C)Oc2cccc(Br)c2)cc(OC)c1O ZINC000462759924 875822976 /nfs/dbraw/zinc/82/29/76/875822976.db2.gz ZWOINGCBJIRZCT-AWEZNQCLSA-N 1 0 406.320 4.449 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1OCCCO)c1ccc(C#N)cc1 ZINC000462954623 875972139 /nfs/dbraw/zinc/97/21/39/875972139.db2.gz BUOHHEKVUXZHDX-HUUCEWRRSA-N 1 0 403.320 4.494 20 30 HIEDRO C=CCc1cc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc(OC)c1OC ZINC000468932489 882996833 /nfs/dbraw/zinc/99/68/33/882996833.db2.gz LREAFXMTJYBXGW-JOCHJYFZSA-N 1 0 408.542 4.103 20 30 HIEDRO C[C@@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Br)cc1OCCCO ZINC000463373829 876429962 /nfs/dbraw/zinc/42/99/62/876429962.db2.gz XZNMHWRWRRODNS-CYBMUJFWSA-N 1 0 407.283 4.072 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1CCCCC12CCCC2 ZINC000463443573 876501037 /nfs/dbraw/zinc/50/10/37/876501037.db2.gz XWDAOUTZULTSCP-FQEVSTJZSA-N 1 0 400.567 4.044 20 30 HIEDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1ccc(Br)s1 ZINC000463484758 876542920 /nfs/dbraw/zinc/54/29/20/876542920.db2.gz OPHKAVOPBBKCJX-AWEZNQCLSA-N 1 0 420.376 4.076 20 30 HIEDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1ccc(Br)s1 ZINC000463484859 876543197 /nfs/dbraw/zinc/54/31/97/876543197.db2.gz OPHKAVOPBBKCJX-CQSZACIVSA-N 1 0 420.376 4.076 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1cccc(C(F)(F)F)c1 ZINC000463508266 876569998 /nfs/dbraw/zinc/56/99/98/876569998.db2.gz URLSZWSJTJXLKX-UHFFFAOYSA-N 1 0 403.448 4.100 20 30 HIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)CC(=O)NCc1cccc(C#N)c1 ZINC000468999432 883066275 /nfs/dbraw/zinc/06/62/75/883066275.db2.gz NVEUJQKYVMVPEN-QGZVFWFLSA-N 1 0 404.539 4.299 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000463725913 876845417 /nfs/dbraw/zinc/84/54/17/876845417.db2.gz VAVGUKJANMYOKN-UHFFFAOYSA-N 1 0 412.555 4.370 20 30 HIEDRO Cc1oc2ccccc2c1CCNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000464155066 877323753 /nfs/dbraw/zinc/32/37/53/877323753.db2.gz UIYVTWSIRJCULY-UHFFFAOYSA-N 1 0 416.525 4.073 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@@H](CO)c2ccc(Br)cc2)ccc1OC ZINC000503256349 912235259 /nfs/dbraw/zinc/23/52/59/912235259.db2.gz ACUJPVAYQLOXOR-SFHVURJKSA-N 1 0 406.320 4.236 20 30 HIEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2ccccc2-n2cnc(C#N)n2)c1 ZINC000464645971 877864747 /nfs/dbraw/zinc/86/47/47/877864747.db2.gz WLFUCNVRPBDISQ-UHFFFAOYSA-N 1 0 422.492 4.023 20 30 HIEDRO CCS[C@H]1CC[C@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000464780526 878024896 /nfs/dbraw/zinc/02/48/96/878024896.db2.gz UDHWAIXCAGWJIB-HKUYNNGSSA-N 1 0 414.575 4.162 20 30 HIEDRO Cc1nc(C(C)(C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)sc1C ZINC000464807712 878054401 /nfs/dbraw/zinc/05/44/01/878054401.db2.gz IXFSQBRSNPPIDR-UHFFFAOYSA-N 1 0 402.589 4.425 20 30 HIEDRO C[C@@H]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC000464833517 878092010 /nfs/dbraw/zinc/09/20/10/878092010.db2.gz FAZAGLDHFZSOQR-OAQYLSRUSA-N 1 0 414.553 4.334 20 30 HIEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464903274 878213781 /nfs/dbraw/zinc/21/37/81/878213781.db2.gz VNICPPAJPRVPDQ-GBXCKJPGSA-N 1 0 405.542 4.085 20 30 HIEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000465188458 878582749 /nfs/dbraw/zinc/58/27/49/878582749.db2.gz UXGBEWMTLUXYTM-NTKDMRAZSA-N 1 0 421.541 4.321 20 30 HIEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CSCc3ccc(C#N)cc3)cc2)C1 ZINC000465199068 878604197 /nfs/dbraw/zinc/60/41/97/878604197.db2.gz XAAMGQWCRUPQMK-SFHVURJKSA-N 1 0 409.555 4.151 20 30 HIEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2ccc(Br)cc2)CC1 ZINC000503405063 912384158 /nfs/dbraw/zinc/38/41/58/912384158.db2.gz IVXANYVYSDIFII-FOIQADDNSA-N 1 0 406.368 4.071 20 30 HIEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000465553222 879019114 /nfs/dbraw/zinc/01/91/14/879019114.db2.gz QNBRSDRTPHHMJF-LOSJGSFVSA-N 1 0 416.569 4.441 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503437107 912445174 /nfs/dbraw/zinc/44/51/74/912445174.db2.gz WWYMYJYRQIKIKZ-RBUKOAKNSA-N 1 0 412.603 4.064 20 30 HIEDRO C=CCc1cc(C[NH2+]Cc2ccc(I)c(C)c2)cc(OC)c1O ZINC000466364529 880122199 /nfs/dbraw/zinc/12/21/99/880122199.db2.gz PBVWBPUGLXCJHC-UHFFFAOYSA-N 1 0 423.294 4.332 20 30 HIEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000466599990 880370680 /nfs/dbraw/zinc/37/06/80/880370680.db2.gz MVBFIAWGXSSZFS-IBGZPJMESA-N 1 0 421.545 4.318 20 30 HIEDRO N#CCCCOc1cccnc1NC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000466605783 880374476 /nfs/dbraw/zinc/37/44/76/880374476.db2.gz CYMDTLHMPVEIEW-UHFFFAOYSA-N 1 0 421.545 4.462 20 30 HIEDRO COC[C@@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000467117376 880874808 /nfs/dbraw/zinc/87/48/08/880874808.db2.gz KUGOFKSGEJCIRD-LJQANCHMSA-N 1 0 400.567 4.169 20 30 HIEDRO CCc1ccc([C@@H]([NH2+]CCc2cccc(C#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000467432643 881230227 /nfs/dbraw/zinc/23/02/27/881230227.db2.gz DHGJDYARHJUVPM-RUZDIDTESA-N 1 0 418.562 4.446 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000469196445 883295893 /nfs/dbraw/zinc/29/58/93/883295893.db2.gz HKJCUENBAKYWIC-IBGZPJMESA-N 1 0 408.571 4.232 20 30 HIEDRO N#CCCCn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC000469425436 883604867 /nfs/dbraw/zinc/60/48/67/883604867.db2.gz AWHMFFOURBBLBZ-NRFANRHFSA-N 1 0 400.526 4.339 20 30 HIEDRO C=CCN(CCc1ccco1)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470285318 884653976 /nfs/dbraw/zinc/65/39/76/884653976.db2.gz KOCYEWMMFVKKOR-IBGZPJMESA-N 1 0 409.452 4.341 20 30 HIEDRO CCC1(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000471059220 885573555 /nfs/dbraw/zinc/57/35/55/885573555.db2.gz KSZQOQLKUDFUIB-DEOSSOPVSA-N 1 0 414.553 4.049 20 30 HIEDRO N#Cc1ccc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1Cl ZINC000471117823 885654347 /nfs/dbraw/zinc/65/43/47/885654347.db2.gz XQUNEFWWYHJBKW-UHFFFAOYSA-N 1 0 400.832 4.138 20 30 HIEDRO C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000471132389 885670753 /nfs/dbraw/zinc/67/07/53/885670753.db2.gz WTGFLBAALOYXHE-HTAPYJJXSA-N 1 0 403.482 4.151 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000471169504 885726461 /nfs/dbraw/zinc/72/64/61/885726461.db2.gz OXOIMOQFBILCHW-CTNGQTDRSA-N 1 0 422.598 4.478 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCCC3)CC2)cc1 ZINC000504079072 912985153 /nfs/dbraw/zinc/98/51/53/912985153.db2.gz DVOPLRXGXXZKTJ-QFIPXVFZSA-N 1 0 404.514 4.177 20 30 HIEDRO COc1ccccc1[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)OC(C)C ZINC000472041760 886858933 /nfs/dbraw/zinc/85/89/33/886858933.db2.gz ATPNAWIQRMFXEN-HSZRJFAPSA-N 1 0 404.514 4.223 20 30 HIEDRO CCN(CCC[NH+]1CCCC1)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000472336124 887170903 /nfs/dbraw/zinc/17/09/03/887170903.db2.gz GLKISHVRKHUIHC-UHFFFAOYSA-N 1 0 419.529 4.150 20 30 HIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472452452 887306173 /nfs/dbraw/zinc/30/61/73/887306173.db2.gz LMCKCVSFKGDKJX-UHFFFAOYSA-N 1 0 422.495 4.284 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CC[C@H](c4ccc(F)cc4)C3)CC2)cc1 ZINC000472538238 887413594 /nfs/dbraw/zinc/41/35/94/887413594.db2.gz YSPRFVWBSZGKLO-UPVQGACJSA-N 1 0 420.532 4.251 20 30 HIEDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000472570306 887456864 /nfs/dbraw/zinc/45/68/64/887456864.db2.gz NGQBNOJRZPOAGU-JOCHJYFZSA-N 1 0 403.570 4.371 20 30 HIEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000472713374 887562297 /nfs/dbraw/zinc/56/22/97/887562297.db2.gz LXXXMZSHESHEBO-QFIPXVFZSA-N 1 0 422.529 4.315 20 30 HIEDRO CN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472722890 887570635 /nfs/dbraw/zinc/57/06/35/887570635.db2.gz GILHPDJXLMDLLO-GOSISDBHSA-N 1 0 414.456 4.288 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)cc1 ZINC000504309893 913158382 /nfs/dbraw/zinc/15/83/82/913158382.db2.gz LOKBQXOJXZQLSR-YADHBBJMSA-N 1 0 404.514 4.080 20 30 HIEDRO C[C@@H](CCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000473013059 887840783 /nfs/dbraw/zinc/84/07/83/887840783.db2.gz ZQMIRNVIOLNWSA-FQEVSTJZSA-N 1 0 420.557 4.022 20 30 HIEDRO N#Cc1ccc(Oc2ccc(C(=O)NC3CC[NH+](C4CCCCC4)CC3)cc2)nc1 ZINC000473555963 888295422 /nfs/dbraw/zinc/29/54/22/888295422.db2.gz TVYSPNYKMWHLKQ-UHFFFAOYSA-N 1 0 404.514 4.272 20 30 HIEDRO Cc1ccc2nc(C3CC3)cc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)c2c1 ZINC000473597569 888341078 /nfs/dbraw/zinc/34/10/78/888341078.db2.gz NEENSSCUJUQBJY-UHFFFAOYSA-N 1 0 412.537 4.496 20 30 HIEDRO COc1ccc(C#N)cc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473615734 888355515 /nfs/dbraw/zinc/35/55/15/888355515.db2.gz RHYMMFRHTCVKKE-DEOSSOPVSA-N 1 0 404.514 4.087 20 30 HIEDRO CC(C)(CCC#N)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000504445864 913255048 /nfs/dbraw/zinc/25/50/48/913255048.db2.gz ZUTQBAQDTRVABN-XZOQPEGZSA-N 1 0 404.558 4.284 20 30 HIEDRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)c2)CC1 ZINC000473825600 888658684 /nfs/dbraw/zinc/65/86/84/888658684.db2.gz CPAYKWYHWNXZQU-RPWUZVMVSA-N 1 0 417.557 4.132 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474241143 889088496 /nfs/dbraw/zinc/08/84/96/889088496.db2.gz UFIOJJUBCODRKW-FPOVZHCZSA-N 1 0 422.598 4.083 20 30 HIEDRO CCC1(CNC(=O)C2(c3ccc(C#N)cc3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000474249084 889099742 /nfs/dbraw/zinc/09/97/42/889099742.db2.gz MKPRMNSDMHLWEK-UHFFFAOYSA-N 1 0 401.554 4.398 20 30 HIEDRO CN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474616851 889480550 /nfs/dbraw/zinc/48/05/50/889480550.db2.gz KAKFZWUVBPWQBM-SFHVURJKSA-N 1 0 402.420 4.315 20 30 HIEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1OC ZINC000474888764 889746011 /nfs/dbraw/zinc/74/60/11/889746011.db2.gz UQKFUCOUHGPTOR-FBIZOPLVSA-N 1 0 409.530 4.442 20 30 HIEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000475366963 890297219 /nfs/dbraw/zinc/29/72/19/890297219.db2.gz WGZOTDRAUNQWLC-UHFFFAOYSA-N 1 0 420.532 4.426 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000475543272 890466109 /nfs/dbraw/zinc/46/61/09/890466109.db2.gz CCVRUQLKZWLJTP-UHFFFAOYSA-N 1 0 421.589 4.397 20 30 HIEDRO Cn1cc(C[NH2+]CCc2cccc(OCC(F)(F)F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000475634041 890574314 /nfs/dbraw/zinc/57/43/14/890574314.db2.gz ZAXGVEOWPYCDOS-UHFFFAOYSA-N 1 0 414.431 4.232 20 30 HIEDRO N#CC[C@@H](CC(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000476428247 891340689 /nfs/dbraw/zinc/34/06/89/891340689.db2.gz NYEWVIRVMISBMY-XZOQPEGZSA-N 1 0 413.525 4.356 20 30 HIEDRO C=CCOc1ccccc1CNC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000476632274 891568775 /nfs/dbraw/zinc/56/87/75/891568775.db2.gz RVIRYXZYZRCDJW-HSZRJFAPSA-N 1 0 423.557 4.286 20 30 HIEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@@H](C)C1 ZINC000476832665 891813270 /nfs/dbraw/zinc/81/32/70/891813270.db2.gz RZANLMZCQFPJLJ-JTSKRJEESA-N 1 0 424.520 4.470 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000477044861 891972423 /nfs/dbraw/zinc/97/24/23/891972423.db2.gz QGDHXHXPOKDVEU-HXUWFJFHSA-N 1 0 420.395 4.110 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000477253950 892206798 /nfs/dbraw/zinc/20/67/98/892206798.db2.gz UFGYTMXPORDGIU-SFHVURJKSA-N 1 0 402.539 4.193 20 30 HIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(C#N)cc2)cc(I)c1OC ZINC000477337897 892304999 /nfs/dbraw/zinc/30/49/99/892304999.db2.gz LTBBXDZSABKNIO-GFCCVEGCSA-N 1 0 422.266 4.031 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2nc(-c3cccc(F)c3)c[nH]2)CC1 ZINC000477474712 892456363 /nfs/dbraw/zinc/45/63/63/892456363.db2.gz WGKOCXISCRUVDX-NRFANRHFSA-N 1 0 411.525 4.103 20 30 HIEDRO C[C@](C#N)(NC(=O)C[NH2+]C1(c2cccc(Br)c2)CCCCC1)C1CC1 ZINC000477630464 892747243 /nfs/dbraw/zinc/74/72/43/892747243.db2.gz JGUPLRXLRNMXQS-LJQANCHMSA-N 1 0 404.352 4.007 20 30 HIEDRO C=C(C)[C@H](NC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1)c1ccc(F)c(F)c1 ZINC000477657363 892791213 /nfs/dbraw/zinc/79/12/13/892791213.db2.gz DANAXFWAEYTPDY-NRFANRHFSA-N 1 0 415.484 4.179 20 30 HIEDRO C=C(C)[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)c(F)c1 ZINC000477756004 892846957 /nfs/dbraw/zinc/84/69/57/892846957.db2.gz RPERXHHLRWRVRQ-QHCPKHFHSA-N 1 0 424.495 4.371 20 30 HIEDRO Cc1cc(NC(=O)NCC(C)(C)CCC#N)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000477934898 893024416 /nfs/dbraw/zinc/02/44/16/893024416.db2.gz FXEJLIOLODKQJF-HXUWFJFHSA-N 1 0 408.550 4.090 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000478047406 893192227 /nfs/dbraw/zinc/19/22/27/893192227.db2.gz QJHLXKKPJRWJIN-IBGZPJMESA-N 1 0 414.619 4.217 20 30 HIEDRO Cc1cc(F)ccc1N1CCC[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000478238766 893400593 /nfs/dbraw/zinc/40/05/93/893400593.db2.gz QIMXNMNKUAQXAA-QFIPXVFZSA-N 1 0 403.505 4.165 20 30 HIEDRO CC(C)(C)OC(=O)c1cccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000478276815 893478195 /nfs/dbraw/zinc/47/81/95/893478195.db2.gz OXJVKCPSGURSDH-UHFFFAOYSA-N 1 0 407.514 4.388 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@](C)(c2ccc(Br)cc2)C(C)C)CC1 ZINC000478614784 893876322 /nfs/dbraw/zinc/87/63/22/893876322.db2.gz JKZIHHFBHBQMMW-HXUWFJFHSA-N 1 0 408.384 4.270 20 30 HIEDRO CC1CC[NH+](Cc2ccc(CNC(=O)NC3(c4cccc(C#N)c4)CC3)cc2)CC1 ZINC000478834059 894112145 /nfs/dbraw/zinc/11/21/45/894112145.db2.gz HZTORBNETMWTGH-UHFFFAOYSA-N 1 0 402.542 4.279 20 30 HIEDRO CC[C@@H](CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccc(OC)cc1 ZINC000479220904 894484703 /nfs/dbraw/zinc/48/47/03/894484703.db2.gz TUCUBHLIIVSCLE-NRFANRHFSA-N 1 0 405.542 4.253 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000479278333 894554417 /nfs/dbraw/zinc/55/44/17/894554417.db2.gz LXYRVNMIUUJTMB-QFIPXVFZSA-N 1 0 403.615 4.308 20 30 HIEDRO Cc1cc(OCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc(C)c1Cl ZINC000479282172 894560640 /nfs/dbraw/zinc/56/06/40/894560640.db2.gz KQTGYFKPUZGEFN-UHFFFAOYSA-N 1 0 411.933 4.010 20 30 HIEDRO N#CC1(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000479288877 894568647 /nfs/dbraw/zinc/56/86/47/894568647.db2.gz YMTHNGQBHJLONS-ZWKOTPCHSA-N 1 0 411.908 4.257 20 30 HIEDRO Cc1cccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1Br ZINC000479308725 894595286 /nfs/dbraw/zinc/59/52/86/894595286.db2.gz PGSCMXRRWDADQG-UHFFFAOYSA-N 1 0 412.331 4.046 20 30 HIEDRO CC(C)c1ccc(OCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479315409 894603458 /nfs/dbraw/zinc/60/34/58/894603458.db2.gz XACJRUPHQLIPAG-UHFFFAOYSA-N 1 0 405.542 4.253 20 30 HIEDRO CC(C)=CCOc1cccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479316731 894604836 /nfs/dbraw/zinc/60/48/36/894604836.db2.gz RBEHJCQWXBSZLH-UHFFFAOYSA-N 1 0 403.526 4.320 20 30 HIEDRO C=CCc1cc(C[NH2+][C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc(OC)c1O ZINC000479392656 894696267 /nfs/dbraw/zinc/69/62/67/894696267.db2.gz OJGFSKVADRGYDO-QGZVFWFLSA-N 1 0 420.431 4.043 20 30 HIEDRO CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCSCc1ccccc1C#N ZINC000479535691 894839770 /nfs/dbraw/zinc/83/97/70/894839770.db2.gz AMCLIBJOYPNSIT-UHFFFAOYSA-N 1 0 408.976 4.028 20 30 HIEDRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000479892675 895238887 /nfs/dbraw/zinc/23/88/87/895238887.db2.gz OHCHBROLZPYVPP-QGZVFWFLSA-N 1 0 401.514 4.233 20 30 HIEDRO CCN(CC)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000479952994 895306831 /nfs/dbraw/zinc/30/68/31/895306831.db2.gz CDQXOSQTJIDFKM-XMMPIXPASA-N 1 0 401.558 4.001 20 30 HIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCCN(c2nc3c(cc2C#N)CCCC3(C)C)CC1 ZINC000480247461 895658892 /nfs/dbraw/zinc/65/88/92/895658892.db2.gz BCKHLRJIVJDYDI-JOCHJYFZSA-N 1 0 403.574 4.453 20 30 HIEDRO C[C@H](O)[C@@](C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1 ZINC000480451197 895839247 /nfs/dbraw/zinc/83/92/47/895839247.db2.gz CVQQFSAABNXWDX-NBGIEHNGSA-N 1 0 402.542 4.183 20 30 HIEDRO Cc1ccc(OCCCC(=O)Nc2ccc(C[NH2+]Cc3cc(C#N)n(C)c3)cc2)cc1 ZINC000480652004 896020158 /nfs/dbraw/zinc/02/01/58/896020158.db2.gz KTUQMCBVCSLXAH-UHFFFAOYSA-N 1 0 416.525 4.293 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(Br)c1 ZINC000480732244 896093396 /nfs/dbraw/zinc/09/33/96/896093396.db2.gz LIZWQBAYCPEAER-QGZVFWFLSA-N 1 0 414.351 4.018 20 30 HIEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCc2ccc(Cl)cc2C#N)CC1 ZINC000480877475 896236685 /nfs/dbraw/zinc/23/66/85/896236685.db2.gz WFDDTWBPEZJMNQ-INIZCTEOSA-N 1 0 400.929 4.343 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1OCC(F)(F)F ZINC000505392676 914057641 /nfs/dbraw/zinc/05/76/41/914057641.db2.gz WVAZTSZXBZCUIH-UHFFFAOYSA-N 1 0 420.435 4.095 20 30 HIEDRO C[C@@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000481320430 896676644 /nfs/dbraw/zinc/67/66/44/896676644.db2.gz HQCJKEXFSHOASX-GHMZBOCLSA-N 1 0 418.353 4.424 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000481523074 896887608 /nfs/dbraw/zinc/88/76/08/896887608.db2.gz YBQRLPPZNBSVCG-DQEYMECFSA-N 1 0 418.585 4.433 20 30 HIEDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@H]3CCCCc4cc(C#N)ccc43)C2)c1 ZINC000481676759 897060912 /nfs/dbraw/zinc/06/09/12/897060912.db2.gz ZGUOWUNJNFUZSM-CLOONOSVSA-N 1 0 405.542 4.459 20 30 HIEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481720983 897115955 /nfs/dbraw/zinc/11/59/55/897115955.db2.gz GSMJDXYXHBQTNL-INIZCTEOSA-N 1 0 408.296 4.201 20 30 HIEDRO N#CCSc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000481887708 897262216 /nfs/dbraw/zinc/26/22/16/897262216.db2.gz MABHXORXUZYREB-JTHBVZDNSA-N 1 0 405.567 4.429 20 30 HIEDRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+][C@H]1CCCCc2cc(C#N)ccc21 ZINC000481915190 897296956 /nfs/dbraw/zinc/29/69/56/897296956.db2.gz LMJTWDBLCBEWBE-NRFANRHFSA-N 1 0 411.571 4.192 20 30 HIEDRO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000482262455 897747131 /nfs/dbraw/zinc/74/71/31/897747131.db2.gz CKDOMNFFAFUTPY-IEXUWNMDSA-N 1 0 402.542 4.315 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000482334344 897840044 /nfs/dbraw/zinc/84/00/44/897840044.db2.gz NYSPOYYATKZLSD-OAHLLOKOSA-N 1 0 424.389 4.186 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2ccccc2OC(F)F)C(F)(F)F)CC1 ZINC000482375685 897900976 /nfs/dbraw/zinc/90/09/76/897900976.db2.gz BKYFKYAZMZRMIU-MRXNPFEDSA-N 1 0 421.410 4.231 20 30 HIEDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)nnn1-c1ccc(F)cc1 ZINC000482887932 898504273 /nfs/dbraw/zinc/50/42/73/898504273.db2.gz LPQZCIFWVBGSLI-HNAYVOBHSA-N 1 0 422.483 4.045 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482930747 898551883 /nfs/dbraw/zinc/55/18/83/898551883.db2.gz UYAIUXJXLIGFRH-FYYLOGMGSA-N 1 0 418.541 4.475 20 30 HIEDRO COc1ccc(C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)CCc2ccccn2)cc1 ZINC000483071947 898754489 /nfs/dbraw/zinc/75/44/89/898754489.db2.gz VAODYRAPELQPLU-UHFFFAOYSA-N 1 0 414.509 4.035 20 30 HIEDRO CS[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000483393461 899027975 /nfs/dbraw/zinc/02/79/75/899027975.db2.gz JPCVBXHHUNWJIK-UGKGYDQZSA-N 1 0 407.539 4.002 20 30 HIEDRO N#Cc1cccc(-c2nnc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)o2)c1 ZINC000483476647 899122475 /nfs/dbraw/zinc/12/24/75/899122475.db2.gz ALDFLKGPGRICJW-GOTSBHOMSA-N 1 0 413.525 4.095 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000505620611 914322575 /nfs/dbraw/zinc/32/25/75/914322575.db2.gz KRIMBCYFGSZDQS-WIYYLYMNSA-N 1 0 411.571 4.005 20 30 HIEDRO C=CCOc1ccccc1C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000505726977 914407980 /nfs/dbraw/zinc/40/79/80/914407980.db2.gz WSDQQFODPKMTMA-UHFFFAOYSA-N 1 0 407.514 4.318 20 30 HIEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000484632114 900081980 /nfs/dbraw/zinc/08/19/80/900081980.db2.gz XIIBDYVMURCOSL-UHFFFAOYSA-N 1 0 410.396 4.036 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000484719473 900150363 /nfs/dbraw/zinc/15/03/63/900150363.db2.gz NKKWSNUJWMLORB-REWPJTCUSA-N 1 0 409.578 4.387 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000485059412 900388169 /nfs/dbraw/zinc/38/81/69/900388169.db2.gz HOSMRPRKPBAQLX-YVHKJVDXSA-N 1 0 403.592 4.186 20 30 HIEDRO C[C@H](NC(=O)NCCSCc1ccccc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485144988 900446267 /nfs/dbraw/zinc/44/62/67/900446267.db2.gz JSHIYOXCEGKLOA-UGKGYDQZSA-N 1 0 422.598 4.001 20 30 HIEDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1OC(C)C ZINC000485231640 900517075 /nfs/dbraw/zinc/51/70/75/900517075.db2.gz OAPSJYPROBXEFO-DYESRHJHSA-N 1 0 407.514 4.200 20 30 HIEDRO CC[N@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000505788637 914453517 /nfs/dbraw/zinc/45/35/17/914453517.db2.gz BYXPVBPGWBNGLX-AVRWGWEMSA-N 1 0 421.541 4.226 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000485330730 900615845 /nfs/dbraw/zinc/61/58/45/900615845.db2.gz LKTFUJGHSGNYGI-YWZLYKJASA-N 1 0 417.431 4.346 20 30 HIEDRO Cc1sc(NC(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000485337789 900626466 /nfs/dbraw/zinc/62/64/66/900626466.db2.gz PHHAGWIDNIPDOR-UNMCSNQZSA-N 1 0 422.598 4.162 20 30 HIEDRO COc1cc(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000485341747 900632543 /nfs/dbraw/zinc/63/25/43/900632543.db2.gz BRBIYCSBLVMRTF-PKTZIBPZSA-N 1 0 405.542 4.062 20 30 HIEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 ZINC000485409139 900706809 /nfs/dbraw/zinc/70/68/09/900706809.db2.gz RHWVLEKIKOTCLN-SFHVURJKSA-N 1 0 408.502 4.165 20 30 HIEDRO C=CCSc1ccccc1C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000485459618 900754255 /nfs/dbraw/zinc/75/42/55/900754255.db2.gz ACHWCCOJXGLQBU-UHFFFAOYSA-N 1 0 409.599 4.032 20 30 HIEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000486022290 901228390 /nfs/dbraw/zinc/22/83/90/901228390.db2.gz BOXQOLZOABIIOY-BTYIYWSLSA-N 1 0 409.896 4.423 20 30 HIEDRO C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000486246023 901428413 /nfs/dbraw/zinc/42/84/13/901428413.db2.gz UDAWDVWHWISTDY-UHFFFAOYSA-N 1 0 409.555 4.043 20 30 HIEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc2ncsc2c1 ZINC000487067501 902044676 /nfs/dbraw/zinc/04/46/76/902044676.db2.gz PHGHRAOHGISRKG-MRXNPFEDSA-N 1 0 407.543 4.002 20 30 HIEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc2ncsc2c1 ZINC000487067500 902045137 /nfs/dbraw/zinc/04/51/37/902045137.db2.gz PHGHRAOHGISRKG-INIZCTEOSA-N 1 0 407.543 4.002 20 30 HIEDRO C[N@@H+](Cc1ccccc1C(C)(C)C#N)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000487381740 902172413 /nfs/dbraw/zinc/17/24/13/902172413.db2.gz UMZHHSAXNOXUKA-QGZVFWFLSA-N 1 0 406.448 4.378 20 30 HIEDRO CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](Cc2ccccc2C(C)(C)C#N)C(C)C)cc1 ZINC000487384681 902174465 /nfs/dbraw/zinc/17/44/65/902174465.db2.gz AJWIMYYEEVSYHE-JOCHJYFZSA-N 1 0 423.557 4.096 20 30 HIEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1 ZINC000487468660 902220331 /nfs/dbraw/zinc/22/03/31/902220331.db2.gz FEMVWDGQNGOHGE-UHFFFAOYSA-N 1 0 417.509 4.243 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1c(Cl)cccc1[N+](=O)[O-] ZINC000487716688 902313579 /nfs/dbraw/zinc/31/35/79/902313579.db2.gz AZSVLWIRKWKAGR-UHFFFAOYSA-N 1 0 421.954 4.346 20 30 HIEDRO Cc1cc(C[N@@H+](C)Cc2cccc(NS(=O)(=O)c3ccccc3)c2)ccc1C#N ZINC000487920979 902454149 /nfs/dbraw/zinc/45/41/49/902454149.db2.gz RTDSMEJLHLUWEU-UHFFFAOYSA-N 1 0 405.523 4.300 20 30 HIEDRO N#C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(C(F)(F)F)c1 ZINC000505982192 914646014 /nfs/dbraw/zinc/64/60/14/914646014.db2.gz QHMCSLIUNWJKHG-ICSRJNTNSA-N 1 0 401.432 4.298 20 30 HIEDRO COC1CC[NH+](C2(CNc3c(C#N)cnc4c(F)cc(F)cc43)CCCC2)CC1 ZINC000488243147 902718294 /nfs/dbraw/zinc/71/82/94/902718294.db2.gz VQVCRXCHEGDWJQ-UHFFFAOYSA-N 1 0 400.473 4.220 20 30 HIEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1cccc(Oc2ccc(C#N)cc2)c1 ZINC000488296930 902759102 /nfs/dbraw/zinc/75/91/02/902759102.db2.gz KBWVAHGPSWDROJ-GOSISDBHSA-N 1 0 420.513 4.068 20 30 HIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCCc4c(Br)cccc43)C2=O)cc1 ZINC000488456158 902832827 /nfs/dbraw/zinc/83/28/27/902832827.db2.gz GBZVTUAHWUXMEP-SFTDATJTSA-N 1 0 424.342 4.089 20 30 HIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCCc4c(Br)cccc43)C2=O)cc1 ZINC000488456156 902832935 /nfs/dbraw/zinc/83/29/35/902832935.db2.gz GBZVTUAHWUXMEP-NHCUHLMSSA-N 1 0 424.342 4.089 20 30 HIEDRO COc1ccc2oc([C@H](C)[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c(C)c2c1 ZINC000488468930 902841229 /nfs/dbraw/zinc/84/12/29/902841229.db2.gz TWOCAZFHRFEFKU-HRAATJIYSA-N 1 0 403.482 4.073 20 30 HIEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2cccc(Br)c21 ZINC000488489077 902851716 /nfs/dbraw/zinc/85/17/16/902851716.db2.gz AEAOQAQPVNBQLI-XMCHAPAWSA-N 1 0 424.342 4.260 20 30 HIEDRO C[NH+]1CCC(n2ccc(NC(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)n2)CC1 ZINC000488669288 902931136 /nfs/dbraw/zinc/93/11/36/902931136.db2.gz AKDLYWCHVYPUIR-UHFFFAOYSA-N 1 0 416.485 4.458 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCSCc1ccccc1C#N ZINC000489397606 903365077 /nfs/dbraw/zinc/36/50/77/903365077.db2.gz RVAGLWOXPQDGFO-CVDCTZTESA-N 1 0 422.598 4.001 20 30 HIEDRO Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1OC(C)C ZINC000489571523 903471286 /nfs/dbraw/zinc/47/12/86/903471286.db2.gz FQSBDVMQYGAXKF-UHFFFAOYSA-N 1 0 406.530 4.394 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489791006 903601693 /nfs/dbraw/zinc/60/16/93/903601693.db2.gz YHPLKXGCIAEJFS-IAGOWNOFSA-N 1 0 412.347 4.159 20 30 HIEDRO C[C@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000489835747 903620480 /nfs/dbraw/zinc/62/04/80/903620480.db2.gz CBPKAKHPFQJNKZ-CQSZACIVSA-N 1 0 413.319 4.127 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490368672 903961158 /nfs/dbraw/zinc/96/11/58/903961158.db2.gz MSJIEJIGAOBFGU-GHTZIAJQSA-N 1 0 406.530 4.378 20 30 HIEDRO Cn1cc(C[N@@H+]2CC[C@@H](OCCCc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490570255 904108494 /nfs/dbraw/zinc/10/84/94/904108494.db2.gz PVCIRUAOKKTWLD-XMMPIXPASA-N 1 0 400.526 4.182 20 30 HIEDRO COc1ccc(C(=O)C2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)cc1 ZINC000491069495 904408917 /nfs/dbraw/zinc/40/89/17/904408917.db2.gz XMMTXRWPPKHGLP-UHFFFAOYSA-N 1 0 414.509 4.062 20 30 HIEDRO Cn1cc(C[N@H+](C)Cc2ccccc2OC(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000491073745 904410977 /nfs/dbraw/zinc/41/09/77/904410977.db2.gz AHTGQXNEMVGHHP-UHFFFAOYSA-N 1 0 400.404 4.489 20 30 HIEDRO COc1ccc(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC(F)F ZINC000491131815 904445902 /nfs/dbraw/zinc/44/59/02/904445902.db2.gz DGWNUCOPZHOUHE-UHFFFAOYSA-N 1 0 412.440 4.201 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000491525555 904635867 /nfs/dbraw/zinc/63/58/67/904635867.db2.gz PEHLWVFDJNIDNF-NRFANRHFSA-N 1 0 406.530 4.032 20 30 HIEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000492693632 904889107 /nfs/dbraw/zinc/88/91/07/904889107.db2.gz XXAJBGPELCLZJM-LJQANCHMSA-N 1 0 405.542 4.406 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000493444530 905125401 /nfs/dbraw/zinc/12/54/01/905125401.db2.gz WCKYUFLDVQKKEQ-BVSLBCMMSA-N 1 0 405.542 4.331 20 30 HIEDRO C=C(C)C[NH2+]Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2OC)c(OC)c1 ZINC000512389921 921125947 /nfs/dbraw/zinc/12/59/47/921125947.db2.gz VQXYCZITQVCPIE-UHFFFAOYSA-N 1 0 404.894 4.040 20 30 HIEDRO N#Cc1c(C[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cn2ccccc12 ZINC000493816824 905226676 /nfs/dbraw/zinc/22/66/76/905226676.db2.gz JDRJBYXRSIYGKZ-HNNXBMFYSA-N 1 0 424.430 4.252 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000493923541 905276289 /nfs/dbraw/zinc/27/62/89/905276289.db2.gz CFDANEXQZPAUKT-KPOBHBOGSA-N 1 0 406.498 4.049 20 30 HIEDRO C[C@H](Sc1ccccc1Cl)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000494358846 905659981 /nfs/dbraw/zinc/65/99/81/905659981.db2.gz BQXYZASLYIMKIO-INIZCTEOSA-N 1 0 401.963 4.283 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(C#N)c1C ZINC000494475031 905754897 /nfs/dbraw/zinc/75/48/97/905754897.db2.gz LNZDWBNKCNHAOO-UZCIPKQKSA-N 1 0 405.857 4.007 20 30 HIEDRO C[NH+](C)CC1(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CCCCC1 ZINC000495097618 906238280 /nfs/dbraw/zinc/23/82/80/906238280.db2.gz IGRISQSLNLQDLT-UHFFFAOYSA-N 1 0 404.514 4.261 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+]CC1(c2ccccc2C)CCOCC1 ZINC000495634220 906515797 /nfs/dbraw/zinc/51/57/97/906515797.db2.gz BKUXKBMKMMHGHK-HXUWFJFHSA-N 1 0 412.599 4.298 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+]CC1(c2ccccc2C)CCOCC1 ZINC000495634219 906516466 /nfs/dbraw/zinc/51/64/66/906516466.db2.gz BKUXKBMKMMHGHK-FQEVSTJZSA-N 1 0 412.599 4.298 20 30 HIEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccco1 ZINC000496247912 906638297 /nfs/dbraw/zinc/63/82/97/906638297.db2.gz UPRWULIPEQRBIO-WYNBGMTASA-N 1 0 424.545 4.270 20 30 HIEDRO C[C@H](NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000512637499 921270314 /nfs/dbraw/zinc/27/03/14/921270314.db2.gz WKDPODDTSAIDDZ-HNNXBMFYSA-N 1 0 420.454 4.319 20 30 HIEDRO CCN(C(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1)C1CCCCC1 ZINC000512801300 921314077 /nfs/dbraw/zinc/31/40/77/921314077.db2.gz LBJANXAMSRSBGS-KRWDZBQOSA-N 1 0 401.526 4.110 20 30 HIEDRO CCCC[C@H](C(=O)Nc1cc(C)on1)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512832814 921336093 /nfs/dbraw/zinc/33/60/93/921336093.db2.gz JWFRZRQMXFPGBJ-LJQANCHMSA-N 1 0 414.481 4.035 20 30 HIEDRO N#CC1(NC(=O)Cc2c[nH]c3cccc(Cl)c23)CC[NH+](Cc2ccccc2)CC1 ZINC000498220624 907749470 /nfs/dbraw/zinc/74/94/70/907749470.db2.gz BIPRWWKZGMQOIA-UHFFFAOYSA-N 1 0 406.917 4.038 20 30 HIEDRO CN1CCO[C@H]([C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)c2ccc(Cl)cc2)C1 ZINC000498366732 907860946 /nfs/dbraw/zinc/86/09/46/907860946.db2.gz YWCFDITXJOJAGX-GOTSBHOMSA-N 1 0 413.949 4.184 20 30 HIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498708460 908134745 /nfs/dbraw/zinc/13/47/45/908134745.db2.gz UYRFIUDNBMGVBE-HYBUGGRVSA-N 1 0 404.558 4.389 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000499109040 908468742 /nfs/dbraw/zinc/46/87/42/908468742.db2.gz DBHAZTHBRWZCPE-QPPBQGQZSA-N 1 0 423.605 4.462 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000499208217 908563847 /nfs/dbraw/zinc/56/38/47/908563847.db2.gz OLABSYQLJHSOAX-UHFFFAOYSA-N 1 0 419.550 4.463 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)c1C#N ZINC000499624673 908859032 /nfs/dbraw/zinc/85/90/32/908859032.db2.gz ZJQGESXSRNXGKZ-UHFFFAOYSA-N 1 0 420.582 4.289 20 30 HIEDRO CC(C)c1nc(C2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)no1 ZINC000513026481 921486832 /nfs/dbraw/zinc/48/68/32/921486832.db2.gz BTFCULNPZXTULV-UHFFFAOYSA-N 1 0 404.518 4.350 20 30 HIEDRO CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)[NH+](C)C)cc1 ZINC000500110822 909592734 /nfs/dbraw/zinc/59/27/34/909592734.db2.gz LKIDOPRBFWFDJN-XZOQPEGZSA-N 1 0 408.546 4.421 20 30 HIEDRO CC(C)(C)OC(=O)c1cccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000500121260 909603598 /nfs/dbraw/zinc/60/35/98/909603598.db2.gz ZMNKRCKTZQQFQI-UHFFFAOYSA-N 1 0 419.525 4.364 20 30 HIEDRO C/C(=C/c1ccccc1C(F)(F)F)C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000500370047 909818118 /nfs/dbraw/zinc/81/81/18/909818118.db2.gz ZXOQQAIYEIDSOK-JQFUVSSDSA-N 1 0 413.443 4.371 20 30 HIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000501401796 910531413 /nfs/dbraw/zinc/53/14/13/910531413.db2.gz XJQNEWZNGKDVEA-DEOSSOPVSA-N 1 0 404.558 4.317 20 30 HIEDRO CCN(C(=O)CCc1c(C)nn(CCC#N)c1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000501959778 910944955 /nfs/dbraw/zinc/94/49/55/910944955.db2.gz IJUKSLHTMZXARV-REWPJTCUSA-N 1 0 421.589 4.030 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H](C)c2ccc3n[nH]cc3c2)c1C#N ZINC000513204225 921621666 /nfs/dbraw/zinc/62/16/66/921621666.db2.gz CZGLRYYFMJVTLR-OAHLLOKOSA-N 1 0 404.518 4.257 20 30 HIEDRO C=C(C)[C@H](NC(=O)N[C@@H](C[NH+](C)C)c1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000502014768 910979376 /nfs/dbraw/zinc/97/93/76/910979376.db2.gz GEUZBUOWRVCCJY-SFTDATJTSA-N 1 0 403.473 4.193 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 ZINC000502190256 911128396 /nfs/dbraw/zinc/12/83/96/911128396.db2.gz UKFFEVBXILHGBA-CPJSRVTESA-N 1 0 414.553 4.268 20 30 HIEDRO N#Cc1cccc(NC(=O)C2CCN(Cc3coc(-c4cccc(F)c4)n3)CC2)c1 ZINC000502204547 911148607 /nfs/dbraw/zinc/14/86/07/911148607.db2.gz HXWYHVJZYJSTGR-UHFFFAOYSA-N 1 0 404.445 4.203 20 30 HIEDRO C/C=C/c1ccc(OC[C@@H](O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000502507450 911511825 /nfs/dbraw/zinc/51/18/25/911511825.db2.gz OEFJWEZYFJQDEO-CRTIWDKESA-N 1 0 404.510 4.129 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502638596 911671286 /nfs/dbraw/zinc/67/12/86/911671286.db2.gz WWBCKMHIRKMVCE-UHFFFAOYSA-N 1 0 406.530 4.474 20 30 HIEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000502845980 911856228 /nfs/dbraw/zinc/85/62/28/911856228.db2.gz NDHFZZDJOGUXGB-HSZRJFAPSA-N 1 0 403.526 4.228 20 30 HIEDRO CCCOc1nc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)cc2ccccc21 ZINC000513299157 921697085 /nfs/dbraw/zinc/69/70/85/921697085.db2.gz CRVBXSNTMKCHEI-UHFFFAOYSA-N 1 0 416.525 4.099 20 30 HIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000502900129 911891146 /nfs/dbraw/zinc/89/11/46/911891146.db2.gz XJWPDFKJKFHQCH-DEOSSOPVSA-N 1 0 420.557 4.131 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cccc(Br)c1Cl ZINC000503068516 912033363 /nfs/dbraw/zinc/03/33/63/912033363.db2.gz KRKGEWSFJVQSKF-UHFFFAOYSA-N 1 0 420.738 4.178 20 30 HIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)C1 ZINC000506467950 915065064 /nfs/dbraw/zinc/06/50/64/915065064.db2.gz VBKJHHMGLIGIGV-GOSISDBHSA-N 1 0 405.517 4.277 20 30 HIEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506475117 915074115 /nfs/dbraw/zinc/07/41/15/915074115.db2.gz SKIQGNDBFGQHFO-HKBOAZHASA-N 1 0 414.569 4.047 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@H](c4nccs4)C3)sc2C1 ZINC000506562835 915210270 /nfs/dbraw/zinc/21/02/70/915210270.db2.gz QAVPEHWXQZXLAP-GJZGRUSLSA-N 1 0 414.600 4.409 20 30 HIEDRO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513406205 921775449 /nfs/dbraw/zinc/77/54/49/921775449.db2.gz OEIXTVQPUUDUFC-MBSDFSHPSA-N 1 0 407.533 4.486 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CCC(C[NH+](C)C)CC2)cc1OCC ZINC000506885006 915678146 /nfs/dbraw/zinc/67/81/46/915678146.db2.gz OCVQRRFCEJWAMO-UHFFFAOYSA-N 1 0 411.384 4.186 20 30 HIEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000507077352 915856174 /nfs/dbraw/zinc/85/61/74/915856174.db2.gz KUNMSKYZDHGMPP-UHFFFAOYSA-N 1 0 408.452 4.206 20 30 HIEDRO N#CCCCOc1cccc(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000507172267 915914501 /nfs/dbraw/zinc/91/45/01/915914501.db2.gz AFSPRCUFCFMTQV-NRFANRHFSA-N 1 0 413.468 4.465 20 30 HIEDRO N#Cc1ccccc1N1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000507287242 916054883 /nfs/dbraw/zinc/05/48/83/916054883.db2.gz RVQFVWFLTKFAAW-UHFFFAOYSA-N 1 0 403.313 4.016 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)cc1OC(F)F ZINC000507423161 916195539 /nfs/dbraw/zinc/19/55/39/916195539.db2.gz QVXSXYRBYNSKDY-SCLBCKFNSA-N 1 0 403.404 4.145 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 ZINC000507619707 916377341 /nfs/dbraw/zinc/37/73/41/916377341.db2.gz WNBCLRCRTUTPIB-MYIFBMMKSA-N 1 0 401.554 4.214 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cccc(NC(=O)Cn3cccn3)c2)CC1 ZINC000507660231 916421411 /nfs/dbraw/zinc/42/14/11/916421411.db2.gz MPEYLMDZLTUXPE-UHFFFAOYSA-N 1 0 413.525 4.016 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(Nc3ccc(F)cc3)CC1)CCC2 ZINC000507980005 916826955 /nfs/dbraw/zinc/82/69/55/916826955.db2.gz QAZUOELBDFPPJN-UHFFFAOYSA-N 1 0 412.534 4.153 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2ccc(OC)c(O)c2)cc1OCC ZINC000508049550 916876832 /nfs/dbraw/zinc/87/68/32/916876832.db2.gz YEHDEVWQJNDFKT-UHFFFAOYSA-N 1 0 422.319 4.417 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000508208641 917027387 /nfs/dbraw/zinc/02/73/87/917027387.db2.gz NZZIWJUAZWXDKS-DEOSSOPVSA-N 1 0 420.557 4.194 20 30 HIEDRO C=CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508460953 917245551 /nfs/dbraw/zinc/24/55/51/917245551.db2.gz HEAAMGHHNOEJAQ-HXUWFJFHSA-N 1 0 411.619 4.377 20 30 HIEDRO C=CCn1c(Cc2ccsc2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000508472829 917257182 /nfs/dbraw/zinc/25/71/82/917257182.db2.gz LHOFAZQJPDBTDI-UHFFFAOYSA-N 1 0 421.614 4.465 20 30 HIEDRO C=CCn1c(-c2cccnc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508476355 917260158 /nfs/dbraw/zinc/26/01/58/917260158.db2.gz CNVQXQIDEHSUHP-PKTZIBPZSA-N 1 0 414.557 4.017 20 30 HIEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000508480392 917265311 /nfs/dbraw/zinc/26/53/11/917265311.db2.gz GJUUTXRTXZJCRC-UHFFFAOYSA-N 1 0 402.546 4.134 20 30 HIEDRO C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508486841 917270564 /nfs/dbraw/zinc/27/05/64/917270564.db2.gz DFWPIMZQRYZKLM-SFHVURJKSA-N 1 0 405.468 4.215 20 30 HIEDRO C[S@@](=O)C[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1 ZINC000508652599 917417582 /nfs/dbraw/zinc/41/75/82/917417582.db2.gz ZZFQEVJJRRUAFV-PWUYWRBVSA-N 1 0 404.535 4.347 20 30 HIEDRO C[C@H]([NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508719643 917481360 /nfs/dbraw/zinc/48/13/60/917481360.db2.gz LGNJJGDOKKDGQC-OVAXGASASA-N 1 0 404.558 4.143 20 30 HIEDRO C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508746163 917503452 /nfs/dbraw/zinc/50/34/52/917503452.db2.gz JYBCYJYFVLVZQA-LEWJYISDSA-N 1 0 411.594 4.389 20 30 HIEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000508801668 917557419 /nfs/dbraw/zinc/55/74/19/917557419.db2.gz MPQHQPQGSDMOGS-JOCHJYFZSA-N 1 0 423.605 4.034 20 30 HIEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508819478 917573607 /nfs/dbraw/zinc/57/36/07/917573607.db2.gz YRQFOHLCMUIJDP-UHFFFAOYSA-N 1 0 404.562 4.078 20 30 HIEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000508823016 917576830 /nfs/dbraw/zinc/57/68/30/917576830.db2.gz APLZNLGOGCILIV-FQEVSTJZSA-N 1 0 409.578 4.232 20 30 HIEDRO C=CCn1c(N2CCC([NH+]3CCCCC3)CC2)nnc1C(F)(F)Oc1ccccc1 ZINC000508828720 917582471 /nfs/dbraw/zinc/58/24/71/917582471.db2.gz WLMLORHLMMBTAK-UHFFFAOYSA-N 1 0 417.504 4.047 20 30 HIEDRO C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508873376 917626961 /nfs/dbraw/zinc/62/69/61/917626961.db2.gz MRDKZEUNWNFMMW-WIYYLYMNSA-N 1 0 411.981 4.161 20 30 HIEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1)[NH+](C)C ZINC000508901991 917656569 /nfs/dbraw/zinc/65/65/69/917656569.db2.gz VNGSEWXQZNVALB-HCUBDLJJSA-N 1 0 404.558 4.468 20 30 HIEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000508904148 917658783 /nfs/dbraw/zinc/65/87/83/917658783.db2.gz RUDCUHPAAHFHCV-UHFFFAOYSA-N 1 0 418.589 4.341 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508911326 917668523 /nfs/dbraw/zinc/66/85/23/917668523.db2.gz AELXPCXZMMGMDX-MJGOQNOKSA-N 1 0 415.969 4.322 20 30 HIEDRO C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508917925 917675251 /nfs/dbraw/zinc/67/52/51/917675251.db2.gz LGYWGFHXNREPSZ-UHFFFAOYSA-N 1 0 419.495 4.462 20 30 HIEDRO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508938062 917694757 /nfs/dbraw/zinc/69/47/57/917694757.db2.gz GIBFTYJAUFRKLV-UHFFFAOYSA-N 1 0 403.933 4.378 20 30 HIEDRO C=CCn1c(-c2c[nH]c3ccccc32)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC000508937300 917694843 /nfs/dbraw/zinc/69/48/43/917694843.db2.gz WULRTNRLCUDHBD-UHFFFAOYSA-N 1 0 418.570 4.039 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508999330 917753658 /nfs/dbraw/zinc/75/36/58/917753658.db2.gz VVFDSJZOLAWEHG-QZTJIDSGSA-N 1 0 417.985 4.426 20 30 HIEDRO C[NH+]1CCC2(CCCN2C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000509694486 918324485 /nfs/dbraw/zinc/32/44/85/918324485.db2.gz BTDLDETWNVPMMN-UHFFFAOYSA-N 1 0 418.541 4.424 20 30 HIEDRO C[C@H]1C[C@@H](CCNC(=O)CSCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000510195813 918744508 /nfs/dbraw/zinc/74/45/08/918744508.db2.gz VRKYHIFCLJESQO-WMZHIEFXSA-N 1 0 407.583 4.208 20 30 HIEDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc(OC)c(OC)c1 ZINC000510252111 918787749 /nfs/dbraw/zinc/78/77/49/918787749.db2.gz DNZFFPQLMVDXDC-MGSYBHFQSA-N 1 0 401.551 4.064 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@@H](n3ncc4ccccc43)C1)CCCC2 ZINC000510418781 918886300 /nfs/dbraw/zinc/88/63/00/918886300.db2.gz ZLQSKKDJFRCINJ-QGZVFWFLSA-N 1 0 419.554 4.124 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000510703367 919141966 /nfs/dbraw/zinc/14/19/66/919141966.db2.gz RSFPFLSGDGIXOR-NRFANRHFSA-N 1 0 422.529 4.314 20 30 HIEDRO Cc1ccc(Cc2nc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cs2)cc1 ZINC000511047260 919638638 /nfs/dbraw/zinc/63/86/38/919638638.db2.gz XZGNSRGJJWJIRQ-UHFFFAOYSA-N 1 0 418.566 4.118 20 30 HIEDRO N#Cc1cccc(CNC(=O)C[N@H+](Cc2ccccc2C(F)(F)F)CC2CC2)c1 ZINC000511074419 919674881 /nfs/dbraw/zinc/67/48/81/919674881.db2.gz UOIOGLJAOGOVTA-UHFFFAOYSA-N 1 0 401.432 4.105 20 30 HIEDRO C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C1=CC[N@H+](C)CC1 ZINC000511254961 919857133 /nfs/dbraw/zinc/85/71/33/919857133.db2.gz SVDKQTIZCGYNTK-SFHVURJKSA-N 1 0 406.505 4.060 20 30 HIEDRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c1 ZINC000511277571 919874732 /nfs/dbraw/zinc/87/47/32/919874732.db2.gz RVGZTOCYNOANPK-UHFFFAOYSA-N 1 0 420.557 4.153 20 30 HIEDRO C[C@@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C[NH+]1CCCC1 ZINC000511355651 919950359 /nfs/dbraw/zinc/95/03/59/919950359.db2.gz RNFDIFIHAUPCCF-IBGZPJMESA-N 1 0 406.530 4.185 20 30 HIEDRO C[C@@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[N@@H+]1CCCC[C@H]1C ZINC000511471616 920080397 /nfs/dbraw/zinc/08/03/97/920080397.db2.gz BFUQQDVHAOWSLN-MSOLQXFVSA-N 1 0 419.529 4.195 20 30 HIEDRO C[C@@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000511471626 920080962 /nfs/dbraw/zinc/08/09/62/920080962.db2.gz BFUQQDVHAOWSLN-ROUUACIJSA-N 1 0 419.529 4.195 20 30 HIEDRO C[C@@](C#N)(CCc1ccccc1)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000511710618 920375073 /nfs/dbraw/zinc/37/50/73/920375073.db2.gz UROKOUMQAJXVDZ-GGAORHGYSA-N 1 0 411.496 4.175 20 30 HIEDRO N#Cc1cc(F)cc(C2(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)c1 ZINC000511761913 920444891 /nfs/dbraw/zinc/44/48/91/920444891.db2.gz JYQFLOGNZHRJJI-NOTZXAQLSA-N 1 0 403.501 4.041 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1Cl ZINC000511781453 920472222 /nfs/dbraw/zinc/47/22/22/920472222.db2.gz NZUFHPMXQPTYCC-KCZVDYSFSA-N 1 0 409.917 4.045 20 30 HIEDRO COc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c(Br)c1 ZINC000511987935 920756414 /nfs/dbraw/zinc/75/64/14/920756414.db2.gz HESGYBKQCUMEDO-UHFFFAOYSA-N 1 0 416.319 4.204 20 30 HIEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000512181394 920923390 /nfs/dbraw/zinc/92/33/90/920923390.db2.gz BLGRTUBNFOKGSB-IBGZPJMESA-N 1 0 404.510 4.319 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H](CCO)c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000512216984 920965111 /nfs/dbraw/zinc/96/51/11/920965111.db2.gz DCEJXOMDBSOESN-WOJBJXKFSA-N 1 0 418.324 4.074 20 30 HIEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccco1 ZINC000513490089 921842228 /nfs/dbraw/zinc/84/22/28/921842228.db2.gz LXSGNUNKLBETQQ-DNVCBOLYSA-N 1 0 423.542 4.449 20 30 HIEDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1 ZINC000513653720 921974265 /nfs/dbraw/zinc/97/42/65/921974265.db2.gz GXTUBRKQCRSQIK-UHFFFAOYSA-N 1 0 407.905 4.491 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)cc1 ZINC000513659302 921981021 /nfs/dbraw/zinc/98/10/21/921981021.db2.gz BHRIYFAPXYXVDH-RUZDIDTESA-N 1 0 410.521 4.497 20 30 HIEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000513723104 922042501 /nfs/dbraw/zinc/04/25/01/922042501.db2.gz CDRLLXPQMRGBGZ-UHFFFAOYSA-N 1 0 403.526 4.228 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]([NH+]3CCCCC3)C2)cc1OC ZINC000513733805 922054635 /nfs/dbraw/zinc/05/46/35/922054635.db2.gz WTDXLTHMYQPYNX-QGZVFWFLSA-N 1 0 409.368 4.083 20 30 HIEDRO CCC[N@@H+]1CC[C@H](CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000513866174 922194284 /nfs/dbraw/zinc/19/42/84/922194284.db2.gz ORLFAANAKULODN-JOCHJYFZSA-N 1 0 408.521 4.141 20 30 HIEDRO N#Cc1cnc(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c(Cl)c1 ZINC000513922469 922246252 /nfs/dbraw/zinc/24/62/52/922246252.db2.gz RGEBIAZYHPSATO-RBBKRZOGSA-N 1 0 416.912 4.005 20 30 HIEDRO CCC1(CNC(=O)N(C)Cc2cccc(C#N)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000514029450 922351926 /nfs/dbraw/zinc/35/19/26/922351926.db2.gz RDIRPNDYUVRMHR-UHFFFAOYSA-N 1 0 404.558 4.392 20 30 HIEDRO CC1CC[NH+](CCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000514222082 922557450 /nfs/dbraw/zinc/55/74/50/922557450.db2.gz LYDJSAGNJQVNQC-UHFFFAOYSA-N 1 0 408.521 4.141 20 30 HIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000514706309 922769198 /nfs/dbraw/zinc/76/91/98/922769198.db2.gz HLFKQZQXFBZURS-SWLSCSKDSA-N 1 0 419.157 4.291 20 30 HIEDRO CC1=CC[N@H+](CCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000515023419 922883252 /nfs/dbraw/zinc/88/32/52/922883252.db2.gz DKSDHNWNASOVDZ-UHFFFAOYSA-N 1 0 404.514 4.105 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1 ZINC000515375130 923070342 /nfs/dbraw/zinc/07/03/42/923070342.db2.gz YJKITHVOEWERAC-FQEVSTJZSA-N 1 0 405.527 4.030 20 30 HIEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000516543991 923789567 /nfs/dbraw/zinc/78/95/67/923789567.db2.gz PQMRWNSMLGXILA-IBGZPJMESA-N 1 0 405.542 4.406 20 30 HIEDRO CSC1(CNC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC[NH+](C)CC1 ZINC000516821990 923907066 /nfs/dbraw/zinc/90/70/66/923907066.db2.gz BERYBIWNBFLVAZ-UHFFFAOYSA-N 1 0 409.555 4.102 20 30 HIEDRO CCCN1C(=O)c2ccc(Cl)cc2NC12CC[NH+](Cc1ccc(C#N)cc1)CC2 ZINC000516825930 923908352 /nfs/dbraw/zinc/90/83/52/923908352.db2.gz PKMNQKODTMNMTE-UHFFFAOYSA-N 1 0 408.933 4.482 20 30 HIEDRO COc1cc([C@H](C)[NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)ccc1OC1CCCC1 ZINC000516989427 923954145 /nfs/dbraw/zinc/95/41/45/923954145.db2.gz DJQRTRDVLYHYRB-JTSKRJEESA-N 1 0 419.525 4.344 20 30 HIEDRO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3cccc(COc4ccccc4C#N)c3)n1)OC2 ZINC000517202670 924050499 /nfs/dbraw/zinc/05/04/99/924050499.db2.gz RORIYYZWEMHTDP-QPPBQGQZSA-N 1 0 416.481 4.113 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000517331978 924108586 /nfs/dbraw/zinc/10/85/86/924108586.db2.gz YCLZWBNKHUNIBM-JOCHJYFZSA-N 1 0 402.542 4.249 20 30 HIEDRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)c2ccc(C#N)s2)CC1 ZINC000517449810 924197908 /nfs/dbraw/zinc/19/79/08/924197908.db2.gz ZWQPUANNUDTNTM-UHFFFAOYSA-N 1 0 418.360 4.119 20 30 HIEDRO N#Cc1ccc(SCC(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)cc1 ZINC000517508495 924236998 /nfs/dbraw/zinc/23/69/98/924236998.db2.gz LXHLOWWMESIBPC-UHFFFAOYSA-N 1 0 422.554 4.104 20 30 HIEDRO C=CCOc1ccc(C[NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)cc1Cl ZINC000517550541 924260397 /nfs/dbraw/zinc/26/03/97/924260397.db2.gz AXVOKJQIVSLTKA-OAQYLSRUSA-N 1 0 404.913 4.207 20 30 HIEDRO C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000517761649 926825081 /nfs/dbraw/zinc/82/50/81/926825081.db2.gz NCWOKEYCDFGBRK-AQNXPRMDSA-N 1 0 403.615 4.083 20 30 HIEDRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000518351735 927215120 /nfs/dbraw/zinc/21/51/20/927215120.db2.gz OMFWRGIBCQGHFG-UHFFFAOYSA-N 1 0 409.530 4.457 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)CC1 ZINC000518496964 927308772 /nfs/dbraw/zinc/30/87/72/927308772.db2.gz OJCBENDKIKTFEP-UHFFFAOYSA-N 1 0 400.954 4.419 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(NC(=O)Nc3ccccc3)ccc2C)CC1 ZINC000518582411 927362648 /nfs/dbraw/zinc/36/26/48/927362648.db2.gz WNJXVTKCFBCSPK-UHFFFAOYSA-N 1 0 407.518 4.411 20 30 HIEDRO N#Cc1cccc(OCCCCC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1 ZINC000518915808 927624285 /nfs/dbraw/zinc/62/42/85/927624285.db2.gz URHLAJRABCNHBT-UHFFFAOYSA-N 1 0 409.505 4.027 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)c2ccc(C[NH+]3CCSCC3)cc2)cc1 ZINC000519455912 927961767 /nfs/dbraw/zinc/96/17/67/927961767.db2.gz UGUUGUCANDDNPE-UHFFFAOYSA-N 1 0 409.555 4.195 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000520053904 928278237 /nfs/dbraw/zinc/27/82/37/928278237.db2.gz GWEXFEKJQFXKES-QHCPKHFHSA-N 1 0 420.557 4.234 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+]C2CCN(C(=O)CCc3ccccc3)CC2)c1 ZINC000520204988 928388425 /nfs/dbraw/zinc/38/84/25/928388425.db2.gz OIWSGQBNMKQMQL-UHFFFAOYSA-N 1 0 405.542 4.083 20 30 HIEDRO N#Cc1c(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)sc2c1CCCC2 ZINC000520326001 928489326 /nfs/dbraw/zinc/48/93/26/928489326.db2.gz HAWZKUUTWDPGIA-UHFFFAOYSA-N 1 0 408.571 4.039 20 30 HIEDRO N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc2)nc1 ZINC000520357120 928517761 /nfs/dbraw/zinc/51/77/61/928517761.db2.gz XKMGUAGASPNXPL-NRFANRHFSA-N 1 0 418.541 4.474 20 30 HIEDRO N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000520366622 928522816 /nfs/dbraw/zinc/52/28/16/928522816.db2.gz WRYBOEZFJGQVBP-XPPIMPSXSA-N 1 0 403.526 4.029 20 30 HIEDRO N#Cc1ccc(CSc2ccccc2C(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000520374379 928529741 /nfs/dbraw/zinc/52/97/41/928529741.db2.gz KFVAPODRVOPZQE-UHFFFAOYSA-N 1 0 405.567 4.455 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000520683267 928731204 /nfs/dbraw/zinc/73/12/04/928731204.db2.gz FIPRRGKPNNLINB-UHFFFAOYSA-N 1 0 419.978 4.075 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(OCc3ccccn3)c2)CC1 ZINC000520691669 928738590 /nfs/dbraw/zinc/73/85/90/928738590.db2.gz ACIJPNBBPGMERE-IBGZPJMESA-N 1 0 408.546 4.061 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)c1 ZINC000520945909 928884755 /nfs/dbraw/zinc/88/47/55/928884755.db2.gz ZGCQLPDAGSYKSG-UHFFFAOYSA-N 1 0 400.482 4.306 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000521121189 929007449 /nfs/dbraw/zinc/00/74/49/929007449.db2.gz BUPGIJXZENDWIL-QFIPXVFZSA-N 1 0 408.502 4.130 20 30 HIEDRO CC(C)[N@H+](CC(=O)N[C@@H](C)c1ccc(Br)cc1)Cc1ccc(C#N)cc1 ZINC000521196425 929056493 /nfs/dbraw/zinc/05/64/93/929056493.db2.gz GMPVJYTXBZMDMQ-INIZCTEOSA-N 1 0 414.347 4.409 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2ccc(OCc3ccccc3)cc2)CC1 ZINC000521584053 929311155 /nfs/dbraw/zinc/31/11/55/929311155.db2.gz DXLGIIRLZIMJLB-UHFFFAOYSA-N 1 0 407.558 4.148 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000521652026 929346802 /nfs/dbraw/zinc/34/68/02/929346802.db2.gz DFDKBOJBAIBYOM-UHFFFAOYSA-N 1 0 419.550 4.484 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2C(=O)N3Cc2cccnc2)cc1 ZINC000521801382 929461913 /nfs/dbraw/zinc/46/19/13/929461913.db2.gz ZYRSZTPYRUROPY-UHFFFAOYSA-N 1 0 423.520 4.013 20 30 HIEDRO C[NH+]1CCC(C#N)(NC(=O)CC2(Cc3nc4ccccc4s3)CCCCC2)CC1 ZINC000524686246 929797510 /nfs/dbraw/zinc/79/75/10/929797510.db2.gz GTKWUNOFODLIJS-UHFFFAOYSA-N 1 0 410.587 4.284 20 30 HIEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000524891640 929876037 /nfs/dbraw/zinc/87/60/37/929876037.db2.gz AJPSUFJWSMHLHO-UHFFFAOYSA-N 1 0 419.550 4.074 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)ccc1OC ZINC000524947049 929908137 /nfs/dbraw/zinc/90/81/37/929908137.db2.gz LEKXNVWLFSZXGH-CPJSRVTESA-N 1 0 410.558 4.029 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000525761345 930435211 /nfs/dbraw/zinc/43/52/11/930435211.db2.gz YCRSRQHHNUIITI-HOTGVXAUSA-N 1 0 417.456 4.283 20 30 HIEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(OC)c(OCCCC#N)c3)ccc2NC1=O ZINC000525802571 930449407 /nfs/dbraw/zinc/44/94/07/930449407.db2.gz WEEPWQGUSMZTKM-OXQOHEQNSA-N 1 0 423.513 4.338 20 30 HIEDRO C[C@H](Cc1cccs1)[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(Cl)cc1 ZINC000526135722 930541619 /nfs/dbraw/zinc/54/16/19/930541619.db2.gz GSZDCGQMPMTPLX-MRXNPFEDSA-N 1 0 401.963 4.397 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 ZINC000527306597 930631046 /nfs/dbraw/zinc/63/10/46/930631046.db2.gz UBJBVHYTAXUFRW-UHFFFAOYSA-N 1 0 421.261 4.167 20 30 HIEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C#N)c2cccc(Cl)c2Cl)CC1 ZINC000531443189 931058696 /nfs/dbraw/zinc/05/86/96/931058696.db2.gz GHDBVKICCSIJOT-KRWDZBQOSA-N 1 0 403.313 4.294 20 30 HIEDRO COc1ccc([C@H]([NH2+]CCCC(C)(C)C#N)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000531648523 931139390 /nfs/dbraw/zinc/13/93/90/931139390.db2.gz IISNQAWVMUCGNS-NRFANRHFSA-N 1 0 400.544 4.108 20 30 HIEDRO COc1cccc(C[C@H]2CCC[N@@H+]2CC(=O)c2cn(CCC#N)c3ccccc23)c1 ZINC000532492830 931460050 /nfs/dbraw/zinc/46/00/50/931460050.db2.gz MMPXWYSVBDOJPP-HXUWFJFHSA-N 1 0 401.510 4.453 20 30 HIEDRO Cc1ccc(C2=NN(C(=O)CN(C)Cc3ccc(C#N)cc3)[C@@H](c3ccco3)C2)cc1 ZINC000532751582 931622446 /nfs/dbraw/zinc/62/24/46/931622446.db2.gz JEZWMPJQQDGLLT-HSZRJFAPSA-N 1 0 412.493 4.269 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000532938709 931704527 /nfs/dbraw/zinc/70/45/27/931704527.db2.gz BXSWTCQAZQXXNE-RTWAWAEBSA-N 1 0 403.636 4.095 20 30 HIEDRO CC(C)[N@@H+](C)CC1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000532951112 931708265 /nfs/dbraw/zinc/70/82/65/931708265.db2.gz SYKAHFSDHPCQBB-GOSISDBHSA-N 1 0 402.608 4.072 20 30 HIEDRO C=C(C)CN(CC)C(=O)C[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000533072788 931763895 /nfs/dbraw/zinc/76/38/95/931763895.db2.gz KTBIVOVUEAVJPH-UHFFFAOYSA-N 1 0 412.361 4.069 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000533375452 931852547 /nfs/dbraw/zinc/85/25/47/931852547.db2.gz ZHICNSFZXZLGIM-VQTJNVASSA-N 1 0 402.583 4.146 20 30 HIEDRO C[N@@H+]1CC[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@H]1c1ccccc1 ZINC000534754269 932731690 /nfs/dbraw/zinc/73/16/90/932731690.db2.gz DJKDIOGVYFPIGO-LOSJGSFVSA-N 1 0 411.505 4.312 20 30 HIEDRO COc1ccc(C[C@@H](C)C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000534905718 932832598 /nfs/dbraw/zinc/83/25/98/932832598.db2.gz ZINHXKQXZAILNY-MRXNPFEDSA-N 1 0 411.571 4.256 20 30 HIEDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1F ZINC000534966197 932865593 /nfs/dbraw/zinc/86/55/93/932865593.db2.gz ICFZOFMQJBTFCV-UHFFFAOYSA-N 1 0 424.398 4.022 20 30 HIEDRO C[C@@H]([NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000537293653 933700844 /nfs/dbraw/zinc/70/08/44/933700844.db2.gz ZHEZWSOOKKKGQX-CQSZACIVSA-N 1 0 421.360 4.224 20 30 HIEDRO C[C@H]([NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000537293652 933701261 /nfs/dbraw/zinc/70/12/61/933701261.db2.gz ZHEZWSOOKKKGQX-AWEZNQCLSA-N 1 0 421.360 4.224 20 30 HIEDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000537307290 933707491 /nfs/dbraw/zinc/70/74/91/933707491.db2.gz XRNOCEGWDXAJKI-AREMUKBSSA-N 1 0 413.569 4.367 20 30 HIEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000562906658 945148602 /nfs/dbraw/zinc/14/86/02/945148602.db2.gz WLWGPFRRVSCMNQ-UHFFFAOYSA-N 1 0 412.541 4.104 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1 ZINC000537635678 938342505 /nfs/dbraw/zinc/34/25/05/938342505.db2.gz JUBXZXJOXOVYOR-UHFFFAOYSA-N 1 0 417.553 4.362 20 30 HIEDRO C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000538128426 938513261 /nfs/dbraw/zinc/51/32/61/938513261.db2.gz COTAOJBQCGBXIN-GOSISDBHSA-N 1 0 412.493 4.490 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc(-n2cccn2)c1 ZINC000538186188 938543337 /nfs/dbraw/zinc/54/33/37/938543337.db2.gz CRNMEVAZWWRHSS-QZTJIDSGSA-N 1 0 419.554 4.413 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)ccc1Cl ZINC000538188334 938544561 /nfs/dbraw/zinc/54/45/61/938544561.db2.gz SIHPTXNFLHNIAP-SFHVURJKSA-N 1 0 421.932 4.432 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000538206402 938554107 /nfs/dbraw/zinc/55/41/07/938554107.db2.gz KDSVGVJFJPAJDI-IBGZPJMESA-N 1 0 420.513 4.309 20 30 HIEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1 ZINC000538209236 938556486 /nfs/dbraw/zinc/55/64/86/938556486.db2.gz YPUKMSHSYKSFGD-QHCPKHFHSA-N 1 0 405.448 4.026 20 30 HIEDRO Cc1ccccc1CN1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000538398757 938611202 /nfs/dbraw/zinc/61/12/02/938611202.db2.gz SSHJXTSUWSCXFJ-UHFFFAOYSA-N 1 0 402.586 4.085 20 30 HIEDRO N#CCCn1cc(C[NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)c(-c2ccccc2)n1 ZINC000538501140 938636674 /nfs/dbraw/zinc/63/66/74/938636674.db2.gz SIZSCYWBTYJKBM-IBGZPJMESA-N 1 0 419.916 4.012 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H](CC(N)=O)c3cccc(Cl)c3)c2)c1 ZINC000538534345 938643311 /nfs/dbraw/zinc/64/33/11/938643311.db2.gz SMLRRJMQNIYJMF-HSZRJFAPSA-N 1 0 419.912 4.497 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000563469873 945192719 /nfs/dbraw/zinc/19/27/19/945192719.db2.gz AYKNHTGWSGCZQU-UHFFFAOYSA-N 1 0 403.526 4.349 20 30 HIEDRO C=CC[N@@H+](Cc1ccc(OC(C)C)c(OC)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538731706 938695194 /nfs/dbraw/zinc/69/51/94/938695194.db2.gz HHODLHRUNGWQOX-SFHVURJKSA-N 1 0 407.518 4.207 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)cc1OCC ZINC000538751807 938701970 /nfs/dbraw/zinc/70/19/70/938701970.db2.gz OUGLWVFAUMJPLU-IRXDYDNUSA-N 1 0 410.352 4.271 20 30 HIEDRO COc1cccc(NC(=O)C[C@H](C)[NH2+]C2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000539078392 938796902 /nfs/dbraw/zinc/79/69/02/938796902.db2.gz HMORLDJWCANJBT-OCDPCBSRSA-N 1 0 407.514 4.264 20 30 HIEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000539214716 938819946 /nfs/dbraw/zinc/81/99/46/938819946.db2.gz VMQXQOVTSHDQGQ-KRWDZBQOSA-N 1 0 405.523 4.448 20 30 HIEDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)cc1 ZINC000539234981 938823052 /nfs/dbraw/zinc/82/30/52/938823052.db2.gz YCJNKHKRMAJMRF-UYAOXDASSA-N 1 0 420.557 4.015 20 30 HIEDRO Cc1sc(NC(=O)C[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)c(C#N)c1C ZINC000539263599 938829460 /nfs/dbraw/zinc/82/94/60/938829460.db2.gz RBOPFRLDJURWKW-GFCCVEGCSA-N 1 0 411.449 4.467 20 30 HIEDRO CC(C)(C#N)c1ccc(NC(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC000539301498 938836995 /nfs/dbraw/zinc/83/69/95/938836995.db2.gz SKWIZUWAEHJXMC-UHFFFAOYSA-N 1 0 420.557 4.327 20 30 HIEDRO Cc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(OC[C@H]2CCOC2)c1 ZINC000539496177 938868482 /nfs/dbraw/zinc/86/84/82/938868482.db2.gz LJZWXVWIAVWCMQ-QHCPKHFHSA-N 1 0 419.569 4.036 20 30 HIEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000539498404 938868807 /nfs/dbraw/zinc/86/88/07/938868807.db2.gz OIZXBCGEAUUZHE-LJQANCHMSA-N 1 0 402.542 4.000 20 30 HIEDRO NC(=O)[C@@H](C[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Cc1ccc(F)cc1 ZINC000539633335 938891202 /nfs/dbraw/zinc/89/12/02/938891202.db2.gz DOOZZZYCSPBFSL-CYBMUJFWSA-N 1 0 422.344 4.297 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CC[C@H](C[NH+](CC)CC)C2)cc1OC ZINC000539850962 938957678 /nfs/dbraw/zinc/95/76/78/938957678.db2.gz JLTRLGUATUBJAE-MRXNPFEDSA-N 1 0 411.384 4.186 20 30 HIEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)c(C#N)c1C ZINC000540352423 939204251 /nfs/dbraw/zinc/20/42/51/939204251.db2.gz SNTGNQGFHRHBAH-INIZCTEOSA-N 1 0 420.538 4.500 20 30 HIEDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)ccc1OC(C)C ZINC000540354466 939206080 /nfs/dbraw/zinc/20/60/80/939206080.db2.gz MJKKOSAXXVSBNK-CQSZACIVSA-N 1 0 401.894 4.297 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(OCC(F)(F)F)cc1 ZINC000540362921 939210749 /nfs/dbraw/zinc/21/07/49/939210749.db2.gz KSBYGTRXXUPKET-MRXNPFEDSA-N 1 0 405.420 4.225 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+]C(C)(C)c2cccc(C)c2)c1C#N ZINC000540415312 939240132 /nfs/dbraw/zinc/24/01/32/939240132.db2.gz NPCPRZQEJRGAOI-UHFFFAOYSA-N 1 0 404.514 4.390 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c(C#N)c1C ZINC000540467390 939264856 /nfs/dbraw/zinc/26/48/56/939264856.db2.gz IWRNBJDCAWBXKP-KGLIPLIRSA-N 1 0 409.465 4.079 20 30 HIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c(C#N)c1C ZINC000540467393 939264979 /nfs/dbraw/zinc/26/49/79/939264979.db2.gz IWRNBJDCAWBXKP-ZIAGYGMSSA-N 1 0 409.465 4.079 20 30 HIEDRO CC[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)N1CCc2ccccc2C1 ZINC000540510801 939282498 /nfs/dbraw/zinc/28/24/98/939282498.db2.gz JKKVDEANXDJFIQ-RUZDIDTESA-N 1 0 413.569 4.390 20 30 HIEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000540541968 939298327 /nfs/dbraw/zinc/29/83/27/939298327.db2.gz FUPPCQITUVJERM-UHFFFAOYSA-N 1 0 424.570 4.017 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(OCc4ccccn4)cc3)CC2)cc1 ZINC000540597317 939315417 /nfs/dbraw/zinc/31/54/17/939315417.db2.gz LZGDTXVNVBGFMJ-UHFFFAOYSA-N 1 0 412.537 4.286 20 30 HIEDRO CN1C(=O)C[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000540628448 939323415 /nfs/dbraw/zinc/32/34/15/939323415.db2.gz PSDGKJNUHZQNEW-MVRNRQBSSA-N 1 0 409.480 4.230 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000541104118 939461485 /nfs/dbraw/zinc/46/14/85/939461485.db2.gz XFYWYCXYYDQSBL-MJGOQNOKSA-N 1 0 424.524 4.001 20 30 HIEDRO Cc1cccc(NC(=O)C[C@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1C ZINC000541216193 939486133 /nfs/dbraw/zinc/48/61/33/939486133.db2.gz FEWREDFKQLRCNI-RPCJCACASA-N 1 0 406.530 4.267 20 30 HIEDRO COc1ccccc1[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[NH+]1CCCC1 ZINC000541451694 939519843 /nfs/dbraw/zinc/51/98/43/939519843.db2.gz YQOJSXFUBKRTIW-QHCPKHFHSA-N 1 0 418.541 4.078 20 30 HIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@H](c2cccnc2)C2CC2)c1C#N ZINC000541590717 939561742 /nfs/dbraw/zinc/56/17/42/939561742.db2.gz LDYSTJWNWGOYOJ-XMMPIXPASA-N 1 0 413.525 4.099 20 30 HIEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)s2)cc1 ZINC000541640180 939582372 /nfs/dbraw/zinc/58/23/72/939582372.db2.gz NFZCCLDEUDAHQQ-PGKMIFDNSA-N 1 0 414.575 4.221 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)NCCc1ccc(F)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542011995 939684263 /nfs/dbraw/zinc/68/42/63/939684263.db2.gz KNVYFAQDDMITMN-GOSISDBHSA-N 1 0 401.485 4.374 20 30 HIEDRO CC(=O)Nc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 ZINC000542013740 939685018 /nfs/dbraw/zinc/68/50/18/939685018.db2.gz XLOFNEMNIUIKDH-QGZVFWFLSA-N 1 0 412.493 4.473 20 30 HIEDRO Cc1ccnc(OC2CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)c1 ZINC000542185113 939748303 /nfs/dbraw/zinc/74/83/03/939748303.db2.gz MKRHXRQGOTZKRM-UHFFFAOYSA-N 1 0 401.514 4.211 20 30 HIEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542257674 939774424 /nfs/dbraw/zinc/77/44/24/939774424.db2.gz RYTSAVNYYSUQCF-VGOFRKELSA-N 1 0 417.465 4.224 20 30 HIEDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000542526754 939837408 /nfs/dbraw/zinc/83/74/08/939837408.db2.gz PSKNXIKNRWPXSE-NRFANRHFSA-N 1 0 410.564 4.276 20 30 HIEDRO CC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1c(C)nn(C)c1C ZINC000542528451 939837714 /nfs/dbraw/zinc/83/77/14/939837714.db2.gz SBWVSPVQEREIII-GOSISDBHSA-N 1 0 413.591 4.309 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)CN[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccc1Cl ZINC000542529688 939837971 /nfs/dbraw/zinc/83/79/71/939837971.db2.gz PCDCPUCGJSYAHB-OALUTQOASA-N 1 0 416.997 4.138 20 30 HIEDRO COc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542941636 939882639 /nfs/dbraw/zinc/88/26/39/939882639.db2.gz CCLRMBDKHVMVGY-LJQANCHMSA-N 1 0 413.521 4.243 20 30 HIEDRO CC[NH+](CC)CCCC1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000542942725 939882954 /nfs/dbraw/zinc/88/29/54/939882954.db2.gz WEGCLZOFAGMJDE-QGZVFWFLSA-N 1 0 416.635 4.269 20 30 HIEDRO Cc1ccc(C2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)cn1 ZINC000543061869 939916049 /nfs/dbraw/zinc/91/60/49/939916049.db2.gz NHIGNGHGOZTTMQ-UHFFFAOYSA-N 1 0 408.571 4.410 20 30 HIEDRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000543074158 939926395 /nfs/dbraw/zinc/92/63/95/939926395.db2.gz MBCDAALDPNKOHF-HTAPYJJXSA-N 1 0 404.514 4.387 20 30 HIEDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)Nc3cccc(C#N)c3)s2)cc1 ZINC000543503708 940088370 /nfs/dbraw/zinc/08/83/70/940088370.db2.gz XYESDTIPOLSALF-CQSZACIVSA-N 1 0 406.511 4.288 20 30 HIEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000543516817 940092826 /nfs/dbraw/zinc/09/28/26/940092826.db2.gz BZWKJMCAMSKJNC-CQSZACIVSA-N 1 0 415.950 4.078 20 30 HIEDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000543516581 940093015 /nfs/dbraw/zinc/09/30/15/940093015.db2.gz JFZZBLNQOKPSLD-OAHLLOKOSA-N 1 0 411.552 4.115 20 30 HIEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000543608362 940129480 /nfs/dbraw/zinc/12/94/80/940129480.db2.gz GKQANXPRUYOMFK-HOTGVXAUSA-N 1 0 412.921 4.347 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3cc(F)ccc3OC[C@H]3CCCO3)CC2)cc1 ZINC000543759475 940176684 /nfs/dbraw/zinc/17/66/84/940176684.db2.gz BMWNQRHZEYTCHL-JOCHJYFZSA-N 1 0 409.505 4.332 20 30 HIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000563783195 945301041 /nfs/dbraw/zinc/30/10/41/945301041.db2.gz UVEOHKIIJVUSBA-DEOSSOPVSA-N 1 0 417.534 4.040 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000543861592 940214266 /nfs/dbraw/zinc/21/42/66/940214266.db2.gz SIPKSTLEJMHIAF-IAGOWNOFSA-N 1 0 412.493 4.002 20 30 HIEDRO N#Cc1ccc(CN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C2CC2)cc1 ZINC000544277842 940377258 /nfs/dbraw/zinc/37/72/58/940377258.db2.gz ODODDUWFJMGBMB-UHFFFAOYSA-N 1 0 420.582 4.346 20 30 HIEDRO C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000563890817 945319492 /nfs/dbraw/zinc/31/94/92/945319492.db2.gz KZBBFFHZMNAFOV-IBGZPJMESA-N 1 0 423.605 4.118 20 30 HIEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000544462525 940441726 /nfs/dbraw/zinc/44/17/26/940441726.db2.gz ZAPNOLGEFCIYPH-GJZGRUSLSA-N 1 0 410.461 4.133 20 30 HIEDRO Cc1cc(-c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)nn1-c1cccc(C#N)c1 ZINC000544639330 940496454 /nfs/dbraw/zinc/49/64/54/940496454.db2.gz FQDWWALYXLPIOA-UHFFFAOYSA-N 1 0 410.481 4.365 20 30 HIEDRO COc1ccc(C[C@H](C)C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1F ZINC000545015259 940533737 /nfs/dbraw/zinc/53/37/37/940533737.db2.gz ONZMAIQFXRETDQ-KRWDZBQOSA-N 1 0 409.505 4.235 20 30 HIEDRO C[N@@H+]1CCCN(c2ccc(-c3noc(-c4cccc(CC#N)c4)n3)cc2Cl)CC1 ZINC000546485302 940832965 /nfs/dbraw/zinc/83/29/65/940832965.db2.gz MCCGZCFHMPVATK-UHFFFAOYSA-N 1 0 407.905 4.265 20 30 HIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+]C(C)(C)c2ccc(C)nc2)c1C#N ZINC000546810295 940886245 /nfs/dbraw/zinc/88/62/45/940886245.db2.gz ADMUNHMOLDNYTF-UHFFFAOYSA-N 1 0 415.541 4.192 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)C(=O)C1(c2ccccc2)CC1 ZINC000564049014 945362347 /nfs/dbraw/zinc/36/23/47/945362347.db2.gz FBPMRLYBJPHEEY-LJQANCHMSA-N 1 0 424.614 4.274 20 30 HIEDRO COC(=O)CC1([NH2+]Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CCCC1 ZINC000548098628 941086646 /nfs/dbraw/zinc/08/66/46/941086646.db2.gz NBSAEBZYQIGBGC-UHFFFAOYSA-N 1 0 408.498 4.111 20 30 HIEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000548927574 941129858 /nfs/dbraw/zinc/12/98/58/941129858.db2.gz JBIFBJWGBXTEHP-QYEXWFEISA-N 1 0 411.509 4.093 20 30 HIEDRO C=CCCOCCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000548978880 941138145 /nfs/dbraw/zinc/13/81/45/941138145.db2.gz HEOAIAPBYZMCGH-KRIYCRJKSA-N 1 0 405.970 4.146 20 30 HIEDRO CCN1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549110851 941160737 /nfs/dbraw/zinc/16/07/37/941160737.db2.gz JPXMSDYBGBEBBQ-IFMALSPDSA-N 1 0 414.912 4.104 20 30 HIEDRO Cc1sc(NC(=O)CN[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(C#N)c1C ZINC000549164187 941167549 /nfs/dbraw/zinc/16/75/49/941167549.db2.gz FHBLHSHYZHITJR-FQEVSTJZSA-N 1 0 410.587 4.065 20 30 HIEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)c1C#N ZINC000549173494 941168420 /nfs/dbraw/zinc/16/84/20/941168420.db2.gz MNEAQZWJDRNXPP-MRXNPFEDSA-N 1 0 415.472 4.266 20 30 HIEDRO CC[NH+](CC)CCOC1CCN(c2c(C#N)cnc3c(Cl)cc(C)cc32)CC1 ZINC000549262086 941174942 /nfs/dbraw/zinc/17/49/42/941174942.db2.gz YAMSRYFVJXRTHG-UHFFFAOYSA-N 1 0 400.954 4.396 20 30 HIEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000549291596 941177501 /nfs/dbraw/zinc/17/75/01/941177501.db2.gz HKISSBVEQFXGQV-HXUWFJFHSA-N 1 0 406.578 4.025 20 30 HIEDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000549528037 941198113 /nfs/dbraw/zinc/19/81/13/941198113.db2.gz PQYRQGFJSQLSTO-YDGZCJQPSA-N 1 0 413.587 4.153 20 30 HIEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000549667475 941203694 /nfs/dbraw/zinc/20/36/94/941203694.db2.gz ANLJNPWHJXVWFJ-UHFFFAOYSA-N 1 0 411.594 4.129 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000549680954 941204309 /nfs/dbraw/zinc/20/43/09/941204309.db2.gz KWZWRXPUIUSMPJ-PWRODBHTSA-N 1 0 401.599 4.044 20 30 HIEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000549698583 941205039 /nfs/dbraw/zinc/20/50/39/941205039.db2.gz IQBAECBQYGMVBP-LJQANCHMSA-N 1 0 404.562 4.238 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cc(Br)ccc3F)CC2)cc1 ZINC000549866514 941220342 /nfs/dbraw/zinc/22/03/42/941220342.db2.gz OJIAFFKADHGLOM-UHFFFAOYSA-N 1 0 402.311 4.214 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000549884814 941227367 /nfs/dbraw/zinc/22/73/67/941227367.db2.gz UOUNOBFGHLIVLG-SFHVURJKSA-N 1 0 416.562 4.172 20 30 HIEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 ZINC000550651876 941350377 /nfs/dbraw/zinc/35/03/77/941350377.db2.gz SXJXUWJKQIPPLY-UHFFFAOYSA-N 1 0 407.562 4.491 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)CC)cc2)ccc1OC ZINC000551226863 941431434 /nfs/dbraw/zinc/43/14/34/941431434.db2.gz BCQAVIAWDWUJNA-KRWDZBQOSA-N 1 0 403.544 4.295 20 30 HIEDRO N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(C[N@H+]4CC[C@H](O)C4)c3)c2)cc1 ZINC000552199505 941600245 /nfs/dbraw/zinc/60/02/45/941600245.db2.gz ZZMRVLXYTFNZLR-QFIPXVFZSA-N 1 0 413.477 4.169 20 30 HIEDRO N#Cc1ccc(Oc2cccc(C(=O)Nc3cccc(C[N@H+]4CC[C@@H](O)C4)c3)c2)cc1 ZINC000552199504 941600684 /nfs/dbraw/zinc/60/06/84/941600684.db2.gz ZZMRVLXYTFNZLR-JOCHJYFZSA-N 1 0 413.477 4.169 20 30 HIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000552268119 941618215 /nfs/dbraw/zinc/61/82/15/941618215.db2.gz AHGNLIPYSQROQE-FPVCRCAZSA-N 1 0 405.542 4.263 20 30 HIEDRO N#Cc1cccc(CC(=O)N(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000552851234 941788249 /nfs/dbraw/zinc/78/82/49/941788249.db2.gz PMJMHGUFWRXOTJ-AREMUKBSSA-N 1 0 424.548 4.189 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+]C2(c3ccc(Cl)cc3)CC2)c1C#N ZINC000553003093 941814437 /nfs/dbraw/zinc/81/44/37/941814437.db2.gz ZIJIRAIPSNUAPH-UHFFFAOYSA-N 1 0 422.916 4.489 20 30 HIEDRO N#Cc1ccccc1-c1ccc(C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)cc1 ZINC000553483238 941892860 /nfs/dbraw/zinc/89/28/60/941892860.db2.gz LIAKGBGQJVINBU-UHFFFAOYSA-N 1 0 407.521 4.191 20 30 HIEDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H](C)C1 ZINC000553767862 941963204 /nfs/dbraw/zinc/96/32/04/941963204.db2.gz LLUZFIVUHWCBOF-JXQFQVJHSA-N 1 0 403.526 4.347 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000553943002 942004194 /nfs/dbraw/zinc/00/41/94/942004194.db2.gz ILFAVHLDVGOOBL-YJBOKZPZSA-N 1 0 417.962 4.244 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)c1C ZINC000553951669 942005297 /nfs/dbraw/zinc/00/52/97/942005297.db2.gz NLYNTTLBSYMRHZ-SFTDATJTSA-N 1 0 407.558 4.037 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000554177690 942058993 /nfs/dbraw/zinc/05/89/93/942058993.db2.gz VXQBJPNERXPHFN-CVDCTZTESA-N 1 0 420.557 4.314 20 30 HIEDRO C[C@@](CO)(NCc1ccc(Br)cc1C#N)c1ccc(Br)cc1 ZINC000554255838 942081315 /nfs/dbraw/zinc/08/13/15/942081315.db2.gz DQQQLNJDJHNVSU-KRWDZBQOSA-N 1 0 424.136 4.081 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000554294568 942094105 /nfs/dbraw/zinc/09/41/05/942094105.db2.gz MCHOXVWDXGNMQL-SJORKVTESA-N 1 0 402.560 4.328 20 30 HIEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccco1 ZINC000554445339 942146010 /nfs/dbraw/zinc/14/60/10/942146010.db2.gz IKYWDEKNYKUHMV-AVRDEDQJSA-N 1 0 402.498 4.325 20 30 HIEDRO C[NH+](C)CCn1nccc1NC(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC000554631508 942179762 /nfs/dbraw/zinc/17/97/62/942179762.db2.gz DWPSOIUCGAXKLO-UHFFFAOYSA-N 1 0 409.877 4.014 20 30 HIEDRO COc1cc(C[NH2+][C@@H](CO)c2ccc(F)cc2)ccc1OCc1cccc(C#N)c1 ZINC000554637122 942182848 /nfs/dbraw/zinc/18/28/48/942182848.db2.gz ZMFMAIYSQUYTBN-QFIPXVFZSA-N 1 0 406.457 4.108 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC[C@@H](C(F)(F)F)C3(CCC3)C1)CCC2 ZINC000554847811 942284616 /nfs/dbraw/zinc/28/46/16/942284616.db2.gz FUXRWQHYCFTDMK-MRXNPFEDSA-N 1 0 411.493 4.492 20 30 HIEDRO CC(C)OC(=O)C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000554879610 942306032 /nfs/dbraw/zinc/30/60/32/942306032.db2.gz XDJACBIUFTWZCB-XMMPIXPASA-N 1 0 405.542 4.195 20 30 HIEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000554931233 942323864 /nfs/dbraw/zinc/32/38/64/942323864.db2.gz ZTFJOODYSPROFY-HXUWFJFHSA-N 1 0 412.541 4.104 20 30 HIEDRO CCN1CC[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000555126012 942393008 /nfs/dbraw/zinc/39/30/08/942393008.db2.gz PNLKSMJHPPWRGA-UKRRQHHQSA-N 1 0 420.344 4.043 20 30 HIEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000555263752 942452441 /nfs/dbraw/zinc/45/24/41/942452441.db2.gz JAEHKIWAZGJHKX-UHFFFAOYSA-N 1 0 413.541 4.027 20 30 HIEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000555264793 942453238 /nfs/dbraw/zinc/45/32/38/942453238.db2.gz CZHNDXVPWLCHAW-IBGZPJMESA-N 1 0 404.562 4.238 20 30 HIEDRO N#Cc1ccc(Br)c(C[NH2+]C2(Cc3cccc(F)c3)CCOCC2)c1 ZINC000555618644 942672043 /nfs/dbraw/zinc/67/20/43/942672043.db2.gz LIRKJHLABAQXBO-UHFFFAOYSA-N 1 0 403.295 4.341 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000556104754 942805789 /nfs/dbraw/zinc/80/57/89/942805789.db2.gz KAILZSUGNCOZOT-UGKGYDQZSA-N 1 0 417.525 4.216 20 30 HIEDRO CN1CC[C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@@H]1c1ccccc1 ZINC000556124890 942807979 /nfs/dbraw/zinc/80/79/79/942807979.db2.gz KJPHQKJVKYJFEX-OFNKIYASSA-N 1 0 422.598 4.252 20 30 HIEDRO COc1ccc(Br)cc1C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000556209151 942819111 /nfs/dbraw/zinc/81/91/11/942819111.db2.gz ZDTPOZVSDQFQIQ-UHFFFAOYSA-N 1 0 400.320 4.088 20 30 HIEDRO N#Cc1cccc(C2([NH2+]CC(=O)Nc3cccc(CSc4ccccn4)c3)CC2)c1 ZINC000556510910 942888235 /nfs/dbraw/zinc/88/82/35/942888235.db2.gz BBPBIKTYRVDTAJ-UHFFFAOYSA-N 1 0 414.534 4.463 20 30 HIEDRO N#Cc1cc(F)cc(C2(C(=O)N3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)CC2)c1 ZINC000556896196 942956745 /nfs/dbraw/zinc/95/67/45/942956745.db2.gz VKSQWTVECCSGII-VWLOTQADSA-N 1 0 417.528 4.244 20 30 HIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000556896952 942956868 /nfs/dbraw/zinc/95/68/68/942956868.db2.gz IBSVLHDTLFHPJZ-DMTNHVFBSA-N 1 0 403.570 4.464 20 30 HIEDRO N#Cc1cccc(OC2CC[NH+](CCOc3ccc(Br)cc3)CC2)c1 ZINC000557019691 942995735 /nfs/dbraw/zinc/99/57/35/942995735.db2.gz LBUGWVMOHSCQIC-UHFFFAOYSA-N 1 0 401.304 4.243 20 30 HIEDRO N#C[C@H](CCc1ccccc1)C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000558301778 943493549 /nfs/dbraw/zinc/49/35/49/943493549.db2.gz ZUXVSWRRPPRQBR-DEOSSOPVSA-N 1 0 401.554 4.274 20 30 HIEDRO CCc1ccc([C@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[NH+](CC)CC)cc1 ZINC000558349546 943521773 /nfs/dbraw/zinc/52/17/73/943521773.db2.gz AGLOCVMOOHSZOL-ZEQRLZLVSA-N 1 0 402.542 4.002 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC4(CCC4)[C@@H]3[C@@H]3CCCO3)sc2C1 ZINC000558476060 943570392 /nfs/dbraw/zinc/57/03/92/943570392.db2.gz JHGPETGRMIYNJU-YWMUFLPLSA-N 1 0 413.587 4.107 20 30 HIEDRO CN(C)c1noc([C@H]2CCC[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)n1 ZINC000558742961 943637559 /nfs/dbraw/zinc/63/75/59/943637559.db2.gz QQCZWXQCOYKIKS-FQEVSTJZSA-N 1 0 415.541 4.215 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000558992588 943792182 /nfs/dbraw/zinc/79/21/82/943792182.db2.gz WMDQKEDPYDXBNR-OAQYLSRUSA-N 1 0 411.594 4.218 20 30 HIEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000559000718 943797534 /nfs/dbraw/zinc/79/75/34/943797534.db2.gz AXWROXMXBUCZEB-KNQAVFIVSA-N 1 0 409.553 4.037 20 30 HIEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000559003930 943799864 /nfs/dbraw/zinc/79/98/64/943799864.db2.gz JCWOINIKXRDCAB-GMAHTHKFSA-N 1 0 405.590 4.207 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000559056612 943817862 /nfs/dbraw/zinc/81/78/62/943817862.db2.gz UIHNIXFAKSGYBP-HNNXBMFYSA-N 1 0 416.447 4.276 20 30 HIEDRO N#Cc1ccc(Oc2ccccc2OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c(F)c1 ZINC000559302329 943893005 /nfs/dbraw/zinc/89/30/05/943893005.db2.gz GWARGXPWYCHGKS-NRFANRHFSA-N 1 0 418.468 4.288 20 30 HIEDRO Cc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c(OC[C@H]2CCOC2)c1 ZINC000560525906 944242928 /nfs/dbraw/zinc/24/29/28/944242928.db2.gz ATJFJOMAUCPGIJ-NRFANRHFSA-N 1 0 405.542 4.041 20 30 HIEDRO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1CCCCO1 ZINC000561011107 944395856 /nfs/dbraw/zinc/39/58/56/944395856.db2.gz FJOAEHJYTDYERT-QGZVFWFLSA-N 1 0 403.592 4.498 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccc(OC3CCCC3)cc2)c(-c2ccncc2)n1 ZINC000561288884 944541302 /nfs/dbraw/zinc/54/13/02/944541302.db2.gz JBBITEPUFJKAFY-UHFFFAOYSA-N 1 0 401.514 4.470 20 30 HIEDRO C=CCn1c(-c2cccnc2)nnc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000562031072 944903584 /nfs/dbraw/zinc/90/35/84/944903584.db2.gz DSBFWAHBCQFVMI-RUZDIDTESA-N 1 0 414.557 4.019 20 30 HIEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)[C@@H]1CCOC(C)(C)C1 ZINC000562050297 944911854 /nfs/dbraw/zinc/91/18/54/944911854.db2.gz YHUMQPBRVNZXSM-OAQYLSRUSA-N 1 0 422.573 4.243 20 30 HIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(S(=O)(=O)Nc3ccc(F)cc3)cc1)CC2 ZINC000562085866 944930369 /nfs/dbraw/zinc/93/03/69/944930369.db2.gz VUPVGJDPVZWOSF-HSZRJFAPSA-N 1 0 421.497 4.275 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000564762519 945753319 /nfs/dbraw/zinc/75/33/19/945753319.db2.gz YEHPLXCWFSRXPC-UHFFFAOYSA-N 1 0 408.889 4.348 20 30 HIEDRO C=C(C)Cn1c(-c2cccn2C)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000566981095 946198847 /nfs/dbraw/zinc/19/88/47/946198847.db2.gz SNLJZHCHUWERPW-UHFFFAOYSA-N 1 0 410.610 4.198 20 30 HIEDRO CC(C)Oc1ccc([C@@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)[NH+](C)C)cc1 ZINC000568314563 946502193 /nfs/dbraw/zinc/50/21/93/946502193.db2.gz DCBIVBIBQSKJEC-JOCHJYFZSA-N 1 0 418.497 4.033 20 30 HIEDRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)cc1 ZINC000568812554 946711075 /nfs/dbraw/zinc/71/10/75/946711075.db2.gz REQMPKALTXUEFK-IRLDBZIGSA-N 1 0 405.542 4.285 20 30 HIEDRO C[N@H+](CCCNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)Cc1ccccc1 ZINC000569055287 946812168 /nfs/dbraw/zinc/81/21/68/946812168.db2.gz DGELSRLBBUXWHP-UHFFFAOYSA-N 1 0 415.497 4.389 20 30 HIEDRO COc1ccc([C@@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)c2ccc(F)cc2)cc1 ZINC000569184722 946835170 /nfs/dbraw/zinc/83/51/70/946835170.db2.gz AIJBMBVUUZWEKF-DHLKQENFSA-N 1 0 420.484 4.019 20 30 HIEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccco1 ZINC000569402322 946868401 /nfs/dbraw/zinc/86/84/01/946868401.db2.gz UWQZMYMGRIKAEI-OXQOHEQNSA-N 1 0 407.470 4.182 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000569860324 947022778 /nfs/dbraw/zinc/02/27/78/947022778.db2.gz VAKXWMOOZUELQQ-YWZLYKJASA-N 1 0 417.600 4.430 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 ZINC000570671143 947325507 /nfs/dbraw/zinc/32/55/07/947325507.db2.gz UADDOJPLRYSJRS-PZJWPPBQSA-N 1 0 404.432 4.130 20 30 HIEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000570782914 947356506 /nfs/dbraw/zinc/35/65/06/947356506.db2.gz YRVYMFXCFKIKPO-UHFFFAOYSA-N 1 0 420.605 4.414 20 30 HIEDRO C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000571216689 947551923 /nfs/dbraw/zinc/55/19/23/947551923.db2.gz MQWVHJDYYIMOHZ-AWEZNQCLSA-N 1 0 417.431 4.085 20 30 HIEDRO O=C(CN[C@H](CO)c1ccc(F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000571554477 947698225 /nfs/dbraw/zinc/69/82/25/947698225.db2.gz WYRSLEOMDNEGNY-OAHLLOKOSA-N 1 0 424.316 4.125 20 30 HIEDRO N#CCCCOc1cccnc1NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000571570880 947706082 /nfs/dbraw/zinc/70/60/82/947706082.db2.gz DDMCQXUFOJNESS-NRFANRHFSA-N 1 0 421.545 4.188 20 30 HIEDRO COc1ccc([C@H](CCC#N)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000571752720 947775642 /nfs/dbraw/zinc/77/56/42/947775642.db2.gz PZOZFPQAPQXYQZ-IECBHUPTSA-N 1 0 421.541 4.079 20 30 HIEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000571898911 947807936 /nfs/dbraw/zinc/80/79/36/947807936.db2.gz UPYKEMRPOSXSCP-QFIPXVFZSA-N 1 0 402.546 4.017 20 30 HIEDRO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573142563 948087672 /nfs/dbraw/zinc/08/76/72/948087672.db2.gz ARYBCZSLWITYCQ-IEBWSBKVSA-N 1 0 409.839 4.487 20 30 HIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)CC2 ZINC000573143627 948088334 /nfs/dbraw/zinc/08/83/34/948088334.db2.gz UJTHASQZHUNKJZ-YADHBBJMSA-N 1 0 415.459 4.227 20 30 HIEDRO Cc1cc(NCc2ccncc2OCCC[NH+](C)C)n2c3ccccc3nc2c1C#N ZINC000573638156 948260552 /nfs/dbraw/zinc/26/05/52/948260552.db2.gz AYXIQVPDFVSSLH-UHFFFAOYSA-N 1 0 414.513 4.005 20 30 HIEDRO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3cccc(COc4cccc(C#N)c4)c3)n1)OC2 ZINC000575955018 948800847 /nfs/dbraw/zinc/80/08/47/948800847.db2.gz QXWWSHIVPQFDAT-ZJSXRUAMSA-N 1 0 416.481 4.113 20 30 HIEDRO O=C(CC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1)Nc1ccccc1 ZINC000328605068 569417861 /nfs/dbraw/zinc/41/78/61/569417861.db2.gz MFESCPJPIRVRHV-WZONZLPQSA-N 1 0 403.486 4.163 20 30 HIEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CCC4(CCCC[NH2+]4)CC3)c(Cl)nn2)c1 ZINC001164387235 718803672 /nfs/dbraw/zinc/80/36/72/718803672.db2.gz KCLXNPPEULXZIS-UHFFFAOYSA-N 1 0 417.891 4.326 20 30 HIEDRO N#Cc1cc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc(Cl)n1 ZINC001164629779 719076053 /nfs/dbraw/zinc/07/60/53/719076053.db2.gz YZQKCHIDSALNDA-QFBILLFUSA-N 1 0 402.876 4.252 20 30 HIEDRO N#Cc1cc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC001164627782 719080039 /nfs/dbraw/zinc/08/00/39/719080039.db2.gz QRDBBRAFOLNEFY-LPHOPBHVSA-N 1 0 402.876 4.252 20 30 HIEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164629903 719081144 /nfs/dbraw/zinc/08/11/44/719081144.db2.gz ZVNQEGFZFGKJBN-QZTJIDSGSA-N 1 0 402.876 4.252 20 30 HIEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164725337 720490048 /nfs/dbraw/zinc/49/00/48/720490048.db2.gz JUHUNRYJKBQUOB-WOJBJXKFSA-N 1 0 421.907 4.456 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)s1 ZINC000435967838 861228818 /nfs/dbraw/zinc/22/88/18/861228818.db2.gz BKEVAJXRHJCXKU-SWLSCSKDSA-N 1 0 404.333 4.228 20 30 HIEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1F ZINC000007919540 845447487 /nfs/dbraw/zinc/44/74/87/845447487.db2.gz ABDVNUBBSWFCKX-UHFFFAOYSA-N 1 0 401.507 4.107 20 30 HIEDRO COC(=O)c1c(C)[nH]c(C(=O)C(C(=S)Nc2ccccc2C)[n+]2ccccc2)c1C ZINC000011167894 845761658 /nfs/dbraw/zinc/76/16/58/845761658.db2.gz UPUJVTAHVOYJAR-UHFFFAOYSA-O 1 0 422.530 4.065 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000436309481 861613361 /nfs/dbraw/zinc/61/33/61/861613361.db2.gz SIEILYDSGKORBB-NYVOZVTQSA-N 1 0 419.974 4.404 20 30 HIEDRO CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000436343469 861655779 /nfs/dbraw/zinc/65/57/79/861655779.db2.gz JQSYGQMMFRBTTK-RPWUZVMVSA-N 1 0 405.542 4.319 20 30 HIEDRO CCOc1ccc(C(=O)C(C(=S)NC)[n+]2ccc(Cc3ccccc3)cc2)cc1 ZINC000022734451 846611570 /nfs/dbraw/zinc/61/15/70/846611570.db2.gz GEBQKZWCCUQWEA-UHFFFAOYSA-O 1 0 405.543 4.122 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2cc(C)n(C)c2C)C(=S)NCCc2ccccc2)cc1 ZINC000022735593 846612373 /nfs/dbraw/zinc/61/23/73/846612373.db2.gz FUMZPJBBLFMOPD-UHFFFAOYSA-O 1 0 420.602 4.263 20 30 HIEDRO COc1ccc(CCNC(=S)C(C(=O)c2ccc(C)c(C)c2)[n+]2ccccc2)cc1 ZINC000022801379 846622815 /nfs/dbraw/zinc/62/28/15/846622815.db2.gz FFFJYLUHOYHNTK-UHFFFAOYSA-O 1 0 419.570 4.371 20 30 HIEDRO CCCNC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000022805792 846623755 /nfs/dbraw/zinc/62/37/55/846623755.db2.gz ZKSQWENORAWVOF-UHFFFAOYSA-O 1 0 414.551 4.427 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H](c3nc4ccccc4o3)C1)CCC2 ZINC000024668189 846851995 /nfs/dbraw/zinc/85/19/95/846851995.db2.gz FBKWNOQQYCOKLD-HNNXBMFYSA-N 1 0 420.538 4.458 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(C(=O)c3ccccc3)CC1)CCC2 ZINC000025946885 847061369 /nfs/dbraw/zinc/06/13/69/847061369.db2.gz NSYBTAXECLXBHU-UHFFFAOYSA-N 1 0 407.539 4.032 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1C#N ZINC000027150251 847255921 /nfs/dbraw/zinc/25/59/21/847255921.db2.gz DVKGUBOBGMPKPY-UHFFFAOYSA-N 1 0 406.555 4.078 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)cc1 ZINC000029983658 847664376 /nfs/dbraw/zinc/66/43/76/847664376.db2.gz MMGDMSZXEMMVIP-UHFFFAOYSA-N 1 0 400.526 4.097 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3cccc4ccccc43)CC2)cc1 ZINC000031184528 847838941 /nfs/dbraw/zinc/83/89/41/847838941.db2.gz MFJQDNCESVPBTE-UHFFFAOYSA-N 1 0 412.537 4.171 20 30 HIEDRO C[C@@H](NC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000042019619 848273868 /nfs/dbraw/zinc/27/38/68/848273868.db2.gz DGGGYYPBCHGHSE-GOSISDBHSA-N 1 0 418.541 4.139 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000045233709 848649652 /nfs/dbraw/zinc/64/96/52/848649652.db2.gz XQOZWOCHCPBUSD-HXUWFJFHSA-N 1 0 412.534 4.008 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(OC(F)(F)F)cc1 ZINC000046583668 848878984 /nfs/dbraw/zinc/87/89/84/848878984.db2.gz DHRYBZXTHVBDHJ-UHFFFAOYSA-N 1 0 423.460 4.468 20 30 HIEDRO COc1cc(C[N@H+](CCC(=O)Nc2ccccc2C#N)C2CC2)ccc1OC(F)F ZINC000054428382 849866376 /nfs/dbraw/zinc/86/63/76/849866376.db2.gz HJCILXGCUPXEPZ-UHFFFAOYSA-N 1 0 415.440 4.161 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)c1cccs1 ZINC000055110948 849971782 /nfs/dbraw/zinc/97/17/82/849971782.db2.gz SLKVEOHSDNTNKJ-OAQYLSRUSA-N 1 0 405.523 4.231 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1ccc2c(c1)OCO2)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000055375745 850009073 /nfs/dbraw/zinc/00/90/73/850009073.db2.gz PASHXPLGAHCYLB-KBPBESRZSA-N 1 0 411.527 4.295 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1ccccc1C#N ZINC000056144406 850253323 /nfs/dbraw/zinc/25/33/23/850253323.db2.gz VTRFEIUIKGWHCN-ZWKOTPCHSA-N 1 0 400.482 4.210 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000056196590 850279789 /nfs/dbraw/zinc/27/97/89/850279789.db2.gz RBBABJJZMGGJCU-UONOGXRCSA-N 1 0 412.515 4.475 20 30 HIEDRO CC(C)COc1ccccc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000057851716 850732291 /nfs/dbraw/zinc/73/22/91/850732291.db2.gz UDSMEFDGCUKVHK-UHFFFAOYSA-N 1 0 420.557 4.011 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1cccc(F)c1 ZINC000058560391 850856531 /nfs/dbraw/zinc/85/65/31/850856531.db2.gz MAPLVVJKEWKSRB-KRWDZBQOSA-N 1 0 424.398 4.063 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(C)(C)c1cccc(Cl)c1 ZINC000060575966 851153745 /nfs/dbraw/zinc/15/37/45/851153745.db2.gz MNMADSZRQJTTJL-UHFFFAOYSA-N 1 0 412.965 4.263 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000063402796 851680020 /nfs/dbraw/zinc/68/00/20/851680020.db2.gz DVEIENGAOXJSIV-UHFFFAOYSA-N 1 0 406.505 4.060 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000063407393 851681265 /nfs/dbraw/zinc/68/12/65/851681265.db2.gz CGQYSUIWBHPSKF-UHFFFAOYSA-N 1 0 413.587 4.367 20 30 HIEDRO CC(C)[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000063560025 851714191 /nfs/dbraw/zinc/71/41/91/851714191.db2.gz GIAFFMSLRRDWTF-UHFFFAOYSA-N 1 0 400.866 4.359 20 30 HIEDRO CCOc1ccc([C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1[N+](=O)[O-] ZINC000437086770 862279123 /nfs/dbraw/zinc/27/91/23/862279123.db2.gz LSJBLXUMDSATJG-MNNVXMFVSA-N 1 0 410.474 4.301 20 30 HIEDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437090852 862282093 /nfs/dbraw/zinc/28/20/93/862282093.db2.gz BODMLUVFHZSCKM-RPCJCACASA-N 1 0 406.530 4.213 20 30 HIEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC000064448110 851900196 /nfs/dbraw/zinc/90/01/96/851900196.db2.gz ZDPJNLVWNQQPJZ-UHFFFAOYSA-N 1 0 401.432 4.314 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccco1 ZINC000065409318 852122512 /nfs/dbraw/zinc/12/25/12/852122512.db2.gz GFUXNEOKBWITRS-MRXNPFEDSA-N 1 0 424.423 4.297 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)COc1ccccc1-c1ccccc1 ZINC000065930821 852320447 /nfs/dbraw/zinc/32/04/47/852320447.db2.gz ADTJCWLXGODTAH-UHFFFAOYSA-N 1 0 413.521 4.194 20 30 HIEDRO C=CCOc1ccc(/C=C/C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000068923522 852377441 /nfs/dbraw/zinc/37/74/41/852377441.db2.gz OIJXUVVQOUUEGR-ZRDIBKRKSA-N 1 0 406.526 4.054 20 30 HIEDRO COc1cccc([C@@H](CNC(=O)Nc2ccccc2SC[C@H](C)C#N)[NH+](C)C)c1 ZINC000078714814 852526253 /nfs/dbraw/zinc/52/62/53/852526253.db2.gz WLBOQJQQTLOEJC-OXQOHEQNSA-N 1 0 412.559 4.371 20 30 HIEDRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000079040867 852538751 /nfs/dbraw/zinc/53/87/51/852538751.db2.gz ZZRHDIPTBAUCAX-OAHLLOKOSA-N 1 0 420.340 4.223 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(SC(F)(F)F)cc1 ZINC000107602862 852780743 /nfs/dbraw/zinc/78/07/43/852780743.db2.gz AZIASWJOOMKXPP-UHFFFAOYSA-N 1 0 407.461 4.374 20 30 HIEDRO COc1cccc(C[C@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000108093925 852821784 /nfs/dbraw/zinc/82/17/84/852821784.db2.gz PGLAVFWVGGLHLR-JOCHJYFZSA-N 1 0 405.542 4.266 20 30 HIEDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000108707058 852874109 /nfs/dbraw/zinc/87/41/09/852874109.db2.gz XVKWVRBKRNHGLN-QFBILLFUSA-N 1 0 417.962 4.058 20 30 HIEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccccc1C#N ZINC000109069540 852916662 /nfs/dbraw/zinc/91/66/62/852916662.db2.gz ISIQYZNNOVFKHD-UHFFFAOYSA-N 1 0 420.340 4.224 20 30 HIEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)CSCc1ccc(C#N)cc1 ZINC000109498554 852977311 /nfs/dbraw/zinc/97/73/11/852977311.db2.gz DCECMJOZTBFFQF-UHFFFAOYSA-N 1 0 411.596 4.287 20 30 HIEDRO N#Cc1ccccc1-c1ccc(CN2CC[NH+](CCCOCC(F)(F)F)CC2)cc1 ZINC000110986420 853181207 /nfs/dbraw/zinc/18/12/07/853181207.db2.gz DHXASBHGQQDOIP-UHFFFAOYSA-N 1 0 417.475 4.312 20 30 HIEDRO COc1ccccc1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000116163592 853289042 /nfs/dbraw/zinc/28/90/42/853289042.db2.gz KKIHBGDNXYNJDP-QGZVFWFLSA-N 1 0 409.555 4.153 20 30 HIEDRO CN(C)C(=O)C[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1 ZINC000140571914 853447346 /nfs/dbraw/zinc/44/73/46/853447346.db2.gz ZZIAQWQTQHDFFI-VWLOTQADSA-N 1 0 413.521 4.446 20 30 HIEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(OCc4ccncc4)cc3)CC2)cc1 ZINC000143228285 853511071 /nfs/dbraw/zinc/51/10/71/853511071.db2.gz XBVDYPJWYITEJZ-UHFFFAOYSA-N 1 0 412.537 4.240 20 30 HIEDRO COc1ccc(C[NH2+][C@H](C)c2ccc(N3CCOCC3)cc2)cc1OCCCC#N ZINC000147194985 853584060 /nfs/dbraw/zinc/58/40/60/853584060.db2.gz UCTWBISWQPOFIQ-LJQANCHMSA-N 1 0 409.530 4.065 20 30 HIEDRO CC[C@@H](NC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccccc1)c1cccs1 ZINC000186968077 853669255 /nfs/dbraw/zinc/66/92/55/853669255.db2.gz ZBOYDHHWYFAAES-OAHLLOKOSA-O 1 0 400.549 4.320 20 30 HIEDRO C=CCN(Cc1ccccc1F)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000195548053 853678011 /nfs/dbraw/zinc/67/80/11/853678011.db2.gz WGVDIGZBXPWIOJ-HSZRJFAPSA-N 1 0 411.521 4.369 20 30 HIEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000195650717 853737714 /nfs/dbraw/zinc/73/77/14/853737714.db2.gz TYMMYWYMHPSNJN-KRWDZBQOSA-N 1 0 412.496 4.156 20 30 HIEDRO C=CCOc1ccc(/C=C\C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1OC ZINC000212852375 853822965 /nfs/dbraw/zinc/82/29/65/853822965.db2.gz OIJXUVVQOUUEGR-BENRWUELSA-N 1 0 406.526 4.054 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)cc1Br ZINC000216018976 853842518 /nfs/dbraw/zinc/84/25/18/853842518.db2.gz DFIDNKYRRHZLIG-LLVKDONJSA-N 1 0 408.321 4.070 20 30 HIEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000227244176 853883516 /nfs/dbraw/zinc/88/35/16/853883516.db2.gz DPCQBQKBZXDAMT-GIIQAUJJSA-N 1 0 408.546 4.327 20 30 HIEDRO C=CCN1CCC([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CC1 ZINC000236732074 853917163 /nfs/dbraw/zinc/91/71/63/853917163.db2.gz QYPJJFKPQCDZOI-UHFFFAOYSA-N 1 0 416.363 4.163 20 30 HIEDRO CCCOc1c(Cl)cc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1OC ZINC000236906483 853935837 /nfs/dbraw/zinc/93/58/37/853935837.db2.gz IVPAJYVHWWHZKE-UHFFFAOYSA-N 1 0 414.937 4.163 20 30 HIEDRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+]Cc3cc(C#N)cs3)c2)cc1 ZINC000237475514 854041325 /nfs/dbraw/zinc/04/13/25/854041325.db2.gz KUDCNAVGHXXQTQ-UHFFFAOYSA-N 1 0 407.495 4.049 20 30 HIEDRO COc1cccc(N2CCC[C@@H]([NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)C2)c1 ZINC000237506221 854047662 /nfs/dbraw/zinc/04/76/62/854047662.db2.gz QEXFIFHOZJAORY-JOCHJYFZSA-N 1 0 415.541 4.231 20 30 HIEDRO COc1cccc(N2CC[C@H](C[NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)C2)c1 ZINC000237519040 854048205 /nfs/dbraw/zinc/04/82/05/854048205.db2.gz DTLMBKFWPUIJQB-HXUWFJFHSA-N 1 0 415.541 4.088 20 30 HIEDRO C[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)Sc1ccc(Br)cc1 ZINC000237566441 854055525 /nfs/dbraw/zinc/05/55/25/854055525.db2.gz LXLYXNOXBRLMKL-CYBMUJFWSA-N 1 0 401.333 4.239 20 30 HIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000237608830 854061238 /nfs/dbraw/zinc/06/12/38/854061238.db2.gz AXVCLARTLZPSDM-AEFFLSMTSA-N 1 0 401.457 4.337 20 30 HIEDRO Cc1nccn1-c1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1F ZINC000237651251 854068033 /nfs/dbraw/zinc/06/80/33/854068033.db2.gz NRBXZCNQKWVHRN-UHFFFAOYSA-N 1 0 414.488 4.387 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccnc(OCC(F)(F)F)c2)c(-c2ccccc2)n1 ZINC000237676306 854072989 /nfs/dbraw/zinc/07/29/89/854072989.db2.gz LVJJNZDQCBSVFR-UHFFFAOYSA-N 1 0 415.419 4.090 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCCc2nnc3n2CCCCC3)c1 ZINC000237837899 854106516 /nfs/dbraw/zinc/10/65/16/854106516.db2.gz AWGLSYSWAJITOA-UHFFFAOYSA-N 1 0 415.541 4.178 20 30 HIEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000237860697 854109646 /nfs/dbraw/zinc/10/96/46/854109646.db2.gz WPMZSSUKRUJNHB-FQEVSTJZSA-N 1 0 403.505 4.259 20 30 HIEDRO C[C@H]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000301450418 854397949 /nfs/dbraw/zinc/39/79/49/854397949.db2.gz PUIHFQKFRDVUSU-KRWDZBQOSA-N 1 0 401.470 4.115 20 30 HIEDRO N#Cc1ccc(Cl)cc1N1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000301973245 854507487 /nfs/dbraw/zinc/50/74/87/854507487.db2.gz AMHOZXKGMMGKFZ-UHFFFAOYSA-N 1 0 413.934 4.078 20 30 HIEDRO COc1cccc([C@@H]2[C@H](Nc3nc(C(F)(F)F)ccc3C#N)CC[N@@H+]2C2CC2)c1 ZINC000302050687 854522779 /nfs/dbraw/zinc/52/27/79/854522779.db2.gz ORCLPGZQDRXADM-IEBWSBKVSA-N 1 0 402.420 4.371 20 30 HIEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000302901982 854672437 /nfs/dbraw/zinc/67/24/37/854672437.db2.gz TZSFPUWDEDKVRB-GOSISDBHSA-N 1 0 424.907 4.468 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCCN(c3ccccc3)CC2)sc2c1CCCCC2 ZINC000302962920 854698434 /nfs/dbraw/zinc/69/84/34/854698434.db2.gz MNRYJVRTYYGNMT-UHFFFAOYSA-N 1 0 422.598 4.430 20 30 HIEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)CSc2ccc(C#N)cc2)C1 ZINC000303217552 854821338 /nfs/dbraw/zinc/82/13/38/854821338.db2.gz UFKDIZJJMAEZMP-KDURUIRLSA-N 1 0 407.583 4.445 20 30 HIEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)CSc2ccc(C#N)cc2)C1 ZINC000303217554 854821540 /nfs/dbraw/zinc/82/15/40/854821540.db2.gz UFKDIZJJMAEZMP-RTBURBONSA-N 1 0 407.583 4.445 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)CC1 ZINC000303328250 854874321 /nfs/dbraw/zinc/87/43/21/854874321.db2.gz NCVIHERBRNKUDR-UHFFFAOYSA-N 1 0 410.543 4.396 20 30 HIEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)CC1 ZINC000303348837 854886270 /nfs/dbraw/zinc/88/62/70/854886270.db2.gz XVHYTEYRDMTUBH-AWEZNQCLSA-N 1 0 401.963 4.294 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000303619660 855081670 /nfs/dbraw/zinc/08/16/70/855081670.db2.gz CXOTYBFWPDPWCR-IOJLRTSASA-N 1 0 414.619 4.216 20 30 HIEDRO Cc1nn(Cc2ccccc2)c(C)c1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000303769900 855187886 /nfs/dbraw/zinc/18/78/86/855187886.db2.gz BIYRCWQXFDAGRC-UHFFFAOYSA-N 1 0 417.435 4.374 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccnc(OCc3ccccc3)c2)c1 ZINC000303872038 855262126 /nfs/dbraw/zinc/26/21/26/855262126.db2.gz BSJMGHSMSIABFX-UHFFFAOYSA-N 1 0 420.513 4.385 20 30 HIEDRO COc1ccc(NC(=[NH2+])NC[C@@H](c2ccccc2)N2CCc3sccc3C2)cc1 ZINC000303873231 855263389 /nfs/dbraw/zinc/26/33/89/855263389.db2.gz CJFIFYNWYPOITC-NRFANRHFSA-N 1 0 406.555 4.283 20 30 HIEDRO [NH2+]=C(NC[C@H](c1cccc(Cl)c1)N1CCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000303911294 855284540 /nfs/dbraw/zinc/28/45/40/855284540.db2.gz ZMHHGAYEGRNCLI-LJQANCHMSA-N 1 0 414.937 4.065 20 30 HIEDRO CC[C@@H](C)C(=O)Nc1cccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000304487037 855356689 /nfs/dbraw/zinc/35/66/89/855356689.db2.gz LSSYSLJMWKCZBA-CQSZACIVSA-N 1 0 422.451 4.174 20 30 HIEDRO COc1ccc(NC(=[NH2+])NC[C@H](C)Sc2ccc(Br)cc2)cc1OC ZINC000304754890 855357383 /nfs/dbraw/zinc/35/73/83/855357383.db2.gz MGYWAYISMHYJGJ-LBPRGKRZSA-N 1 0 424.364 4.374 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCC(C)(C)c2ccccc2Br)cc1OC ZINC000305182031 855360044 /nfs/dbraw/zinc/36/00/44/855360044.db2.gz HTWZAFNHWXYCHM-UHFFFAOYSA-N 1 0 406.324 4.171 20 30 HIEDRO CC(C)CC(=O)Nc1cccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000305239409 855360922 /nfs/dbraw/zinc/36/09/22/855360922.db2.gz PXFQZRRBRROREO-UHFFFAOYSA-N 1 0 408.424 4.497 20 30 HIEDRO [NH2+]=C(NCc1ccc(OCC(F)(F)F)cc1)Nc1ccccc1OC(F)(F)F ZINC000305249330 855360943 /nfs/dbraw/zinc/36/09/43/855360943.db2.gz UPMQJHHUQVOJKZ-UHFFFAOYSA-N 1 0 407.314 4.453 20 30 HIEDRO [NH2+]=C(NCCCC(=O)Nc1ccc(Cl)cc1)Nc1ccccc1OC(F)(F)F ZINC000305267601 855361148 /nfs/dbraw/zinc/36/11/48/855361148.db2.gz ZDLAHJGZQVTTSS-UHFFFAOYSA-N 1 0 414.815 4.384 20 30 HIEDRO CCN(CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000426420958 856282245 /nfs/dbraw/zinc/28/22/45/856282245.db2.gz PJCUXZZAIWMCSQ-FXAWDEMLSA-N 1 0 410.587 4.333 20 30 HIEDRO CCN(CC(=O)Nc1sc(C)c(C)c1C#N)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000426420959 856282590 /nfs/dbraw/zinc/28/25/90/856282590.db2.gz PJCUXZZAIWMCSQ-PXNSSMCTSA-N 1 0 410.587 4.333 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ncc(Cc2ccccc2Cl)s1 ZINC000426680350 856409590 /nfs/dbraw/zinc/40/95/90/856409590.db2.gz MVWGXLARRWZICL-UHFFFAOYSA-N 1 0 405.955 4.087 20 30 HIEDRO O=C(Nc1ccc(O)cc1)C1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426990418 856582913 /nfs/dbraw/zinc/58/29/13/856582913.db2.gz IFJMYNKVRAKHTO-UHFFFAOYSA-N 1 0 402.416 4.113 20 30 HIEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cc(C[NH+]4CCCC4)ccc3C)C2)n1 ZINC000427491913 856840235 /nfs/dbraw/zinc/84/02/35/856840235.db2.gz BVWRFOZTONIFBO-JOCHJYFZSA-N 1 0 417.557 4.021 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CCCc4ncc(C(F)(F)F)cc43)C2=O)cc1 ZINC000427884300 856993581 /nfs/dbraw/zinc/99/35/81/856993581.db2.gz HUCWJIBSWFCDHQ-UXHICEINSA-N 1 0 414.431 4.135 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)cc1OCC ZINC000428567001 857267815 /nfs/dbraw/zinc/26/78/15/857267815.db2.gz QKOYUZPCQVIFBD-MRXNPFEDSA-N 1 0 418.331 4.375 20 30 HIEDRO N#Cc1cnc2c(F)cc(F)cc2c1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428666196 857293537 /nfs/dbraw/zinc/29/35/37/857293537.db2.gz GXJMEZZKRXYAFJ-IBGZPJMESA-N 1 0 408.452 4.088 20 30 HIEDRO CN(CC[NH+](C)C)C(=O)Nc1ccc(Oc2ccc(C(F)(F)F)cc2)c(C#N)c1 ZINC000428871222 857379988 /nfs/dbraw/zinc/37/99/88/857379988.db2.gz HTGNKCOULRIYJP-UHFFFAOYSA-N 1 0 406.408 4.395 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cncn1Cc1ccccc1 ZINC000437602446 862916135 /nfs/dbraw/zinc/91/61/35/862916135.db2.gz MTFLWTOLMWSDII-UHFFFAOYSA-N 1 0 422.602 4.030 20 30 HIEDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)[C@@H](C)[C@@H]1OC ZINC000429285656 857590058 /nfs/dbraw/zinc/59/00/58/857590058.db2.gz OTPIXLQETLGHRK-NBJYBMASSA-N 1 0 403.592 4.306 20 30 HIEDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)[C@@H](C)[C@@H]1OC ZINC000429298776 857596523 /nfs/dbraw/zinc/59/65/23/857596523.db2.gz XUJXVCKDOQDSOZ-NBJYBMASSA-N 1 0 403.592 4.449 20 30 HIEDRO CCOC(=O)C1CCC(O)(C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000429340297 857609786 /nfs/dbraw/zinc/60/97/86/857609786.db2.gz HSPVTPPIWXWFNE-KJIJUEMSSA-N 1 0 406.526 4.360 20 30 HIEDRO Cc1noc(C[C@H]([NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)c2ccccc2)n1 ZINC000429530418 857723590 /nfs/dbraw/zinc/72/35/90/857723590.db2.gz SNSBZKOYMHDMOB-IBGZPJMESA-N 1 0 401.388 4.202 20 30 HIEDRO CCS[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000429666407 857826722 /nfs/dbraw/zinc/82/67/22/857826722.db2.gz FOCOWNFVLIYVHI-WOJBJXKFSA-N 1 0 414.575 4.210 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H]1[C@@H]3CCO[C@@H]3C13CCCC3)CCCCC2 ZINC000429724944 857851305 /nfs/dbraw/zinc/85/13/05/857851305.db2.gz XZOCTSFQTHRTHX-DQLDELGASA-N 1 0 413.587 4.155 20 30 HIEDRO N#CCSc1cccc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)c1 ZINC000429791363 857886363 /nfs/dbraw/zinc/88/63/63/857886363.db2.gz ALZHSXFESSKYDC-UHFFFAOYSA-N 1 0 422.554 4.369 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000429837318 857904313 /nfs/dbraw/zinc/90/43/13/857904313.db2.gz LBPKLPFMVKDHKB-UHFFFAOYSA-N 1 0 402.523 4.157 20 30 HIEDRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH2+]CC2(CC#N)CC2)c1 ZINC000430041674 858008147 /nfs/dbraw/zinc/00/81/47/858008147.db2.gz ALBSFLMZNMYQBZ-UHFFFAOYSA-N 1 0 402.498 4.340 20 30 HIEDRO COc1ccccc1-c1ncc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cn1 ZINC000430081098 858022654 /nfs/dbraw/zinc/02/26/54/858022654.db2.gz ZDHMURAWTOUQPW-UHFFFAOYSA-N 1 0 400.482 4.067 20 30 HIEDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1OCc1ccccc1 ZINC000430157445 858058063 /nfs/dbraw/zinc/05/80/63/858058063.db2.gz DMYLRKHEVAVGRR-QFIPXVFZSA-N 1 0 415.493 4.194 20 30 HIEDRO N#CCSc1cccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000430592217 858229492 /nfs/dbraw/zinc/22/94/92/858229492.db2.gz LZHJQLUOTMATQX-XMMPIXPASA-N 1 0 405.567 4.431 20 30 HIEDRO C=CCN1C(=O)N(Cc2ccccc2C[NH+]2CCCCC2)C(=O)[C@H]1Cc1ccccc1 ZINC000430758826 858292476 /nfs/dbraw/zinc/29/24/76/858292476.db2.gz VZZTUNPUGNEEHH-XMMPIXPASA-N 1 0 417.553 4.234 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(Cl)c(CN4CCOCC4)c3)CC2)cc1 ZINC000430760474 858293178 /nfs/dbraw/zinc/29/31/78/858293178.db2.gz JAARHRKCRPFIJC-UHFFFAOYSA-N 1 0 424.976 4.120 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000431626792 858698218 /nfs/dbraw/zinc/69/82/18/858698218.db2.gz XSEVWIWISREHCZ-UHFFFAOYSA-N 1 0 402.539 4.051 20 30 HIEDRO C[C@@H](NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1ccc(C#N)cc1 ZINC000431864598 858845195 /nfs/dbraw/zinc/84/51/95/858845195.db2.gz KMJKEIIVAJMTCQ-HXUWFJFHSA-N 1 0 402.542 4.317 20 30 HIEDRO N#CCCC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000433029196 859488325 /nfs/dbraw/zinc/48/83/25/859488325.db2.gz RHMHSAWZFOUNJG-LJQANCHMSA-N 1 0 421.360 4.248 20 30 HIEDRO N#CCCC[C@H]([NH2+]CC(=O)Nc1cc2c(cc1Cl)OCCCO2)c1ccccc1 ZINC000433027771 859488543 /nfs/dbraw/zinc/48/85/43/859488543.db2.gz MPQWZEQIBWYFOJ-SFHVURJKSA-N 1 0 413.905 4.465 20 30 HIEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCCSC1 ZINC000433195988 859563544 /nfs/dbraw/zinc/56/35/44/859563544.db2.gz FBEKZOZXTLAVRY-MRXNPFEDSA-N 1 0 421.632 4.061 20 30 HIEDRO Cc1ccc([C@H]2OCCC[C@@H]2C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000433315987 859634498 /nfs/dbraw/zinc/63/44/98/859634498.db2.gz ZZUYKJMALMOOIP-RCZVLFRGSA-N 1 0 415.541 4.425 20 30 HIEDRO Cc1ccc([C@H]2OCCC[C@H]2C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000433315990 859634529 /nfs/dbraw/zinc/63/45/29/859634529.db2.gz ZZUYKJMALMOOIP-WIOPSUGQSA-N 1 0 415.541 4.425 20 30 HIEDRO CC1(C)[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1OCc1ccccc1 ZINC000433317604 859635351 /nfs/dbraw/zinc/63/53/51/859635351.db2.gz DTAHDNCTYGFILK-PKTZIBPZSA-N 1 0 415.541 4.332 20 30 HIEDRO CN1CCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1c1cccs1 ZINC000433320198 859636931 /nfs/dbraw/zinc/63/69/31/859636931.db2.gz TXYJNJGLLKNYMG-AUSIDOKSSA-N 1 0 420.586 4.093 20 30 HIEDRO CC(C)(C)c1ccccc1OCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433325700 859644242 /nfs/dbraw/zinc/64/42/42/859644242.db2.gz KKEKNEKDSGCDTO-UHFFFAOYSA-N 1 0 403.530 4.325 20 30 HIEDRO N#CCCn1cc(CNc2ccc(CC[NH+]3CCCCC3)cc2)c(-c2ccncc2)n1 ZINC000433332318 859647875 /nfs/dbraw/zinc/64/78/75/859647875.db2.gz USROTJNOQQBQAI-UHFFFAOYSA-N 1 0 414.557 4.499 20 30 HIEDRO CCCCOc1ccc([C@@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)cc1OC ZINC000434860439 860526341 /nfs/dbraw/zinc/52/63/41/860526341.db2.gz ZVUGDHHODLSDOC-QAPCUYQASA-N 1 0 413.543 4.263 20 30 HIEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000434985863 860586185 /nfs/dbraw/zinc/58/61/85/860586185.db2.gz KZQOGIJGOUUTPJ-DHIUTWEWSA-N 1 0 419.504 4.350 20 30 HIEDRO COC[C@@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434989759 860587940 /nfs/dbraw/zinc/58/79/40/860587940.db2.gz CEQRKPCJMKCBKR-NRFANRHFSA-N 1 0 409.921 4.332 20 30 HIEDRO COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435133907 860656787 /nfs/dbraw/zinc/65/67/87/860656787.db2.gz DYGOIMVVADRHIM-JOCHJYFZSA-N 1 0 401.514 4.074 20 30 HIEDRO C[N@H+](Cc1cc(Br)cs1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435137801 860659257 /nfs/dbraw/zinc/65/92/57/860659257.db2.gz NZRAXPNGNAHBAZ-UHFFFAOYSA-N 1 0 416.348 4.315 20 30 HIEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 ZINC000435137472 860659381 /nfs/dbraw/zinc/65/93/81/860659381.db2.gz MHXYGWZIYYBTKZ-UXHICEINSA-N 1 0 420.513 4.450 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CC[C@@H](C(=O)N4CCCC4)C3)c2)c1 ZINC000435735770 861017294 /nfs/dbraw/zinc/01/72/94/861017294.db2.gz PXUMOPQOXSVYCQ-PKTZIBPZSA-N 1 0 403.526 4.018 20 30 HIEDRO N#Cc1csc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000437743527 863070162 /nfs/dbraw/zinc/07/01/62/863070162.db2.gz IIHTXTILQVNISU-INIZCTEOSA-N 1 0 407.461 4.146 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000437847382 863203509 /nfs/dbraw/zinc/20/35/09/863203509.db2.gz ZDRRFPJLZFQCBG-IBGZPJMESA-N 1 0 406.530 4.474 20 30 HIEDRO N#Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)cc2Cl)cc1 ZINC000437896995 863267069 /nfs/dbraw/zinc/26/70/69/863267069.db2.gz NEAKOKIDICJVSC-GOSISDBHSA-N 1 0 408.889 4.482 20 30 HIEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cc(C#N)cs2)CC1 ZINC000438063815 863438904 /nfs/dbraw/zinc/43/89/04/863438904.db2.gz DHOLKAKSVKRAIA-UHFFFAOYSA-N 1 0 407.461 4.375 20 30 HIEDRO C=CCC(CC=C)C(=O)Nc1ccccc1N1CC[NH+](CCc2ccncc2)CC1 ZINC000467830281 881662190 /nfs/dbraw/zinc/66/21/90/881662190.db2.gz LEAMCRYUUADEAJ-UHFFFAOYSA-N 1 0 404.558 4.153 20 30 HIEDRO CCC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CC1 ZINC000438190831 863616361 /nfs/dbraw/zinc/61/63/61/863616361.db2.gz WJBXKFMONMZESV-UHFFFAOYSA-N 1 0 408.502 4.355 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(CC(F)(F)F)cc1 ZINC000438257606 863723846 /nfs/dbraw/zinc/72/38/46/863723846.db2.gz MHECHQYEXDWRCC-UHFFFAOYSA-N 1 0 404.436 4.259 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000438637527 864070938 /nfs/dbraw/zinc/07/09/38/864070938.db2.gz PCFYGONQDIYCJG-UHFFFAOYSA-N 1 0 406.246 4.240 20 30 HIEDRO C=CCOc1cccc(NC(=O)C(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)c1 ZINC000438652642 864093609 /nfs/dbraw/zinc/09/36/09/864093609.db2.gz XUORLUOSUBBFFA-QGZVFWFLSA-N 1 0 407.514 4.189 20 30 HIEDRO N#Cc1c(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)sc2c1CCCCC2 ZINC000438994194 864452155 /nfs/dbraw/zinc/45/21/55/864452155.db2.gz BMPBXVDDZDSAFU-RLLQIKCJSA-N 1 0 415.603 4.233 20 30 HIEDRO CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2Cl)C1 ZINC000439439362 864832185 /nfs/dbraw/zinc/83/21/85/864832185.db2.gz OBAVDCHWBDUOTF-INIZCTEOSA-N 1 0 401.860 4.225 20 30 HIEDRO CCOc1ccccc1NC(=O)[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccccc1 ZINC000439649549 864976751 /nfs/dbraw/zinc/97/67/51/864976751.db2.gz QWMRZRVBOYXLAN-DEOSSOPVSA-N 1 0 415.493 4.305 20 30 HIEDRO CCCc1c(NC(=O)NCc2ccc(C[NH+](C)C)cc2)cnn1-c1cccc(C#N)c1 ZINC000439662051 864990128 /nfs/dbraw/zinc/99/01/28/864990128.db2.gz ANZSBICJPSTHJY-UHFFFAOYSA-N 1 0 416.529 4.080 20 30 HIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000440174278 865399199 /nfs/dbraw/zinc/39/91/99/865399199.db2.gz LTUDRNBRBNIICH-IBGZPJMESA-N 1 0 405.546 4.099 20 30 HIEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000440230570 865467103 /nfs/dbraw/zinc/46/71/03/865467103.db2.gz HOULDXQQKKZLTG-TXTKFYIRSA-N 1 0 404.558 4.487 20 30 HIEDRO CC1(C)C[N@@H+](C2(CNC(=O)N[C@@H](CCC#N)c3ccccc3)CCCCC2)CCO1 ZINC000440249558 865490652 /nfs/dbraw/zinc/49/06/52/865490652.db2.gz PEXYEVNSEYLOGH-NRFANRHFSA-N 1 0 412.578 4.144 20 30 HIEDRO CC(C)OCC[NH+]1CCC(Nc2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440668294 865860746 /nfs/dbraw/zinc/86/07/46/865860746.db2.gz RNMJDXATQNACMG-UHFFFAOYSA-N 1 0 417.351 4.170 20 30 HIEDRO COc1ccc(Cl)cc1C1(C[NH2+]Cc2ccc(C#N)c(OC)c2)CCOCC1 ZINC000440820356 865935555 /nfs/dbraw/zinc/93/55/55/865935555.db2.gz NSRDHBAYPLOUIR-UHFFFAOYSA-N 1 0 400.906 4.067 20 30 HIEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000440822047 865937904 /nfs/dbraw/zinc/93/79/04/865937904.db2.gz JZCIHEPCOQWWEG-JOCHJYFZSA-N 1 0 406.530 4.064 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)c1C#N ZINC000441232478 866307803 /nfs/dbraw/zinc/30/78/03/866307803.db2.gz SSIARSWWBPOOSM-UXHICEINSA-N 1 0 412.578 4.169 20 30 HIEDRO C[C@@H](O)C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441267549 866341825 /nfs/dbraw/zinc/34/18/25/866341825.db2.gz PVYJVFDHFPCDHR-HZPDHXFCSA-N 1 0 410.905 4.076 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000441352360 866421964 /nfs/dbraw/zinc/42/19/64/866421964.db2.gz KJQXPIISFOLUJU-UGKGYDQZSA-N 1 0 420.557 4.233 20 30 HIEDRO N#Cc1ccc(-c2nnc(C[N@H+](Cc3ccc4c(c3)CCO4)C3CCCC3)o2)cc1 ZINC000441483412 866565178 /nfs/dbraw/zinc/56/51/78/866565178.db2.gz VTHXHYXHOWREFE-UHFFFAOYSA-N 1 0 400.482 4.488 20 30 HIEDRO CCCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000441492570 866575705 /nfs/dbraw/zinc/57/57/05/866575705.db2.gz PWHVAIOZQJCHKC-QHCPKHFHSA-N 1 0 415.541 4.485 20 30 HIEDRO CCCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000441492569 866575826 /nfs/dbraw/zinc/57/58/26/866575826.db2.gz PWHVAIOZQJCHKC-HSZRJFAPSA-N 1 0 415.541 4.485 20 30 HIEDRO C[C@@H]1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000441623466 866723992 /nfs/dbraw/zinc/72/39/92/866723992.db2.gz UEPPMVMLAQFTNQ-HXUWFJFHSA-N 1 0 424.976 4.183 20 30 HIEDRO N#Cc1cc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)ccc1OC(F)(F)F ZINC000442174819 867198154 /nfs/dbraw/zinc/19/81/54/867198154.db2.gz NGFWFJGLYMPJSA-UHFFFAOYSA-N 1 0 418.419 4.243 20 30 HIEDRO CC1(C)C[N@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000443062437 867806545 /nfs/dbraw/zinc/80/65/45/867806545.db2.gz AZEGAUVCCUZIQC-ZHRMCQFGSA-N 1 0 405.546 4.028 20 30 HIEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000443636885 868218409 /nfs/dbraw/zinc/21/84/09/868218409.db2.gz DOHDYXYIVLBIPD-IBGZPJMESA-N 1 0 422.532 4.273 20 30 HIEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443651627 868246574 /nfs/dbraw/zinc/24/65/74/868246574.db2.gz FGMWOCFTJAVVJL-UYAOXDASSA-N 1 0 410.489 4.315 20 30 HIEDRO COc1cc(-c2noc(CCCCC[NH2+]Cc3ccc(C#N)c(C)c3)n2)ccc1O ZINC000443985635 868510653 /nfs/dbraw/zinc/51/06/53/868510653.db2.gz HXCAODWLKMKIBY-UHFFFAOYSA-N 1 0 406.486 4.134 20 30 HIEDRO Cc1cc(C[NH2+][C@@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1C#N ZINC000443999207 868520916 /nfs/dbraw/zinc/52/09/16/868520916.db2.gz BVQZARGQMKUFBX-HXUWFJFHSA-N 1 0 401.432 4.166 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000444174821 868648974 /nfs/dbraw/zinc/64/89/74/868648974.db2.gz HTIMHQMFVFRSAO-LADGPHEKSA-N 1 0 419.569 4.477 20 30 HIEDRO Cc1c(NC(=O)N(CCC#N)CCC[NH+](C)C)n(-c2ccccc2)nc1C(C)(C)C ZINC000444388517 868803923 /nfs/dbraw/zinc/80/39/23/868803923.db2.gz KNVVABFZGNAGDC-UHFFFAOYSA-N 1 0 410.566 4.178 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000444397041 868809450 /nfs/dbraw/zinc/80/94/50/868809450.db2.gz LWZDSKBOJWXZTQ-UHFFFAOYSA-N 1 0 421.261 4.167 20 30 HIEDRO CC(C)(C#N)CCCC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000444671842 868949484 /nfs/dbraw/zinc/94/94/84/868949484.db2.gz IXVBILVDAYMHRE-LJQANCHMSA-N 1 0 403.368 4.351 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1C#N ZINC000444697793 868962801 /nfs/dbraw/zinc/96/28/01/868962801.db2.gz YYERWIUXBRYDFW-MRXNPFEDSA-N 1 0 422.451 4.221 20 30 HIEDRO C=CC[C@@H]1[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)CCCC1(C)C ZINC000444782205 869001000 /nfs/dbraw/zinc/00/10/00/869001000.db2.gz IDVNHRJVKGIRCV-FQEVSTJZSA-N 1 0 400.567 4.018 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1cccc2c1[nH]c1ccccc1c2=O)C(C)C ZINC000444863816 869064553 /nfs/dbraw/zinc/06/45/53/869064553.db2.gz YTAYGULKOMGODY-QFIPXVFZSA-N 1 0 403.526 4.110 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cccc2c1[nH]c1ccccc1c2=O)C(C)C ZINC000444863815 869064710 /nfs/dbraw/zinc/06/47/10/869064710.db2.gz YTAYGULKOMGODY-JOCHJYFZSA-N 1 0 403.526 4.110 20 30 HIEDRO N#Cc1ccccc1Oc1ccc(NC(=O)NCC2CC[NH+](C3CC3)CC2)cc1F ZINC000444911888 869098199 /nfs/dbraw/zinc/09/81/99/869098199.db2.gz NLORJOOIJRSUIX-UHFFFAOYSA-N 1 0 408.477 4.486 20 30 HIEDRO C[N@H+](CCC(=O)Nc1cccc(C#N)c1)[C@H]1CCOc2ccc(Br)cc21 ZINC000445895084 869876274 /nfs/dbraw/zinc/87/62/74/869876274.db2.gz DXYXUEWICJRZNP-SFHVURJKSA-N 1 0 414.303 4.105 20 30 HIEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC000445992189 869954931 /nfs/dbraw/zinc/95/49/31/869954931.db2.gz JOXNYPKHKHONCZ-QUCCMNQESA-N 1 0 422.472 4.277 20 30 HIEDRO COc1ccc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)cc1OCCCC#N ZINC000446829909 870746359 /nfs/dbraw/zinc/74/63/59/870746359.db2.gz MPJIHRCWCLJLAX-UHFFFAOYSA-N 1 0 408.542 4.195 20 30 HIEDRO CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000468516961 882525908 /nfs/dbraw/zinc/52/59/08/882525908.db2.gz NRZZVJKCUXQCGF-QFIPXVFZSA-N 1 0 414.500 4.451 20 30 HIEDRO O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N(CCC(F)(F)F)CC(F)(F)F ZINC000468541273 882578702 /nfs/dbraw/zinc/57/87/02/882578702.db2.gz FOCCDVNGGDDWIB-AWEZNQCLSA-N 1 0 414.365 4.381 20 30 HIEDRO O=C(Nc1ccccc1)C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000448454093 872400733 /nfs/dbraw/zinc/40/07/33/872400733.db2.gz GWWNDDLSSLLJTR-UHFFFAOYSA-N 1 0 402.416 4.287 20 30 HIEDRO CCn1c(CC2CCCCC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460215383 872801456 /nfs/dbraw/zinc/80/14/56/872801456.db2.gz MSJPFESCANDDPM-UHFFFAOYSA-N 1 0 406.578 4.005 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000460372494 873008337 /nfs/dbraw/zinc/00/83/37/873008337.db2.gz DVFKGSFJRWCLJW-UHFFFAOYSA-N 1 0 420.536 4.076 20 30 HIEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460374852 873011526 /nfs/dbraw/zinc/01/15/26/873011526.db2.gz JGFSYKIYXQFORO-ICSRJNTNSA-N 1 0 402.546 4.132 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000460783562 873640834 /nfs/dbraw/zinc/64/08/34/873640834.db2.gz PDSYNSLMTDTJAX-KURKYZTESA-N 1 0 401.530 4.052 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460791950 873656065 /nfs/dbraw/zinc/65/60/65/873656065.db2.gz HXQOHGXHLIBOQU-QYZOEREBSA-N 1 0 415.557 4.442 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460793542 873660466 /nfs/dbraw/zinc/66/04/66/873660466.db2.gz LUSDQABAFIQYNT-FHWLQOOXSA-N 1 0 413.541 4.196 20 30 HIEDRO C=C(C)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460937203 873838520 /nfs/dbraw/zinc/83/85/20/873838520.db2.gz GWDCWELANULVHM-HSZRJFAPSA-N 1 0 407.606 4.484 20 30 HIEDRO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000460952198 873850545 /nfs/dbraw/zinc/85/05/45/873850545.db2.gz NZPSVEXKXCXNKL-CEMLEFRQSA-N 1 0 409.578 4.020 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460953661 873851615 /nfs/dbraw/zinc/85/16/15/873851615.db2.gz ATPBXYFXDDGHSR-SWUCNREESA-N 1 0 423.605 4.408 20 30 HIEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460962995 873860608 /nfs/dbraw/zinc/86/06/08/873860608.db2.gz MQRSTPKCHWIOLH-TZIWHRDSSA-N 1 0 406.578 4.166 20 30 HIEDRO N#C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000461944487 875076579 /nfs/dbraw/zinc/07/65/79/875076579.db2.gz ASZNGHBHUYGTCN-URXFXBBRSA-N 1 0 402.542 4.441 20 30 HIEDRO N#C[C@H]1CCC[C@@H]1NC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000461944486 875076871 /nfs/dbraw/zinc/07/68/71/875076871.db2.gz ASZNGHBHUYGTCN-QPPBQGQZSA-N 1 0 402.542 4.441 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[C@H]2C#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000461951845 875082407 /nfs/dbraw/zinc/08/24/07/875082407.db2.gz DCCWMYQVIBKYOR-QFHJOOASSA-N 1 0 408.468 4.080 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[C@H]2C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000461951840 875082597 /nfs/dbraw/zinc/08/25/97/875082597.db2.gz DCCWMYQVIBKYOR-ISARSNTHSA-N 1 0 408.468 4.080 20 30 HIEDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1)c1cccc(C#N)c1 ZINC000462247298 875365012 /nfs/dbraw/zinc/36/50/12/875365012.db2.gz NAVPFSQRXDAIQH-INIZCTEOSA-N 1 0 403.448 4.271 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2C[C@@H](OCC)C23CCC3)cc1OC ZINC000462751740 875818316 /nfs/dbraw/zinc/81/83/16/875818316.db2.gz BHKIPOWMNYFYSV-QZTJIDSGSA-N 1 0 410.352 4.460 20 30 HIEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000462784261 875838619 /nfs/dbraw/zinc/83/86/19/875838619.db2.gz BHKMZNPDTGDROV-KRWDZBQOSA-N 1 0 415.497 4.859 20 30 HIEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 ZINC000462784262 875838761 /nfs/dbraw/zinc/83/87/61/875838761.db2.gz BHKMZNPDTGDROV-QGZVFWFLSA-N 1 0 415.497 4.859 20 30 HIEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000463203725 876264791 /nfs/dbraw/zinc/26/47/91/876264791.db2.gz QKFYPERLRLLBCP-CIQXWFTPSA-N 1 0 417.981 4.238 20 30 HIEDRO C[C@@H]([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Br)cc1OCCCO ZINC000463360552 876415018 /nfs/dbraw/zinc/41/50/18/876415018.db2.gz VNHYVNHHHLYLQA-CYBMUJFWSA-N 1 0 407.283 4.072 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1 ZINC000464835348 878096393 /nfs/dbraw/zinc/09/63/93/878096393.db2.gz HYYGFYXPNFRXCO-QHCPKHFHSA-N 1 0 418.585 4.147 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464839329 878102873 /nfs/dbraw/zinc/10/28/73/878102873.db2.gz PUMJGLVMTCNBRV-ROUUACIJSA-N 1 0 422.598 4.032 20 30 HIEDRO CCCCOC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000464853539 878133483 /nfs/dbraw/zinc/13/34/83/878133483.db2.gz NFPUBMOKSLPWFK-UHFFFAOYSA-N 1 0 403.592 4.498 20 30 HIEDRO Cc1ccc2c(CCC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c[nH]c2c1 ZINC000465049341 878412072 /nfs/dbraw/zinc/41/20/72/878412072.db2.gz CSYFDFNIFWYSDG-UHFFFAOYSA-N 1 0 400.526 4.015 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N(C)Cc1cc(Br)cs1)C(C)C ZINC000503408445 912387829 /nfs/dbraw/zinc/38/78/29/912387829.db2.gz HXKLJLMNEHASBC-KRWDZBQOSA-N 1 0 414.413 4.351 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000465803623 879417566 /nfs/dbraw/zinc/41/75/66/879417566.db2.gz BQHWDMGCSQLMDF-WWPVKYPJSA-N 1 0 422.598 4.441 20 30 HIEDRO Cc1cc(C(F)(F)F)ccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000466853956 880623075 /nfs/dbraw/zinc/62/30/75/880623075.db2.gz FTKCHAWQRAUFEL-UHFFFAOYSA-N 1 0 418.463 4.159 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](CO)Cc2cccc(C)c2)cc1OC ZINC000466910089 880677979 /nfs/dbraw/zinc/67/79/79/880677979.db2.gz QYOVWKICBJRGSC-SFHVURJKSA-N 1 0 420.347 4.024 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CO)Cc2ccccc2C)cc1OC ZINC000466918307 880685969 /nfs/dbraw/zinc/68/59/69/880685969.db2.gz KQHGKFAIDZDBGT-GOSISDBHSA-N 1 0 420.347 4.024 20 30 HIEDRO C[C@H]1C[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C[N@@H+]1Cc1ccccc1 ZINC000467029955 880829484 /nfs/dbraw/zinc/82/94/84/880829484.db2.gz XRSGUZIHHOAVSY-GHTZIAJQSA-N 1 0 415.493 4.123 20 30 HIEDRO C[NH+](C)CCc1ccc(CNC(=O)c2cccc(COc3ccccc3C#N)c2)cc1 ZINC000467054536 880844369 /nfs/dbraw/zinc/84/43/69/880844369.db2.gz UHLSLVQGGRAJGX-UHFFFAOYSA-N 1 0 413.521 4.171 20 30 HIEDRO Cc1ccccc1-c1noc([C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000467186363 880912232 /nfs/dbraw/zinc/91/22/32/880912232.db2.gz KECSTZWUIVCUGV-IBGZPJMESA-N 1 0 401.514 4.186 20 30 HIEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+]C1(Cc2ccccc2)CCCCC1 ZINC000467188522 880916019 /nfs/dbraw/zinc/91/60/19/880916019.db2.gz WOTWCRHIHSXRJT-UHFFFAOYSA-N 1 0 413.525 4.218 20 30 HIEDRO COCC[C@@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000467266189 881004378 /nfs/dbraw/zinc/00/43/78/881004378.db2.gz OBCMJEINFLZLHV-QFIPXVFZSA-N 1 0 422.573 4.102 20 30 HIEDRO C[C@@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[N@@H+]1CCc2ccccc2C1 ZINC000469256470 883353165 /nfs/dbraw/zinc/35/31/65/883353165.db2.gz YERGFESSKSVVIY-IBGZPJMESA-N 1 0 400.526 4.122 20 30 HIEDRO N#CCCCN1C(=O)CCc2cc(N[C@H]3CCC[N@H+](Cc4ccccc4)C3)ccc21 ZINC000469291774 883389523 /nfs/dbraw/zinc/38/95/23/883389523.db2.gz VLLQBUDSUYWQCX-QHCPKHFHSA-N 1 0 402.542 4.346 20 30 HIEDRO CC(C)c1nccn1CCC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000469372096 883497192 /nfs/dbraw/zinc/49/71/92/883497192.db2.gz WAQSARVTIMQASJ-JOCHJYFZSA-N 1 0 402.498 4.357 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000469485631 883719623 /nfs/dbraw/zinc/71/96/23/883719623.db2.gz JAHVSULKTAFVGP-LJQANCHMSA-N 1 0 401.432 4.293 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000469706266 883880994 /nfs/dbraw/zinc/88/09/94/883880994.db2.gz YKCYMYZOSSYXFL-MRXNPFEDSA-N 1 0 410.518 4.457 20 30 HIEDRO C=CC[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000469899779 884088625 /nfs/dbraw/zinc/08/86/25/884088625.db2.gz UCHVXQFWMKKGQG-KRWDZBQOSA-N 1 0 405.502 4.057 20 30 HIEDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000470182439 884471164 /nfs/dbraw/zinc/47/11/64/884471164.db2.gz GZLZWCDHCYSQNU-SFQUDFHCSA-N 1 0 404.470 4.220 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000512373881 921113745 /nfs/dbraw/zinc/11/37/45/921113745.db2.gz ASHVSHHWBCZWJU-UHFFFAOYSA-N 1 0 408.546 4.313 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000504034190 912937084 /nfs/dbraw/zinc/93/70/84/912937084.db2.gz DDMRPTCLRFIMKR-IBGZPJMESA-N 1 0 405.542 4.086 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2)c1C ZINC000471164357 885719973 /nfs/dbraw/zinc/71/99/73/885719973.db2.gz FMXNMGIKOQFMFM-HSZRJFAPSA-N 1 0 404.558 4.151 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)cc1Br ZINC000471203881 885774046 /nfs/dbraw/zinc/77/40/46/885774046.db2.gz MACATAZARIHCDD-UHFFFAOYSA-N 1 0 420.738 4.178 20 30 HIEDRO CC[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@H]1c1ccccc1 ZINC000472239946 887047376 /nfs/dbraw/zinc/04/73/76/887047376.db2.gz JGGHBRPBRSAPQY-AUSIDOKSSA-N 1 0 413.525 4.198 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2Cc3ccccc3C[C@@H]2C)c1C#N ZINC000472253201 887062675 /nfs/dbraw/zinc/06/26/75/887062675.db2.gz AZUGXSRWGAQVLD-KRWDZBQOSA-N 1 0 416.525 4.393 20 30 HIEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000472494132 887362439 /nfs/dbraw/zinc/36/24/39/887362439.db2.gz DZBZHQLMOBZHQK-ACWUQQCTSA-N 1 0 419.569 4.380 20 30 HIEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)C1 ZINC000472736516 887582986 /nfs/dbraw/zinc/58/29/86/887582986.db2.gz HTOWIZQXXQNURI-QHCPKHFHSA-N 1 0 422.529 4.315 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000504336690 913176275 /nfs/dbraw/zinc/17/62/75/913176275.db2.gz ADUDBWYFSCQPDI-NZQKXSOJSA-N 1 0 419.569 4.255 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(O)(Cc3cccc(F)c3)CC2)c(-c2ccccc2)n1 ZINC000473072402 887890125 /nfs/dbraw/zinc/89/01/25/887890125.db2.gz VFILITCNFUGYOD-UHFFFAOYSA-N 1 0 418.516 4.172 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@]4(C3)OCc3ccccc34)sc2C1 ZINC000473173892 887950760 /nfs/dbraw/zinc/95/07/60/887950760.db2.gz WWXPJIWEAWWAGZ-VOIUYBSRSA-N 1 0 421.566 4.205 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000504384183 913208631 /nfs/dbraw/zinc/20/86/31/913208631.db2.gz HZPOJXVUVIQFGG-UHFFFAOYSA-N 1 0 405.542 4.411 20 30 HIEDRO C=C[C@@](C)(CCOC)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000473623167 888363488 /nfs/dbraw/zinc/36/34/88/888363488.db2.gz IDLBHKNKIOPGTF-NRFANRHFSA-N 1 0 412.496 4.357 20 30 HIEDRO Cc1ccc2nc(C3CC3)cc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c2c1 ZINC000473649898 888397621 /nfs/dbraw/zinc/39/76/21/888397621.db2.gz QYALSEBIUSUFFZ-UHFFFAOYSA-N 1 0 412.537 4.496 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000475262004 890154482 /nfs/dbraw/zinc/15/44/82/890154482.db2.gz GFZMINRQYPAWEE-UHFFFAOYSA-N 1 0 407.558 4.245 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CCC[C@H](OCc3ccccc3F)C2)c(-c2ccncc2)n1 ZINC000475282890 890180192 /nfs/dbraw/zinc/18/01/92/890180192.db2.gz UWIDNDIXFLUCIB-QFIPXVFZSA-N 1 0 419.504 4.179 20 30 HIEDRO COc1ccc(C[NH+]2CCC(CNC(=O)C[C@@H](CC#N)c3ccccc3)CC2)cc1 ZINC000475320070 890238140 /nfs/dbraw/zinc/23/81/40/890238140.db2.gz NTGPWNWAYBBZJR-HSZRJFAPSA-N 1 0 405.542 4.111 20 30 HIEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000475464472 890374524 /nfs/dbraw/zinc/37/45/24/890374524.db2.gz WEWTYPUTAQXUMH-FPOVZHCZSA-N 1 0 422.548 4.232 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000475684624 890625706 /nfs/dbraw/zinc/62/57/06/890625706.db2.gz BWAKURHCTCMHOZ-NTKDMRAZSA-N 1 0 423.582 4.089 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475994689 890917429 /nfs/dbraw/zinc/91/74/29/890917429.db2.gz DQZHILZAEZPMIQ-UHFFFAOYSA-N 1 0 400.523 4.090 20 30 HIEDRO CC(C)(C#N)c1ccc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000476235531 891158849 /nfs/dbraw/zinc/15/88/49/891158849.db2.gz SYNKAERUKJAWJQ-UHFFFAOYSA-N 1 0 419.569 4.289 20 30 HIEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000476483650 891394329 /nfs/dbraw/zinc/39/43/29/891394329.db2.gz AWSRQQKZHJQYNT-XZOQPEGZSA-N 1 0 405.542 4.293 20 30 HIEDRO C=C(C)[C@H](NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1)c1ccc(F)c(F)c1 ZINC000476999320 891925669 /nfs/dbraw/zinc/92/56/69/891925669.db2.gz VRCFHDWMGUTGKJ-NRFANRHFSA-N 1 0 421.532 4.305 20 30 HIEDRO C=C(C)[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000477046630 891974138 /nfs/dbraw/zinc/97/41/38/891974138.db2.gz WEDNMTPZVFZVSB-DQLDELGASA-N 1 0 409.521 4.018 20 30 HIEDRO N#Cc1cccc(OCCC[NH+]2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c1 ZINC000477165651 892088015 /nfs/dbraw/zinc/08/80/15/892088015.db2.gz SOCWFCKERHHVDR-QFIPXVFZSA-N 1 0 409.917 4.428 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2c2nc(-c3cccc(F)c3)c[nH]2)CC1 ZINC000477474716 892457585 /nfs/dbraw/zinc/45/75/85/892457585.db2.gz WGKOCXISCRUVDX-OAQYLSRUSA-N 1 0 411.525 4.103 20 30 HIEDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1[N+](=O)[O-] ZINC000504927600 913665092 /nfs/dbraw/zinc/66/50/92/913665092.db2.gz RJJXFDRGRQQBRY-YJBOKZPZSA-N 1 0 412.465 4.324 20 30 HIEDRO N#CCCN(CCC#N)C(=O)C[NH2+]C1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000477647428 892774295 /nfs/dbraw/zinc/77/42/95/892774295.db2.gz FTMQSXVRVAFDLL-UHFFFAOYSA-N 1 0 406.452 4.110 20 30 HIEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000477841489 892900193 /nfs/dbraw/zinc/90/01/93/892900193.db2.gz AOUIAUJMFLGVAR-QAPCUYQASA-N 1 0 407.436 4.079 20 30 HIEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000477867838 892925742 /nfs/dbraw/zinc/92/57/42/892925742.db2.gz UMCJGEXHZLLPPY-UHFFFAOYSA-N 1 0 417.475 4.397 20 30 HIEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)CCC(=O)Nc1sc3c(c1C#N)CCC3)CCC2 ZINC000478035527 893165374 /nfs/dbraw/zinc/16/53/74/893165374.db2.gz PBZXSAXTTWGEMC-INIZCTEOSA-N 1 0 414.600 4.465 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000478047408 893191288 /nfs/dbraw/zinc/19/12/88/893191288.db2.gz QJHLXKKPJRWJIN-LJQANCHMSA-N 1 0 414.619 4.217 20 30 HIEDRO Cc1cc(C[C@@H](C)[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)n(-c2ccccc2)n1 ZINC000478241516 893406776 /nfs/dbraw/zinc/40/67/76/893406776.db2.gz WLDAQQWFBDUIEL-GOSISDBHSA-N 1 0 410.525 4.174 20 30 HIEDRO C=CCCc1ccccc1NC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000505058735 913797193 /nfs/dbraw/zinc/79/71/93/913797193.db2.gz ZPZNPPHCLNOISV-UHFFFAOYSA-N 1 0 422.573 4.100 20 30 HIEDRO Cc1ccc(Br)c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479213750 894478379 /nfs/dbraw/zinc/47/83/79/894478379.db2.gz JJASDQBGLHRDBJ-UHFFFAOYSA-N 1 0 412.331 4.046 20 30 HIEDRO CC(C)Cc1ccc(CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479284659 894562435 /nfs/dbraw/zinc/56/24/35/894562435.db2.gz SVRIUPBTQRFPLK-UHFFFAOYSA-N 1 0 403.570 4.492 20 30 HIEDRO Cc1cc(O[C@@H](C)C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000479311319 894599670 /nfs/dbraw/zinc/59/96/70/894599670.db2.gz RQZBUFXDAPRFIE-SFHVURJKSA-N 1 0 411.933 4.090 20 30 HIEDRO N#CC1(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000479349933 894646862 /nfs/dbraw/zinc/64/68/62/894646862.db2.gz UJXDDSNNMRWAAA-UHFFFAOYSA-N 1 0 406.917 4.038 20 30 HIEDRO N#Cc1ccccc1Oc1ccccc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000479882421 895225204 /nfs/dbraw/zinc/22/52/04/895225204.db2.gz FEUWADRKKAOZMK-UHFFFAOYSA-N 1 0 412.493 4.140 20 30 HIEDRO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)cc1OCCCC#N ZINC000480046477 895395040 /nfs/dbraw/zinc/39/50/40/895395040.db2.gz SVLWZHGFVLYNRR-OFNKIYASSA-N 1 0 415.484 4.191 20 30 HIEDRO Cn1cc(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000480066484 895415896 /nfs/dbraw/zinc/41/58/96/895415896.db2.gz GUDQOSAUGUFKIV-UHFFFAOYSA-N 1 0 419.960 4.366 20 30 HIEDRO C[C@@H](O)[C@@](C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1 ZINC000480451188 895838960 /nfs/dbraw/zinc/83/89/60/895838960.db2.gz CVQQFSAABNXWDX-CJFMBICVSA-N 1 0 402.542 4.183 20 30 HIEDRO Cc1cc(F)cc2c1ncc(C#N)c2NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000480555732 895917207 /nfs/dbraw/zinc/91/72/07/895917207.db2.gz ODGDIXWFQWIJLI-UHFFFAOYSA-N 1 0 406.427 4.193 20 30 HIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000505360349 914025405 /nfs/dbraw/zinc/02/54/05/914025405.db2.gz RXLMZQNXWGGOQG-UHFFFAOYSA-N 1 0 420.557 4.151 20 30 HIEDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)cc2)C[C@H](C)O1 ZINC000481679939 897063499 /nfs/dbraw/zinc/06/34/99/897063499.db2.gz WMHDPHWNIDTPRF-HHJKRLRDSA-N 1 0 417.553 4.365 20 30 HIEDRO Cc1oc(NC(=O)C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)c(C#N)c1C ZINC000481718946 897113883 /nfs/dbraw/zinc/11/38/83/897113883.db2.gz RKEVKHXAUQKCNJ-SFHVURJKSA-N 1 0 420.282 4.349 20 30 HIEDRO C=CCn1c(SCc2cncn2C)nc2scc(-c3cccs3)c2c1=O ZINC000481752136 897142053 /nfs/dbraw/zinc/14/20/53/897142053.db2.gz SFMILUQIZSTNDO-UHFFFAOYSA-N 1 0 400.554 4.398 20 30 HIEDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCCCc4cc(C#N)ccc43)CC2)cc1 ZINC000481913509 897295351 /nfs/dbraw/zinc/29/53/51/897295351.db2.gz GGHHDABMUWRRJB-XMMPIXPASA-N 1 0 423.582 4.077 20 30 HIEDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NCc1nnc(-c2ccc(C#N)cc2)o1 ZINC000482130450 897587960 /nfs/dbraw/zinc/58/79/60/897587960.db2.gz DYSWIMVHNSJPKK-JOCHJYFZSA-N 1 0 415.541 4.171 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000482417429 897964917 /nfs/dbraw/zinc/96/49/17/897964917.db2.gz RPTQLQPLMJKANM-OAHLLOKOSA-N 1 0 424.389 4.186 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000482840962 898450699 /nfs/dbraw/zinc/45/06/99/898450699.db2.gz YJLUFLBNIXDVRT-LJQANCHMSA-N 1 0 404.432 4.024 20 30 HIEDRO CC(C)(C#N)c1ccccc1C[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000482886053 898501291 /nfs/dbraw/zinc/50/12/91/898501291.db2.gz IHRKWJFCZKNIDZ-UHFFFAOYSA-N 1 0 413.521 4.306 20 30 HIEDRO CCOc1cc(N2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)ccc1[N+](=O)[O-] ZINC000482900225 898518384 /nfs/dbraw/zinc/51/83/84/898518384.db2.gz ZXBWPKLCSREKSN-UHFFFAOYSA-N 1 0 408.502 4.117 20 30 HIEDRO C=CCSc1ccccc1NC(=O)CN1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000482912685 898530793 /nfs/dbraw/zinc/53/07/93/898530793.db2.gz CWWHVUKUZBNILL-IBGZPJMESA-N 1 0 423.582 4.045 20 30 HIEDRO CCCC[C@](C)([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(Br)c1 ZINC000483088264 898774850 /nfs/dbraw/zinc/77/48/50/898774850.db2.gz KNCYZGXTIOPNMI-VQTJNVASSA-N 1 0 406.368 4.253 20 30 HIEDRO C=CCCc1ccccc1NC(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000483136217 898817082 /nfs/dbraw/zinc/81/70/82/898817082.db2.gz PQRBOAUBNVXDAP-DEOSSOPVSA-N 1 0 418.585 4.229 20 30 HIEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000483279870 898916430 /nfs/dbraw/zinc/91/64/30/898916430.db2.gz BIJAWJKKUDWTGJ-UHFFFAOYSA-N 1 0 411.590 4.248 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000483332967 898961972 /nfs/dbraw/zinc/96/19/72/898961972.db2.gz CRSZOUFOOBXJDX-GHTZIAJQSA-N 1 0 420.513 4.307 20 30 HIEDRO COc1ccc(C#N)cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483343342 898974598 /nfs/dbraw/zinc/97/45/98/898974598.db2.gz ZDYSYQADCTVQOH-IRLDBZIGSA-N 1 0 404.514 4.085 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(OC4CCC4)c(F)c3)CC2)cc1 ZINC000483506102 899167876 /nfs/dbraw/zinc/16/78/76/899167876.db2.gz UHUOVUICJCSDBK-UHFFFAOYSA-N 1 0 422.504 4.368 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000483682318 899342282 /nfs/dbraw/zinc/34/22/82/899342282.db2.gz ORFMQTIHRMXGET-XMMPIXPASA-N 1 0 402.542 4.166 20 30 HIEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c(OC)c1 ZINC000484349979 899899318 /nfs/dbraw/zinc/89/93/18/899899318.db2.gz KUWFACFIQHGUPB-APWZRJJASA-N 1 0 401.469 4.074 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)c1oc2ccccc2c1C ZINC000484995214 900348942 /nfs/dbraw/zinc/34/89/42/900348942.db2.gz KUERCWZGBHNGPC-KRWDZBQOSA-N 1 0 422.529 4.357 20 30 HIEDRO C[C@@H](NC(=O)NCCSCc1ccccc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485144985 900444615 /nfs/dbraw/zinc/44/46/15/900444615.db2.gz JSHIYOXCEGKLOA-DENIHFKCSA-N 1 0 422.598 4.001 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OCC(F)(F)F)cc1 ZINC000505785299 914452518 /nfs/dbraw/zinc/45/25/18/914452518.db2.gz STGMHVUDCXXHOV-UHFFFAOYSA-N 1 0 420.435 4.095 20 30 HIEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000486449758 901608710 /nfs/dbraw/zinc/60/87/10/901608710.db2.gz UOIDARLTYJAFSL-DNVJHFABSA-N 1 0 400.563 4.386 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c(OC(F)F)c1 ZINC000486845696 901892824 /nfs/dbraw/zinc/89/28/24/901892824.db2.gz NCWLEUQVIIADJX-VGOFRKELSA-N 1 0 414.456 4.049 20 30 HIEDRO COc1ccc(C#N)cc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486857679 901902473 /nfs/dbraw/zinc/90/24/73/901902473.db2.gz RHWLTAFHPMYOEW-HYBUGGRVSA-N 1 0 400.482 4.171 20 30 HIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cc(Cl)cc(C(F)(F)F)c3)C2=O)cc1 ZINC000486876063 901921050 /nfs/dbraw/zinc/92/10/50/901921050.db2.gz BFMKCJAWFOLKCB-GOSISDBHSA-N 1 0 407.823 4.121 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000505930675 914582315 /nfs/dbraw/zinc/58/23/15/914582315.db2.gz QQUHLPPHFPYTSV-FPOVZHCZSA-N 1 0 418.541 4.472 20 30 HIEDRO N#C[C@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000505944482 914597233 /nfs/dbraw/zinc/59/72/33/914597233.db2.gz SQUVUEXQZYAERB-IBGZPJMESA-N 1 0 419.472 4.249 20 30 HIEDRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3ccccc3C(C)(C)C#N)CC2)cc1F ZINC000487378792 902170307 /nfs/dbraw/zinc/17/03/07/902170307.db2.gz QZXPGSJJZXXJIB-UHFFFAOYSA-N 1 0 407.533 4.464 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H](c2ccccc2)C1 ZINC000487740975 902333820 /nfs/dbraw/zinc/33/38/20/902333820.db2.gz PQOBYCOPJJFSKV-RPWUZVMVSA-N 1 0 404.558 4.358 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)ccc1OC ZINC000505958254 914615697 /nfs/dbraw/zinc/61/56/97/914615697.db2.gz FFDSMMRRVOFXOH-HXUWFJFHSA-N 1 0 422.504 4.152 20 30 HIEDRO COc1cccc([C@@H]2[C@H](NC(=O)N[C@H](CCC#N)c3ccccc3)CC[N@@H+]2C2CC2)c1 ZINC000487935047 902463812 /nfs/dbraw/zinc/46/38/12/902463812.db2.gz MANSBFXAKQMWLG-WXFUMESZSA-N 1 0 418.541 4.317 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc(C#N)c(Br)c1)c1ccco1 ZINC000487971898 902498489 /nfs/dbraw/zinc/49/84/89/902498489.db2.gz XGWREBCDIKJVCL-INIZCTEOSA-N 1 0 405.296 4.118 20 30 HIEDRO CC[NH+](CC)CC1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000488394743 902804910 /nfs/dbraw/zinc/80/49/10/902804910.db2.gz VYLXDLNFWIEMTP-QGZVFWFLSA-N 1 0 416.635 4.269 20 30 HIEDRO CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Br)c1 ZINC000488499379 902856751 /nfs/dbraw/zinc/85/67/51/902856751.db2.gz OGVMKXVIBONVGS-UXHICEINSA-N 1 0 412.331 4.163 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1cccc(OC)c1 ZINC000505994785 914665707 /nfs/dbraw/zinc/66/57/07/914665707.db2.gz DVCPQDIJXQBWJJ-QFIPXVFZSA-N 1 0 411.521 4.183 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1cccc(OC)c1 ZINC000505994784 914665433 /nfs/dbraw/zinc/66/54/33/914665433.db2.gz DVCPQDIJXQBWJJ-JOCHJYFZSA-N 1 0 411.521 4.183 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000488809443 903014726 /nfs/dbraw/zinc/01/47/26/903014726.db2.gz NNECWEJQFHFEJN-GOSISDBHSA-N 1 0 406.368 4.022 20 30 HIEDRO C=CCC[C@H](C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000488818519 903022281 /nfs/dbraw/zinc/02/22/81/903022281.db2.gz QTNNTNPQUNDJCB-QHCPKHFHSA-N 1 0 405.542 4.201 20 30 HIEDRO C=C[C@H]1CCCC[N@H+]1CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000489408293 903371176 /nfs/dbraw/zinc/37/11/76/903371176.db2.gz VXBLVYVGCFPGNE-CVDCTZTESA-N 1 0 405.542 4.499 20 30 HIEDRO C=CCOc1ccc(C[N@@H+](Cc2cnc(N3CCOCC3)s2)C(C)(C)C)cc1 ZINC000506045251 914740687 /nfs/dbraw/zinc/74/06/87/914740687.db2.gz ARZGTOZHPQKZKI-UHFFFAOYSA-N 1 0 401.576 4.345 20 30 HIEDRO COc1cc(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)c(SC)cc1OC ZINC000490536337 904084399 /nfs/dbraw/zinc/08/43/99/904084399.db2.gz BHAXRYBKBULEES-UHFFFAOYSA-N 1 0 422.554 4.330 20 30 HIEDRO CC(C)[N@@H+](Cc1cnc2ccc(C#N)cn12)C[C@H](O)COc1cccc2ccccc21 ZINC000506084305 914789378 /nfs/dbraw/zinc/78/93/78/914789378.db2.gz AUIFJJIFQHUGAD-QFIPXVFZSA-N 1 0 414.509 4.009 20 30 HIEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000491027142 904376400 /nfs/dbraw/zinc/37/64/00/904376400.db2.gz IVVOKTMEUMQVGI-JOCHJYFZSA-N 1 0 405.542 4.086 20 30 HIEDRO C=CCN1CCC([NH2+][C@@H](c2ccc(Cl)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491041269 904392601 /nfs/dbraw/zinc/39/26/01/904392601.db2.gz TYPCAZKLXSOOJI-QFIPXVFZSA-N 1 0 418.990 4.073 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)c(OC(F)F)cc1F ZINC000491390239 904573953 /nfs/dbraw/zinc/57/39/53/904573953.db2.gz SIROTXQUDJMHSB-UHFFFAOYSA-N 1 0 424.398 4.034 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1cccc(Cl)c1Cl ZINC000506209088 914845702 /nfs/dbraw/zinc/84/57/02/914845702.db2.gz PPSIKUVRBISIRV-UHFFFAOYSA-N 1 0 419.356 4.181 20 30 HIEDRO C[C@H]1[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000494016067 905355246 /nfs/dbraw/zinc/35/52/46/905355246.db2.gz HNEQHLRTCLVWSY-MBSDFSHPSA-N 1 0 415.493 4.123 20 30 HIEDRO CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000512417532 921145328 /nfs/dbraw/zinc/14/53/28/921145328.db2.gz ZFWXWCLMYHIQNG-QHCPKHFHSA-N 1 0 405.542 4.266 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000494491645 905777476 /nfs/dbraw/zinc/77/74/76/905777476.db2.gz JGGSPIBWXUDXMU-PFZSIIPOSA-N 1 0 403.954 4.079 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H](OCC3CC3)C2)sc2c1CCCCC2 ZINC000494714251 905916982 /nfs/dbraw/zinc/91/69/82/905916982.db2.gz WKAUNIMHAPAYES-KRWDZBQOSA-N 1 0 401.576 4.108 20 30 HIEDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000495008248 906169415 /nfs/dbraw/zinc/16/94/15/906169415.db2.gz XCHURQNCMYBWKW-VQQMMKBISA-N 1 0 424.589 4.009 20 30 HIEDRO N#Cc1cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1F ZINC000512548931 921229489 /nfs/dbraw/zinc/22/94/89/921229489.db2.gz JRQWTTHGHJQPID-KRWDZBQOSA-N 1 0 406.383 4.112 20 30 HIEDRO CCOC(=O)[C@@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)Cc2ccccc21 ZINC000512663674 921280562 /nfs/dbraw/zinc/28/05/62/921280562.db2.gz OOHNKHNNCGLNRB-HSZRJFAPSA-N 1 0 414.509 4.126 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000497950428 907417985 /nfs/dbraw/zinc/41/79/85/907417985.db2.gz MAXFELPZOFAWAS-UHFFFAOYSA-N 1 0 402.325 4.142 20 30 HIEDRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000498267995 907805411 /nfs/dbraw/zinc/80/54/11/907805411.db2.gz RMZRMIFGXUQBKK-HNNXBMFYSA-N 1 0 420.340 4.223 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000498380461 907869931 /nfs/dbraw/zinc/86/99/31/907869931.db2.gz IIBUIOZUZAZOIN-PMACEKPBSA-N 1 0 415.459 4.271 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000498399501 907881724 /nfs/dbraw/zinc/88/17/24/907881724.db2.gz GGQQQUGWNMNDEP-NZQKXSOJSA-N 1 0 420.513 4.065 20 30 HIEDRO N#CCc1ccc(Oc2ccc(C(=O)N3CCC(C[NH+]4CCCC4)CC3)cc2)cc1 ZINC000498513270 907985454 /nfs/dbraw/zinc/98/54/54/907985454.db2.gz HHFRMDRIOIMULZ-UHFFFAOYSA-N 1 0 403.526 4.493 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000498592558 908044138 /nfs/dbraw/zinc/04/41/38/908044138.db2.gz LIRUSDMBNIENJI-UHFFFAOYSA-N 1 0 401.599 4.349 20 30 HIEDRO COc1cccc(C2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccccc3OC)CC2)c1 ZINC000498693274 908121637 /nfs/dbraw/zinc/12/16/37/908121637.db2.gz IMGSDLIQVRSDBM-LJQANCHMSA-N 1 0 421.541 4.219 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000512899862 921392415 /nfs/dbraw/zinc/39/24/15/921392415.db2.gz BFSHMGNRYIUBKQ-XMMPIXPASA-N 1 0 420.557 4.346 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN(Cc1cccc(O)c1)CC1CC1 ZINC000498900215 908307459 /nfs/dbraw/zinc/30/74/59/908307459.db2.gz XTLGYORKJUKNQW-KRWDZBQOSA-N 1 0 409.555 4.495 20 30 HIEDRO N#C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000499397243 908758921 /nfs/dbraw/zinc/75/89/21/908758921.db2.gz WSQOTQYKPIQCOD-AZUAARDMSA-N 1 0 412.331 4.042 20 30 HIEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@H]1C ZINC000499592628 908849791 /nfs/dbraw/zinc/84/97/91/908849791.db2.gz PWLMHRLZZFCAJV-RTBURBONSA-N 1 0 406.530 4.278 20 30 HIEDRO N#Cc1cc2c(nc1NCCCOC1CC[NH+](Cc3ccccc3)CC1)CCCC2 ZINC000500296609 909765148 /nfs/dbraw/zinc/76/51/48/909765148.db2.gz LYOZQAMGJOVPDM-UHFFFAOYSA-N 1 0 404.558 4.315 20 30 HIEDRO C[S@@](=O)Cc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000513100188 921548407 /nfs/dbraw/zinc/54/84/07/921548407.db2.gz HVVFXLSGJPBASE-GDLZYMKVSA-N 1 0 404.535 4.306 20 30 HIEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000501021553 910239344 /nfs/dbraw/zinc/23/93/44/910239344.db2.gz QYZSMKFJOSZQQW-QZTJIDSGSA-N 1 0 409.530 4.217 20 30 HIEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@H+](C)CC3(C)C)sc2C1 ZINC000501774890 910829199 /nfs/dbraw/zinc/82/91/99/910829199.db2.gz LNEZGUOISDGWOX-INIZCTEOSA-N 1 0 416.635 4.125 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 ZINC000502181352 911109440 /nfs/dbraw/zinc/10/94/40/911109440.db2.gz YWRWNKSZJLDOOV-IBGZPJMESA-N 1 0 416.447 4.168 20 30 HIEDRO CC[C@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000502315469 911285535 /nfs/dbraw/zinc/28/55/35/911285535.db2.gz AFBAKVGDSWCRDO-JOCHJYFZSA-N 1 0 405.542 4.185 20 30 HIEDRO COc1cc(C)c(C[C@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1OC ZINC000502399155 911383532 /nfs/dbraw/zinc/38/35/32/911383532.db2.gz GIHZIYXCPUYLNF-RPCJCACASA-N 1 0 409.530 4.190 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@@H](C)C[C@H]1c1ccccc1 ZINC000513258156 921662180 /nfs/dbraw/zinc/66/21/80/921662180.db2.gz VFFREVBQGRCKTG-JTSKRJEESA-N 1 0 408.546 4.035 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[NH+](C3CCC3)CC2)cc1 ZINC000502477818 911473449 /nfs/dbraw/zinc/47/34/49/911473449.db2.gz OCLVZSKKDNXCMG-UHFFFAOYSA-N 1 0 406.486 4.061 20 30 HIEDRO N#Cc1ccc(Oc2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)cc2)nc1 ZINC000513260534 921664510 /nfs/dbraw/zinc/66/45/10/921664510.db2.gz GZWUFZSVOVWMIO-QFIPXVFZSA-N 1 0 412.493 4.140 20 30 HIEDRO N#Cc1ccc(C2=CC[N@H+](CCC(=O)Nc3ccccc3Br)CC2)cc1 ZINC000502495732 911498140 /nfs/dbraw/zinc/49/81/40/911498140.db2.gz OOKDAHUURCMGCL-UHFFFAOYSA-N 1 0 410.315 4.439 20 30 HIEDRO CC(C)Oc1cccc([C@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000502534582 911539583 /nfs/dbraw/zinc/53/95/83/911539583.db2.gz CJBLUBHJPUJJBS-FQEVSTJZSA-N 1 0 420.557 4.324 20 30 HIEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000502810673 911827920 /nfs/dbraw/zinc/82/79/20/911827920.db2.gz ASRDDJPRKWIHKY-QGZVFWFLSA-N 1 0 417.475 4.486 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)c(-c2ccccc2)n1 ZINC000506293437 914888808 /nfs/dbraw/zinc/88/88/08/914888808.db2.gz FTPLMUWMFUKLOJ-UHFFFAOYSA-N 1 0 417.532 4.311 20 30 HIEDRO N#CCCn1cc(C[N@@H+]2CCCN(Cc3ccc(C#N)cc3)CC2)c(-c2ccccc2)n1 ZINC000506294120 914889922 /nfs/dbraw/zinc/88/99/22/914889922.db2.gz IJERZVCCSLNQCT-UHFFFAOYSA-N 1 0 424.552 4.043 20 30 HIEDRO Cn1cc(C[N@H+](Cc2ccc(C#N)cc2)C2CC2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000506540112 915186104 /nfs/dbraw/zinc/18/61/04/915186104.db2.gz MUSMOAJQJKHHBD-UHFFFAOYSA-N 1 0 414.509 4.285 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](c4nccs4)C3)sc2C1 ZINC000506562836 915210808 /nfs/dbraw/zinc/21/08/08/915210808.db2.gz QAVPEHWXQZXLAP-HUUCEWRRSA-N 1 0 414.600 4.409 20 30 HIEDRO N#Cc1ccc(N2CCC(C(=O)Nc3ccc(CC[NH+]4CCCC4)cc3)CC2)c(F)c1 ZINC000506767069 915473040 /nfs/dbraw/zinc/47/30/40/915473040.db2.gz MTLKUAMAJJVSAW-UHFFFAOYSA-N 1 0 420.532 4.191 20 30 HIEDRO COc1ccccc1O[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000513417334 921785957 /nfs/dbraw/zinc/78/59/57/921785957.db2.gz VEXRVXJDARTQTG-GOSISDBHSA-N 1 0 413.905 4.092 20 30 HIEDRO COc1ccccc1C[C@@H](C)[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1 ZINC000507218737 915969254 /nfs/dbraw/zinc/96/92/54/915969254.db2.gz LXGAGQPJXDIPDR-CJFMBICVSA-N 1 0 407.558 4.183 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc2n[nH]cc2c1 ZINC000507221239 915974434 /nfs/dbraw/zinc/97/44/34/915974434.db2.gz HFXOXJZMISPYHU-KGLIPLIRSA-N 1 0 407.543 4.443 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)C[C@@H]2OCCc3ccccc32)c1 ZINC000507225924 915979242 /nfs/dbraw/zinc/97/92/42/915979242.db2.gz ACHKRCZPVAUWSK-RDPSFJRHSA-N 1 0 405.542 4.184 20 30 HIEDRO C=C[C@@H](CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000507241481 916001533 /nfs/dbraw/zinc/00/15/33/916001533.db2.gz YLQBFPPCFJFYQW-ZCYQVOJMSA-N 1 0 418.581 4.391 20 30 HIEDRO Cc1cc(C(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nn1-c1cccc(C#N)c1 ZINC000507302888 916066477 /nfs/dbraw/zinc/06/64/77/916066477.db2.gz JTXACHQNLZOGLT-LJQANCHMSA-N 1 0 419.573 4.169 20 30 HIEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(Cl)c1 ZINC000507443409 916212477 /nfs/dbraw/zinc/21/24/77/916212477.db2.gz QXONWFPPIFRWCA-IIBYNOLFSA-N 1 0 424.932 4.022 20 30 HIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)ccc1OC ZINC000507998158 916839525 /nfs/dbraw/zinc/83/95/25/916839525.db2.gz KEEUKXICLJYERS-HXUWFJFHSA-N 1 0 409.530 4.204 20 30 HIEDRO COc1cc(C[NH2+]CCSCc2ccccc2C#N)cc(Br)c1O ZINC000508338070 917142323 /nfs/dbraw/zinc/14/23/23/917142323.db2.gz FSYCUWIBNCKNHP-UHFFFAOYSA-N 1 0 407.333 4.058 20 30 HIEDRO C=CCn1c(Cc2cccc3ccccc32)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508510409 917296479 /nfs/dbraw/zinc/29/64/79/917296479.db2.gz RARWYMJYQAISQB-JOCHJYFZSA-N 1 0 401.558 4.273 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000508587741 917360178 /nfs/dbraw/zinc/36/01/78/917360178.db2.gz LUFHFQKGEFPDKU-OAQYLSRUSA-N 1 0 417.431 4.350 20 30 HIEDRO CCOc1cc(C[N@H+](CC)[C@H](C)c2ccc(C#N)cc2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000508601879 917371501 /nfs/dbraw/zinc/37/15/01/917371501.db2.gz BERUXQIUFRCKDA-MOPGFXCFSA-N 1 0 423.557 4.396 20 30 HIEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@@H]2CCCC[C@@H]12 ZINC000508678620 917441536 /nfs/dbraw/zinc/44/15/36/917441536.db2.gz QDCKYGVGSAYAIX-VFNZAUBDSA-N 1 0 424.589 4.071 20 30 HIEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508702459 917464199 /nfs/dbraw/zinc/46/41/99/917464199.db2.gz YTRAOLTUFYKKDX-LJQANCHMSA-N 1 0 402.546 4.052 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508793174 917549135 /nfs/dbraw/zinc/54/91/35/917549135.db2.gz HNMLZFDYIXBPJZ-QZTJIDSGSA-N 1 0 417.985 4.426 20 30 HIEDRO C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508793179 917549296 /nfs/dbraw/zinc/54/92/96/917549296.db2.gz HNMLZFDYIXBPJZ-ZWKOTPCHSA-N 1 0 417.985 4.426 20 30 HIEDRO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508828486 917582043 /nfs/dbraw/zinc/58/20/43/917582043.db2.gz UYGQUOUBXYDLKN-QTEQDKRBSA-N 1 0 421.589 4.231 20 30 HIEDRO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508828488 917582425 /nfs/dbraw/zinc/58/24/25/917582425.db2.gz UYGQUOUBXYDLKN-VIZSFHNOSA-N 1 0 421.589 4.231 20 30 HIEDRO C=CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000508850227 917602538 /nfs/dbraw/zinc/60/25/38/917602538.db2.gz UOBJPXPPHWAUSH-FQEVSTJZSA-N 1 0 411.569 4.142 20 30 HIEDRO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000508868834 917623705 /nfs/dbraw/zinc/62/37/05/917623705.db2.gz XMWNLUINUSJDCC-REWPJTCUSA-N 1 0 421.589 4.089 20 30 HIEDRO C=CCn1c(-c2ccoc2)nnc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000508889414 917644436 /nfs/dbraw/zinc/64/44/36/917644436.db2.gz SGHLGNCNAUMQMC-UHFFFAOYSA-N 1 0 403.530 4.217 20 30 HIEDRO C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508902111 917656706 /nfs/dbraw/zinc/65/67/06/917656706.db2.gz IGBDUFMINRGIBM-GOSISDBHSA-N 1 0 405.468 4.215 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508911325 917668622 /nfs/dbraw/zinc/66/86/22/917668622.db2.gz AELXPCXZMMGMDX-IEBWSBKVSA-N 1 0 415.969 4.322 20 30 HIEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508951707 917708244 /nfs/dbraw/zinc/70/82/44/917708244.db2.gz NLDHBUVDJVSAAR-GOSISDBHSA-N 1 0 415.969 4.009 20 30 HIEDRO C=CCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000508951598 917708719 /nfs/dbraw/zinc/70/87/19/917708719.db2.gz NAZRWGIFTUHRRB-UHFFFAOYSA-N 1 0 410.525 4.002 20 30 HIEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H](Oc1ccccc1C#N)C(C)C ZINC000509191717 917897433 /nfs/dbraw/zinc/89/74/33/917897433.db2.gz JWHVMYITGDUPLU-HSZRJFAPSA-N 1 0 423.582 4.458 20 30 HIEDRO COCC[N@H+](C)CC[C@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000510035788 918608073 /nfs/dbraw/zinc/60/80/73/918608073.db2.gz OVPSORUKSLFMGE-FQEVSTJZSA-N 1 0 400.910 4.043 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)CSc1nc(-c2ccccc2)ccc1C#N)c1ccccc1 ZINC000510200391 918751055 /nfs/dbraw/zinc/75/10/55/918751055.db2.gz SDDKYFNSTJFWKM-JOCHJYFZSA-N 1 0 416.550 4.131 20 30 HIEDRO C=CCOc1ccc(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1OC ZINC000510209243 918758447 /nfs/dbraw/zinc/75/84/47/918758447.db2.gz GKOSNZOIIPSOCG-PZJWPPBQSA-N 1 0 408.542 4.291 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)c1 ZINC000510422570 918888683 /nfs/dbraw/zinc/88/86/83/918888683.db2.gz AVADSSRXBWCHKV-IRLDBZIGSA-N 1 0 415.541 4.235 20 30 HIEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[NH+](C)C ZINC000510554065 918998079 /nfs/dbraw/zinc/99/80/79/918998079.db2.gz SMVXXDFCIVCCHI-CVDCTZTESA-N 1 0 415.541 4.193 20 30 HIEDRO N#Cc1ccc(CNC(=O)C[N@H+]2CCC[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000511095171 919700006 /nfs/dbraw/zinc/70/00/06/919700006.db2.gz JFFAVGYUUZUIMX-IBGZPJMESA-N 1 0 401.432 4.073 20 30 HIEDRO C[C@@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000511476778 920086208 /nfs/dbraw/zinc/08/62/08/920086208.db2.gz OBRUGBMNNXHAGD-MSOLQXFVSA-N 1 0 419.529 4.052 20 30 HIEDRO N#CC(CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CO)C1)(c1ccccc1)c1ccccc1 ZINC000511658312 920324043 /nfs/dbraw/zinc/32/40/43/920324043.db2.gz XGOSGHZXSTVFJS-GHTZIAJQSA-N 1 0 402.460 4.379 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCCN(c4nccs4)CC3)c2)c1 ZINC000511760117 920441510 /nfs/dbraw/zinc/44/15/10/920441510.db2.gz VSEZTYUMEUWGGR-UHFFFAOYSA-N 1 0 404.539 4.306 20 30 HIEDRO N#Cc1cccc(C2(C(=O)N[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3c3ccccc3)CC2)c1 ZINC000511817760 920512863 /nfs/dbraw/zinc/51/28/63/920512863.db2.gz OZHYRDUJCVWBAE-IZZNHLLZSA-N 1 0 421.544 4.374 20 30 HIEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000511837662 920547042 /nfs/dbraw/zinc/54/70/42/920547042.db2.gz IIURYDDUQHXDND-GIVPXCGWSA-N 1 0 404.432 4.243 20 30 HIEDRO C=C(C)C[N@@H+](Cc1ccc(CO)o1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000512181395 920922547 /nfs/dbraw/zinc/92/25/47/920922547.db2.gz BLGRTUBNFOKGSB-LJQANCHMSA-N 1 0 404.510 4.319 20 30 HIEDRO COc1cc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000512229479 920981438 /nfs/dbraw/zinc/98/14/38/920981438.db2.gz RYKWZERNWKNOOQ-CVDCTZTESA-N 1 0 405.542 4.204 20 30 HIEDRO COc1ccc(C2(C[NH2+][C@H](C)C(=O)Nc3ccccc3C#N)CCCCC2)cc1OC ZINC000512233796 920988716 /nfs/dbraw/zinc/98/87/16/920988716.db2.gz LGOKKJITWCJYNF-GOSISDBHSA-N 1 0 421.541 4.394 20 30 HIEDRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000512290586 921043974 /nfs/dbraw/zinc/04/39/74/921043974.db2.gz ZRGDLUXXHDMMQM-IECBHUPTSA-N 1 0 409.578 4.240 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000513521700 921865661 /nfs/dbraw/zinc/86/56/61/921865661.db2.gz UIMWADWOLWIRSI-UHFFFAOYSA-N 1 0 424.593 4.216 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)c1ccc(F)cc1 ZINC000513535802 921875935 /nfs/dbraw/zinc/87/59/35/921875935.db2.gz ZXKWJLQFTBTJOJ-HSZRJFAPSA-N 1 0 417.484 4.309 20 30 HIEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000513534990 921876325 /nfs/dbraw/zinc/87/63/25/921876325.db2.gz REIWSCAGBZOJHV-DEOSSOPVSA-N 1 0 413.521 4.040 20 30 HIEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000513866175 922193590 /nfs/dbraw/zinc/19/35/90/922193590.db2.gz ORLFAANAKULODN-QFIPXVFZSA-N 1 0 408.521 4.141 20 30 HIEDRO C[C@@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)C(=O)N(CCC#N)c1ccccc1 ZINC000514820659 922814826 /nfs/dbraw/zinc/81/48/26/922814826.db2.gz VBYPGMVTDRFAOC-XXBNENTESA-N 1 0 403.526 4.006 20 30 HIEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c(OC)c1 ZINC000515013522 922876484 /nfs/dbraw/zinc/87/64/84/922876484.db2.gz HSTCBXINIKLUJR-KSZLIROESA-N 1 0 401.469 4.216 20 30 HIEDRO CN1CCO[C@H]([C@H](NCc2ccc(C#N)cc2C(F)(F)F)c2ccc(Cl)cc2)C1 ZINC000515564498 923181024 /nfs/dbraw/zinc/18/10/24/923181024.db2.gz PMDBIJYLQCCQMV-VQTJNVASSA-N 1 0 423.866 4.392 20 30 HIEDRO CN1CCO[C@H]([C@@H](NCc2ccc(C#N)cc2C(F)(F)F)c2ccc(Cl)cc2)C1 ZINC000515564493 923181611 /nfs/dbraw/zinc/18/16/11/923181611.db2.gz PMDBIJYLQCCQMV-PMACEKPBSA-N 1 0 423.866 4.392 20 30 HIEDRO CN1CCO[C@@H]([C@@H](NCc2ccc(C#N)cc2C(F)(F)F)c2ccc(Cl)cc2)C1 ZINC000515564497 923181641 /nfs/dbraw/zinc/18/16/41/923181641.db2.gz PMDBIJYLQCCQMV-UXHICEINSA-N 1 0 423.866 4.392 20 30 HIEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000516001207 923492451 /nfs/dbraw/zinc/49/24/51/923492451.db2.gz ZXRPUSRTKQVBNB-XMMPIXPASA-N 1 0 413.521 4.040 20 30 HIEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000516451114 923739625 /nfs/dbraw/zinc/73/96/25/923739625.db2.gz ANMOPEIUQKFHBO-HXUWFJFHSA-N 1 0 405.542 4.072 20 30 HIEDRO N#CCCn1cc(C[N@H+](CCc2ccccc2)Cc2cccnc2)c(-c2ccncc2)n1 ZINC000516513962 923772599 /nfs/dbraw/zinc/77/25/99/923772599.db2.gz AIWJQWHQKDPBNL-UHFFFAOYSA-N 1 0 422.536 4.499 20 30 HIEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000516543992 923789712 /nfs/dbraw/zinc/78/97/12/923789712.db2.gz PQMRWNSMLGXILA-LJQANCHMSA-N 1 0 405.542 4.406 20 30 HIEDRO N#Cc1ccc(Cc2cnc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)s2)cc1 ZINC000516674400 923839072 /nfs/dbraw/zinc/83/90/72/923839072.db2.gz CIJGUWKBQZYERK-UHFFFAOYSA-N 1 0 416.550 4.456 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccc(F)c1 ZINC000517060622 923982158 /nfs/dbraw/zinc/98/21/58/923982158.db2.gz KDWLIBIOLATQRU-QFIPXVFZSA-N 1 0 419.460 4.309 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2N2CCSCC2)CC1 ZINC000517323915 924101833 /nfs/dbraw/zinc/10/18/33/924101833.db2.gz CBRKVHOAQCKCTO-UHFFFAOYSA-N 1 0 408.999 4.055 20 30 HIEDRO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cccc(COc4ccc(C#N)cc4)c3)n1)OC2 ZINC000517435723 924184836 /nfs/dbraw/zinc/18/48/36/924184836.db2.gz QSQYRFRWPULPNR-XUZZJYLKSA-N 1 0 416.481 4.113 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000517726148 926815885 /nfs/dbraw/zinc/81/58/85/926815885.db2.gz LLSSNDFWJDYTBX-DEOSSOPVSA-N 1 0 423.557 4.239 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(-c3ccc4c(c3)CCO4)cc2)CC1 ZINC000518003667 926945031 /nfs/dbraw/zinc/94/50/31/926945031.db2.gz OOPGYRMKAILLID-UHFFFAOYSA-N 1 0 405.542 4.128 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1 ZINC000518022676 926961827 /nfs/dbraw/zinc/96/18/27/926961827.db2.gz OQSUPCSYHWUXIW-QGZVFWFLSA-N 1 0 424.520 4.089 20 30 HIEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000518391527 927236946 /nfs/dbraw/zinc/23/69/46/927236946.db2.gz BNPVVYRMPUNDPU-UHFFFAOYSA-N 1 0 414.509 4.469 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2nccn2-c2ccc(C(C)C)cc2)CC1 ZINC000518496834 927309143 /nfs/dbraw/zinc/30/91/43/927309143.db2.gz IYQGPDMQOIBJMQ-UHFFFAOYSA-N 1 0 412.603 4.245 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000518531013 927331369 /nfs/dbraw/zinc/33/13/69/927331369.db2.gz BVVMPDDCBBNNHM-IBGZPJMESA-N 1 0 414.550 4.276 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)CC1 ZINC000519285681 927863857 /nfs/dbraw/zinc/86/38/57/927863857.db2.gz GHLWNLWQFZZTND-UHFFFAOYSA-N 1 0 421.567 4.132 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1 ZINC000519342227 927889816 /nfs/dbraw/zinc/88/98/16/927889816.db2.gz WLKKQURYRRDLST-UHFFFAOYSA-N 1 0 404.514 4.218 20 30 HIEDRO CC(C)[N@H+](CC(=O)N[C@H](C)c1ccc(Br)cc1)Cc1ccc(C#N)cc1 ZINC000521196426 929056728 /nfs/dbraw/zinc/05/67/28/929056728.db2.gz GMPVJYTXBZMDMQ-MRXNPFEDSA-N 1 0 414.347 4.409 20 30 HIEDRO C[NH+](C)CCCOc1cccc(NC(=O)c2ccc(COc3ccccc3C#N)o2)c1 ZINC000521930695 929569376 /nfs/dbraw/zinc/56/93/76/929569376.db2.gz ZGFWLLSFLQDTOY-UHFFFAOYSA-N 1 0 419.481 4.313 20 30 HIEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000521961156 929598236 /nfs/dbraw/zinc/59/82/36/929598236.db2.gz ZYHFBLNTMYQZOT-HSZRJFAPSA-N 1 0 413.521 4.448 20 30 HIEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000524498525 929646476 /nfs/dbraw/zinc/64/64/76/929646476.db2.gz TUCXLFRRQWGETH-UHFFFAOYSA-N 1 0 417.475 4.139 20 30 HIEDRO N#Cc1ccc(OCc2cccc(C(=O)N3CCC([NH+]4CCCCC4)CC3)c2)cc1 ZINC000524548754 929678316 /nfs/dbraw/zinc/67/83/16/929678316.db2.gz WRKMAALDSVEPGL-UHFFFAOYSA-N 1 0 403.526 4.228 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](COCc2ccccc2)c2ccccc2)CC1 ZINC000524877974 929869128 /nfs/dbraw/zinc/86/91/28/929869128.db2.gz RZFVMWKTNFIRCL-XMMPIXPASA-N 1 0 407.558 4.284 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(OC(F)F)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000525248522 930105241 /nfs/dbraw/zinc/10/52/41/930105241.db2.gz MALZSXHAMMAPIW-HUUCEWRRSA-N 1 0 405.420 4.413 20 30 HIEDRO CCC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)Cc1ccc(C#N)cc1 ZINC000525275881 930126916 /nfs/dbraw/zinc/12/69/16/930126916.db2.gz RAAPGGYXRYFEQK-QHCPKHFHSA-N 1 0 421.541 4.151 20 30 HIEDRO CC1CC[NH+](CCc2cccc(NC(=O)C(=O)Nc3ccc(C#N)c(Cl)c3)c2)CC1 ZINC000526755389 930545552 /nfs/dbraw/zinc/54/55/52/930545552.db2.gz VOGPJSZOEFLLMI-UHFFFAOYSA-N 1 0 424.932 4.063 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCC2CCN(CC(F)(F)F)CC2)c(-c2ccccc2)n1 ZINC000531142014 930941043 /nfs/dbraw/zinc/94/10/43/930941043.db2.gz BSCDPPYOHILYQS-UHFFFAOYSA-N 1 0 419.495 4.218 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000532226644 931362344 /nfs/dbraw/zinc/36/23/44/931362344.db2.gz PLKZVAAAKKGQFG-IIBYNOLFSA-N 1 0 421.520 4.301 20 30 HIEDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)ccc1OCc1cccc(C#N)c1 ZINC000532959621 931713744 /nfs/dbraw/zinc/71/37/44/931713744.db2.gz STQNZOVGEHEWIU-NQIIRXRSSA-N 1 0 420.431 4.033 20 30 HIEDRO CCC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000532970307 931720330 /nfs/dbraw/zinc/72/03/30/931720330.db2.gz GRIDPWUTTIWQDK-WOSNLTMFSA-N 1 0 415.603 4.402 20 30 HIEDRO C[C@H]1CN([C@@H](C[NH2+]Cc2ccc(C#N)cc2F)c2c(F)cccc2Cl)CCO1 ZINC000532989716 931729141 /nfs/dbraw/zinc/72/91/41/931729141.db2.gz UTLLMQBWYISJAQ-XOBRGWDASA-N 1 0 405.876 4.041 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccccn2)c1C#N ZINC000533026585 931743366 /nfs/dbraw/zinc/74/33/66/931743366.db2.gz OIPSKGKOKOCIHU-QFIPXVFZSA-N 1 0 417.513 4.179 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000533054909 931755720 /nfs/dbraw/zinc/75/57/20/931755720.db2.gz CGTRNZXNNDWRLS-HSZRJFAPSA-N 1 0 408.546 4.083 20 30 HIEDRO C[N@H+](CCCCCc1cc(-c2ccccc2)no1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000533269636 931824558 /nfs/dbraw/zinc/82/45/58/931824558.db2.gz APTCYWHHJBQLDF-QHCPKHFHSA-N 1 0 402.498 4.084 20 30 HIEDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CCC(=O)Nc1sccc1C#N ZINC000533279679 931825882 /nfs/dbraw/zinc/82/58/82/931825882.db2.gz YPLVXQUPMBNQJA-UHFFFAOYSA-N 1 0 411.506 4.042 20 30 HIEDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000533291085 931830027 /nfs/dbraw/zinc/83/00/27/931830027.db2.gz AESDNNLFQWWLGL-HXUWFJFHSA-N 1 0 408.571 4.340 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(Nc2cccc(OC)c2)CC1 ZINC000533310821 931835706 /nfs/dbraw/zinc/83/57/06/931835706.db2.gz VTQYESOTVPJPRT-SFHVURJKSA-N 1 0 413.587 4.236 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000533382319 931854217 /nfs/dbraw/zinc/85/42/17/931854217.db2.gz JYSLTZMTBMPXHF-QGZVFWFLSA-N 1 0 408.571 4.407 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](c2ncccc2C)C(C)C)c1C#N ZINC000533518686 931892340 /nfs/dbraw/zinc/89/23/40/931892340.db2.gz UCWVYAANEDBGBQ-QFIPXVFZSA-N 1 0 419.529 4.247 20 30 HIEDRO C=CCn1c(SCC[C@@H]2CCC[N@H+]2C)nnc1-c1ccc(Br)cc1 ZINC000533886886 932081330 /nfs/dbraw/zinc/08/13/30/932081330.db2.gz CGZMLXCJTMDTJN-INIZCTEOSA-N 1 0 407.381 4.470 20 30 HIEDRO C=C[C@@H](CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1)c1ccccc1 ZINC000533936331 932110264 /nfs/dbraw/zinc/11/02/64/932110264.db2.gz AYQYYUQCMCTQNL-WMZHIEFXSA-N 1 0 405.542 4.151 20 30 HIEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-c3ccc(C(C)(C)C)cc3)o2)c1C#N ZINC000534055962 932233900 /nfs/dbraw/zinc/23/39/00/932233900.db2.gz GKUXXOBWQBDFIS-UHFFFAOYSA-N 1 0 405.502 4.243 20 30 HIEDRO CN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534195242 932325132 /nfs/dbraw/zinc/32/51/32/932325132.db2.gz DTHKZCSPYYOQNZ-NHCUHLMSSA-N 1 0 417.985 4.013 20 30 HIEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000534537606 932551010 /nfs/dbraw/zinc/55/10/10/932551010.db2.gz KMCIHJMDIFEJSY-IBGZPJMESA-N 1 0 406.939 4.061 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)sc2c1CCC2 ZINC000534689553 932660908 /nfs/dbraw/zinc/66/09/08/932660908.db2.gz AZUQYFOSPWMESB-INIZCTEOSA-N 1 0 415.946 4.244 20 30 HIEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534983995 932875599 /nfs/dbraw/zinc/87/55/99/932875599.db2.gz SAATXYQKXFHLPU-UHFFFAOYSA-N 1 0 417.553 4.230 20 30 HIEDRO Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535678297 933330122 /nfs/dbraw/zinc/33/01/22/933330122.db2.gz XXOZLDMYQCZNOQ-OXJNMPFZSA-N 1 0 400.885 4.474 20 30 HIEDRO C[NH+](C)Cc1ccc(CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)cc1F ZINC000535711458 933364960 /nfs/dbraw/zinc/36/49/60/933364960.db2.gz ZQJCCGXAHVXGAW-UHFFFAOYSA-N 1 0 417.484 4.268 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ncc(Br)s1 ZINC000535987958 933548421 /nfs/dbraw/zinc/54/84/21/933548421.db2.gz NEWNBKFRSXHEDJ-DGCLKSJQSA-N 1 0 409.328 4.236 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000562580126 945102921 /nfs/dbraw/zinc/10/29/21/945102921.db2.gz YBJKWABWGHFXHL-GHTZIAJQSA-N 1 0 404.432 4.272 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 ZINC000562580129 945103820 /nfs/dbraw/zinc/10/38/20/945103820.db2.gz YBJKWABWGHFXHL-WIYYLYMNSA-N 1 0 404.432 4.272 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCOCC2)c1C#N ZINC000537526135 938316236 /nfs/dbraw/zinc/31/62/36/938316236.db2.gz UFVHGTKYEOVBHD-JOCHJYFZSA-N 1 0 412.578 4.311 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@H]2C2CCOCC2)c1C#N ZINC000537526136 938316256 /nfs/dbraw/zinc/31/62/56/938316256.db2.gz UFVHGTKYEOVBHD-QFIPXVFZSA-N 1 0 412.578 4.311 20 30 HIEDRO Cc1nc(-c2cc3c(s2)CC[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C3)cs1 ZINC000537895674 938403076 /nfs/dbraw/zinc/40/30/76/938403076.db2.gz AFOLAKKEWQYZLT-UHFFFAOYSA-N 1 0 408.552 4.439 20 30 HIEDRO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000537986748 938449882 /nfs/dbraw/zinc/44/98/82/938449882.db2.gz LOACYCPCNWOQAC-OAHLLOKOSA-N 1 0 420.431 4.081 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCN(CCCc3ccccc3)C2=O)CC1 ZINC000538017375 938463546 /nfs/dbraw/zinc/46/35/46/938463546.db2.gz DNINSWZDIKBJNF-MYIFBMMKSA-N 1 0 401.554 4.214 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc(OCc2ccccn2)c1 ZINC000538152248 938524760 /nfs/dbraw/zinc/52/47/60/938524760.db2.gz VRDVYBPLOBJGPJ-SFHVURJKSA-N 1 0 400.482 4.212 20 30 HIEDRO CCCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)cc1OC ZINC000538153666 938525385 /nfs/dbraw/zinc/52/53/85/938525385.db2.gz ZPZNMEZSNHYCDY-AWEZNQCLSA-N 1 0 401.532 4.323 20 30 HIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)c(C#N)c1C ZINC000538155811 938526232 /nfs/dbraw/zinc/52/62/32/938526232.db2.gz PZBKRUZLLPNLRE-IAGOWNOFSA-N 1 0 418.497 4.420 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1C#N ZINC000538168909 938533566 /nfs/dbraw/zinc/53/35/66/938533566.db2.gz XBPJNZQWZOTLMF-OAHLLOKOSA-N 1 0 408.502 4.110 20 30 HIEDRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000538178054 938538928 /nfs/dbraw/zinc/53/89/28/938538928.db2.gz PCNSTVQBKPYSNJ-DHLKQENFSA-N 1 0 420.484 4.019 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)ccc1Cl ZINC000538198844 938550667 /nfs/dbraw/zinc/55/06/67/938550667.db2.gz SXEIHKQGWSEMGJ-WMZHIEFXSA-N 1 0 411.933 4.263 20 30 HIEDRO COCCSc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000538205702 938553621 /nfs/dbraw/zinc/55/36/21/938553621.db2.gz ZEUHAEIHHCQEES-HUUCEWRRSA-N 1 0 401.532 4.184 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000538211589 938558439 /nfs/dbraw/zinc/55/84/39/938558439.db2.gz UUCAOECSAHXKNS-QGZVFWFLSA-N 1 0 409.555 4.381 20 30 HIEDRO Cc1ccccc1[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000538390317 938609614 /nfs/dbraw/zinc/60/96/14/938609614.db2.gz ORIWHFAFNSVFIX-QFIPXVFZSA-N 1 0 400.444 4.222 20 30 HIEDRO C[C@H]([NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cccc(C#N)c1 ZINC000538395563 938610486 /nfs/dbraw/zinc/61/04/86/938610486.db2.gz PHRDJXKYSWITSH-HRAATJIYSA-N 1 0 403.448 4.301 20 30 HIEDRO C=CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCC ZINC000538717010 938688840 /nfs/dbraw/zinc/68/88/40/938688840.db2.gz WOTVAJJRWNISHK-DOTOQJQBSA-N 1 0 411.384 4.327 20 30 HIEDRO C[C@H](c1cccnc1)N1CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000538739576 938697834 /nfs/dbraw/zinc/69/78/34/938697834.db2.gz AZJRYPWDYNIGHH-OAQYLSRUSA-N 1 0 412.537 4.411 20 30 HIEDRO CC[C@@H](c1ccncc1)[N@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000538787976 938711620 /nfs/dbraw/zinc/71/16/20/938711620.db2.gz CHHHITNKZNHTJX-QFIPXVFZSA-N 1 0 419.529 4.425 20 30 HIEDRO CC[N@H+](CCC1CCN([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1)CC(C)C ZINC000539098541 938802806 /nfs/dbraw/zinc/80/28/06/938802806.db2.gz UBUDYQVAKDXUMG-GOSISDBHSA-N 1 0 402.583 4.175 20 30 HIEDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)ccc1OC(C)C ZINC000539252438 938826562 /nfs/dbraw/zinc/82/65/62/938826562.db2.gz FGVIRVIDYRNYBL-CQSZACIVSA-N 1 0 401.894 4.297 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H](CCCO)c2ccccc2)c1C#N ZINC000539294182 938835394 /nfs/dbraw/zinc/83/53/94/938835394.db2.gz YEZULHOOKRWKEG-QFIPXVFZSA-N 1 0 408.546 4.134 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000539339272 938844676 /nfs/dbraw/zinc/84/46/76/938844676.db2.gz PNFSKRQAPATFIC-LEWJYISDSA-N 1 0 415.541 4.475 20 30 HIEDRO COc1ccc(Cl)cc1N1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000539496299 938868520 /nfs/dbraw/zinc/86/85/20/938868520.db2.gz GNKJRLZTHHBKMX-QFIPXVFZSA-N 1 0 424.976 4.053 20 30 HIEDRO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+][C@@H](C)c3cccc(C#N)c3)c2)cc1 ZINC000539495181 938868566 /nfs/dbraw/zinc/86/85/66/938868566.db2.gz HBHRPQMGFCZWJL-KRWDZBQOSA-N 1 0 421.522 4.218 20 30 HIEDRO COc1sc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1Br ZINC000539505403 938870208 /nfs/dbraw/zinc/87/02/08/938870208.db2.gz YVPHKRUSSDNUQB-CYBMUJFWSA-N 1 0 424.339 4.289 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1coc(-c2ccccc2Cl)n1 ZINC000539609945 938887532 /nfs/dbraw/zinc/88/75/32/938887532.db2.gz SFXVKPSJXQMSRB-UHFFFAOYSA-N 1 0 408.889 4.071 20 30 HIEDRO C=CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1OC ZINC000539818817 938942018 /nfs/dbraw/zinc/94/20/18/938942018.db2.gz NVWHFSVGTSTAMM-NVXWUHKLSA-N 1 0 411.384 4.327 20 30 HIEDRO C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000540179332 939107450 /nfs/dbraw/zinc/10/74/50/939107450.db2.gz YNOOIRXJVKIJAB-SRWJYRBRSA-N 1 0 422.485 4.163 20 30 HIEDRO N#Cc1ccc(C[NH2+]C2(c3ccc4c(c3)OCCO4)CCCC2)c(OC(F)F)c1 ZINC000540341755 939200252 /nfs/dbraw/zinc/20/02/52/939200252.db2.gz UFMQUECNFXOKPT-UHFFFAOYSA-N 1 0 400.425 4.490 20 30 HIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(OCc2ccccn2)c1 ZINC000540351726 939203855 /nfs/dbraw/zinc/20/38/55/939203855.db2.gz LZGQNUBRQNDRMS-MRXNPFEDSA-N 1 0 406.511 4.273 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000540353726 939205096 /nfs/dbraw/zinc/20/50/96/939205096.db2.gz FEQGDUIIGHKHOU-NNZNXZITSA-N 1 0 410.562 4.005 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)sc2c1CCCC2 ZINC000540389975 939227843 /nfs/dbraw/zinc/22/78/43/939227843.db2.gz KYAOONLPPCYKEZ-VGOFRKELSA-N 1 0 409.555 4.195 20 30 HIEDRO Cc1cccc(COc2ccc([C@H](C)[NH2+]CC(=O)NCc3cccc(C#N)c3)cc2)c1 ZINC000540400085 939234803 /nfs/dbraw/zinc/23/48/03/939234803.db2.gz AEUVXINDECWRND-FQEVSTJZSA-N 1 0 413.521 4.413 20 30 HIEDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccc(C#N)cc1 ZINC000540608802 939318770 /nfs/dbraw/zinc/31/87/70/939318770.db2.gz URMVDCBSGMHHGE-OAHLLOKOSA-N 1 0 400.320 4.008 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(Cc4nnc5ccccn54)cc3)CC2)cc1 ZINC000540973247 939422392 /nfs/dbraw/zinc/42/23/92/939422392.db2.gz LPCXPZYSHFWLIP-UHFFFAOYSA-N 1 0 422.536 4.268 20 30 HIEDRO COCCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000541096518 939458972 /nfs/dbraw/zinc/45/89/72/939458972.db2.gz ZKBYHFANYNYAPN-IBGZPJMESA-N 1 0 420.557 4.086 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000541118617 939466951 /nfs/dbraw/zinc/46/69/51/939466951.db2.gz SZQGXFYXVFYXPC-ZPJKGSQLSA-N 1 0 411.571 4.027 20 30 HIEDRO C[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541158574 939480917 /nfs/dbraw/zinc/48/09/17/939480917.db2.gz HTNFBMWOHUBGGO-GKVQRAMASA-N 1 0 402.542 4.412 20 30 HIEDRO C[C@@H](C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1nccs1 ZINC000541379521 939501545 /nfs/dbraw/zinc/50/15/45/939501545.db2.gz RNQUUXXKHFPHSH-KGLIPLIRSA-N 1 0 402.589 4.265 20 30 HIEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1ccc(Cl)c(C#N)c1 ZINC000541598675 939563528 /nfs/dbraw/zinc/56/35/28/939563528.db2.gz AERSFVGYJRPMHE-HXUWFJFHSA-N 1 0 419.916 4.416 20 30 HIEDRO N#Cc1cc(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC000541600910 939565306 /nfs/dbraw/zinc/56/53/06/939565306.db2.gz CSIGQIHBLJTNLT-LJQANCHMSA-N 1 0 405.889 4.107 20 30 HIEDRO CC[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1c(C)nn(C)c1C ZINC000541602827 939565917 /nfs/dbraw/zinc/56/59/17/939565917.db2.gz AHVIBORMSXGLSX-KSSFIOAISA-N 1 0 413.591 4.307 20 30 HIEDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1c(C)nn(C)c1C ZINC000541602828 939566307 /nfs/dbraw/zinc/56/63/07/939566307.db2.gz AHVIBORMSXGLSX-RDTXWAMCSA-N 1 0 413.591 4.307 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000541856394 939647487 /nfs/dbraw/zinc/64/74/87/939647487.db2.gz VSNXZQPRFGWHLI-UHFFFAOYSA-N 1 0 400.482 4.306 20 30 HIEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccccc1 ZINC000541908197 939651401 /nfs/dbraw/zinc/65/14/01/939651401.db2.gz SSQCVIPHWNCROZ-MRXNPFEDSA-N 1 0 420.492 4.134 20 30 HIEDRO CC(C)COC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccco1 ZINC000542556081 939843005 /nfs/dbraw/zinc/84/30/05/939843005.db2.gz LQJULIHRCAKECF-SFHVURJKSA-N 1 0 415.559 4.424 20 30 HIEDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)Nc3sccc3C#N)s2)cc1 ZINC000542570155 939844904 /nfs/dbraw/zinc/84/49/04/939844904.db2.gz VJYRGLFAHMAJLM-GFCCVEGCSA-N 1 0 412.540 4.350 20 30 HIEDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000542704640 939855454 /nfs/dbraw/zinc/85/54/54/939855454.db2.gz NVVXLSRCOMSSKB-LJQANCHMSA-N 1 0 404.535 4.486 20 30 HIEDRO N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1Cl ZINC000542719664 939856488 /nfs/dbraw/zinc/85/64/88/939856488.db2.gz STPQCGUVGCMSGN-QGZVFWFLSA-N 1 0 407.823 4.235 20 30 HIEDRO Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000542783985 939860615 /nfs/dbraw/zinc/86/06/15/939860615.db2.gz QLRHQRUZVKADPJ-UHFFFAOYSA-N 1 0 402.473 4.461 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2C[C@H](C)[C@@H]3CCCC[C@H]32)c1C#N ZINC000542976484 939889997 /nfs/dbraw/zinc/88/99/97/939889997.db2.gz ZCRFRXLQXMNHGQ-XUEUYAKLSA-N 1 0 408.546 4.457 20 30 HIEDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000543363072 940042191 /nfs/dbraw/zinc/04/21/91/940042191.db2.gz UQVYCALZJNUTAZ-XXBNENTESA-N 1 0 402.542 4.285 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000543363322 940042585 /nfs/dbraw/zinc/04/25/85/940042585.db2.gz IOBDOUDPZPQAQY-YADARESESA-N 1 0 402.542 4.143 20 30 HIEDRO C=CC[N@H+](Cc1cn(C)nc1C1CCCCC1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000543397105 940051001 /nfs/dbraw/zinc/05/10/01/940051001.db2.gz YXMABDYWZMLENP-SFHVURJKSA-N 1 0 405.550 4.193 20 30 HIEDRO CC[C@@H]([NH2+]CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)c1nccs1 ZINC000543455135 940068236 /nfs/dbraw/zinc/06/82/36/940068236.db2.gz TVSCCDUJJUPPKC-GOSISDBHSA-N 1 0 411.531 4.144 20 30 HIEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000543460292 940069963 /nfs/dbraw/zinc/06/99/63/940069963.db2.gz KUWNIWIEGXMZKB-GOEBONIOSA-N 1 0 421.467 4.048 20 30 HIEDRO COC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(C)o1 ZINC000543486089 940080115 /nfs/dbraw/zinc/08/01/15/940080115.db2.gz SHMXUDXRDVFYGM-KRWDZBQOSA-N 1 0 401.532 4.096 20 30 HIEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000543518795 940093955 /nfs/dbraw/zinc/09/39/55/940093955.db2.gz DTNNVRCIDTWQBZ-MRXNPFEDSA-N 1 0 404.539 4.266 20 30 HIEDRO C[C@H]1CN(Cc2ccccc2NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000543759035 940176915 /nfs/dbraw/zinc/17/69/15/940176915.db2.gz WMDINOCLTZAFON-SFTDATJTSA-N 1 0 418.585 4.244 20 30 HIEDRO C[C@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@@H]21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543869894 940217498 /nfs/dbraw/zinc/21/74/98/940217498.db2.gz HLBCVPITINEMJB-NWVWQQAFSA-N 1 0 403.526 4.046 20 30 HIEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)n2)c(F)c1 ZINC000543892026 940229951 /nfs/dbraw/zinc/22/99/51/940229951.db2.gz FHRMIGAGUURCSW-LJQANCHMSA-N 1 0 424.524 4.003 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1)C(C)C ZINC000544231848 940362289 /nfs/dbraw/zinc/36/22/89/940362289.db2.gz WFVMEFCVOHAWFQ-GGAORHGYSA-N 1 0 412.622 4.308 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC(OC[C@@H]4CCOC4)CC3)c2)c1 ZINC000544370909 940404401 /nfs/dbraw/zinc/40/44/01/940404401.db2.gz OQONEHGVQUMQMJ-HSZRJFAPSA-N 1 0 406.526 4.155 20 30 HIEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1)CC(F)(F)F ZINC000544608617 940489579 /nfs/dbraw/zinc/48/95/79/940489579.db2.gz YXPJWMJDKMXIBH-AWEZNQCLSA-N 1 0 416.381 4.473 20 30 HIEDRO C=CCOc1c(Br)cc(CNc2cc(CC#N)ccn2)cc1OCC ZINC000545218996 940556625 /nfs/dbraw/zinc/55/66/25/940556625.db2.gz FEZHKMBKZAIYNC-UHFFFAOYSA-N 1 0 402.292 4.486 20 30 HIEDRO CS[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@@H]1[NH+]1CCCC1 ZINC000545332458 940562132 /nfs/dbraw/zinc/56/21/32/940562132.db2.gz NIODXPAEIGBTSL-VXKWHMMOSA-N 1 0 407.539 4.002 20 30 HIEDRO COc1cc(C#N)ccc1OCc1nc(-c2ccccc2C[NH+]2CCCCC2)no1 ZINC000546407861 940813001 /nfs/dbraw/zinc/81/30/01/940813001.db2.gz DKKGIIXLUFYQDI-UHFFFAOYSA-N 1 0 404.470 4.182 20 30 HIEDRO C[NH+](C)CC1(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CCCC1 ZINC000546836808 940891493 /nfs/dbraw/zinc/89/14/93/940891493.db2.gz VTEPKXQALGDQEC-UHFFFAOYSA-N 1 0 419.529 4.054 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000546917707 940912349 /nfs/dbraw/zinc/91/23/49/940912349.db2.gz BLHYEDUJUJMYLX-GOSISDBHSA-N 1 0 422.573 4.181 20 30 HIEDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)C1 ZINC000548212099 941092124 /nfs/dbraw/zinc/09/21/24/941092124.db2.gz ZQKQULXWXOWMJQ-GOSISDBHSA-N 1 0 412.921 4.206 20 30 HIEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000549248861 941174002 /nfs/dbraw/zinc/17/40/02/941174002.db2.gz ZJVDKCFVFGZDBC-IBGZPJMESA-N 1 0 419.577 4.079 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000549286053 941176912 /nfs/dbraw/zinc/17/69/12/941176912.db2.gz QQYMSWPDLNWTAH-IFMALSPDSA-N 1 0 418.589 4.484 20 30 HIEDRO C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549637481 941202307 /nfs/dbraw/zinc/20/23/07/941202307.db2.gz AHAJSUOVHWFMRF-NRFANRHFSA-N 1 0 409.578 4.060 20 30 HIEDRO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000549644196 941202660 /nfs/dbraw/zinc/20/26/60/941202660.db2.gz KQQPUSUISUKRDR-SFHVURJKSA-N 1 0 401.986 4.267 20 30 HIEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000549680229 941204224 /nfs/dbraw/zinc/20/42/24/941204224.db2.gz CQJUIBVGIFHKKM-LJQANCHMSA-N 1 0 420.561 4.344 20 30 HIEDRO C[C@H]([NH2+]C1(Cc2ccc(F)cc2)CCOCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000549785689 941207406 /nfs/dbraw/zinc/20/74/06/941207406.db2.gz DFUNWZRCPINJIC-HNNXBMFYSA-N 1 0 415.896 4.059 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)c(-c2ccncc2)n1 ZINC000549825449 941208722 /nfs/dbraw/zinc/20/87/22/941208722.db2.gz QYXUADUJSDBZTF-SFHVURJKSA-N 1 0 403.452 4.413 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccc([C@@H](C)CC)cc2)C(C)C)CC1 ZINC000550125688 941287341 /nfs/dbraw/zinc/28/73/41/941287341.db2.gz VBSUBCAHRPGLMA-WMZHIEFXSA-N 1 0 413.606 4.170 20 30 HIEDRO N#Cc1ccc(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)cc1 ZINC000550139573 941288748 /nfs/dbraw/zinc/28/87/48/941288748.db2.gz OKUQAPSIMKHBRV-UHFFFAOYSA-N 1 0 403.295 4.341 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)CC)cc2)ccc1OC ZINC000551226864 941431463 /nfs/dbraw/zinc/43/14/63/941431463.db2.gz BCQAVIAWDWUJNA-QGZVFWFLSA-N 1 0 403.544 4.295 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1Cl ZINC000551553276 941500386 /nfs/dbraw/zinc/50/03/86/941500386.db2.gz VICAMHQCPWHJEQ-UHFFFAOYSA-N 1 0 403.313 4.016 20 30 HIEDRO C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000551813464 941550893 /nfs/dbraw/zinc/55/08/93/941550893.db2.gz UGQCRMFWCIYWAE-CQSZACIVSA-N 1 0 403.404 4.453 20 30 HIEDRO C=CC[N@H+](Cc1c(C)nn(-c2ccccc2)c1C)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000552243085 941611983 /nfs/dbraw/zinc/61/19/83/941611983.db2.gz PPDDSGIUVAHSKH-LJQANCHMSA-N 1 0 413.529 4.214 20 30 HIEDRO C=CCC[C@@H]([NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)c1ccco1 ZINC000552246215 941612959 /nfs/dbraw/zinc/61/29/59/941612959.db2.gz MZDUEQRPIYUPMA-OAQYLSRUSA-N 1 0 402.560 4.339 20 30 HIEDRO C[C@H]1C[C@@H](CCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000552372243 941647746 /nfs/dbraw/zinc/64/77/46/941647746.db2.gz ZUHQSJNFTJLDOE-AZUAARDMSA-N 1 0 405.517 4.146 20 30 HIEDRO C[C@@H]1C[C@@H](CCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000552372246 941647862 /nfs/dbraw/zinc/64/78/62/941647862.db2.gz ZUHQSJNFTJLDOE-UYAOXDASSA-N 1 0 405.517 4.146 20 30 HIEDRO N#Cc1cccc(OC2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)c1 ZINC000552467079 941678292 /nfs/dbraw/zinc/67/82/92/941678292.db2.gz WYUYWAGEJUMYID-UHFFFAOYSA-N 1 0 403.526 4.228 20 30 HIEDRO C=CCc1ccc(OC[C@H](O)C[NH2+]Cc2nc3cc(Cl)ccc3s2)c(OC)c1 ZINC000552838026 941783191 /nfs/dbraw/zinc/78/31/91/941783191.db2.gz GKSXXBICTVPMKC-MRXNPFEDSA-N 1 0 418.946 4.216 20 30 HIEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000552989504 941812530 /nfs/dbraw/zinc/81/25/30/941812530.db2.gz CFBVJTBWSDDQCL-FQEVSTJZSA-N 1 0 416.997 4.199 20 30 HIEDRO N#Cc1cccc(COc2cccc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)c2)c1 ZINC000553313459 941866093 /nfs/dbraw/zinc/86/60/93/941866093.db2.gz MQBRXGFDXICPGQ-QFIPXVFZSA-N 1 0 421.566 4.293 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1)C1CC1 ZINC000553543289 941905694 /nfs/dbraw/zinc/90/56/94/941905694.db2.gz VUPKGFFIKUVKEL-UHFFFAOYSA-N 1 0 421.516 4.365 20 30 HIEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000553766885 941963027 /nfs/dbraw/zinc/96/30/27/941963027.db2.gz SXPYTPPDEZLWKS-CVEARBPZSA-N 1 0 403.523 4.140 20 30 HIEDRO C=CCOc1ccc(CNC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000553899782 941994184 /nfs/dbraw/zinc/99/41/84/941994184.db2.gz RTJUENBYBOGYIS-RUZDIDTESA-N 1 0 405.542 4.059 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000554177691 942058733 /nfs/dbraw/zinc/05/87/33/942058733.db2.gz VXQBJPNERXPHFN-WMZHIEFXSA-N 1 0 420.557 4.314 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)ccc1Cl ZINC000554283761 942090878 /nfs/dbraw/zinc/09/08/78/942090878.db2.gz WAARAPWYYXHKMW-FQEVSTJZSA-N 1 0 420.340 4.262 20 30 HIEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000554399732 942126766 /nfs/dbraw/zinc/12/67/66/942126766.db2.gz JJNQUMPKDCVJIJ-AUSIDOKSSA-N 1 0 418.541 4.422 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(OCc2ccncc2)cc1 ZINC000554875375 942304328 /nfs/dbraw/zinc/30/43/28/942304328.db2.gz YKICMLNMWXBQHS-UHFFFAOYSA-N 1 0 400.526 4.096 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000555237832 942440562 /nfs/dbraw/zinc/44/05/62/942440562.db2.gz QUSJREQMTRHMMT-JSXRDJHFSA-N 1 0 401.599 4.043 20 30 HIEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000555256012 942449093 /nfs/dbraw/zinc/44/90/93/942449093.db2.gz SAYMJKSBUJBEEK-LEWJYISDSA-N 1 0 411.594 4.323 20 30 HIEDRO N#C[C@H]1CC[C@@H]([NH+]2CCC(c3nc(-c4ccccc4Br)no3)CC2)C1 ZINC000555461270 942562198 /nfs/dbraw/zinc/56/21/98/942562198.db2.gz YGFVKRWPQOGEBK-DZGCQCFKSA-N 1 0 401.308 4.371 20 30 HIEDRO C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1=O ZINC000555608328 942667602 /nfs/dbraw/zinc/66/76/02/942667602.db2.gz FTHIGPVGQBVFPY-HOYKHHGWSA-N 1 0 420.532 4.008 20 30 HIEDRO N#Cc1ccc2ncc(C[NH2+][C@@H](c3cccc(C(F)(F)F)c3)C3CCOCC3)n2c1 ZINC000556607754 942912977 /nfs/dbraw/zinc/91/29/77/942912977.db2.gz AXICRJAGFYUCEH-OAQYLSRUSA-N 1 0 414.431 4.482 20 30 HIEDRO CN1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556884549 942950067 /nfs/dbraw/zinc/95/00/67/942950067.db2.gz CSYMINKJSTZSQN-DHIUTWEWSA-N 1 0 412.940 4.355 20 30 HIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000556896953 942956491 /nfs/dbraw/zinc/95/64/91/942956491.db2.gz IBSVLHDTLFHPJZ-LGPLSSKUSA-N 1 0 403.570 4.464 20 30 HIEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556954531 942978137 /nfs/dbraw/zinc/97/81/37/942978137.db2.gz BEKJQVINVXSMDD-LIRRHRJNSA-N 1 0 406.288 4.427 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000557453097 943136847 /nfs/dbraw/zinc/13/68/47/943136847.db2.gz ZNBFWLHOOPFREW-HXUWFJFHSA-N 1 0 415.607 4.450 20 30 HIEDRO COc1ccccc1O[C@H]1CCC[N@H+](Cc2ccc(OC)c(OCCCC#N)c2)C1 ZINC000557521115 943188512 /nfs/dbraw/zinc/18/85/12/943188512.db2.gz LRUPPBOWICYXMZ-FQEVSTJZSA-N 1 0 410.514 4.430 20 30 HIEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccco1 ZINC000557910238 943326963 /nfs/dbraw/zinc/32/69/63/943326963.db2.gz QVBIKOAQLRGLQW-QFBILLFUSA-N 1 0 407.470 4.182 20 30 HIEDRO COC[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cccc(Cl)c1F ZINC000558257461 943463119 /nfs/dbraw/zinc/46/31/19/943463119.db2.gz MZHWWYGVQMYTRW-LADRWXRNSA-N 1 0 403.885 4.413 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000558963517 943772132 /nfs/dbraw/zinc/77/21/32/943772132.db2.gz OFHBAGLAPASRDC-UHFFFAOYSA-N 1 0 423.605 4.165 20 30 HIEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000559056035 943817806 /nfs/dbraw/zinc/81/78/06/943817806.db2.gz LHVBEDBTUSTDFI-HNNXBMFYSA-N 1 0 416.447 4.134 20 30 HIEDRO N#Cc1cc(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cnc1C(F)(F)F ZINC000559323548 943896441 /nfs/dbraw/zinc/89/64/41/943896441.db2.gz TXDRRBKCKSONIG-UHFFFAOYSA-N 1 0 416.447 4.278 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000560175035 944186499 /nfs/dbraw/zinc/18/64/99/944186499.db2.gz ZSLDZPZRHWVUFV-UHFFFAOYSA-N 1 0 422.863 4.409 20 30 HIEDRO N#Cc1cc(F)cc(C2(C(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)CC2)c1 ZINC000560423837 944231018 /nfs/dbraw/zinc/23/10/18/944231018.db2.gz YVKTUFYQQRJZSZ-OAQYLSRUSA-N 1 0 411.908 4.336 20 30 HIEDRO COc1ccc(CN2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1OCCCC#N ZINC000560554061 944252208 /nfs/dbraw/zinc/25/22/08/944252208.db2.gz QAUMDMNUFWWHOH-NRFANRHFSA-N 1 0 407.558 4.474 20 30 HIEDRO C[C@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000561057470 944420059 /nfs/dbraw/zinc/42/00/59/944420059.db2.gz SVBVLHHIGHUYCW-ZWKOTPCHSA-N 1 0 416.997 4.055 20 30 HIEDRO C=CCn1c(CC2CC2)nnc1N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000562027312 944901620 /nfs/dbraw/zinc/90/16/20/944901620.db2.gz HDLFNJHKEATQPK-UHFFFAOYSA-N 1 0 419.495 4.148 20 30 HIEDRO CN1C(=O)C[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000562200107 945016844 /nfs/dbraw/zinc/01/68/44/945016844.db2.gz COZPTXPNAXJOFK-HKUYNNGSSA-N 1 0 407.823 4.292 20 30 HIEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000564284670 945495837 /nfs/dbraw/zinc/49/58/37/945495837.db2.gz JOVZKMCNUHNDPX-CEMLEFRQSA-N 1 0 418.459 4.437 20 30 HIEDRO Cc1cc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000564805974 945761384 /nfs/dbraw/zinc/76/13/84/945761384.db2.gz ZUNHRAVUMBUZPP-UHFFFAOYSA-N 1 0 420.532 4.207 20 30 HIEDRO C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)CC1 ZINC000565127736 945781565 /nfs/dbraw/zinc/78/15/65/945781565.db2.gz XHAYXELCRDCEGE-UHFFFAOYSA-N 1 0 403.983 4.084 20 30 HIEDRO Cn1cc(-c2ccc3c(c2)C(C)(C)CN3CC2C[NH+](Cc3ccc(C#N)cc3)C2)cn1 ZINC000565258328 945793674 /nfs/dbraw/zinc/79/36/74/945793674.db2.gz HMGLNZGMPALGHE-UHFFFAOYSA-N 1 0 411.553 4.188 20 30 HIEDRO C[N@H+](CCc1cccc(NC(=O)C(=O)Nc2scc(C(C)(C)C)c2C#N)c1)C1CC1 ZINC000565259952 945793760 /nfs/dbraw/zinc/79/37/60/945793760.db2.gz RCDUJCDMZKPKEC-UHFFFAOYSA-N 1 0 424.570 4.131 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000565767052 945881083 /nfs/dbraw/zinc/88/10/83/945881083.db2.gz KTCNGEIOSLUFJG-LAUBAEHRSA-N 1 0 420.513 4.450 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nc(-c3ccc(SC)cc3)ns2)CC1 ZINC000569292368 946852476 /nfs/dbraw/zinc/85/24/76/946852476.db2.gz LNXPTNPFLIFZPY-UHFFFAOYSA-N 1 0 403.577 4.089 20 30 HIEDRO CSc1nc(C2CC2)cc(-c2nc(-c3ccc(OCC[NH+](C)C)cc3)no2)c1C#N ZINC000569528709 946886839 /nfs/dbraw/zinc/88/68/39/946886839.db2.gz YTGGEOHOHIRQOZ-UHFFFAOYSA-N 1 0 421.526 4.210 20 30 HIEDRO N#Cc1cc(F)cc(C2(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)CC2)c1 ZINC000570351800 947212977 /nfs/dbraw/zinc/21/29/77/947212977.db2.gz WBPVAILYACEWGM-UHFFFAOYSA-N 1 0 407.489 4.232 20 30 HIEDRO COc1cc(CNC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)ccc1C#N ZINC000571458385 947656760 /nfs/dbraw/zinc/65/67/60/947656760.db2.gz BRPCZGUJXORITJ-UHFFFAOYSA-N 1 0 420.557 4.331 20 30 HIEDRO C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)Oc1cccc(Br)c1 ZINC000572065943 947838000 /nfs/dbraw/zinc/83/80/00/947838000.db2.gz IBZZZLVZBOZPRN-INIZCTEOSA-N 1 0 414.347 4.347 20 30 HIEDRO C[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CCCCC1)C(=O)N(C)CCC#N ZINC000572166697 947854775 /nfs/dbraw/zinc/85/47/75/947854775.db2.gz HTMMVNOLBJMJSG-MRXNPFEDSA-N 1 0 406.368 4.001 20 30 HIEDRO N#Cc1cc(Oc2ccc(NC(=O)NC3CC[NH+](C4CCCC4)CC3)cc2)ccn1 ZINC000572686414 947987166 /nfs/dbraw/zinc/98/71/66/947987166.db2.gz JJJDHKLPRXKNKE-UHFFFAOYSA-N 1 0 405.502 4.274 20 30 HIEDRO N#Cc1ccc(NC(=O)N[C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1F ZINC000573848686 948310441 /nfs/dbraw/zinc/31/04/41/948310441.db2.gz XVHORKGWJJVOEO-KRWDZBQOSA-N 1 0 406.383 4.112 20 30 HIEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H]1c1ccccc1 ZINC000574006530 948348377 /nfs/dbraw/zinc/34/83/77/948348377.db2.gz SUUNPIRDSQUYRP-PKTZIBPZSA-N 1 0 413.481 4.312 20 30 HIEDRO Cc1cc(N2CC[C@@H]([NH2+][C@@H]3CCc4ccc(C#N)cc43)C2=O)ccc1Br ZINC000574442173 948444078 /nfs/dbraw/zinc/44/40/78/948444078.db2.gz IYJSPRXYWCEGNR-WOJBJXKFSA-N 1 0 410.315 4.012 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1OC ZINC000575164214 948615145 /nfs/dbraw/zinc/61/51/45/948615145.db2.gz ZRBDIVGHEPTLCU-MAUKXSAKSA-N 1 0 409.368 4.081 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000575839404 948735449 /nfs/dbraw/zinc/73/54/49/948735449.db2.gz GQDGQNYMHGJQCV-GOSISDBHSA-N 1 0 413.541 4.198 20 30 HIEDRO CC(C)c1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c2ccccc2n1 ZINC000575950626 948796255 /nfs/dbraw/zinc/79/62/55/948796255.db2.gz FAVNNZZVADXNFP-UHFFFAOYSA-N 1 0 400.526 4.434 20 30 HIEDRO N#Cc1cc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc(Cl)n1 ZINC001164629777 719076102 /nfs/dbraw/zinc/07/61/02/719076102.db2.gz YZQKCHIDSALNDA-APWZRJJASA-N 1 0 402.876 4.252 20 30 HIEDRO N#Cc1cccc(-c2cc(C(F)(F)N3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)cnc2Cl)c1 ZINC001164625897 719127114 /nfs/dbraw/zinc/12/71/14/719127114.db2.gz ZGKWGNGEFRXNFI-CRAIPNDOSA-N 1 0 420.866 4.332 20 30 HIEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ncc(CC#N)cc2Cl)CC3)cs1 ZINC001164691273 719815036 /nfs/dbraw/zinc/81/50/36/719815036.db2.gz CQEJAMSHPUZIGL-UHFFFAOYSA-N 1 0 401.967 4.201 20 30 HIEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc(-c3cccs3)ccc1C#N)[C@@H]2C ZINC001164861955 721005661 /nfs/dbraw/zinc/00/56/61/721005661.db2.gz RUEISKJJYLPXTQ-MRXNPFEDSA-N 1 0 406.559 4.300 20 30 HIEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(Cl)cc(C)c2C#N)CC1 ZINC001165020313 721838269 /nfs/dbraw/zinc/83/82/69/721838269.db2.gz HUACQOPCASQEKB-UHFFFAOYSA-N 1 0 414.937 4.033 20 30 HIEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4ccc(C5(C#N)CCC5)cn4)CC3)C2)cc1 ZINC001164938965 721926030 /nfs/dbraw/zinc/92/60/30/721926030.db2.gz DSQNFJBRDYDOQR-UHFFFAOYSA-N 1 0 416.569 4.207 20 30 HIEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C#N)c2ccccc2Cl)C1 ZINC000436048663 861337426 /nfs/dbraw/zinc/33/74/26/861337426.db2.gz WHUZZEJZKFIHHD-OAQYLSRUSA-N 1 0 420.944 4.442 20 30 HIEDRO N#CCCCn1cc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)c2ccccc21 ZINC000436083546 861362154 /nfs/dbraw/zinc/36/21/54/861362154.db2.gz OFHQCFFDVNRBTF-UHFFFAOYSA-N 1 0 410.587 4.036 20 30 HIEDRO CCc1cccc(NC(=S)C(C(=O)c2cc(C)n(C)c2C)[n+]2cccc(CO)c2)c1 ZINC000010174634 845627077 /nfs/dbraw/zinc/62/70/77/845627077.db2.gz BMCCVKXMZHZIBL-UHFFFAOYSA-O 1 0 422.574 4.035 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000436302291 861606431 /nfs/dbraw/zinc/60/64/31/861606431.db2.gz SQZSSJUKHASIMP-LEDOBFOHSA-N 1 0 420.619 4.320 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000436302293 861607765 /nfs/dbraw/zinc/60/77/65/861607765.db2.gz SQZSSJUKHASIMP-RFWXGWTQSA-N 1 0 420.619 4.320 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000436309480 861614389 /nfs/dbraw/zinc/61/43/89/861614389.db2.gz SIEILYDSGKORBB-COPCDDAFSA-N 1 0 419.974 4.404 20 30 HIEDRO CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)cc1 ZINC000436343468 861656191 /nfs/dbraw/zinc/65/61/91/861656191.db2.gz JQSYGQMMFRBTTK-DNQXCXABSA-N 1 0 405.542 4.319 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1cc(C)c(C)cc1C)C(=S)NC[C@@H]1CCCO1 ZINC000022691303 846604112 /nfs/dbraw/zinc/60/41/12/846604112.db2.gz KMEPNTJADQCZAW-FQEVSTJZSA-O 1 0 411.591 4.169 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1cc(C)n(C)c1C)C(=S)NCc1ccccc1 ZINC000022730729 846610279 /nfs/dbraw/zinc/61/02/79/846610279.db2.gz CEJSZILHDIJZGU-UHFFFAOYSA-O 1 0 406.575 4.220 20 30 HIEDRO Cc1ccc(C(=O)C(C(=S)Nc2ccc3c(c2)OCCO3)[n+]2ccccc2)s1 ZINC000022733477 846611168 /nfs/dbraw/zinc/61/11/68/846611168.db2.gz VOIWPSREKHVLSJ-UHFFFAOYSA-O 1 0 411.528 4.166 20 30 HIEDRO CCc1ccc(NC(=S)C(C(=O)c2ccc(C)s2)[n+]2cccc(CO)c2)cc1 ZINC000022731026 846611811 /nfs/dbraw/zinc/61/18/11/846611811.db2.gz ACIGQRQUQWPBKG-UHFFFAOYSA-O 1 0 411.572 4.450 20 30 HIEDRO CCC(CC)c1cc[n+](C(C(=O)c2ccc(C)s2)C(=S)NCCOC)cc1 ZINC000022794313 846621529 /nfs/dbraw/zinc/62/15/29/846621529.db2.gz MILAXMGOXLLBGY-UHFFFAOYSA-O 1 0 405.609 4.422 20 30 HIEDRO COCCNC(=S)C(C(=O)c1cc(C)sc1C)[n+]1ccc(C(C)(C)C)cc1 ZINC000022794364 846621542 /nfs/dbraw/zinc/62/15/42/846621542.db2.gz WRMXGQAOXVQRDI-UHFFFAOYSA-O 1 0 405.609 4.125 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(F)c(F)c1)[n+]1ccc2c(c1)CCCC2 ZINC000022796952 846621636 /nfs/dbraw/zinc/62/16/36/846621636.db2.gz XLFSXCROUDMQND-UHFFFAOYSA-O 1 0 401.502 4.236 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000022795446 846621950 /nfs/dbraw/zinc/62/19/50/846621950.db2.gz WUXKIYIECWJGNL-UHFFFAOYSA-O 1 0 412.535 4.284 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccc(F)cc2)[n+]2ccc(N(C)C)cc2)c(C)[nH]1 ZINC000023604021 846727250 /nfs/dbraw/zinc/72/72/50/846727250.db2.gz IRJCAYDJYDTTOE-UHFFFAOYSA-O 1 0 411.526 4.175 20 30 HIEDRO COc1ccc(CCNC(=S)C(C(=O)c2cc(C)[nH]c2C)[n+]2cccc(C)c2)cc1 ZINC000023604977 846728684 /nfs/dbraw/zinc/72/86/84/846728684.db2.gz CPHWSMIQVIEVIP-UHFFFAOYSA-O 1 0 422.574 4.007 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1cccc(OC)c1 ZINC000025860906 847047479 /nfs/dbraw/zinc/04/74/79/847047479.db2.gz DUYVPEMAYHNTOC-NRFANRHFSA-N 1 0 420.513 4.072 20 30 HIEDRO C=CCOc1cccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)c1 ZINC000026311724 847122689 /nfs/dbraw/zinc/12/26/89/847122689.db2.gz YBCPAJCTVPHYHJ-GOSISDBHSA-N 1 0 402.560 4.133 20 30 HIEDRO N#CCCn1cc(C[NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)c(-c2ccccc2)n1 ZINC000436407882 861755754 /nfs/dbraw/zinc/75/57/54/861755754.db2.gz IXRLIGXVVVMGEL-UYAOXDASSA-N 1 0 406.452 4.037 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)OCO2)[n+]1ccc(C(C)(C)C)cc1 ZINC000027311437 847281408 /nfs/dbraw/zinc/28/14/08/847281408.db2.gz RYGXYBNFIAMBBA-UHFFFAOYSA-O 1 0 411.547 4.105 20 30 HIEDRO CC(=O)c1c(C)[nH]c(C(=O)C(C(=S)Nc2ccccc2)[n+]2cccc(C)c2)c1C ZINC000028793516 847461697 /nfs/dbraw/zinc/46/16/97/847461697.db2.gz DBXCRNLPKPKGGI-UHFFFAOYSA-O 1 0 406.531 4.481 20 30 HIEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)C4(C#N)CCCC4)cc3)CC2)c1 ZINC000029416627 847561630 /nfs/dbraw/zinc/56/16/30/847561630.db2.gz SMPMHCLITYCHLC-UHFFFAOYSA-N 1 0 402.542 4.340 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCc3nc4ccccc4s3)CC2)cc1 ZINC000029983880 847664001 /nfs/dbraw/zinc/66/40/01/847664001.db2.gz QLSMSTAPWILLGN-UHFFFAOYSA-N 1 0 418.566 4.225 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)Cc1ccccc1 ZINC000032483476 848037749 /nfs/dbraw/zinc/03/77/49/848037749.db2.gz LSTKOPYGQBUELX-XMMPIXPASA-N 1 0 413.521 4.040 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)c1C#N ZINC000032761054 848072360 /nfs/dbraw/zinc/07/23/60/848072360.db2.gz YQENXWDTAMLWJZ-NRFANRHFSA-N 1 0 406.555 4.119 20 30 HIEDRO COc1c(Br)cc(Br)cc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000037505846 848174081 /nfs/dbraw/zinc/17/40/81/848174081.db2.gz LFXMXJYLCKEBEE-UHFFFAOYSA-N 1 0 410.109 4.382 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3ccccc3[N+](=O)[O-])sc2C1 ZINC000046599329 848882893 /nfs/dbraw/zinc/88/28/93/848882893.db2.gz JRAGPTWIXFTAJM-CQSZACIVSA-N 1 0 412.515 4.113 20 30 HIEDRO CC(C)Oc1cccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000046654091 848900327 /nfs/dbraw/zinc/90/03/27/848900327.db2.gz ATCXYQMWRJSSJJ-IBGZPJMESA-N 1 0 408.546 4.180 20 30 HIEDRO N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000046744109 848924474 /nfs/dbraw/zinc/92/44/74/848924474.db2.gz MEAJGKZQZKSVCD-XMMPIXPASA-N 1 0 411.505 4.142 20 30 HIEDRO Cc1nc(-c2cccs2)sc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000047011082 848972654 /nfs/dbraw/zinc/97/26/54/848972654.db2.gz UFKFUCJGVXYXAJ-UHFFFAOYSA-N 1 0 410.568 4.256 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1nnc(-c2ccsc2)s1 ZINC000052496571 849589435 /nfs/dbraw/zinc/58/94/35/849589435.db2.gz AOLHHONZPOKJMG-UHFFFAOYSA-N 1 0 405.524 4.015 20 30 HIEDRO CC(C)[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000054000816 849792798 /nfs/dbraw/zinc/79/27/98/849792798.db2.gz VLAOOKVIVCJNKX-QHCPKHFHSA-N 1 0 408.521 4.312 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000054340706 849850043 /nfs/dbraw/zinc/85/00/43/849850043.db2.gz NBCGYNUBRGKJRE-IBGZPJMESA-N 1 0 404.514 4.287 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000056144418 850253148 /nfs/dbraw/zinc/25/31/48/850253148.db2.gz ADQLWPGVPKWQFY-ZWKOTPCHSA-N 1 0 400.482 4.210 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1ccc(OCc2cccnc2)cc1 ZINC000056144417 850253492 /nfs/dbraw/zinc/25/34/92/850253492.db2.gz ADQLWPGVPKWQFY-MSOLQXFVSA-N 1 0 400.482 4.210 20 30 HIEDRO COc1cc(-c2noc(CCCCC[NH2+][C@H]3CCc4ccc(C#N)cc43)n2)ccc1O ZINC000436934054 862112974 /nfs/dbraw/zinc/11/29/74/862112974.db2.gz FKYPTWFMXWRPPX-FQEVSTJZSA-N 1 0 418.497 4.312 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000058835539 850942968 /nfs/dbraw/zinc/94/29/68/850942968.db2.gz CVABQKAUVQIMLL-HSZRJFAPSA-N 1 0 417.553 4.352 20 30 HIEDRO Cc1ccc([C@@H](CNC(=O)c2cccc(OCc3ccccc3C#N)c2)[NH+](C)C)cc1 ZINC000060155590 851045477 /nfs/dbraw/zinc/04/54/77/851045477.db2.gz FVCKGNMAYHTPJD-RUZDIDTESA-N 1 0 413.521 4.478 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC(C)(C)c2ccccc21 ZINC000060574943 851152398 /nfs/dbraw/zinc/15/23/98/851152398.db2.gz HDCWYOQYAZVUIT-HSZRJFAPSA-N 1 0 404.558 4.444 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]C[C@@H](c2cccc(C)c2)N2CCOCC2)ccc1OC ZINC000060947566 851255029 /nfs/dbraw/zinc/25/50/29/851255029.db2.gz YDYRJTOLFONNPQ-QHCPKHFHSA-N 1 0 410.558 4.122 20 30 HIEDRO C[C@H]1CN(C(C)(C)C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@H](C)O1 ZINC000060972459 851263091 /nfs/dbraw/zinc/26/30/91/851263091.db2.gz UYDAYKZDAPMJHR-PMACEKPBSA-N 1 0 407.558 4.115 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000063400453 851678072 /nfs/dbraw/zinc/67/80/72/851678072.db2.gz NSASYOLBVCJVQJ-LJQANCHMSA-N 1 0 414.531 4.191 20 30 HIEDRO CC(C)[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(-c2ccc(F)cc2)s1 ZINC000064801496 851987092 /nfs/dbraw/zinc/98/70/92/851987092.db2.gz KKXDPZFHXKXXBP-UHFFFAOYSA-N 1 0 412.534 4.421 20 30 HIEDRO COc1ccc(CC[N@H+](CC(=O)Nc2sccc2C#N)Cc2ccccc2)cc1 ZINC000064807293 851989588 /nfs/dbraw/zinc/98/95/88/851989588.db2.gz AJTGNTMADYRJTD-UHFFFAOYSA-N 1 0 405.523 4.312 20 30 HIEDRO N#Cc1ccc(Oc2cccc(C(=O)NCC3([NH+]4CCSCC4)CCCC3)c2)cc1 ZINC000097547158 852626296 /nfs/dbraw/zinc/62/62/96/852626296.db2.gz FXMAWHICRDDYAU-UHFFFAOYSA-N 1 0 421.566 4.442 20 30 HIEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000106259953 852765693 /nfs/dbraw/zinc/76/56/93/852765693.db2.gz WCKTXRRTVKZUBB-OALUTQOASA-N 1 0 402.498 4.343 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)CSCc2ccc(C#N)cc2)cc1 ZINC000107715043 852789506 /nfs/dbraw/zinc/78/95/06/852789506.db2.gz UARLQRIWGGCVPG-LJQANCHMSA-N 1 0 407.583 4.482 20 30 HIEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)o1 ZINC000108578133 852861721 /nfs/dbraw/zinc/86/17/21/852861721.db2.gz JLIZWIOWQZELSR-UHFFFAOYSA-N 1 0 421.541 4.458 20 30 HIEDRO C=CCOc1ccc(C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1OC ZINC000108898674 852890279 /nfs/dbraw/zinc/89/02/79/852890279.db2.gz VLHMVJMEGNDUPX-UHFFFAOYSA-N 1 0 421.541 4.044 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH+]2CCC([C@@H](O)c3ccccc3)CC2)sc2c1CCCC2 ZINC000109094598 852921360 /nfs/dbraw/zinc/92/13/60/852921360.db2.gz BTEDBMYFNVDZKT-QHCPKHFHSA-N 1 0 423.582 4.273 20 30 HIEDRO C#CC[NH+]1CCC(C(=O)Nc2cc(-c3ccccc3C)nn2Cc2ccccc2)CC1 ZINC000110232206 853077179 /nfs/dbraw/zinc/07/71/79/853077179.db2.gz DDALWVWYFRCFNN-UHFFFAOYSA-N 1 0 412.537 4.191 20 30 HIEDRO CCC[N@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000111177717 853217349 /nfs/dbraw/zinc/21/73/49/853217349.db2.gz PIAKCRAVMRPFFI-QFIPXVFZSA-N 1 0 404.539 4.133 20 30 HIEDRO N#CCCN(C(=O)C[NH2+]C1(c2cccc(Br)c2)CCC1)c1ccccc1 ZINC000116538630 853312941 /nfs/dbraw/zinc/31/29/41/853312941.db2.gz KIBXENDJBOCKLG-UHFFFAOYSA-N 1 0 412.331 4.365 20 30 HIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000145676588 853555318 /nfs/dbraw/zinc/55/53/18/853555318.db2.gz GRQZRPQGSAOINU-QFIPXVFZSA-N 1 0 411.571 4.052 20 30 HIEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@H](C)c1cccs1)[n+]1cccc(C)c1 ZINC000186966170 853669006 /nfs/dbraw/zinc/66/90/06/853669006.db2.gz HZUCORGNRKYDPN-CYBMUJFWSA-O 1 0 400.549 4.238 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=S)N[C@H](C)CC ZINC000194974021 853669344 /nfs/dbraw/zinc/66/93/44/853669344.db2.gz SGTPRYCBVXWRAG-OAHLLOKOSA-O 1 0 400.524 4.080 20 30 HIEDRO C=CCOc1ccc(/C=C\C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2)cc1OC ZINC000215608316 853833602 /nfs/dbraw/zinc/83/36/02/853833602.db2.gz OWDAOPQOZUYOKH-QPEQYQDCSA-N 1 0 421.541 4.054 20 30 HIEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000216167009 853846011 /nfs/dbraw/zinc/84/60/11/853846011.db2.gz IWJRIAUXROJIKB-NSHDSACASA-N 1 0 404.146 4.437 20 30 HIEDRO Cc1cc(CN2CCN(CCC(C#N)(c3ccccc3)c3ccccc3)CC2)no1 ZINC000216743490 853858080 /nfs/dbraw/zinc/85/80/80/853858080.db2.gz XRGLMMOCJJUOKH-UHFFFAOYSA-N 1 0 400.526 4.001 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](Nc4ccccc4)C3)sc2C1 ZINC000229550800 853892761 /nfs/dbraw/zinc/89/27/61/853892761.db2.gz WYZMUTDOIMMSMG-FUHWJXTLSA-N 1 0 408.571 4.260 20 30 HIEDRO CC1CCN(c2ccc(C[NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)cn2)CC1 ZINC000236735657 853917219 /nfs/dbraw/zinc/91/72/19/853917219.db2.gz LWOLHKZMKBZESX-UHFFFAOYSA-N 1 0 414.557 4.385 20 30 HIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)ccc1OC ZINC000237021007 853952338 /nfs/dbraw/zinc/95/23/38/853952338.db2.gz AFSJWMSUBYKXHS-IBGZPJMESA-N 1 0 404.470 4.248 20 30 HIEDRO CCc1nc(CN2CCC(C[NH2+]Cc3ccc(N(C)CCC#N)cc3)CC2)cs1 ZINC000237046582 853956498 /nfs/dbraw/zinc/95/64/98/853956498.db2.gz JHHUFDXJDDJBAN-UHFFFAOYSA-N 1 0 411.619 4.057 20 30 HIEDRO CN(C)c1cc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c2ccccc2n1 ZINC000237172114 853975547 /nfs/dbraw/zinc/97/55/47/853975547.db2.gz QISNYNXQRHDTID-UHFFFAOYSA-N 1 0 410.525 4.368 20 30 HIEDRO CN(CCC#N)c1ccc(CNc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000237214660 853984380 /nfs/dbraw/zinc/98/43/80/853984380.db2.gz UAVNQLTZWJPWHO-UHFFFAOYSA-N 1 0 403.574 4.181 20 30 HIEDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(Cl)c1OC ZINC000237324010 854006896 /nfs/dbraw/zinc/00/68/96/854006896.db2.gz CNLBRRJTAKXQMH-MRXNPFEDSA-N 1 0 403.885 4.127 20 30 HIEDRO COc1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)ccc1OC(F)F ZINC000237426722 854030467 /nfs/dbraw/zinc/03/04/67/854030467.db2.gz WAAFEMLJMDNESJ-INIZCTEOSA-N 1 0 405.420 4.066 20 30 HIEDRO COc1ccc(N2CCC([NH2+]Cc3cn(CCC#N)nc3-c3ccccc3)CC2)cc1 ZINC000237573116 854056202 /nfs/dbraw/zinc/05/62/02/854056202.db2.gz GSJMTHLCYOPOHD-UHFFFAOYSA-N 1 0 415.541 4.231 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCCNC(=O)c3cccc(F)c3)c2)c1 ZINC000237729422 854084652 /nfs/dbraw/zinc/08/46/52/854084652.db2.gz KCQHVHAGHXULHU-UHFFFAOYSA-N 1 0 417.484 4.186 20 30 HIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000237829432 854105689 /nfs/dbraw/zinc/10/56/89/854105689.db2.gz NRWWWFPZNVKCEE-UHFFFAOYSA-N 1 0 406.448 4.397 20 30 HIEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000237860182 854109712 /nfs/dbraw/zinc/10/97/12/854109712.db2.gz WPMZSSUKRUJNHB-HXUWFJFHSA-N 1 0 403.505 4.259 20 30 HIEDRO Cc1cc(C)c(NC(=O)[C@@H](C)O[NH+]=Cc2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000255496782 854216843 /nfs/dbraw/zinc/21/68/43/854216843.db2.gz ZTTKZIWBUQKDAE-QGZVFWFLSA-N 1 0 415.921 4.171 20 30 HIEDRO CCCc1cc[n+](C(C(=O)c2nccs2)C(=S)NC(C2CC2)C2CC2)cc1 ZINC000278335090 854281206 /nfs/dbraw/zinc/28/12/06/854281206.db2.gz VLZAMKTZUMXIEZ-UHFFFAOYSA-O 1 0 400.593 4.100 20 30 HIEDRO C[C@@H](O/[NH+]=C/c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000301144871 854310112 /nfs/dbraw/zinc/31/01/12/854310112.db2.gz LFBMULFTAJZVBU-UPMNJHNBSA-N 1 0 409.530 4.198 20 30 HIEDRO COc1ccc([C@H](CNc2c(C#N)cnc3ccc(Cl)cc32)[NH+](C)C)cc1OC ZINC000302587617 854588203 /nfs/dbraw/zinc/58/82/03/854588203.db2.gz VRMAINHVFATBPH-IBGZPJMESA-N 1 0 410.905 4.492 20 30 HIEDRO C[C@@H](c1ccncc1)[NH+]1CCC(Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000302678580 854602914 /nfs/dbraw/zinc/60/29/14/854602914.db2.gz RACIEXCMHKTXKV-HNNXBMFYSA-N 1 0 402.458 4.047 20 30 HIEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000302901984 854673145 /nfs/dbraw/zinc/67/31/45/854673145.db2.gz TZSFPUWDEDKVRB-SFHVURJKSA-N 1 0 424.907 4.468 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000303036974 854733310 /nfs/dbraw/zinc/73/33/10/854733310.db2.gz REZBIRUJHAYLST-UHFFFAOYSA-N 1 0 408.889 4.071 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCc2ccc(Br)cc2)c(C#N)c1C ZINC000303279621 854848300 /nfs/dbraw/zinc/84/83/00/854848300.db2.gz IDZDONGVDRWQEJ-ZDUSSCGKSA-N 1 0 404.308 4.032 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000303435155 854935381 /nfs/dbraw/zinc/93/53/81/854935381.db2.gz GSVMYPJNBGEPJG-RTWAWAEBSA-N 1 0 415.459 4.271 20 30 HIEDRO COc1ccc([C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)N2CCCC2)cc1 ZINC000303694492 855137478 /nfs/dbraw/zinc/13/74/78/855137478.db2.gz CWRAIRANEQOTES-IBGZPJMESA-N 1 0 422.451 4.158 20 30 HIEDRO [NH2+]=C(NCc1cc(F)ccc1Br)Nc1ccc(OC(F)(F)F)cc1 ZINC000303773178 855188918 /nfs/dbraw/zinc/18/89/18/855188918.db2.gz FFBHGMGTYWIKSH-UHFFFAOYSA-N 1 0 406.177 4.414 20 30 HIEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(COCc3ccccc3)cc2)cc1OC ZINC000303873290 855263367 /nfs/dbraw/zinc/26/33/67/855263367.db2.gz CLFIDKKGTFIRQX-UHFFFAOYSA-N 1 0 419.525 4.025 20 30 HIEDRO COc1cccc(OC)c1Oc1ccc(CNC(=[NH2+])Nc2ccc(C)c(C)c2)cn1 ZINC000303888943 855271801 /nfs/dbraw/zinc/27/18/01/855271801.db2.gz LSJGQAWUQNMNDF-UHFFFAOYSA-N 1 0 406.486 4.435 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCc2ccc(Cn3cnc4ccccc43)cc2)cc1OC ZINC000303982741 855335678 /nfs/dbraw/zinc/33/56/78/855335678.db2.gz QNGIJMWMBVJORF-UHFFFAOYSA-N 1 0 415.497 4.029 20 30 HIEDRO CCc1nc(CN2CCC(CNC(=[NH2+])Nc3ccc(OC(C)C)cc3)CC2)cs1 ZINC000304745486 855357449 /nfs/dbraw/zinc/35/74/49/855357449.db2.gz FDWWNSIYJOQXNV-UHFFFAOYSA-N 1 0 415.607 4.132 20 30 HIEDRO [NH2+]=C(NCc1ccc(NC(=O)c2ccco2)cc1)Nc1ccccc1OC(F)(F)F ZINC000305207362 855360088 /nfs/dbraw/zinc/36/00/88/855360088.db2.gz GMUFGLKVAHNVGV-UHFFFAOYSA-N 1 0 418.375 4.357 20 30 HIEDRO CCCCNC(=O)c1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1 ZINC000305257007 855361047 /nfs/dbraw/zinc/36/10/47/855361047.db2.gz WUFKTTLWBVSKLE-UHFFFAOYSA-N 1 0 408.424 4.042 20 30 HIEDRO CCCN(C(=O)c1cccs1)C1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000410418002 855987186 /nfs/dbraw/zinc/98/71/86/855987186.db2.gz MGSFSXDJKDLMRE-UHFFFAOYSA-N 1 0 403.592 4.165 20 30 HIEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccc(C#N)cc3Cl)cc2)C[C@@H](C)O1 ZINC000426165682 856148706 /nfs/dbraw/zinc/14/87/06/856148706.db2.gz JKOPTXUAPNILOX-HZPDHXFCSA-N 1 0 412.921 4.143 20 30 HIEDRO Cc1sc(NC(=O)C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c(C#N)c1C ZINC000427004003 856590541 /nfs/dbraw/zinc/59/05/41/856590541.db2.gz CJYLYDLFUJSLGX-UHFFFAOYSA-N 1 0 407.543 4.130 20 30 HIEDRO CC[N@H+](CCNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1)CCC(F)(F)F ZINC000427218692 856719227 /nfs/dbraw/zinc/71/92/27/856719227.db2.gz MUGYLZSJEFAEHO-UHFFFAOYSA-N 1 0 405.420 4.355 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000429069936 857492087 /nfs/dbraw/zinc/49/20/87/857492087.db2.gz SHPQJKWOYRKPCQ-QAPCUYQASA-N 1 0 414.456 4.192 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1OCCc2sccc21 ZINC000429147521 857531278 /nfs/dbraw/zinc/53/12/78/857531278.db2.gz AGNBAPAMBWUUFT-RBZFPXEDSA-N 1 0 415.584 4.181 20 30 HIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1OCCc2sccc21 ZINC000429147524 857531385 /nfs/dbraw/zinc/53/13/85/857531385.db2.gz AGNBAPAMBWUUFT-XCLFUZPHSA-N 1 0 415.584 4.181 20 30 HIEDRO C[C@@H]1C[NH+](CCC2CCN(C(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)C[C@@H](C)O1 ZINC000429255106 857576779 /nfs/dbraw/zinc/57/67/79/857576779.db2.gz OYERJXGLSCWPCK-RTBURBONSA-N 1 0 412.578 4.231 20 30 HIEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000429260662 857579622 /nfs/dbraw/zinc/57/96/22/857579622.db2.gz NFYXNAMVQBIVPA-QFIPXVFZSA-N 1 0 405.546 4.401 20 30 HIEDRO CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000429494228 857695940 /nfs/dbraw/zinc/69/59/40/857695940.db2.gz REOPDIKCFNGZNB-QHCPKHFHSA-N 1 0 404.558 4.173 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(c4ccncc4)CC3)sc2C1 ZINC000429545378 857736358 /nfs/dbraw/zinc/73/63/58/857736358.db2.gz CLRUWNGMCRTHFQ-MRXNPFEDSA-N 1 0 408.571 4.348 20 30 HIEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)C2)CC1 ZINC000429667128 857826900 /nfs/dbraw/zinc/82/69/00/857826900.db2.gz VOSUSSXDKVLKAX-OAQYLSRUSA-N 1 0 419.573 4.048 20 30 HIEDRO CC(C)N1CC[C@@H]([NH2+]CC(=O)Nc2sccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000429775873 857880276 /nfs/dbraw/zinc/88/02/76/857880276.db2.gz QVFLYZSFGXISEZ-IEBWSBKVSA-N 1 0 420.941 4.164 20 30 HIEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429988888 857985713 /nfs/dbraw/zinc/98/57/13/857985713.db2.gz KGIXEQCHMWZKQK-IBGZPJMESA-N 1 0 407.562 4.094 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCC2(CC#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000430719170 858277896 /nfs/dbraw/zinc/27/78/96/858277896.db2.gz YTZUMIGLHZOEMU-WMZOPIPTSA-N 1 0 408.468 4.081 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@H](c2ccccc2F)C1 ZINC000431060431 858427040 /nfs/dbraw/zinc/42/70/40/858427040.db2.gz YMEWLYDJUVNILY-SFTDATJTSA-N 1 0 408.521 4.107 20 30 HIEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](CCCC#N)c1ccccc1 ZINC000431696323 858745472 /nfs/dbraw/zinc/74/54/72/858745472.db2.gz DCIGDIXTAIKKOD-QHCPKHFHSA-N 1 0 405.546 4.304 20 30 HIEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1Cl ZINC000437732540 863061799 /nfs/dbraw/zinc/06/17/99/863061799.db2.gz MSGHVMXBWCAAQM-CTNGQTDRSA-N 1 0 406.917 4.473 20 30 HIEDRO Cc1cc(F)cc2c1ncc(C#N)c2N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000431822856 858828488 /nfs/dbraw/zinc/82/84/88/858828488.db2.gz LMKCAXAYULVWEM-UHFFFAOYSA-N 1 0 423.580 4.187 20 30 HIEDRO COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3(C(=O)OC(C)(C)C)C2)cc1OCCCC#N ZINC000467559545 881382745 /nfs/dbraw/zinc/38/27/45/881382745.db2.gz IQBJNIZTGQVRTO-YADARESESA-N 1 0 414.546 4.322 20 30 HIEDRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)c(OC)c1 ZINC000433010764 859476236 /nfs/dbraw/zinc/47/62/36/859476236.db2.gz LRPBXXMFWYHCMY-GOTSBHOMSA-N 1 0 421.541 4.392 20 30 HIEDRO N#CCCC[C@H]([NH2+]CCN1c2cccc3cccc(c23)S1(=O)=O)c1ccccc1 ZINC000433011899 859477316 /nfs/dbraw/zinc/47/73/16/859477316.db2.gz HKIXGQLAHCSRRL-FQEVSTJZSA-N 1 0 405.523 4.373 20 30 HIEDRO N#CCCC[C@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000433013407 859478395 /nfs/dbraw/zinc/47/83/95/859478395.db2.gz NVOWIWHLPSIFES-IBGZPJMESA-N 1 0 407.411 4.485 20 30 HIEDRO N#CCCC[C@H]([NH2+]C[C@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000433016977 859479615 /nfs/dbraw/zinc/47/96/15/859479615.db2.gz WDXYHQACPOJRBV-ICSRJNTNSA-N 1 0 403.320 4.214 20 30 HIEDRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433036169 859493309 /nfs/dbraw/zinc/49/33/09/859493309.db2.gz RVXATRORIGMYDE-SFHVURJKSA-N 1 0 420.376 4.494 20 30 HIEDRO CC[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Oc1ccccc1Cl ZINC000433316309 859634580 /nfs/dbraw/zinc/63/45/80/859634580.db2.gz IESJCWDBWIDGGC-IBGZPJMESA-N 1 0 409.921 4.459 20 30 HIEDRO COc1ccc2c(c1)CCC[C@H]2C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433334116 859649200 /nfs/dbraw/zinc/64/92/00/859649200.db2.gz GMCCHUDRIYSKPI-FQEVSTJZSA-N 1 0 401.514 4.077 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCSc1ccnc2cc(Cl)ccc21 ZINC000434202468 860189217 /nfs/dbraw/zinc/18/92/17/860189217.db2.gz FQRSRUSGUZQAKK-UHFFFAOYSA-N 1 0 404.967 4.064 20 30 HIEDRO C=CCOc1ccc(C(=O)Nc2c(C)cnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000434312763 860273176 /nfs/dbraw/zinc/27/31/76/860273176.db2.gz POXFITFQRJCCIT-JOCHJYFZSA-N 1 0 416.525 4.456 20 30 HIEDRO Cc1ccc2c(c1)[nH]cc2C1=CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000434836454 860514639 /nfs/dbraw/zinc/51/46/39/860514639.db2.gz NINPYVYKTUNRMT-OAQYLSRUSA-N 1 0 402.523 4.304 20 30 HIEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000434882184 860532560 /nfs/dbraw/zinc/53/25/60/860532560.db2.gz APVKFVJIQBJWQD-GFCCVEGCSA-N 1 0 414.478 4.303 20 30 HIEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000434886870 860536633 /nfs/dbraw/zinc/53/66/33/860536633.db2.gz NIWGTTZXNMFFRD-CQSZACIVSA-N 1 0 408.449 4.242 20 30 HIEDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434981550 860585255 /nfs/dbraw/zinc/58/52/55/860585255.db2.gz GPTCZEGBZROMAC-HSZRJFAPSA-N 1 0 401.514 4.377 20 30 HIEDRO COc1cccc([C@H]2C[C@@H](C)C[N@@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000434986023 860587164 /nfs/dbraw/zinc/58/71/64/860587164.db2.gz FASGCMAVBWIQOZ-WZONZLPQSA-N 1 0 401.514 4.450 20 30 HIEDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C12CCCCC2 ZINC000435128157 860653812 /nfs/dbraw/zinc/65/38/12/860653812.db2.gz ZNVJOQJMANWJDT-VXKWHMMOSA-N 1 0 407.562 4.418 20 30 HIEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2ccc(C#N)cc2)C1 ZINC000435562321 860884184 /nfs/dbraw/zinc/88/41/84/860884184.db2.gz DQNFLWOWKZMLNL-GOSISDBHSA-N 1 0 400.526 4.157 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H]2CCO[C@@H]2C(=C)C)cc1OCC ZINC000435742551 861024109 /nfs/dbraw/zinc/02/41/09/861024109.db2.gz NYGWIGCBMMCONZ-QFBILLFUSA-N 1 0 410.352 4.483 20 30 HIEDRO CCN(C(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)c1ccc(C#N)cc1 ZINC000435807485 861074055 /nfs/dbraw/zinc/07/40/55/861074055.db2.gz JBFKTVWTAKNPJX-UHFFFAOYSA-N 1 0 400.526 4.333 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000437828383 863175477 /nfs/dbraw/zinc/17/54/77/863175477.db2.gz LLWDTUKAOJTMGZ-OAQYLSRUSA-N 1 0 406.530 4.331 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000437828282 863176175 /nfs/dbraw/zinc/17/61/75/863176175.db2.gz LLWDTUKAOJTMGZ-NRFANRHFSA-N 1 0 406.530 4.331 20 30 HIEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccccc1Sc1ccccc1C#N ZINC000437949157 863323402 /nfs/dbraw/zinc/32/34/02/863323402.db2.gz CMGXCHAWUFGBRV-GIVPXCGWSA-N 1 0 421.566 4.033 20 30 HIEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 ZINC000438190449 863616247 /nfs/dbraw/zinc/61/62/47/863616247.db2.gz VONVYXCFZCUJIK-LJQANCHMSA-N 1 0 408.502 4.307 20 30 HIEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000438470437 863889679 /nfs/dbraw/zinc/88/96/79/863889679.db2.gz PFWKKACORBACTH-UHFFFAOYSA-N 1 0 419.550 4.403 20 30 HIEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)CCCCOc2cccc(C#N)c2)CC1 ZINC000438548512 863978151 /nfs/dbraw/zinc/97/81/51/863978151.db2.gz AZYNLMBMKMFRKF-UHFFFAOYSA-N 1 0 405.542 4.230 20 30 HIEDRO COc1cc(CN2CCO[C@H](c3ccco3)C2)ccc1OCc1cccc(C#N)c1 ZINC000438560004 863992741 /nfs/dbraw/zinc/99/27/41/863992741.db2.gz UJGUEDPTMMLVCE-DEOSSOPVSA-N 1 0 404.466 4.312 20 30 HIEDRO N#Cc1ccc(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)cc1C(F)(F)F ZINC000438646348 864084381 /nfs/dbraw/zinc/08/43/81/864084381.db2.gz ZWZLACUGYKRBIS-UHFFFAOYSA-N 1 0 402.420 4.147 20 30 HIEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H](O)COCc2cccs2)cc1 ZINC000438728684 864211777 /nfs/dbraw/zinc/21/17/77/864211777.db2.gz CATIALWOJMPVQS-JOCHJYFZSA-N 1 0 410.514 4.339 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)c1 ZINC000439003923 864458798 /nfs/dbraw/zinc/45/87/98/864458798.db2.gz ONSKBDHFMYHNDN-LDLZHSJESA-N 1 0 411.590 4.202 20 30 HIEDRO CCn1ccnc1[C@@H]1CCCCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000439011229 864463626 /nfs/dbraw/zinc/46/36/26/864463626.db2.gz YRBVLUZSUINULH-SFHVURJKSA-N 1 0 411.575 4.271 20 30 HIEDRO CC[C@](C)(O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1 ZINC000439272531 864690230 /nfs/dbraw/zinc/69/02/30/864690230.db2.gz KWBATYFLOBXBJI-QHCPKHFHSA-N 1 0 411.571 4.100 20 30 HIEDRO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000439588407 864910821 /nfs/dbraw/zinc/91/08/21/864910821.db2.gz FVQSLVVOMXNQOQ-IBGZPJMESA-N 1 0 412.578 4.035 20 30 HIEDRO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000439589228 864913654 /nfs/dbraw/zinc/91/36/54/864913654.db2.gz ABXJMGLSYDBDHK-UHFFFAOYSA-N 1 0 412.578 4.035 20 30 HIEDRO CCOc1ccccc1NC(=O)[C@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccccc1 ZINC000439649551 864976473 /nfs/dbraw/zinc/97/64/73/864976473.db2.gz QWMRZRVBOYXLAN-XMMPIXPASA-N 1 0 415.493 4.305 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@@H](c2ccccc2)C(C)(C)C1 ZINC000441080997 866174406 /nfs/dbraw/zinc/17/44/06/866174406.db2.gz QRHIGDDTGJAPBA-QFIPXVFZSA-N 1 0 422.573 4.077 20 30 HIEDRO COc1ccc(CCC2CC[NH+](Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)cc1 ZINC000441192927 866263310 /nfs/dbraw/zinc/26/33/10/866263310.db2.gz YJXKMXHXIILZOM-UHFFFAOYSA-N 1 0 402.498 4.462 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1)c1ccc(Br)s1 ZINC000442742795 867659726 /nfs/dbraw/zinc/65/97/26/867659726.db2.gz YGNVYSMQCOQTHY-KGLIPLIRSA-N 1 0 406.349 4.497 20 30 HIEDRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CC2CCC(C#N)CC2)c2cc(F)ccc2F)c1 ZINC000442879985 867711901 /nfs/dbraw/zinc/71/19/01/867711901.db2.gz XSHVUHCJLXMISY-WTOQYCPUSA-N 1 0 418.509 4.377 20 30 HIEDRO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)no1 ZINC000443062848 867806664 /nfs/dbraw/zinc/80/66/64/867806664.db2.gz MHSURDCRSJWCOG-UHFFFAOYSA-N 1 0 404.470 4.005 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(CC[NH+](C)C)CC(C)C ZINC000443906518 868442228 /nfs/dbraw/zinc/44/22/28/868442228.db2.gz JALVYTNZMCGXBN-UHFFFAOYSA-N 1 0 408.546 4.497 20 30 HIEDRO Cc1cc(C[NH2+][C@H]2CCCN(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1C#N ZINC000443999205 868519555 /nfs/dbraw/zinc/51/95/55/868519555.db2.gz BVQZARGQMKUFBX-FQEVSTJZSA-N 1 0 401.432 4.166 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000444174824 868649294 /nfs/dbraw/zinc/64/92/94/868649294.db2.gz HTIMHQMFVFRSAO-VWNXMTODSA-N 1 0 419.569 4.477 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000444205028 868665000 /nfs/dbraw/zinc/66/50/00/868665000.db2.gz KZHLAKPPYQVMBR-QZTJIDSGSA-N 1 0 414.619 4.023 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)NCC3CC[NH+](C4CC4)CC3)cc2F)c1 ZINC000444907404 869094632 /nfs/dbraw/zinc/09/46/32/869094632.db2.gz WWBMRXBNXOJAPJ-UHFFFAOYSA-N 1 0 422.504 4.272 20 30 HIEDRO Cc1coc(-c2cccc(NC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)c2)n1 ZINC000468333911 882267622 /nfs/dbraw/zinc/26/76/22/882267622.db2.gz LFNAXTKSHMIQGY-UHFFFAOYSA-N 1 0 415.497 4.262 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)c1noc(-c2ccccc2)n1 ZINC000446066312 870026103 /nfs/dbraw/zinc/02/61/03/870026103.db2.gz AJAQEBSDCGLLPA-KRWDZBQOSA-N 1 0 424.574 4.396 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000446634293 870540857 /nfs/dbraw/zinc/54/08/57/870540857.db2.gz CRVMQEHLRJVSKU-BJKOFHAPSA-N 1 0 404.558 4.043 20 30 HIEDRO N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2)cc1 ZINC000448204510 872095295 /nfs/dbraw/zinc/09/52/95/872095295.db2.gz OHFMIJYFYGBEKK-DHLKQENFSA-N 1 0 415.537 4.226 20 30 HIEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000448285033 872211019 /nfs/dbraw/zinc/21/10/19/872211019.db2.gz FODCSIMOSUZRPE-QFIPXVFZSA-N 1 0 405.542 4.235 20 30 HIEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000448314961 872250923 /nfs/dbraw/zinc/25/09/23/872250923.db2.gz VSCCJLHXDTXHIK-QFIPXVFZSA-N 1 0 405.542 4.235 20 30 HIEDRO N#Cc1ccc(Nc2cccc(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2)cc1 ZINC000448450855 872397344 /nfs/dbraw/zinc/39/73/44/872397344.db2.gz WGAYNWSWTCZFSS-YKSBVNFPSA-N 1 0 400.526 4.391 20 30 HIEDRO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000448529411 872525818 /nfs/dbraw/zinc/52/58/18/872525818.db2.gz NXMHQPLLRKJDBX-INIZCTEOSA-N 1 0 400.404 4.210 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCC[C@@H]1c1nnc(C2CCC2)o1)C(C)C ZINC000460130362 872610863 /nfs/dbraw/zinc/61/08/63/872610863.db2.gz XSWPLCZRBXWNAC-UXHICEINSA-N 1 0 415.582 4.272 20 30 HIEDRO COc1cc(CNC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)ccc1C#N ZINC000460235587 872824502 /nfs/dbraw/zinc/82/45/02/872824502.db2.gz YNWHIZRYWWEKHM-SFHVURJKSA-N 1 0 406.530 4.030 20 30 HIEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460372426 873008311 /nfs/dbraw/zinc/00/83/11/873008311.db2.gz BOHPQLDTCDXUNY-UHFFFAOYSA-N 1 0 406.578 4.237 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000460374709 873012368 /nfs/dbraw/zinc/01/23/68/873012368.db2.gz MBKLGEQCSSZVMQ-RDGATRHJSA-N 1 0 421.589 4.198 20 30 HIEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460542927 873245900 /nfs/dbraw/zinc/24/59/00/873245900.db2.gz GWZPWULJRQXEGK-OAQYLSRUSA-N 1 0 418.589 4.381 20 30 HIEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460562458 873290282 /nfs/dbraw/zinc/29/02/82/873290282.db2.gz STMKWRHFTKTICJ-IBGZPJMESA-N 1 0 413.541 4.027 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000460564143 873292069 /nfs/dbraw/zinc/29/20/69/873292069.db2.gz FDKDICZZYYMTPS-HXUWFJFHSA-N 1 0 415.969 4.071 20 30 HIEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460572240 873307430 /nfs/dbraw/zinc/30/74/30/873307430.db2.gz AYDWKISIYFETAX-QUCCMNQESA-N 1 0 404.562 4.378 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000460769263 873615127 /nfs/dbraw/zinc/61/51/27/873615127.db2.gz HNZNZPUHSARGNT-WKDRNLAYSA-N 1 0 409.578 4.018 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460794854 873663987 /nfs/dbraw/zinc/66/39/87/873663987.db2.gz PEFRJMCNIJGLCA-RTWAWAEBSA-N 1 0 409.578 4.113 20 30 HIEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460924040 873828106 /nfs/dbraw/zinc/82/81/06/873828106.db2.gz FOGOGWPNYZDHHJ-FPOVZHCZSA-N 1 0 404.562 4.339 20 30 HIEDRO C=C(C)Cn1c(C2CC2)nnc1N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000460946881 873845602 /nfs/dbraw/zinc/84/56/02/873845602.db2.gz PHUBYTWGDPUPRF-UHFFFAOYSA-N 1 0 419.495 4.463 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000460953373 873851478 /nfs/dbraw/zinc/85/14/78/873851478.db2.gz SAMKCGHHRNPWGM-TUNNFDKTSA-N 1 0 409.578 4.053 20 30 HIEDRO C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000460955210 873852888 /nfs/dbraw/zinc/85/28/88/873852888.db2.gz DKNXNKUTQVPVGG-MSOLQXFVSA-N 1 0 415.607 4.074 20 30 HIEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)c2)c1 ZINC000461440954 874495559 /nfs/dbraw/zinc/49/55/59/874495559.db2.gz DCVFDVIQNNNTGQ-QFIPXVFZSA-N 1 0 403.526 4.085 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000468760742 882846821 /nfs/dbraw/zinc/84/68/21/882846821.db2.gz ANGPIRZITGNFQN-CVDCTZTESA-N 1 0 402.542 4.202 20 30 HIEDRO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)c1cccc(C#N)c1 ZINC000461797608 874912434 /nfs/dbraw/zinc/91/24/34/874912434.db2.gz LFFFVHGADJFEKQ-QGZVFWFLSA-N 1 0 415.459 4.415 20 30 HIEDRO C[C@H](C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)c1cccc(C#N)c1 ZINC000462077371 875187026 /nfs/dbraw/zinc/18/70/26/875187026.db2.gz UINZLOGVSMYOHO-SFHVURJKSA-N 1 0 404.514 4.115 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(Br)cc1OCCCO ZINC000462937437 875962187 /nfs/dbraw/zinc/96/21/87/875962187.db2.gz CARHVBKQHJGEHY-JLTOFOAXSA-N 1 0 415.331 4.420 20 30 HIEDRO C=CCc1cc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc(OC)c1OC ZINC000468932736 882997389 /nfs/dbraw/zinc/99/73/89/882997389.db2.gz LREAFXMTJYBXGW-QFIPXVFZSA-N 1 0 408.542 4.103 20 30 HIEDRO COc1ccccc1[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)OC(C)C ZINC000463272669 876331106 /nfs/dbraw/zinc/33/11/06/876331106.db2.gz SFTYDCRPRWYBDU-RUZDIDTESA-N 1 0 407.558 4.287 20 30 HIEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c(OC)c1 ZINC000463446075 876504902 /nfs/dbraw/zinc/50/49/02/876504902.db2.gz VXDYDCRMOBPZRY-KSZLIROESA-N 1 0 401.469 4.216 20 30 HIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000464608672 877836354 /nfs/dbraw/zinc/83/63/54/877836354.db2.gz KJQMCMQUEVXFJD-CVEARBPZSA-N 1 0 413.591 4.488 20 30 HIEDRO CCCCOC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000464854120 878134684 /nfs/dbraw/zinc/13/46/84/878134684.db2.gz QCRBYZWITARDJQ-INIZCTEOSA-N 1 0 403.592 4.354 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc(N2CCCC2=O)ccc1Cl)C(C)C ZINC000503389870 912372483 /nfs/dbraw/zinc/37/24/83/912372483.db2.gz HYFPEDYAUYAXNT-HXUWFJFHSA-N 1 0 418.969 4.287 20 30 HIEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000465400404 878836647 /nfs/dbraw/zinc/83/66/47/878836647.db2.gz WUGLLVMEZGSNTB-QHCPKHFHSA-N 1 0 422.548 4.387 20 30 HIEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000465553220 879018490 /nfs/dbraw/zinc/01/84/90/879018490.db2.gz QNBRSDRTPHHMJF-DQEYMECFSA-N 1 0 416.569 4.441 20 30 HIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000465583758 879063424 /nfs/dbraw/zinc/06/34/24/879063424.db2.gz WGIPZJXLQIYNRB-LOSJGSFVSA-N 1 0 416.569 4.175 20 30 HIEDRO CC[NH+]1CCC(CCNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000466104571 879820527 /nfs/dbraw/zinc/82/05/27/879820527.db2.gz YYXGMXFLHWKQIY-UHFFFAOYSA-N 1 0 419.529 4.054 20 30 HIEDRO Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000466187640 879882204 /nfs/dbraw/zinc/88/22/04/879882204.db2.gz HPKYIDKXUXUDRE-NRFANRHFSA-N 1 0 404.558 4.024 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cncc(-c2ccc(Cl)cc2)c1 ZINC000466444563 880220712 /nfs/dbraw/zinc/22/07/12/880220712.db2.gz APLJRZDUMKCFLZ-UHFFFAOYSA-N 1 0 418.928 4.478 20 30 HIEDRO C[C@@H]1C[C@H](CCNC(=O)Nc2ncccc2OCCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000466608343 880377231 /nfs/dbraw/zinc/37/72/31/880377231.db2.gz HOYAMALCMQKKGH-CTNGQTDRSA-N 1 0 421.545 4.186 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2ncccc2OCCCC#N)[C@@H]1c1cccs1 ZINC000466611042 880382294 /nfs/dbraw/zinc/38/22/94/880382294.db2.gz RTPSTYNAZQBBLG-VQIMIIECSA-N 1 0 413.547 4.030 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CO)Cc2cccc(C)c2)cc1OC ZINC000466910088 880677583 /nfs/dbraw/zinc/67/75/83/880677583.db2.gz QYOVWKICBJRGSC-GOSISDBHSA-N 1 0 420.347 4.024 20 30 HIEDRO Cn1cc(Cl)cc1C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000466960377 880747282 /nfs/dbraw/zinc/74/72/82/880747282.db2.gz AEIRGDDGYIFDEY-UHFFFAOYSA-N 1 0 404.967 4.341 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000503548149 912613635 /nfs/dbraw/zinc/61/36/35/912613635.db2.gz IFMVFMMRUJPTOO-UHFFFAOYSA-N 1 0 417.340 4.283 20 30 HIEDRO CC[C@@H](Cc1ccccc1)[N@H+](CC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000469127704 883222928 /nfs/dbraw/zinc/22/29/28/883222928.db2.gz ZJIPFWBZSOFGKC-NRFANRHFSA-N 1 0 401.514 4.026 20 30 HIEDRO C[C@H](CNC(=O)c1cn(CCCC#N)c2ccccc12)[N@@H+]1CCc2ccccc2C1 ZINC000469256538 883353271 /nfs/dbraw/zinc/35/32/71/883353271.db2.gz YERGFESSKSVVIY-LJQANCHMSA-N 1 0 400.526 4.122 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000469308181 883408075 /nfs/dbraw/zinc/40/80/75/883408075.db2.gz ZZFYIDOLBGZLNK-SFHVURJKSA-N 1 0 408.571 4.081 20 30 HIEDRO N#CCCCn1cc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)c2ccccc21 ZINC000469397050 883557472 /nfs/dbraw/zinc/55/74/72/883557472.db2.gz FVCXSEGMFVIKSB-UHFFFAOYSA-N 1 0 424.614 4.427 20 30 HIEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000469442299 883635649 /nfs/dbraw/zinc/63/56/49/883635649.db2.gz GWHSRFRKTMZKDS-MTFMMBMASA-N 1 0 410.480 4.186 20 30 HIEDRO CCOC(=O)c1csc(CC[NH+]=C(NCc2ccc(C)cc2)Nc2ccccc2)n1 ZINC000469473647 883702713 /nfs/dbraw/zinc/70/27/13/883702713.db2.gz BRLFHMCCSSEXDQ-UHFFFAOYSA-N 1 0 422.554 4.429 20 30 HIEDRO C=CCOc1ccc(C(=O)NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)cc1OC ZINC000469489987 883726998 /nfs/dbraw/zinc/72/69/98/883726998.db2.gz MURXWYOYAQIVQZ-GOSISDBHSA-N 1 0 422.447 4.312 20 30 HIEDRO COc1cc(Br)ccc1[C@H](C)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000469739708 883896031 /nfs/dbraw/zinc/89/60/31/883896031.db2.gz OGJIIDIPBZLOGO-NSHDSACASA-N 1 0 408.321 4.070 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N2Cc3cc(OC)ccc3C[C@H]2c2ccccc2)CC1 ZINC000469751946 883913752 /nfs/dbraw/zinc/91/37/52/883913752.db2.gz KIFPNHJNBUYJOL-DEOSSOPVSA-N 1 0 405.542 4.155 20 30 HIEDRO CCCC[C@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000503773211 912820114 /nfs/dbraw/zinc/82/01/14/912820114.db2.gz YAWMGDFGDNZBBL-DEOSSOPVSA-N 1 0 420.557 4.326 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000470739165 885197930 /nfs/dbraw/zinc/19/79/30/885197930.db2.gz YJISICHWFDEHLG-DENIHFKCSA-N 1 0 408.933 4.093 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000504034192 912937346 /nfs/dbraw/zinc/93/73/46/912937346.db2.gz DDMRPTCLRFIMKR-LJQANCHMSA-N 1 0 405.542 4.086 20 30 HIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000471045175 885556691 /nfs/dbraw/zinc/55/66/91/885556691.db2.gz XJTMCSPMMRRMOV-UHFFFAOYSA-N 1 0 419.978 4.397 20 30 HIEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)[C@@H](C)C1 ZINC000471236779 885811344 /nfs/dbraw/zinc/81/13/44/885811344.db2.gz RXBYEZZWSZZYMZ-JTSKRJEESA-N 1 0 413.610 4.082 20 30 HIEDRO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000471289082 885874152 /nfs/dbraw/zinc/87/41/52/885874152.db2.gz UYPQYPDYLOVVCQ-QHCPKHFHSA-N 1 0 410.521 4.125 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(CCC(=O)OC(C)(C)C)c2)CC1 ZINC000471366990 886003322 /nfs/dbraw/zinc/00/33/22/886003322.db2.gz RDNMOZXUJTZMCK-UHFFFAOYSA-N 1 0 401.551 4.123 20 30 HIEDRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3ccc(C#N)cc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000471930752 886724960 /nfs/dbraw/zinc/72/49/60/886724960.db2.gz QQGXODVTYGVAEI-LEWJYISDSA-N 1 0 410.905 4.320 20 30 HIEDRO N#CCC[C@@H](NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccccc1 ZINC000472049190 886862992 /nfs/dbraw/zinc/86/29/92/886862992.db2.gz PUTUEJPQHMCNOM-CTWPCTMYSA-N 1 0 408.468 4.136 20 30 HIEDRO CCN(CCC[NH+](CC)CC)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000472101155 886893044 /nfs/dbraw/zinc/89/30/44/886893044.db2.gz BDEPWQXOGQKCIZ-UHFFFAOYSA-N 1 0 400.567 4.012 20 30 HIEDRO C[C@@H]([NH2+]C1(CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CCCC1)c1ccccc1 ZINC000472160421 886958731 /nfs/dbraw/zinc/95/87/31/886958731.db2.gz RFCHWGQBXSUXGJ-AUSIDOKSSA-N 1 0 400.526 4.020 20 30 HIEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472365873 887202138 /nfs/dbraw/zinc/20/21/38/887202138.db2.gz DVQIGZQPNSKWKC-DEOSSOPVSA-N 1 0 404.558 4.248 20 30 HIEDRO N#CCCn1cc(C(=O)CN2CCC[N@H+](CC3CCCCC3)CC2)c2ccccc21 ZINC000472445768 887296668 /nfs/dbraw/zinc/29/66/68/887296668.db2.gz GPWQZSSUZZGINA-UHFFFAOYSA-N 1 0 406.574 4.326 20 30 HIEDRO O=C(Nc1ccccc1C#Cc1ccccc1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000472885759 887735534 /nfs/dbraw/zinc/73/55/34/887735534.db2.gz VKIGUWLYXFJVJL-UHFFFAOYSA-N 1 0 417.553 4.195 20 30 HIEDRO C=CCOc1ccc(C(=O)NC2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)cc1OC ZINC000473281736 888036918 /nfs/dbraw/zinc/03/69/18/888036918.db2.gz QEXABZFHIHQFFT-RTBURBONSA-N 1 0 408.542 4.146 20 30 HIEDRO N#Cc1ccc(SCC(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000473511488 888240772 /nfs/dbraw/zinc/24/07/72/888240772.db2.gz WJBRYDJMAYYUSP-DEOSSOPVSA-N 1 0 405.567 4.165 20 30 HIEDRO CC(C)C[C@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000473701628 888477371 /nfs/dbraw/zinc/47/73/71/888477371.db2.gz SCPSCCMPSVPDKS-WUMKDDEVSA-N 1 0 402.542 4.122 20 30 HIEDRO CC[NH+]1CCN(c2cccc(NCc3cn(CCC#N)nc3-c3ccccc3)c2)CC1 ZINC000473837735 888676093 /nfs/dbraw/zinc/67/60/93/888676093.db2.gz UGTYOMBCMKUMQV-UHFFFAOYSA-N 1 0 414.557 4.218 20 30 HIEDRO CC(C)(C)OCCCC[NH+]1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000474967006 889822500 /nfs/dbraw/zinc/82/25/00/889822500.db2.gz JLTPMBRCWHMWJA-LJQANCHMSA-N 1 0 408.384 4.227 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000475167914 890034723 /nfs/dbraw/zinc/03/47/23/890034723.db2.gz RMBKTHIVLLIUMO-UYAOXDASSA-N 1 0 411.590 4.246 20 30 HIEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccnc(C#N)c1 ZINC000475310426 890222422 /nfs/dbraw/zinc/22/24/22/890222422.db2.gz DHWIIUIXASUKAT-UHFFFAOYSA-N 1 0 405.329 4.244 20 30 HIEDRO CC(C)n1cc2cc(NC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)ccc2n1 ZINC000475388920 890315548 /nfs/dbraw/zinc/31/55/48/890315548.db2.gz HOJQAFOZUBSYKE-UHFFFAOYSA-N 1 0 416.529 4.229 20 30 HIEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475578320 890507816 /nfs/dbraw/zinc/50/78/16/890507816.db2.gz ABDMSFXPSMYLHW-APWZRJJASA-N 1 0 417.962 4.058 20 30 HIEDRO C[C@@H]([NH2+]C1(CNC(=O)C[C@@H](CC#N)c2ccccc2)CCOCC1)c1ccccc1 ZINC000476054915 890985258 /nfs/dbraw/zinc/98/52/58/890985258.db2.gz YKERGJOOPAXSOP-NFBKMPQASA-N 1 0 405.542 4.090 20 30 HIEDRO COc1cccc([C@@H]2[C@@H](NC(=O)c3ccc(C(C)(C)C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000476599379 891534729 /nfs/dbraw/zinc/53/47/29/891534729.db2.gz QHJSMTMCPFIKFA-XZOQPEGZSA-N 1 0 403.526 4.204 20 30 HIEDRO C=C(C)[C@@H](NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1)c1ccc(F)c(F)c1 ZINC000476999321 891926233 /nfs/dbraw/zinc/92/62/33/891926233.db2.gz VRCFHDWMGUTGKJ-OAQYLSRUSA-N 1 0 421.532 4.305 20 30 HIEDRO C=C(C)[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)c(F)c1 ZINC000477730033 892830249 /nfs/dbraw/zinc/83/02/49/892830249.db2.gz UWPYLCPXXGWRHM-NRFANRHFSA-N 1 0 400.473 4.193 20 30 HIEDRO C=C(C)[C@H](NC(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1)c1ccc(F)c(F)c1 ZINC000477749303 892842476 /nfs/dbraw/zinc/84/24/76/892842476.db2.gz UYSUNFDYRONNFY-QFIPXVFZSA-N 1 0 423.548 4.362 20 30 HIEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000477841485 892899802 /nfs/dbraw/zinc/89/98/02/892899802.db2.gz AOUIAUJMFLGVAR-CRAIPNDOSA-N 1 0 407.436 4.079 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000478056592 893212042 /nfs/dbraw/zinc/21/20/42/893212042.db2.gz HMGSECGYBVMIMQ-QGZVFWFLSA-N 1 0 402.970 4.127 20 30 HIEDRO Cc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c(OC[C@@H]2CCCO2)c1 ZINC000478252862 893429291 /nfs/dbraw/zinc/42/92/91/893429291.db2.gz LOWDZJDUYUMFSX-QHCPKHFHSA-N 1 0 416.525 4.115 20 30 HIEDRO Cn1cc(C[NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000478273542 893469691 /nfs/dbraw/zinc/46/96/91/893469691.db2.gz NFSOZXRIVKPZRV-SFHVURJKSA-N 1 0 409.896 4.120 20 30 HIEDRO COc1ccc([C@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)[NH+]2CCCCC2)cc1 ZINC000505169852 913858621 /nfs/dbraw/zinc/85/86/21/913858621.db2.gz VPEPIRQSQPUTBV-QHCPKHFHSA-N 1 0 421.516 4.081 20 30 HIEDRO COc1ccc(CCCCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479268882 894543187 /nfs/dbraw/zinc/54/31/87/894543187.db2.gz ADIQWPGAMAPJKW-UHFFFAOYSA-N 1 0 419.569 4.473 20 30 HIEDRO CCN(CC)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)c1cccc(OC)c1 ZINC000479945312 895300706 /nfs/dbraw/zinc/30/07/06/895300706.db2.gz ANCALKQHMYWPJK-XMMPIXPASA-N 1 0 417.557 4.140 20 30 HIEDRO Cc1cc(C)n(-c2ccc(CC[NH2+]Cc3cn(C)nc3-c3ccc(C#N)cc3)cc2)n1 ZINC000480026503 895376277 /nfs/dbraw/zinc/37/62/77/895376277.db2.gz PURPSQOTPOYGHK-UHFFFAOYSA-N 1 0 410.525 4.094 20 30 HIEDRO C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000480293665 895699350 /nfs/dbraw/zinc/69/93/50/895699350.db2.gz QTNWPQVXHZGXLQ-SFHVURJKSA-N 1 0 419.529 4.197 20 30 HIEDRO C[NH+](C)[C@@]1(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CCSC1 ZINC000480370510 895778195 /nfs/dbraw/zinc/77/81/95/895778195.db2.gz MBGCHMPETUXUJW-OAQYLSRUSA-N 1 0 415.946 4.171 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H](CO)Cc3ccc(F)c(F)c3)c2)c1 ZINC000480475697 895855464 /nfs/dbraw/zinc/85/54/64/895855464.db2.gz YDHZRWAHMCROGI-QFIPXVFZSA-N 1 0 422.475 4.356 20 30 HIEDRO N#Cc1cnc2ccc(Cl)cc2c1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000480559138 895920402 /nfs/dbraw/zinc/92/04/02/895920402.db2.gz SYEPHSHAORWDJC-UHFFFAOYSA-N 1 0 408.855 4.399 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000481183397 896526912 /nfs/dbraw/zinc/52/69/12/896526912.db2.gz RUFXQZWZXVREOV-ZRCGQRJVSA-N 1 0 411.615 4.151 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000481286367 896631912 /nfs/dbraw/zinc/63/19/12/896631912.db2.gz PENRGZGGFSGGGC-UHFFFAOYSA-N 1 0 424.593 4.216 20 30 HIEDRO CC(C)(CC[NH+]1CCCCCC1)NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000481294263 896640364 /nfs/dbraw/zinc/64/03/64/896640364.db2.gz SANYPYIFKLSHSV-UHFFFAOYSA-N 1 0 412.513 4.049 20 30 HIEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000481619188 897003575 /nfs/dbraw/zinc/00/35/75/897003575.db2.gz BHRCWVCAYLOTEC-KRWDZBQOSA-N 1 0 410.493 4.272 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cc2F)c1 ZINC000481621511 897004859 /nfs/dbraw/zinc/00/48/59/897004859.db2.gz HLBQWQJQHVNEAP-NRFANRHFSA-N 1 0 422.504 4.368 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)N3CCC([NH+]4CCCC4)CC3)cc2F)c1 ZINC000481625939 897010498 /nfs/dbraw/zinc/01/04/98/897010498.db2.gz NDTUEWGEXFRKNH-UHFFFAOYSA-N 1 0 422.504 4.368 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000481669247 897053184 /nfs/dbraw/zinc/05/31/84/897053184.db2.gz NLJGXGNEWZRFNB-QHCPKHFHSA-N 1 0 423.582 4.290 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000481680068 897064665 /nfs/dbraw/zinc/06/46/65/897064665.db2.gz WVIFVGOMHHDDAP-XLIONFOSSA-N 1 0 415.331 4.118 20 30 HIEDRO N#Cc1cccc(NC(=O)C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)c1 ZINC000481714332 897106125 /nfs/dbraw/zinc/10/61/25/897106125.db2.gz FXPYOULPBKSKLC-LJQANCHMSA-N 1 0 402.267 4.139 20 30 HIEDRO CC[C@@H](Cc1ccccc1Br)[N@H+](C)CC(=O)Nc1sccc1C#N ZINC000481832230 897201005 /nfs/dbraw/zinc/20/10/05/897201005.db2.gz ORBWNPQJMBVBRO-HNNXBMFYSA-N 1 0 406.349 4.274 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCCCc2cc(C#N)ccc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000481916346 897299396 /nfs/dbraw/zinc/29/93/96/897299396.db2.gz CYQUUXAIRBEMOR-MZNJEOGPSA-N 1 0 403.526 4.334 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nnc(-c3c(F)cccc3Cl)s2)CC1 ZINC000481925761 897309641 /nfs/dbraw/zinc/30/96/41/897309641.db2.gz WFTWMNDAEBDPEM-UHFFFAOYSA-N 1 0 409.918 4.160 20 30 HIEDRO Cc1cc(NC(=O)C2(c3ccc(C#N)cc3)CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482015697 897416161 /nfs/dbraw/zinc/41/61/61/897416161.db2.gz JTGIYWRWAOGWRK-UHFFFAOYSA-N 1 0 402.542 4.067 20 30 HIEDRO CC1(C)C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@]2(CCCOC2)O1 ZINC000482446795 898010208 /nfs/dbraw/zinc/01/02/08/898010208.db2.gz CPBYCISQKCPCSN-VWLOTQADSA-N 1 0 406.526 4.297 20 30 HIEDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)[C@H]1Oc1ccccc1 ZINC000482515047 898101659 /nfs/dbraw/zinc/10/16/59/898101659.db2.gz VUUFWXVIVLTBHO-JBRSBNLGSA-N 1 0 416.525 4.178 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(N2CCCC2=O)c1 ZINC000482887464 898503038 /nfs/dbraw/zinc/50/30/38/898503038.db2.gz KHFBSQZPIDEAQD-XLIONFOSSA-N 1 0 406.505 4.144 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cccc(N2CCCC2=O)c1 ZINC000482887469 898503310 /nfs/dbraw/zinc/50/33/10/898503310.db2.gz KHFBSQZPIDEAQD-YLJYHZDGSA-N 1 0 406.505 4.144 20 30 HIEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c1 ZINC000483787897 899456618 /nfs/dbraw/zinc/45/66/18/899456618.db2.gz HGPLTOPKYBHVFW-UHFFFAOYSA-N 1 0 420.435 4.181 20 30 HIEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)Nc3ncccc3OCCCC#N)cc2)C1 ZINC000483893613 899566882 /nfs/dbraw/zinc/56/68/82/899566882.db2.gz KGSOPWACSJTIFV-IBGZPJMESA-N 1 0 421.545 4.318 20 30 HIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCOc3ccc(Cl)c(F)c3)CC2)c1 ZINC000484099147 899726012 /nfs/dbraw/zinc/72/60/12/899726012.db2.gz PBNCCXNQPSFIQF-UHFFFAOYSA-N 1 0 401.869 4.080 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1ccc(Br)cc1Cl ZINC000484655077 900099729 /nfs/dbraw/zinc/09/97/29/900099729.db2.gz YOMOVCYQPQWRDW-UHFFFAOYSA-N 1 0 412.740 4.496 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000485059408 900385885 /nfs/dbraw/zinc/38/58/85/900385885.db2.gz HOSMRPRKPBAQLX-HYFFOGBASA-N 1 0 403.592 4.186 20 30 HIEDRO N#Cc1cccc(OC2CC[NH+](CCC(=O)Nc3ccccc3C(F)(F)F)CC2)c1 ZINC000485136194 900438485 /nfs/dbraw/zinc/43/84/85/900438485.db2.gz UOKUDGPZIIYWAN-UHFFFAOYSA-N 1 0 417.431 4.449 20 30 HIEDRO COc1cc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1OC(C)C ZINC000485231641 900517482 /nfs/dbraw/zinc/51/74/82/900517482.db2.gz OAPSJYPROBXEFO-LAUBAEHRSA-N 1 0 407.514 4.200 20 30 HIEDRO CC[N@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)[C@H](C)c1ccc(C#N)cc1 ZINC000505788641 914453874 /nfs/dbraw/zinc/45/38/74/914453874.db2.gz BYXPVBPGWBNGLX-CJAUYULYSA-N 1 0 421.541 4.226 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(F)ccc1OCC1CC1 ZINC000485295539 900573173 /nfs/dbraw/zinc/57/31/73/900573173.db2.gz CMKMFLACLNWEBE-UHFFFAOYSA-N 1 0 410.493 4.082 20 30 HIEDRO CCCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000485328342 900611053 /nfs/dbraw/zinc/61/10/53/900611053.db2.gz AUYORCDMPJSEGK-UWJYYQICSA-N 1 0 407.514 4.202 20 30 HIEDRO CCCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000485328338 900611240 /nfs/dbraw/zinc/61/12/40/900611240.db2.gz AUYORCDMPJSEGK-LAUBAEHRSA-N 1 0 407.514 4.202 20 30 HIEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000485504140 900792281 /nfs/dbraw/zinc/79/22/81/900792281.db2.gz LOMMSRWQOHFHDM-XLIONFOSSA-N 1 0 420.561 4.132 20 30 HIEDRO N#Cc1ccnc(N2CC[NH+](CCSc3ccnc4cc(Cl)ccc43)CC2)c1 ZINC000485716171 900964318 /nfs/dbraw/zinc/96/43/18/900964318.db2.gz LDBKMVMDDBEDLY-UHFFFAOYSA-N 1 0 409.946 4.069 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(F)cc2OCCC(F)(F)F)CC1 ZINC000505859754 914506096 /nfs/dbraw/zinc/50/60/96/914506096.db2.gz BCSIWTVMMBDDLL-UHFFFAOYSA-N 1 0 403.420 4.319 20 30 HIEDRO N#CCCN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc2c(c1)OCCO2 ZINC000486250128 901432873 /nfs/dbraw/zinc/43/28/73/901432873.db2.gz KYAQYETUZUCOCY-UHFFFAOYSA-N 1 0 405.498 4.004 20 30 HIEDRO Clc1ccccc1C#CC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486827684 901880322 /nfs/dbraw/zinc/88/03/22/901880322.db2.gz YXCOPPNHAFJKDX-AUSIDOKSSA-N 1 0 404.901 4.190 20 30 HIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cccc(OCc4ccccc4)c3)C2=O)cc1 ZINC000486867500 901912552 /nfs/dbraw/zinc/91/25/52/901912552.db2.gz LXJMRTLBKAXLGG-VWLOTQADSA-N 1 0 411.505 4.028 20 30 HIEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N[C@H](C)CC[NH+](C)C ZINC000486904132 901949235 /nfs/dbraw/zinc/94/92/35/901949235.db2.gz WVZKWOYKGLWXIX-OAHLLOKOSA-N 1 0 414.575 4.095 20 30 HIEDRO C=CCc1cc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc(OC)c1OC ZINC000505930947 914582758 /nfs/dbraw/zinc/58/27/58/914582758.db2.gz USZKKKRPZZDFJW-RTBURBONSA-N 1 0 400.563 4.159 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000486966071 901993626 /nfs/dbraw/zinc/99/36/26/901993626.db2.gz JQXAJGCCGLOEKO-IERDGZPVSA-N 1 0 401.470 4.337 20 30 HIEDRO C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487285907 902136715 /nfs/dbraw/zinc/13/67/15/902136715.db2.gz KHKBORQWQZEZJV-REWPJTCUSA-N 1 0 405.542 4.134 20 30 HIEDRO C[C@H](NC(=O)CCCCOc1cccc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487285904 902136926 /nfs/dbraw/zinc/13/69/26/902136926.db2.gz KHKBORQWQZEZJV-NZQKXSOJSA-N 1 0 405.542 4.134 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)ccc1OC ZINC000505958253 914615385 /nfs/dbraw/zinc/61/53/85/914615385.db2.gz FFDSMMRRVOFXOH-FQEVSTJZSA-N 1 0 422.504 4.152 20 30 HIEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000487862644 902413372 /nfs/dbraw/zinc/41/33/72/902413372.db2.gz VRSMDQOJAREISS-HXUWFJFHSA-N 1 0 415.921 4.091 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3ccc(F)c(F)c3)sc2C1 ZINC000488497992 902855833 /nfs/dbraw/zinc/85/58/33/902855833.db2.gz VFOMCHLOSBEKQW-CYBMUJFWSA-N 1 0 403.498 4.483 20 30 HIEDRO CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)cc1 ZINC000488505392 902861156 /nfs/dbraw/zinc/86/11/56/902861156.db2.gz YRQFQOUGPKGKBT-PMACEKPBSA-N 1 0 412.331 4.163 20 30 HIEDRO C/C=C\COc1ccc(CC[C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488507688 902861814 /nfs/dbraw/zinc/86/18/14/902861814.db2.gz RHZVDTAPHUEPMJ-WTRHEOQFSA-N 1 0 417.553 4.225 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489791007 903601294 /nfs/dbraw/zinc/60/12/94/903601294.db2.gz YHPLKXGCIAEJFS-IRXDYDNUSA-N 1 0 412.347 4.159 20 30 HIEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000489835744 903620310 /nfs/dbraw/zinc/62/03/10/903620310.db2.gz CBPKAKHPFQJNKZ-AWEZNQCLSA-N 1 0 413.319 4.127 20 30 HIEDRO CC[NH+](CC)CCOc1ccccc1NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490541774 904088001 /nfs/dbraw/zinc/08/80/01/904088001.db2.gz JCHMYAYLDCDZFS-UHFFFAOYSA-N 1 0 403.530 4.291 20 30 HIEDRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]Cc2ccc(C#N)cc2)C1=O ZINC000506206366 914844290 /nfs/dbraw/zinc/84/42/90/914844290.db2.gz OOFUYWOCDAAHEG-IBGZPJMESA-N 1 0 412.331 4.223 20 30 HIEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)c1 ZINC000492355502 904838889 /nfs/dbraw/zinc/83/88/89/904838889.db2.gz HNAJGAFJSXCAKG-INIZCTEOSA-N 1 0 414.351 4.018 20 30 HIEDRO CCN(C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1)CC(F)(F)F ZINC000492482444 904855975 /nfs/dbraw/zinc/85/59/75/904855975.db2.gz HNHRQQVUCGMMOP-AWEZNQCLSA-N 1 0 404.274 4.027 20 30 HIEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]([C@@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)nc2c1 ZINC000492812743 904911165 /nfs/dbraw/zinc/91/11/65/904911165.db2.gz ZVWKYVNGRBWIFT-AUSIDOKSSA-N 1 0 413.525 4.118 20 30 HIEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000506233998 914855697 /nfs/dbraw/zinc/85/56/97/914855697.db2.gz PKRRMPDTBSTPGO-UHFFFAOYSA-N 1 0 411.521 4.012 20 30 HIEDRO C[C@H](CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1c[nH]c2ccccc21 ZINC000493046542 905002667 /nfs/dbraw/zinc/00/26/67/905002667.db2.gz DVTAOIRKDIIBLY-LJQANCHMSA-N 1 0 400.526 4.268 20 30 HIEDRO N#Cc1cc(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)ccc1F ZINC000493888924 905248816 /nfs/dbraw/zinc/24/88/16/905248816.db2.gz QPZQIPUJLKEZOY-AWEZNQCLSA-N 1 0 403.383 4.138 20 30 HIEDRO CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(C)(C)C[NH+]1CCCCCC1 ZINC000493975790 905322078 /nfs/dbraw/zinc/32/20/78/905322078.db2.gz HBRCXFDTIWGSDI-UHFFFAOYSA-N 1 0 409.530 4.457 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000493982747 905326237 /nfs/dbraw/zinc/32/62/37/905326237.db2.gz BKTMPUVWROMMKH-WIYYLYMNSA-N 1 0 404.482 4.301 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000493982744 905326478 /nfs/dbraw/zinc/32/64/78/905326478.db2.gz BKTMPUVWROMMKH-GHTZIAJQSA-N 1 0 404.482 4.301 20 30 HIEDRO CN(C(=O)c1ccc(COc2ccccc2C#N)o1)C(C)(C)C[NH+]1CCCCCC1 ZINC000494045859 905384378 /nfs/dbraw/zinc/38/43/78/905384378.db2.gz CLUWLNSTRFYUHZ-UHFFFAOYSA-N 1 0 409.530 4.457 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCCC[C@H]2C[C@H](C)O)c1C#N ZINC000512419750 921148123 /nfs/dbraw/zinc/14/81/23/921148123.db2.gz BWZGPUUPBLGEGA-JXFKEZNVSA-N 1 0 400.567 4.046 20 30 HIEDRO COc1ccc(C[NH2+]Cc2ccc(Br)cc2OC)cc1OCCCC#N ZINC000494404891 905696739 /nfs/dbraw/zinc/69/67/39/905696739.db2.gz LFHOIRDXQFBGKI-UHFFFAOYSA-N 1 0 419.319 4.439 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+](Cc2ccccc2)[C@@H](CO)C(C)C)c1C ZINC000494562477 905837525 /nfs/dbraw/zinc/83/75/25/905837525.db2.gz HBQSFPJBQAFADH-DEOSSOPVSA-N 1 0 407.558 4.069 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cc(Br)cs1 ZINC000494738022 905938171 /nfs/dbraw/zinc/93/81/71/905938171.db2.gz IHDKEXPGYGBYAD-LRDDRELGSA-N 1 0 404.333 4.228 20 30 HIEDRO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000494766508 905963225 /nfs/dbraw/zinc/96/32/25/905963225.db2.gz AAIQAVCIEOANGR-ICSRJNTNSA-N 1 0 420.557 4.049 20 30 HIEDRO C=C(C)C[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cnn(C(C)C)c1 ZINC000512506105 921205865 /nfs/dbraw/zinc/20/58/65/921205865.db2.gz HEUWBZLSBVSPAB-UHFFFAOYSA-N 1 0 411.575 4.293 20 30 HIEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000495247834 906336500 /nfs/dbraw/zinc/33/65/00/906336500.db2.gz CQSXONWCFYPEEE-UGSOOPFHSA-N 1 0 410.331 4.027 20 30 HIEDRO N#C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000496274927 906647150 /nfs/dbraw/zinc/64/71/50/906647150.db2.gz ZXPOAPZMOIYTHB-ICSRJNTNSA-N 1 0 412.331 4.042 20 30 HIEDRO C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000496291900 906651021 /nfs/dbraw/zinc/65/10/21/906651021.db2.gz PSEBOMZZOYQCKI-UHFFFAOYSA-N 1 0 421.472 4.073 20 30 HIEDRO Cc1ccc(-c2ncc(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)s2)o1 ZINC000512616962 921263155 /nfs/dbraw/zinc/26/31/55/921263155.db2.gz JQXBVHXMVATKLP-UHFFFAOYSA-N 1 0 406.511 4.434 20 30 HIEDRO CC[N@H+](CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@H](C)c1ccc(C#N)cc1 ZINC000497590490 907072118 /nfs/dbraw/zinc/07/21/18/907072118.db2.gz IIQBIOKZRFUFTP-CQSZACIVSA-N 1 0 407.411 4.415 20 30 HIEDRO CC[N@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497599358 907078695 /nfs/dbraw/zinc/07/86/95/907078695.db2.gz BDBDUFQGTURPTH-FQEVSTJZSA-N 1 0 405.542 4.149 20 30 HIEDRO CC[N@H+](CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000497599747 907080623 /nfs/dbraw/zinc/08/06/23/907080623.db2.gz KPXQRNAZLLLUPL-ZWKOTPCHSA-N 1 0 409.530 4.144 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC2(CC1)OCCc1ccsc12)C(C)C ZINC000498141874 907663778 /nfs/dbraw/zinc/66/37/78/907663778.db2.gz MSBMIRONHUFMFW-FQEVSTJZSA-N 1 0 417.619 4.020 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000498399504 907881382 /nfs/dbraw/zinc/88/13/82/907881382.db2.gz GGQQQUGWNMNDEP-REWPJTCUSA-N 1 0 420.513 4.065 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(Cl)c(Cl)c1 ZINC000499048987 908421445 /nfs/dbraw/zinc/42/14/45/908421445.db2.gz VQAJKCOFPCPFRZ-UHFFFAOYSA-N 1 0 404.341 4.388 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000499109042 908469171 /nfs/dbraw/zinc/46/91/71/908469171.db2.gz DBHAZTHBRWZCPE-XUZZJYLKSA-N 1 0 423.605 4.462 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000499342667 908716034 /nfs/dbraw/zinc/71/60/34/908716034.db2.gz JRCLCFRQDYBFHJ-UHFFFAOYSA-N 1 0 424.492 4.065 20 30 HIEDRO N#C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000499397244 908758649 /nfs/dbraw/zinc/75/86/49/908758649.db2.gz WSQOTQYKPIQCOD-ICSRJNTNSA-N 1 0 412.331 4.042 20 30 HIEDRO C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000499576902 908845402 /nfs/dbraw/zinc/84/54/02/908845402.db2.gz RPAAAQSSANZKPU-APWZRJJASA-N 1 0 407.352 4.311 20 30 HIEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C[C@@H]1C ZINC000499608316 908854717 /nfs/dbraw/zinc/85/47/17/908854717.db2.gz RARNYQJQKBFTPS-DLBZAZTESA-N 1 0 408.502 4.306 20 30 HIEDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000499724558 908891063 /nfs/dbraw/zinc/89/10/63/908891063.db2.gz JPASSVFPPVCYCJ-INIZCTEOSA-N 1 0 414.347 4.015 20 30 HIEDRO C[NH+](C)CCCC1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000500223962 909715095 /nfs/dbraw/zinc/71/50/95/909715095.db2.gz JLNFPSXOVLEMAS-UHFFFAOYSA-N 1 0 411.575 4.191 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C ZINC000500625832 909976610 /nfs/dbraw/zinc/97/66/10/909976610.db2.gz WCPKPBHFRYJDEM-DBXWQHBBSA-N 1 0 421.589 4.177 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000513107909 921556168 /nfs/dbraw/zinc/55/61/68/921556168.db2.gz JDKRJQROSXGYLC-ZWKOTPCHSA-N 1 0 424.524 4.001 20 30 HIEDRO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000501021555 910238656 /nfs/dbraw/zinc/23/86/56/910238656.db2.gz QYZSMKFJOSZQQW-ROUUACIJSA-N 1 0 409.530 4.217 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000501092947 910292139 /nfs/dbraw/zinc/29/21/39/910292139.db2.gz AHDQDSBOWVVFAN-HSZRJFAPSA-N 1 0 406.530 4.250 20 30 HIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCOc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000501332527 910472631 /nfs/dbraw/zinc/47/26/31/910472631.db2.gz YCNBQXIKSMIHNP-UHFFFAOYSA-N 1 0 417.431 4.307 20 30 HIEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000501569386 910675081 /nfs/dbraw/zinc/67/50/81/910675081.db2.gz SQAPLLRJPKQTAH-UHFFFAOYSA-N 1 0 416.525 4.482 20 30 HIEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000501833938 910874950 /nfs/dbraw/zinc/87/49/50/910874950.db2.gz XPUVBPGHMOAGQV-LJQANCHMSA-N 1 0 406.530 4.328 20 30 HIEDRO CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)ccn1)[NH+](C)C ZINC000502099613 911036469 /nfs/dbraw/zinc/03/64/69/911036469.db2.gz SDQKEFADRDOCOC-HXUWFJFHSA-N 1 0 419.356 4.489 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)CC2)cc1 ZINC000502294478 911253692 /nfs/dbraw/zinc/25/36/92/911253692.db2.gz RRCJZSRKODNTBS-UHFFFAOYSA-N 1 0 418.516 4.161 20 30 HIEDRO CC(C)c1ccccc1OCCC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000502319751 911293765 /nfs/dbraw/zinc/29/37/65/911293765.db2.gz KMYZMQYNAZFPCC-UHFFFAOYSA-N 1 0 405.542 4.185 20 30 HIEDRO Cc1nc(SCC(=O)Nc2ccccc2NC2CC[NH+](C)CC2)c(C#N)c(C)c1C ZINC000502624524 911652838 /nfs/dbraw/zinc/65/28/38/911652838.db2.gz ZUXACMYQDNRHCD-UHFFFAOYSA-N 1 0 423.586 4.115 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000502708892 911741887 /nfs/dbraw/zinc/74/18/87/911741887.db2.gz ZMCHQMMTEMBPST-RXVVDRJESA-N 1 0 404.539 4.241 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(-c4ccncc4)cc3F)CC2)cc1 ZINC000506295492 914891002 /nfs/dbraw/zinc/89/10/02/914891002.db2.gz RCLYDEFQAJPNRC-UHFFFAOYSA-N 1 0 400.501 4.467 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)C[C@H]1OCCc2ccccc21 ZINC000507234284 915992776 /nfs/dbraw/zinc/99/27/76/915992776.db2.gz PZSUPOMQVISSGW-IIBYNOLFSA-N 1 0 423.582 4.461 20 30 HIEDRO CC1CC[NH+]([C@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c2ccccc2)CC1 ZINC000507503845 916269955 /nfs/dbraw/zinc/26/99/55/916269955.db2.gz HZXALVVASAVCQY-HSZRJFAPSA-N 1 0 405.517 4.318 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCN(C(=O)CCc3ccccc3)C2)CC1 ZINC000507619708 916379152 /nfs/dbraw/zinc/37/91/52/916379152.db2.gz WNBCLRCRTUTPIB-QWJQGLKASA-N 1 0 401.554 4.214 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 ZINC000507621606 916381246 /nfs/dbraw/zinc/38/12/46/916381246.db2.gz OHBQUXSTJJZMQY-XRODLIKFSA-N 1 0 403.526 4.298 20 30 HIEDRO CC[N@H+](CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000507689407 916462744 /nfs/dbraw/zinc/46/27/44/916462744.db2.gz SMEKFWWIRNPAFV-MBSDFSHPSA-N 1 0 421.541 4.322 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccccc3OCC(F)(F)F)CC2)nc1 ZINC000507749876 916539050 /nfs/dbraw/zinc/53/90/50/916539050.db2.gz VENYLEYXLFNNQA-UHFFFAOYSA-N 1 0 405.420 4.374 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cc(Cl)c4c(c3)OCCCO4)CC2)nc1 ZINC000507766270 916550658 /nfs/dbraw/zinc/55/06/58/916550658.db2.gz JUEAYULBLDSOAY-UHFFFAOYSA-N 1 0 413.905 4.248 20 30 HIEDRO Cn1cc(CN[C@@H]2CCCc3cn(C4CCCC4)nc32)c(-c2ccc(C#N)cc2)n1 ZINC000507926963 916802532 /nfs/dbraw/zinc/80/25/32/916802532.db2.gz HRJNZCBVGZQUAM-JOCHJYFZSA-N 1 0 400.530 4.438 20 30 HIEDRO CC(C)(CCC#N)C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000508055770 916881592 /nfs/dbraw/zinc/88/15/92/916881592.db2.gz YJFMCXJTUXYYLO-QHCPKHFHSA-N 1 0 407.533 4.241 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(C)(C#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000508431391 917219031 /nfs/dbraw/zinc/21/90/31/917219031.db2.gz QPSJUXDXRNKXLP-MJGOQNOKSA-N 1 0 422.495 4.424 20 30 HIEDRO C=CCn1c(-c2cc(C)oc2C)nnc1N1CC[NH+]([C@H](C)c2cccc(OC)c2)CC1 ZINC000508477345 917262382 /nfs/dbraw/zinc/26/23/82/917262382.db2.gz KHWZVAFTXUJCIV-GOSISDBHSA-N 1 0 421.545 4.233 20 30 HIEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508494230 917278045 /nfs/dbraw/zinc/27/80/45/917278045.db2.gz OETPYKQKIKUYSU-KRWDZBQOSA-N 1 0 415.969 4.105 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000508563400 917337973 /nfs/dbraw/zinc/33/79/73/917337973.db2.gz KHLYARUEQPLEOZ-JOCHJYFZSA-N 1 0 409.480 4.230 20 30 HIEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000508851358 917604319 /nfs/dbraw/zinc/60/43/19/917604319.db2.gz GVZJGQBZOVLUKS-NTKDMRAZSA-N 1 0 420.557 4.111 20 30 HIEDRO C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508876777 917630474 /nfs/dbraw/zinc/63/04/74/917630474.db2.gz YSRQINRCCSURPT-LEWJYISDSA-N 1 0 409.578 4.286 20 30 HIEDRO C=CCn1c(-c2ccccc2C)nnc1N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000508906719 917662239 /nfs/dbraw/zinc/66/22/39/917662239.db2.gz IEFGACMPZZBAFE-NHCUHLMSSA-N 1 0 423.605 4.155 20 30 HIEDRO C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508911323 917668860 /nfs/dbraw/zinc/66/88/60/917668860.db2.gz AELXPCXZMMGMDX-HKUYNNGSSA-N 1 0 415.969 4.322 20 30 HIEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000508949321 917706430 /nfs/dbraw/zinc/70/64/30/917706430.db2.gz HDKNEKJIMKLOHZ-FQEVSTJZSA-N 1 0 418.589 4.484 20 30 HIEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508955155 917711610 /nfs/dbraw/zinc/71/16/10/917711610.db2.gz DDWOPSWAKOOFLP-GOTSBHOMSA-N 1 0 421.589 4.022 20 30 HIEDRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000509006813 917762173 /nfs/dbraw/zinc/76/21/73/917762173.db2.gz MRLWUIMSJMKKQW-MRXNPFEDSA-N 1 0 414.534 4.496 20 30 HIEDRO C[C@@H](OC[C@@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000509062489 917809890 /nfs/dbraw/zinc/80/98/90/917809890.db2.gz GXCWHTLFWAQJRY-UTKZUKDTSA-N 1 0 414.933 4.194 20 30 HIEDRO COc1ccccc1C[N@H+](CCO)Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000509115225 917851683 /nfs/dbraw/zinc/85/16/83/917851683.db2.gz ZAJLTULBHSDDSX-UHFFFAOYSA-N 1 0 402.494 4.140 20 30 HIEDRO C=CCc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)cc(OC)c1O ZINC000509372948 918037341 /nfs/dbraw/zinc/03/73/41/918037341.db2.gz PCCOTIYAQNKRPN-KRWDZBQOSA-N 1 0 415.921 4.028 20 30 HIEDRO N#C[C@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccc(Cl)cc1 ZINC000510319238 918828343 /nfs/dbraw/zinc/82/83/43/918828343.db2.gz LRJMLWBKNFELHE-MOPGFXCFSA-N 1 0 403.860 4.178 20 30 HIEDRO CCOc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1Cl ZINC000510413301 918883016 /nfs/dbraw/zinc/88/30/16/918883016.db2.gz OPBPMWQIFFNQJA-UHFFFAOYSA-N 1 0 400.910 4.206 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CCC[C@H]([NH+]3CCCC3)C2)cc1OC ZINC000510485676 918937911 /nfs/dbraw/zinc/93/79/11/918937911.db2.gz PBCVSCOOFQZINT-KRWDZBQOSA-N 1 0 409.368 4.083 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000510522440 918968010 /nfs/dbraw/zinc/96/80/10/918968010.db2.gz HQSPOLNRYRYOQH-UHFFFAOYSA-N 1 0 412.921 4.396 20 30 HIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1 ZINC000510806485 919282796 /nfs/dbraw/zinc/28/27/96/919282796.db2.gz KYTDETDVBBMWDJ-UHFFFAOYSA-N 1 0 404.558 4.143 20 30 HIEDRO Cc1oc(NC(=O)C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)c(C#N)c1C ZINC000511614036 920266028 /nfs/dbraw/zinc/26/60/28/920266028.db2.gz ZDJKGRNFBCCKCI-GOSISDBHSA-N 1 0 407.392 4.346 20 30 HIEDRO CCc1ccc([C@@H](CNC(=O)c2ccc(COc3ccccc3C#N)o2)[NH+](C)C)cc1 ZINC000511816809 920513954 /nfs/dbraw/zinc/51/39/54/920513954.db2.gz HAOMSJYBBWCKPP-JOCHJYFZSA-N 1 0 417.509 4.325 20 30 HIEDRO C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511931743 920680652 /nfs/dbraw/zinc/68/06/52/920680652.db2.gz KBYNBOHCLOXFBT-LPHOPBHVSA-N 1 0 423.586 4.380 20 30 HIEDRO CCN(CC)C(=O)C1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000512214704 920962325 /nfs/dbraw/zinc/96/23/25/920962325.db2.gz SRNVIKDGMOUYSW-UHFFFAOYSA-N 1 0 405.542 4.218 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CCC[C@@H]2C[NH+]2CCCC2)cc1OC ZINC000512294754 921050050 /nfs/dbraw/zinc/05/00/50/921050050.db2.gz YCEMSIZSBKTSJW-QGZVFWFLSA-N 1 0 409.368 4.083 20 30 HIEDRO C=C(C)C[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 ZINC000512349885 921096485 /nfs/dbraw/zinc/09/64/85/921096485.db2.gz CBZZRGAXJMDTFQ-UHFFFAOYSA-N 1 0 408.420 4.397 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)c(-c2ccccc2)n1 ZINC000513716776 922036598 /nfs/dbraw/zinc/03/65/98/922036598.db2.gz IQLNISRURKAYNZ-UHFFFAOYSA-N 1 0 411.509 4.379 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000514511974 922664538 /nfs/dbraw/zinc/66/45/38/922664538.db2.gz OGXUCFZJUBJQKJ-QGZVFWFLSA-N 1 0 411.575 4.382 20 30 HIEDRO COc1cc(C[N@@H+]2CC[C@H](n3cc(C)cn3)C2)ccc1OCc1cccc(C#N)c1 ZINC000514820151 922813670 /nfs/dbraw/zinc/81/36/70/922813670.db2.gz NONGOPFTNNXBDW-QFIPXVFZSA-N 1 0 402.498 4.098 20 30 HIEDRO C[C@@]12CCC[N@@H+]1C[C@@H](c1noc(-c3ccc(OCc4ccccc4C#N)cc3)n1)OC2 ZINC000514928404 922846637 /nfs/dbraw/zinc/84/66/37/922846637.db2.gz UNUVQJCMTAUVOX-URXFXBBRSA-N 1 0 416.481 4.113 20 30 HIEDRO N#Cc1c(NC(=O)C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)sc2c1CCCCC2 ZINC000515394006 923079865 /nfs/dbraw/zinc/07/98/65/923079865.db2.gz QWJJXEZYSSMPAB-SFHVURJKSA-N 1 0 417.962 4.194 20 30 HIEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000515623906 923223674 /nfs/dbraw/zinc/22/36/74/923223674.db2.gz ARLSJCKPHMOWQW-FCEUIQTBSA-N 1 0 418.459 4.437 20 30 HIEDRO CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000516217534 923606217 /nfs/dbraw/zinc/60/62/17/923606217.db2.gz MNYDXVJNZUFURO-ZHRRBRCNSA-N 1 0 409.509 4.165 20 30 HIEDRO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3cccc(COc4ccc(C#N)cc4)c3)n1)OC2 ZINC000517435721 924184919 /nfs/dbraw/zinc/18/49/19/924184919.db2.gz QSQYRFRWPULPNR-QPPBQGQZSA-N 1 0 416.481 4.113 20 30 HIEDRO CCC[NH+]1CCC(CNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000517470253 924212714 /nfs/dbraw/zinc/21/27/14/924212714.db2.gz BMLVXNZOCXOEIF-UHFFFAOYSA-N 1 0 419.529 4.054 20 30 HIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000517581182 926694183 /nfs/dbraw/zinc/69/41/83/926694183.db2.gz GZDJPHNGFCWKMP-JOCHJYFZSA-N 1 0 422.548 4.328 20 30 HIEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000517714460 926810199 /nfs/dbraw/zinc/81/01/99/926810199.db2.gz NLFMWUUEJIPZSO-WIYYLYMNSA-N 1 0 422.573 4.090 20 30 HIEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000517749387 926821965 /nfs/dbraw/zinc/82/19/65/926821965.db2.gz YREVHNAJVRKZDE-NRFANRHFSA-N 1 0 406.530 4.183 20 30 HIEDRO CCO[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)C12CCCC2 ZINC000518008123 926947988 /nfs/dbraw/zinc/94/79/88/926947988.db2.gz SJPPEZYFBBWWJU-RBUKOAKNSA-N 1 0 401.576 4.155 20 30 HIEDRO C=CCn1c(-c2ccccn2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000518152685 927048915 /nfs/dbraw/zinc/04/89/15/927048915.db2.gz UDLKYTITCFWUBI-CTNGQTDRSA-N 1 0 402.546 4.015 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@H](CN2CCOCC2)c2ccc(C)cc2)cc1Cl ZINC000518271556 927130875 /nfs/dbraw/zinc/13/08/75/927130875.db2.gz ZMEOSTZVFBIPRF-JOCHJYFZSA-N 1 0 400.950 4.376 20 30 HIEDRO CCOc1cccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1OC(F)F ZINC000518302743 927163103 /nfs/dbraw/zinc/16/31/03/927163103.db2.gz WOAGJAMKIYZNLB-KRWDZBQOSA-N 1 0 419.447 4.456 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000518683564 927430337 /nfs/dbraw/zinc/43/03/37/927430337.db2.gz XWUCXUVEEGKYQQ-QGZVFWFLSA-N 1 0 412.559 4.200 20 30 HIEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)[N@H+](C)CCCCCc1cc(-c2ccccc2)n[nH]1 ZINC000518863322 927570690 /nfs/dbraw/zinc/57/06/90/927570690.db2.gz CWRAEPIKLLGZGB-HXUWFJFHSA-N 1 0 421.589 4.452 20 30 HIEDRO C[C@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)[N@H+](C)Cc1ccccc1 ZINC000519570018 928019732 /nfs/dbraw/zinc/01/97/32/928019732.db2.gz DMNGAMRWYQJLKT-GOSISDBHSA-N 1 0 415.497 4.388 20 30 HIEDRO N#Cc1cc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)ccc1OCC(F)(F)F ZINC000519628762 928032963 /nfs/dbraw/zinc/03/29/63/928032963.db2.gz CKIPRKKJSYEUFG-UHFFFAOYSA-N 1 0 403.404 4.347 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1C ZINC000519885397 928119205 /nfs/dbraw/zinc/11/92/05/928119205.db2.gz QAPVZBGPTPDAGX-UHFFFAOYSA-N 1 0 407.562 4.027 20 30 HIEDRO CC(C)[N@@H+](Cc1cc(Br)ccc1F)C[C@H](O)COc1ccc(C#N)cc1 ZINC000519908866 928142579 /nfs/dbraw/zinc/14/25/79/928142579.db2.gz VEIIYGYXQGTOOA-SFHVURJKSA-N 1 0 421.310 4.110 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000520144173 928338048 /nfs/dbraw/zinc/33/80/48/928338048.db2.gz SXFVZSUNPIHICU-ROUUACIJSA-N 1 0 402.539 4.049 20 30 HIEDRO CC(C)[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[NH+]1CCC(C)CC1 ZINC000520322874 928486139 /nfs/dbraw/zinc/48/61/39/928486139.db2.gz JODUPIABARYNTR-JOCHJYFZSA-N 1 0 406.530 4.232 20 30 HIEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000520718637 928768988 /nfs/dbraw/zinc/76/89/88/928768988.db2.gz QDDFYTNQHWIOFQ-FQEVSTJZSA-N 1 0 417.484 4.392 20 30 HIEDRO CCc1cccc2c(C3CC[NH+](CC(=O)NCc4cccc(C#N)c4)CC3)c[nH]c21 ZINC000521188016 929051295 /nfs/dbraw/zinc/05/12/95/929051295.db2.gz GAQTXFLMRQIWQB-UHFFFAOYSA-N 1 0 400.526 4.098 20 30 HIEDRO Cc1nc(SCC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c(C#N)c(C)c1C ZINC000521339935 929154939 /nfs/dbraw/zinc/15/49/39/929154939.db2.gz HXKAUMNJFIYNMK-SFHVURJKSA-N 1 0 410.587 4.216 20 30 HIEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000521494487 929250925 /nfs/dbraw/zinc/25/09/25/929250925.db2.gz IEDWXTOODOPJBN-UHFFFAOYSA-N 1 0 420.492 4.047 20 30 HIEDRO CC(C)(C#N)c1ccc(NC(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000521851851 929501895 /nfs/dbraw/zinc/50/18/95/929501895.db2.gz OFEZYORAIMEQJD-NHCUHLMSSA-N 1 0 402.542 4.474 20 30 HIEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ncc(-c2ccccc2)o1 ZINC000524802523 929835800 /nfs/dbraw/zinc/83/58/00/929835800.db2.gz ADGDFKHCJKNSPB-GOSISDBHSA-N 1 0 417.513 4.048 20 30 HIEDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1OC ZINC000525248419 930104987 /nfs/dbraw/zinc/10/49/87/930104987.db2.gz WHJQPHKNLMPEBL-IAGOWNOFSA-N 1 0 413.493 4.219 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000525413438 930226173 /nfs/dbraw/zinc/22/61/73/930226173.db2.gz JWCQYLZZHWRYTR-IBGZPJMESA-N 1 0 406.530 4.474 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nnn(-c3ccc(C(C)(C)C)cc3)c2CCC)CC1 ZINC000525569190 930335654 /nfs/dbraw/zinc/33/56/54/930335654.db2.gz LPUIZZJDBWHISO-UHFFFAOYSA-N 1 0 423.605 4.288 20 30 HIEDRO C=CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1OC ZINC000525570773 930336733 /nfs/dbraw/zinc/33/67/33/930336733.db2.gz UDSWQXSNHHCQMA-DYESRHJHSA-N 1 0 400.544 4.134 20 30 HIEDRO C[C@@H](Cc1cccs1)[N@H+](CC(=O)NC1(C#N)CCC1)Cc1ccc(Cl)cc1 ZINC000526135721 930541857 /nfs/dbraw/zinc/54/18/57/930541857.db2.gz GSZDCGQMPMTPLX-INIZCTEOSA-N 1 0 401.963 4.397 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc1 ZINC000530356729 930691723 /nfs/dbraw/zinc/69/17/23/930691723.db2.gz CAMPXHGENVMPCG-DHIUTWEWSA-N 1 0 418.541 4.068 20 30 HIEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@@H]1c1ccccc1 ZINC000530515691 930734845 /nfs/dbraw/zinc/73/48/45/930734845.db2.gz KFBHIPIITCUYOM-MJGOQNOKSA-N 1 0 418.419 4.066 20 30 HIEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C#N)c2ccc(Cl)c(Cl)c2)CC1 ZINC000531203877 930963919 /nfs/dbraw/zinc/96/39/19/930963919.db2.gz AHAQSJZVZVXFOG-GOSISDBHSA-N 1 0 403.313 4.294 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc2sc(Nc3ccccc3)nc2s1 ZINC000531814356 931206988 /nfs/dbraw/zinc/20/69/88/931206988.db2.gz RCGPRCBYCWLPGC-UHFFFAOYSA-N 1 0 413.572 4.409 20 30 HIEDRO N#CCCN(CCC#N)C(=O)C[NH+]1CCC(CCc2cccc(C(F)(F)F)c2)CC1 ZINC000531841479 931217111 /nfs/dbraw/zinc/21/71/11/931217111.db2.gz FUSSZZRBQBWMSQ-UHFFFAOYSA-N 1 0 420.479 4.006 20 30 HIEDRO CC(C)(C#N)CCC[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000531903092 931240766 /nfs/dbraw/zinc/24/07/66/931240766.db2.gz DTEJXPKHVDDOBA-HXUWFJFHSA-N 1 0 406.498 4.377 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cc(Br)cs1 ZINC000532476987 931453446 /nfs/dbraw/zinc/45/34/46/931453446.db2.gz YIUIDCDQKNVGHB-UHFFFAOYSA-N 1 0 424.389 4.393 20 30 HIEDRO COc1ccc([C@@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)c2ccc(F)cc2)cc1 ZINC000532703543 931596469 /nfs/dbraw/zinc/59/64/69/931596469.db2.gz ZWGSCJOWGFQSJT-DEOSSOPVSA-N 1 0 403.457 4.414 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000532768743 931627504 /nfs/dbraw/zinc/62/75/04/931627504.db2.gz DRGSNNBCADFJIT-MOPGFXCFSA-N 1 0 411.571 4.002 20 30 HIEDRO C[N@H+](CCCCCc1cc(-c2cccc(F)c2)no1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000533260734 931821552 /nfs/dbraw/zinc/82/15/52/931821552.db2.gz LZOSXEWMPKLQMC-HSZRJFAPSA-N 1 0 420.488 4.224 20 30 HIEDRO CCCO[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000533419563 931862792 /nfs/dbraw/zinc/86/27/92/931862792.db2.gz HHHMWHFKKWQYJX-SJORKVTESA-N 1 0 403.592 4.354 20 30 HIEDRO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000533432123 931867279 /nfs/dbraw/zinc/86/72/79/931867279.db2.gz WATJMBPVKCNSQK-DQLDELGASA-N 1 0 415.603 4.353 20 30 HIEDRO C=CCC[C@@H]([NH2+]Cc1cnc(N2CCN(C)CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000533528503 931894786 /nfs/dbraw/zinc/89/47/86/931894786.db2.gz QYRLODKGADWIBV-HXUWFJFHSA-N 1 0 419.495 4.044 20 30 HIEDRO C=CCC[C@H]([NH2+]Cc1cnc(N2CCN(C)CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000533528502 931894983 /nfs/dbraw/zinc/89/49/83/931894983.db2.gz QYRLODKGADWIBV-FQEVSTJZSA-N 1 0 419.495 4.044 20 30 HIEDRO C[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1nc(-c2ccccc2)no1 ZINC000534094242 932274326 /nfs/dbraw/zinc/27/43/26/932274326.db2.gz ALXFBZWGOZOZCQ-SFHVURJKSA-N 1 0 412.497 4.407 20 30 HIEDRO C[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1nc(-c2ccccc2)no1 ZINC000534094241 932274527 /nfs/dbraw/zinc/27/45/27/932274527.db2.gz ALXFBZWGOZOZCQ-GOSISDBHSA-N 1 0 412.497 4.407 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(Nc3ccccn3)CC1)CCCCC2 ZINC000534127485 932292131 /nfs/dbraw/zinc/29/21/31/932292131.db2.gz CQCIAKSRWWTPHX-UHFFFAOYSA-N 1 0 423.586 4.189 20 30 HIEDRO CN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534195240 932325197 /nfs/dbraw/zinc/32/51/97/932325197.db2.gz DTHKZCSPYYOQNZ-LEWJYISDSA-N 1 0 417.985 4.013 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2C)CC1 ZINC000534564560 932567729 /nfs/dbraw/zinc/56/77/29/932567729.db2.gz AYWARLFZWHDZKH-UHFFFAOYSA-N 1 0 406.452 4.174 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)sc2c1CCC2 ZINC000534689574 932660402 /nfs/dbraw/zinc/66/04/02/932660402.db2.gz AZUQYFOSPWMESB-MRXNPFEDSA-N 1 0 415.946 4.244 20 30 HIEDRO Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534959158 932860246 /nfs/dbraw/zinc/86/02/46/932860246.db2.gz CYLJRBMQEBVBQF-OXQOHEQNSA-N 1 0 400.885 4.474 20 30 HIEDRO COc1ccc(C#N)cc1NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534965592 932864807 /nfs/dbraw/zinc/86/48/07/932864807.db2.gz XIXYVCNCMCCHEV-UHFFFAOYSA-N 1 0 404.514 4.087 20 30 HIEDRO CC(=O)c1ccc2c(c1)CCN([C@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)CC2 ZINC000535213954 933019765 /nfs/dbraw/zinc/01/97/65/933019765.db2.gz AYPIDZSIBLOCLD-HXUWFJFHSA-N 1 0 417.553 4.242 20 30 HIEDRO COc1ccc(C[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000535629390 933274313 /nfs/dbraw/zinc/27/43/13/933274313.db2.gz ZOTDJCDQDSZXAB-MOPGFXCFSA-N 1 0 411.521 4.280 20 30 HIEDRO COc1ccc(C#N)cc1NC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535680703 933333522 /nfs/dbraw/zinc/33/35/22/933333522.db2.gz OVFOTJBZRQKRAA-QRWLVFNGSA-N 1 0 416.884 4.174 20 30 HIEDRO C[C@H](NC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000535684317 933338684 /nfs/dbraw/zinc/33/86/84/933338684.db2.gz UKIXPQJLDXQBIL-FIKMYACPSA-N 1 0 414.912 4.404 20 30 HIEDRO N#Cc1ccc(Cc2cnc(NC(=O)NC3CC[NH+](CC4CCCC4)CC3)s2)cc1 ZINC000535758254 933377479 /nfs/dbraw/zinc/37/74/79/933377479.db2.gz MORQUPXHCRAXHW-UHFFFAOYSA-N 1 0 423.586 4.382 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2C2CCOCC2)sc2c1CCCCC2 ZINC000537527771 933800663 /nfs/dbraw/zinc/80/06/63/933800663.db2.gz OPXTVLDPXPCRFZ-LJQANCHMSA-N 1 0 401.576 4.108 20 30 HIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2S[C@@H](C)CC#N)c1 ZINC000538130109 938515170 /nfs/dbraw/zinc/51/51/70/938515170.db2.gz ZQBSOWHBWZDUOW-JKSUJKDBSA-N 1 0 410.543 4.329 20 30 HIEDRO COc1cc([C@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)ccc1OC1CCCC1 ZINC000538152262 938524422 /nfs/dbraw/zinc/52/44/22/938524422.db2.gz WKLCGUGCYAOIIF-SFHVURJKSA-N 1 0 413.562 4.352 20 30 HIEDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)cc1OC ZINC000538167188 938533019 /nfs/dbraw/zinc/53/30/19/938533019.db2.gz HVIPPHKMBHARSL-LJQANCHMSA-N 1 0 409.530 4.308 20 30 HIEDRO N#Cc1c(NC(=O)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)sc2c1CCCCC2 ZINC000538186582 938542578 /nfs/dbraw/zinc/54/25/78/938542578.db2.gz SXONFWQLDLZETJ-VGSWGCGISA-N 1 0 409.555 4.195 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)c1C#N ZINC000538186800 938542802 /nfs/dbraw/zinc/54/28/02/938542802.db2.gz BSCIRCCZYLLSKQ-RDPSFJRHSA-N 1 0 420.557 4.398 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)ccc1Cl ZINC000538198846 938551157 /nfs/dbraw/zinc/55/11/57/938551157.db2.gz SXEIHKQGWSEMGJ-XXBNENTESA-N 1 0 411.933 4.263 20 30 HIEDRO C=CCC[C@@H]([NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccccc1 ZINC000538259611 938577138 /nfs/dbraw/zinc/57/71/38/938577138.db2.gz JHJQGCKETNXHCT-HSZRJFAPSA-N 1 0 405.542 4.161 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)ccc1Cl ZINC000538278686 938581944 /nfs/dbraw/zinc/58/19/44/938581944.db2.gz ABSYYVXIRSUVTH-FQEVSTJZSA-N 1 0 401.942 4.006 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000538277949 938582047 /nfs/dbraw/zinc/58/20/47/938582047.db2.gz WBTSQWMFHSMZAN-RBUKOAKNSA-N 1 0 408.521 4.412 20 30 HIEDRO C[C@H](c1ccccc1)N1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000538394585 938610001 /nfs/dbraw/zinc/61/00/01/938610001.db2.gz GNLLCFYQWNTKMB-OAQYLSRUSA-N 1 0 402.586 4.338 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccccc3OCC(F)(F)F)CC2)cc1 ZINC000538397577 938610473 /nfs/dbraw/zinc/61/04/73/938610473.db2.gz NPWJWIHMCBJNKN-UHFFFAOYSA-N 1 0 403.448 4.254 20 30 HIEDRO CC(C)N1CC[C@H](NC(=O)COc2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538600929 938659066 /nfs/dbraw/zinc/65/90/66/938659066.db2.gz LSLZUSOMYLIHPJ-UGKGYDQZSA-N 1 0 415.896 4.070 20 30 HIEDRO Cc1ccc(C(C)C)cc1OCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000538694770 938685469 /nfs/dbraw/zinc/68/54/69/938685469.db2.gz MMSBJBRBKWYBBC-UHFFFAOYSA-N 1 0 405.542 4.172 20 30 HIEDRO C[C@@H](c1cccnc1)N1CCN(Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000538739575 938697739 /nfs/dbraw/zinc/69/77/39/938697739.db2.gz AZJRYPWDYNIGHH-NRFANRHFSA-N 1 0 412.537 4.411 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(Cc3cccnc3)CC1)CCCC2 ZINC000538946561 938744627 /nfs/dbraw/zinc/74/46/27/938744627.db2.gz AIYPTTXSIOOJQF-UHFFFAOYSA-N 1 0 408.571 4.177 20 30 HIEDRO CC[N@H+](CCC1CCN([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1)CC(C)C ZINC000539098542 938802755 /nfs/dbraw/zinc/80/27/55/938802755.db2.gz UBUDYQVAKDXUMG-SFHVURJKSA-N 1 0 402.583 4.175 20 30 HIEDRO C[NH+](C)CCOc1cccc(NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1 ZINC000539126334 938807076 /nfs/dbraw/zinc/80/70/76/938807076.db2.gz JRSREYBVCNNGNR-UHFFFAOYSA-N 1 0 414.509 4.487 20 30 HIEDRO Cc1nc(-c2ccc([C@@H](C)[NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)cc2)cs1 ZINC000539252032 938826343 /nfs/dbraw/zinc/82/63/43/938826343.db2.gz GGPNKFZXGBTIHJ-OAHLLOKOSA-N 1 0 411.552 4.115 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccc(OCc2ccccn2)c1 ZINC000539252869 938826770 /nfs/dbraw/zinc/82/67/70/938826770.db2.gz POJGXVQNWWGGPE-HXUWFJFHSA-N 1 0 414.509 4.258 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1-n1cccn1 ZINC000539262409 938829112 /nfs/dbraw/zinc/82/91/12/938829112.db2.gz HJDCNFKSCVFZQL-INIZCTEOSA-N 1 0 419.554 4.364 20 30 HIEDRO COc1ccc(F)cc1[C@@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000539268211 938830469 /nfs/dbraw/zinc/83/04/69/938830469.db2.gz OHMSQPNNUYDRIY-CYBMUJFWSA-N 1 0 401.507 4.326 20 30 HIEDRO C=CCC[C@H]([NH2+]CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1)c1ccccc1 ZINC000539361352 938848369 /nfs/dbraw/zinc/84/83/69/938848369.db2.gz SDGFSIICHZOICM-DEOSSOPVSA-N 1 0 419.569 4.013 20 30 HIEDRO C=CC[N@H+](Cc1c[nH]nc1-c1c(F)cccc1F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000539832772 938951671 /nfs/dbraw/zinc/95/16/71/938951671.db2.gz ZBGKZDMISUGZFS-OAHLLOKOSA-N 1 0 421.455 4.080 20 30 HIEDRO C[C@H]([NH2+]Cc1cc(C#N)ccc1Br)C1CCN(CC(F)(F)F)CC1 ZINC000563608175 945224833 /nfs/dbraw/zinc/22/48/33/945224833.db2.gz TZCYQIIKJZHQSO-LBPRGKRZSA-N 1 0 404.274 4.073 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000540320590 939193238 /nfs/dbraw/zinc/19/32/38/939193238.db2.gz DUWIPAHPZDUVOV-CVEARBPZSA-N 1 0 417.456 4.283 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(OCC(F)(F)F)cc1 ZINC000540363944 939211252 /nfs/dbraw/zinc/21/12/52/939211252.db2.gz WAVHAXITOJRYLK-GFCCVEGCSA-N 1 0 411.811 4.442 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1cccc(-n2cccn2)c1 ZINC000540389533 939226895 /nfs/dbraw/zinc/22/68/95/939226895.db2.gz NDXQYPWAXZPNSK-QGZVFWFLSA-N 1 0 407.905 4.123 20 30 HIEDRO COCCSc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000540403486 939236042 /nfs/dbraw/zinc/23/60/42/939236042.db2.gz IEEKJMFIPMGPSE-AWEZNQCLSA-N 1 0 403.935 4.239 20 30 HIEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000540522212 939286632 /nfs/dbraw/zinc/28/66/32/939286632.db2.gz QIDIKNFHQGTSAN-XIKOKIGWSA-N 1 0 401.860 4.408 20 30 HIEDRO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000540595831 939314581 /nfs/dbraw/zinc/31/45/81/939314581.db2.gz FNXZWYVMIJKYJM-LVXARBLLSA-N 1 0 402.586 4.023 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(C#N)cc1 ZINC000540778776 939368947 /nfs/dbraw/zinc/36/89/47/939368947.db2.gz HUORLAWUQKJBPG-FOIQADDNSA-N 1 0 401.432 4.419 20 30 HIEDRO COC(=O)[C@H](C)Oc1ccc(C[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000540809628 939379749 /nfs/dbraw/zinc/37/97/49/939379749.db2.gz RAJMIDAKZJPNMQ-SFHVURJKSA-N 1 0 400.478 4.455 20 30 HIEDRO COc1ccc(COC[C@H](O)C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 ZINC000541086355 939455071 /nfs/dbraw/zinc/45/50/71/939455071.db2.gz VYLFUIAFHAQHNN-KBMIEXCESA-N 1 0 416.521 4.462 20 30 HIEDRO Cc1ccc([C@H](CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)[NH+](C)C)cc1 ZINC000541100571 939460249 /nfs/dbraw/zinc/46/02/49/939460249.db2.gz FZWVIVFLAOSAKF-FQEVSTJZSA-N 1 0 422.920 4.130 20 30 HIEDRO C[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541117056 939465588 /nfs/dbraw/zinc/46/55/88/939465588.db2.gz GEJUWCKGUZSSLR-SBUREZEXSA-N 1 0 408.571 4.023 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000541118616 939466358 /nfs/dbraw/zinc/46/63/58/939466358.db2.gz SZQGXFYXVFYXPC-XFLNKKNVSA-N 1 0 411.571 4.027 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000541118615 939466681 /nfs/dbraw/zinc/46/66/81/939466681.db2.gz SZQGXFYXVFYXPC-RMYSCLOFSA-N 1 0 411.571 4.027 20 30 HIEDRO C[N@H+](Cc1ccc(CC#N)cc1)Cc1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000541349593 939495133 /nfs/dbraw/zinc/49/51/33/939495133.db2.gz DMZSQMHIAUYCHW-UHFFFAOYSA-N 1 0 405.523 4.185 20 30 HIEDRO C[C@H](C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2)c1nccs1 ZINC000541379523 939501225 /nfs/dbraw/zinc/50/12/25/939501225.db2.gz RNQUUXXKHFPHSH-ZIAGYGMSSA-N 1 0 402.589 4.265 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)c1cccc(OC)c1 ZINC000541452159 939520341 /nfs/dbraw/zinc/52/03/41/939520341.db2.gz ZGXHCRKQBUVFTP-XMMPIXPASA-N 1 0 420.557 4.324 20 30 HIEDRO COCC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(C)o1 ZINC000541649321 939586523 /nfs/dbraw/zinc/58/65/23/939586523.db2.gz QROAELVNEQWOGA-QGZVFWFLSA-N 1 0 401.532 4.096 20 30 HIEDRO OC[C@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1ccc(Br)cc1 ZINC000541984887 939670541 /nfs/dbraw/zinc/67/05/41/939670541.db2.gz ZMDAZYMLYVDYNV-KRWDZBQOSA-N 1 0 414.221 4.022 20 30 HIEDRO C[S@](=O)Cc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1Cl ZINC000542186820 939749474 /nfs/dbraw/zinc/74/94/74/939749474.db2.gz RKENBERKXNFQPS-MHZLTWQESA-N 1 0 401.963 4.167 20 30 HIEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@H](c2cccnc2)C2CC2)c1C#N ZINC000542521718 939836877 /nfs/dbraw/zinc/83/68/77/939836877.db2.gz WVKVLUPHJFAZIU-QHCPKHFHSA-N 1 0 417.488 4.179 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000542553881 939842697 /nfs/dbraw/zinc/84/26/97/939842697.db2.gz PFFLVOPTHFBBBH-UHFFFAOYSA-N 1 0 409.839 4.434 20 30 HIEDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)[C@H]2C ZINC000542880765 939864881 /nfs/dbraw/zinc/86/48/81/939864881.db2.gz HBPIYJUXZPKZTE-CABCVRRESA-N 1 0 409.555 4.453 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2C[C@H](C)[C@@H]3CCCC[C@@H]32)c1C#N ZINC000542976482 939889901 /nfs/dbraw/zinc/88/99/01/939889901.db2.gz ZCRFRXLQXMNHGQ-BUKVSMQUSA-N 1 0 408.546 4.457 20 30 HIEDRO C[C@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543017156 939895861 /nfs/dbraw/zinc/89/58/61/939895861.db2.gz MRRBPUFYEAKYQT-IBGZPJMESA-N 1 0 420.557 4.038 20 30 HIEDRO N#Cc1ccc(C2=CC[N@H+](C[C@H](O)COc3ccccc3C(F)(F)F)CC2)cc1 ZINC000543197380 939992571 /nfs/dbraw/zinc/99/25/71/939992571.db2.gz JGOMCFNVTCOMBD-IBGZPJMESA-N 1 0 402.416 4.106 20 30 HIEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)Nc3cccc(C#N)c3)s2)cc1 ZINC000543503707 940088194 /nfs/dbraw/zinc/08/81/94/940088194.db2.gz XYESDTIPOLSALF-AWEZNQCLSA-N 1 0 406.511 4.288 20 30 HIEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000543517111 940093323 /nfs/dbraw/zinc/09/33/23/940093323.db2.gz MPHHQRKVCBNQRN-JXFKEZNVSA-N 1 0 407.539 4.389 20 30 HIEDRO C=CCc1cc(C[NH2+][C@H]2CCN(CC)[C@H]2c2cc(F)c(F)c(F)c2)cc(OC)c1O ZINC000543849014 940207690 /nfs/dbraw/zinc/20/76/90/940207690.db2.gz FPTWYSKMZOJODY-UGKGYDQZSA-N 1 0 420.475 4.472 20 30 HIEDRO CC[NH+](CC)Cc1ccc(CNC(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cc1 ZINC000543889030 940227478 /nfs/dbraw/zinc/22/74/78/940227478.db2.gz NPPYJPCKGKHADA-UHFFFAOYSA-N 1 0 420.492 4.047 20 30 HIEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000544125633 940332512 /nfs/dbraw/zinc/33/25/12/940332512.db2.gz NIVLEVWTTRNYFU-HFRGRHLUSA-N 1 0 405.542 4.234 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000544528196 940472453 /nfs/dbraw/zinc/47/24/53/940472453.db2.gz DSYPCVZEXNGTNZ-UHFFFAOYSA-N 1 0 422.573 4.097 20 30 HIEDRO CS[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@H]1[NH+]1CCCC1 ZINC000544686982 940502599 /nfs/dbraw/zinc/50/25/99/940502599.db2.gz NIDMJTBBOCBVEY-KNQAVFIVSA-N 1 0 423.607 4.361 20 30 HIEDRO COc1cc(C#N)ccc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000546001684 940672840 /nfs/dbraw/zinc/67/28/40/940672840.db2.gz GDVSWAOAMCSRKO-XMMPIXPASA-N 1 0 404.514 4.087 20 30 HIEDRO COc1cc(C#N)ccc1NC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000546005543 940673118 /nfs/dbraw/zinc/67/31/18/940673118.db2.gz PFUIUNXNYNLFLB-UHFFFAOYSA-N 1 0 404.514 4.087 20 30 HIEDRO COc1cc(C#N)ccc1NC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000547417217 941061417 /nfs/dbraw/zinc/06/14/17/941061417.db2.gz WJPXJILEAAPTKW-UHFFFAOYSA-N 1 0 400.482 4.070 20 30 HIEDRO N#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1Cl ZINC000547976676 941081744 /nfs/dbraw/zinc/08/17/44/941081744.db2.gz RAMZVBFKZRNBII-KRWDZBQOSA-N 1 0 407.823 4.235 20 30 HIEDRO N#Cc1ccc(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc1Cl ZINC000548305014 941094957 /nfs/dbraw/zinc/09/49/57/941094957.db2.gz TUWMWMRBBCBMFX-UHFFFAOYSA-N 1 0 418.324 4.138 20 30 HIEDRO C=CCn1c(CCCc2cccs2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000548848571 941126536 /nfs/dbraw/zinc/12/65/36/941126536.db2.gz XEKFCIVDYSZWCS-UHFFFAOYSA-N 1 0 401.624 4.258 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000548932108 941130529 /nfs/dbraw/zinc/13/05/29/941130529.db2.gz QTXCSJUOTSTZDO-OCDQVXHZSA-N 1 0 424.548 4.143 20 30 HIEDRO CCN1CC[C@@H]([NH2+]CCC(=O)Nc2sccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549116604 941161674 /nfs/dbraw/zinc/16/16/74/941161674.db2.gz GINISGMXXFHPEA-MJGOQNOKSA-N 1 0 420.941 4.166 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000549176726 941168695 /nfs/dbraw/zinc/16/86/95/941168695.db2.gz JEWYDXGDDHVKOA-QFIPXVFZSA-N 1 0 420.557 4.025 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549291859 941177472 /nfs/dbraw/zinc/17/74/72/941177472.db2.gz KFKXQBRVEOTVBB-SFHVURJKSA-N 1 0 415.969 4.248 20 30 HIEDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1C#N)C1CCN(CC(F)(F)F)CC1 ZINC000549628823 941202038 /nfs/dbraw/zinc/20/20/38/941202038.db2.gz CLMCYHPIRKTMFJ-GFCCVEGCSA-N 1 0 404.274 4.073 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000549639177 941202429 /nfs/dbraw/zinc/20/24/29/941202429.db2.gz HDZVTTNPFCZGGP-VJBWXMMDSA-N 1 0 421.589 4.164 20 30 HIEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000549655242 941203110 /nfs/dbraw/zinc/20/31/10/941203110.db2.gz QCXMNEUIGUJSFB-HXUWFJFHSA-N 1 0 416.573 4.382 20 30 HIEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000549688490 941204563 /nfs/dbraw/zinc/20/45/63/941204563.db2.gz PBVBDIHXCLRLNL-FQEVSTJZSA-N 1 0 418.589 4.239 20 30 HIEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000549690651 941204697 /nfs/dbraw/zinc/20/46/97/941204697.db2.gz IFBCUOQHXBKOKA-NHCUHLMSSA-N 1 0 408.594 4.315 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000549698094 941204916 /nfs/dbraw/zinc/20/49/16/941204916.db2.gz ASGPPERSLBTEEN-MOPGFXCFSA-N 1 0 415.557 4.301 20 30 HIEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000549734722 941206012 /nfs/dbraw/zinc/20/60/12/941206012.db2.gz POLKVMYPESKPQH-NRFANRHFSA-N 1 0 413.635 4.455 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000549884813 941226553 /nfs/dbraw/zinc/22/65/53/941226553.db2.gz UOUNOBFGHLIVLG-GOSISDBHSA-N 1 0 416.562 4.172 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000549902708 941234415 /nfs/dbraw/zinc/23/44/15/941234415.db2.gz XCOSVDFGMPZGBH-KBPBESRZSA-N 1 0 411.868 4.214 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)c1C ZINC000550288225 941309839 /nfs/dbraw/zinc/30/98/39/941309839.db2.gz NPXTXPOUKRDOLM-IBGZPJMESA-N 1 0 419.504 4.226 20 30 HIEDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC#Cc2ccc(OC(F)(F)F)cc2)cc1 ZINC000551411034 941472299 /nfs/dbraw/zinc/47/22/99/941472299.db2.gz MCPHZHWVABLAAJ-OAHLLOKOSA-N 1 0 411.445 4.081 20 30 HIEDRO N#Cc1ccc(Cl)c(C(=O)Nc2ccnn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000552114581 941587994 /nfs/dbraw/zinc/58/79/94/941587994.db2.gz QTQDLEPDSZYFSF-GOSISDBHSA-N 1 0 405.889 4.107 20 30 HIEDRO CC[C@@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000552276724 941621114 /nfs/dbraw/zinc/62/11/14/941621114.db2.gz HWJMLUOMLGLCFV-UXHICEINSA-N 1 0 417.431 4.299 20 30 HIEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000552290068 941623428 /nfs/dbraw/zinc/62/34/28/941623428.db2.gz WXSQJTHMVOBVSQ-UHFFFAOYSA-N 1 0 406.599 4.496 20 30 HIEDRO N#Cc1cc(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cnc1C(F)(F)F ZINC000552507726 941691148 /nfs/dbraw/zinc/69/11/48/941691148.db2.gz GYNHROGYXOYEPY-QGZVFWFLSA-N 1 0 416.447 4.004 20 30 HIEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000552753158 941752894 /nfs/dbraw/zinc/75/28/94/941752894.db2.gz SWGAJRBXRGPISO-UHFFFAOYSA-N 1 0 417.509 4.324 20 30 HIEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553208043 941849351 /nfs/dbraw/zinc/84/93/51/941849351.db2.gz MZUIFDIZVZJQAQ-QZTJIDSGSA-N 1 0 416.997 4.055 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1cccc(N2CCCC2)c1 ZINC000553409209 941880513 /nfs/dbraw/zinc/88/05/13/941880513.db2.gz OUNHCTLEDKAZTG-CVEARBPZSA-N 1 0 408.571 4.386 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@H](C)c2ccc(-c3ccccc3)cc2)CC1 ZINC000553672312 941941680 /nfs/dbraw/zinc/94/16/80/941941680.db2.gz PZEBEGJNEHUEIG-HXUWFJFHSA-N 1 0 419.569 4.030 20 30 HIEDRO C[C@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC[N@@H+](C2CCC2)C1 ZINC000553863281 941986064 /nfs/dbraw/zinc/98/60/64/941986064.db2.gz UEXDYQAOXMUWJC-LJQANCHMSA-N 1 0 403.526 4.491 20 30 HIEDRO CC[N@@H+](Cc1ccc(Br)cc1C#N)CC1CCN(c2ccccn2)CC1 ZINC000553883350 941989841 /nfs/dbraw/zinc/98/98/41/941989841.db2.gz CFLMSQDLCNCMHW-UHFFFAOYSA-N 1 0 413.363 4.454 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000554177692 942058875 /nfs/dbraw/zinc/05/88/75/942058875.db2.gz VXQBJPNERXPHFN-XXBNENTESA-N 1 0 420.557 4.314 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000554294565 942094026 /nfs/dbraw/zinc/09/40/26/942094026.db2.gz MCHOXVWDXGNMQL-DLBZAZTESA-N 1 0 402.560 4.328 20 30 HIEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1cccc(C#Cc2ccccn2)c1)c1ccco1 ZINC000554445342 942145826 /nfs/dbraw/zinc/14/58/26/942145826.db2.gz IKYWDEKNYKUHMV-XMSQKQJNSA-N 1 0 402.498 4.325 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2COc3ccccc32)cc1OC ZINC000554729720 942213554 /nfs/dbraw/zinc/21/35/54/942213554.db2.gz PINFAGHNBCYFJV-HNNXBMFYSA-N 1 0 404.304 4.288 20 30 HIEDRO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3cccc(OCc4ccccc4C#N)c3)n1)OC2 ZINC000554840679 942277652 /nfs/dbraw/zinc/27/76/52/942277652.db2.gz ZROAFGHNZGFKOB-ZJSXRUAMSA-N 1 0 416.481 4.113 20 30 HIEDRO COc1ccc(C[N@H+](CCC(=O)Nc2sccc2C#N)[C@@H](C)C2CC2)c(OC)c1 ZINC000554852299 942289363 /nfs/dbraw/zinc/28/93/63/942289363.db2.gz COQYZSVGSYRVDJ-HNNXBMFYSA-N 1 0 413.543 4.266 20 30 HIEDRO C=CCn1c(COCc2ccccc2)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000554921182 942320341 /nfs/dbraw/zinc/32/03/41/942320341.db2.gz LACNCGLBZBRHNL-UHFFFAOYSA-N 1 0 423.605 4.273 20 30 HIEDRO C=CCn1c(-c2ccccn2)nnc1N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000554930592 942323515 /nfs/dbraw/zinc/32/35/15/942323515.db2.gz MXKUYWXGZPZWGD-PZJWPPBQSA-N 1 0 402.546 4.188 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccs1 ZINC000555008306 942353859 /nfs/dbraw/zinc/35/38/59/942353859.db2.gz ZIXPOXZSYJUTFI-LJQANCHMSA-N 1 0 407.499 4.231 20 30 HIEDRO C[C@@H]1C[NH+](CCC2CCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000555093441 942383624 /nfs/dbraw/zinc/38/36/24/942383624.db2.gz BXFPBRFGSQJESZ-IAGOWNOFSA-N 1 0 409.496 4.288 20 30 HIEDRO C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000555221054 942435246 /nfs/dbraw/zinc/43/52/46/942435246.db2.gz MCUURWYZZHUMKA-UHFFFAOYSA-N 1 0 418.383 4.251 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000555241347 942442476 /nfs/dbraw/zinc/44/24/76/942442476.db2.gz YAYRXIOSLKETTL-NRFANRHFSA-N 1 0 409.578 4.115 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000555572414 942649097 /nfs/dbraw/zinc/64/90/97/942649097.db2.gz ORRVSYSDPAREOK-SFHVURJKSA-N 1 0 416.562 4.172 20 30 HIEDRO Cc1cc(C#N)cnc1C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000555577157 942650039 /nfs/dbraw/zinc/65/00/39/942650039.db2.gz PDODNQYDEMLQJD-UHFFFAOYSA-N 1 0 416.447 4.017 20 30 HIEDRO Cc1oc(NC(=O)C[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)c(C#N)c1C ZINC000556066501 942800824 /nfs/dbraw/zinc/80/08/24/942800824.db2.gz NQDVEKYCDFVBCU-UHFFFAOYSA-N 1 0 421.419 4.021 20 30 HIEDRO Cc1cc(C#N)cnc1C(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000556706484 942930124 /nfs/dbraw/zinc/93/01/24/942930124.db2.gz FDBJQSHEGXKSDY-QFIPXVFZSA-N 1 0 406.530 4.294 20 30 HIEDRO CC(C)(CCC#N)C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1F ZINC000558248577 943459437 /nfs/dbraw/zinc/45/94/37/943459437.db2.gz XHRZNWRPOHVNCR-HXUWFJFHSA-N 1 0 406.498 4.377 20 30 HIEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000558286263 943483773 /nfs/dbraw/zinc/48/37/73/943483773.db2.gz GKFUWDVVHDSERQ-CYFREDJKSA-N 1 0 418.541 4.422 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000559312021 943894278 /nfs/dbraw/zinc/89/42/78/943894278.db2.gz NEPFJCKTESYVOK-IAGOWNOFSA-N 1 0 423.467 4.136 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC=C(c3ccccn3)C1)CCCCC2 ZINC000559637294 944021228 /nfs/dbraw/zinc/02/12/28/944021228.db2.gz UNMDGAQGBNFMDE-UHFFFAOYSA-N 1 0 406.555 4.402 20 30 HIEDRO CC(C)(C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)c1cc(F)cc(C#N)c1 ZINC000560607814 944272648 /nfs/dbraw/zinc/27/26/48/944272648.db2.gz IZZSTORVQXENEM-UHFFFAOYSA-N 1 0 409.505 4.478 20 30 HIEDRO Cc1oc(C#N)cc1C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000561074680 944430662 /nfs/dbraw/zinc/43/06/62/944430662.db2.gz CYUNBBKJFYCRDS-JOCHJYFZSA-N 1 0 414.509 4.162 20 30 HIEDRO N#Cc1c(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nc2cc(Cl)ccn12 ZINC000561258956 944531633 /nfs/dbraw/zinc/53/16/33/944531633.db2.gz KNZRTSILUPVOST-UHFFFAOYSA-N 1 0 405.933 4.352 20 30 HIEDRO CC[NH+](CC)CCOC1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 ZINC000561262528 944532802 /nfs/dbraw/zinc/53/28/02/944532802.db2.gz SBJBXWLWRKWZNK-UHFFFAOYSA-N 1 0 414.775 4.301 20 30 HIEDRO COc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)c(C)c1OC ZINC000561930194 944862755 /nfs/dbraw/zinc/86/27/55/944862755.db2.gz BEIUBWOYRJFKLP-IBGZPJMESA-N 1 0 409.530 4.227 20 30 HIEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000562030993 944903990 /nfs/dbraw/zinc/90/39/90/944903990.db2.gz CHHUVWKTWFNBKF-UHFFFAOYSA-N 1 0 424.552 4.392 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(OCc2ccccc2C#N)c1)Cc1ccccn1 ZINC000565978175 945953723 /nfs/dbraw/zinc/95/37/23/945953723.db2.gz QBHSEMDRPPYXLN-UHFFFAOYSA-N 1 0 400.526 4.096 20 30 HIEDRO COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)CC3 ZINC000569145810 946822643 /nfs/dbraw/zinc/82/26/43/946822643.db2.gz ZJKKGCGSHUWDIA-XBMUEBEBSA-N 1 0 416.525 4.280 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000569860321 947023121 /nfs/dbraw/zinc/02/31/21/947023121.db2.gz VAKXWMOOZUELQQ-FOIQADDNSA-N 1 0 417.600 4.430 20 30 HIEDRO CC[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccccc1OCC(=O)N(C)C ZINC000570704475 947331163 /nfs/dbraw/zinc/33/11/63/947331163.db2.gz DHQDVDQORXHVSA-LJQANCHMSA-N 1 0 419.447 4.285 20 30 HIEDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000570865276 947375286 /nfs/dbraw/zinc/37/52/86/947375286.db2.gz YJQUCENUFFWTHH-OAHLLOKOSA-N 1 0 421.385 4.200 20 30 HIEDRO Cc1cc(NC(=O)C[NH2+]Cc2cccc(OCCCC#N)c2)ccc1Br ZINC000571233731 947558381 /nfs/dbraw/zinc/55/83/81/947558381.db2.gz CAKOQQZJQGUNKY-UHFFFAOYSA-N 1 0 416.319 4.168 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1 ZINC000571453854 947655003 /nfs/dbraw/zinc/65/50/03/947655003.db2.gz IIGDZXXNPDBSAQ-JOCHJYFZSA-N 1 0 401.470 4.170 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCN(c4ccccc4)CC3)sc2C1 ZINC000573026347 948062499 /nfs/dbraw/zinc/06/24/99/948062499.db2.gz BUZCVEZSUZYYQS-SFHVURJKSA-N 1 0 422.598 4.285 20 30 HIEDRO N#Cc1ccc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1F ZINC000573848688 948310491 /nfs/dbraw/zinc/31/04/91/948310491.db2.gz XVHORKGWJJVOEO-QGZVFWFLSA-N 1 0 406.383 4.112 20 30 HIEDRO CC(C)N1CC[C@@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574221828 948389533 /nfs/dbraw/zinc/38/95/33/948389533.db2.gz PPQMIIOLDVRZAX-IRLDBZIGSA-N 1 0 414.912 4.103 20 30 HIEDRO Cc1cc(N2CC[C@H]([NH2+][C@@H]3CCc4ccc(C#N)cc43)C2=O)ccc1Br ZINC000574442171 948443863 /nfs/dbraw/zinc/44/38/63/948443863.db2.gz IYJSPRXYWCEGNR-UXHICEINSA-N 1 0 410.315 4.012 20 30 HIEDRO N#CC1(CNCc2cn(Cc3ccccc3)nc2-c2ccc3c(c2)OCCCO3)CC1 ZINC000574505234 948461092 /nfs/dbraw/zinc/46/10/92/948461092.db2.gz FIEXYXCYCJYVJB-UHFFFAOYSA-N 1 0 414.509 4.153 20 30 HIEDRO COc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1OCCCC#N ZINC000575132011 948601298 /nfs/dbraw/zinc/60/12/98/948601298.db2.gz AXZYXZLEJPPYJO-UHFFFAOYSA-N 1 0 423.488 4.432 20 30 HIEDRO Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000328606920 569418768 /nfs/dbraw/zinc/41/87/68/569418768.db2.gz TYPXNLORIHCVEX-RGZWJVDOSA-N 1 0 417.513 4.470 20 30 HIEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164629902 719080594 /nfs/dbraw/zinc/08/05/94/719080594.db2.gz ZVNQEGFZFGKJBN-MSOLQXFVSA-N 1 0 402.876 4.252 20 30 HIEDRO N#Cc1cc(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc2ccc([N+](=O)[O-])cc12 ZINC001164629040 719110429 /nfs/dbraw/zinc/11/04/29/719110429.db2.gz QNTMSCBKEVRFLX-WZONZLPQSA-N 1 0 413.481 4.115 20 30 HIEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(Cl)c(F)cc1C#N)CC2 ZINC001164844250 720659419 /nfs/dbraw/zinc/65/94/19/720659419.db2.gz ZJZBJKLVGKXBRN-GOSISDBHSA-N 1 0 414.912 4.006 20 30 HIEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc(C#N)c3cc(Cl)ccc3n1)[C@H]2C ZINC001164862935 721017254 /nfs/dbraw/zinc/01/72/54/721017254.db2.gz RWSNRMQNUXFVQE-HNNXBMFYSA-N 1 0 408.937 4.378 20 30 HIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)c(Cl)cc3C#N)C[C@@H]21 ZINC001165022754 721812337 /nfs/dbraw/zinc/81/23/37/721812337.db2.gz HBPODZFIINVTID-UCLAIMLFSA-N 1 0 416.356 4.392 20 30 HIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(C#N)c(Cl)cc3Cl)C[C@H]21 ZINC001165020609 721829428 /nfs/dbraw/zinc/82/94/28/721829428.db2.gz CTQHISDORWMBTO-AKCHCHLHSA-N 1 0 416.356 4.392 20 30 HIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)cc(Cl)c3C#N)C[C@H]21 ZINC001165028953 721830244 /nfs/dbraw/zinc/83/02/44/721830244.db2.gz WAIBVYBOIRTFAW-LSBZLQRGSA-N 1 0 416.356 4.392 20 30 HIEDRO C[NH+](C)CCN(C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1CCCC1 ZINC000436007354 861295472 /nfs/dbraw/zinc/29/54/72/861295472.db2.gz XKBFUWJQQIOJKJ-UHFFFAOYSA-N 1 0 419.529 4.149 20 30 HIEDRO Cc1ccc(NC(=S)C(C(=O)c2ccc(Cl)cc2)[n+]2cccc(CO)c2)cc1 ZINC000007611381 845372835 /nfs/dbraw/zinc/37/28/35/845372835.db2.gz JTXOFHUTIKIFKH-UHFFFAOYSA-O 1 0 411.934 4.479 20 30 HIEDRO COc1ccccc1NC(=S)C(C(=O)c1cc(C)n(C)c1C)[n+]1cccc(C)c1 ZINC000010118247 845620870 /nfs/dbraw/zinc/62/08/70/845620870.db2.gz MTZPPDATXBAWOY-UHFFFAOYSA-O 1 0 408.547 4.297 20 30 HIEDRO Cc1cccc(NC(=S)C(C(=O)c2cc(C)ccc2C)[n+]2cccc(CO)c2)c1 ZINC000010167374 845626011 /nfs/dbraw/zinc/62/60/11/845626011.db2.gz ZPMYUOAIJGAPQI-UHFFFAOYSA-O 1 0 405.543 4.443 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000436309479 861614456 /nfs/dbraw/zinc/61/44/56/861614456.db2.gz SIEILYDSGKORBB-BWAGFHJFSA-N 1 0 419.974 4.404 20 30 HIEDRO Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406126 846439076 /nfs/dbraw/zinc/43/90/76/846439076.db2.gz DLJZQAZKNBNCFR-SFHVURJKSA-N 1 0 410.949 4.055 20 30 HIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000436362667 861695384 /nfs/dbraw/zinc/69/53/84/861695384.db2.gz IREIGHDTNNRSEY-XZOQPEGZSA-N 1 0 405.567 4.147 20 30 HIEDRO CCCc1cc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NC[C@H]2CCCO2)cc1 ZINC000022691955 846604898 /nfs/dbraw/zinc/60/48/98/846604898.db2.gz RLRNZKIHELXKBY-JOCHJYFZSA-O 1 0 423.602 4.123 20 30 HIEDRO CCOc1ccc(C(=O)C(C(=S)Nc2ccc(C)cc2)[n+]2cccc(CO)c2)cc1 ZINC000022730917 846610488 /nfs/dbraw/zinc/61/04/88/846610488.db2.gz TUQIHZMHMAHUDP-UHFFFAOYSA-O 1 0 421.542 4.224 20 30 HIEDRO CCOc1ccc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2cccc(C)c2)cc1 ZINC000022735813 846612767 /nfs/dbraw/zinc/61/27/67/846612767.db2.gz BGALMAZVNDRXPU-UHFFFAOYSA-O 1 0 419.570 4.452 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2ccc(Cl)cc2Cl)C(=S)NCCOC)cc1 ZINC000022791639 846620779 /nfs/dbraw/zinc/62/07/79/846620779.db2.gz ZOPDBZNCWBYTFS-UHFFFAOYSA-O 1 0 412.362 4.018 20 30 HIEDRO COCCNC(=S)C(C(=O)c1ccc(C(C)C)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000022794020 846621963 /nfs/dbraw/zinc/62/19/63/846621963.db2.gz LDCCLUYVFXCDKU-UHFFFAOYSA-O 1 0 411.591 4.151 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc(CCC)cc1 ZINC000022796192 846621991 /nfs/dbraw/zinc/62/19/91/846621991.db2.gz KXSOHYRSPLQHJJ-UHFFFAOYSA-O 1 0 412.579 4.179 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H](c2ccco2)N(C)C)cc1OC ZINC000025355239 846966447 /nfs/dbraw/zinc/96/64/47/846966447.db2.gz QDTKIQUAVWVWEH-MRXNPFEDSA-N 1 0 409.324 4.008 20 30 HIEDRO CCC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1ccccc1 ZINC000025789276 847037113 /nfs/dbraw/zinc/03/71/13/847037113.db2.gz NTOHGEYRWZWJSC-UHFFFAOYSA-N 1 0 404.514 4.469 20 30 HIEDRO COc1cc(CCC2CC[NH+](CCC(=O)Nc3ccccc3C#N)CC2)cc(OC)c1 ZINC000025933750 847059128 /nfs/dbraw/zinc/05/91/28/847059128.db2.gz RMAIVLKKAIPMEP-UHFFFAOYSA-N 1 0 421.541 4.249 20 30 HIEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000027208174 847265962 /nfs/dbraw/zinc/26/59/62/847265962.db2.gz WAGQHQYDRKFRJD-DEOSSOPVSA-N 1 0 422.475 4.435 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1cccc(F)c1 ZINC000032483711 848037741 /nfs/dbraw/zinc/03/77/41/848037741.db2.gz KSNWPVVWWWNNOO-XMMPIXPASA-N 1 0 417.484 4.309 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000044566156 848570062 /nfs/dbraw/zinc/57/00/62/848570062.db2.gz FNVVIBYZTJKOFN-UHFFFAOYSA-N 1 0 408.889 4.071 20 30 HIEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000046129840 848787323 /nfs/dbraw/zinc/78/73/23/848787323.db2.gz XXEZEKWVNOSNLI-BGYRXZFFSA-N 1 0 404.558 4.378 20 30 HIEDRO N#Cc1ccc(CSCC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000046904124 848955881 /nfs/dbraw/zinc/95/58/81/848955881.db2.gz RXHLVUPEGLZWOS-UHFFFAOYSA-N 1 0 413.974 4.226 20 30 HIEDRO CC(C)COc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000047695468 849091815 /nfs/dbraw/zinc/09/18/15/849091815.db2.gz JCGCHMKBBPNXIU-UHFFFAOYSA-N 1 0 406.530 4.333 20 30 HIEDRO N#CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)cc1 ZINC000051449783 849471497 /nfs/dbraw/zinc/47/14/97/849471497.db2.gz HILKXIDYYLGKFC-PZJWPPBQSA-N 1 0 415.331 4.092 20 30 HIEDRO O=C(Nc1nnc(-c2ccsc2)s1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052496167 849589343 /nfs/dbraw/zinc/58/93/43/849589343.db2.gz ADBWBTHEYSUTTA-UHFFFAOYSA-N 1 0 405.593 4.400 20 30 HIEDRO CCCc1cc[n+](C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)C(=S)NC(C)C)cc1 ZINC000055009666 849955241 /nfs/dbraw/zinc/95/52/41/849955241.db2.gz FPYABZLPBYAPBH-UHFFFAOYSA-O 1 0 400.568 4.011 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH+]2CCC(c3ccc(O)cc3)CC2)sc2c1CCCC2 ZINC000055102822 849970579 /nfs/dbraw/zinc/97/05/79/849970579.db2.gz LFTUJKACEUUDFM-UHFFFAOYSA-N 1 0 409.555 4.412 20 30 HIEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207123 850284120 /nfs/dbraw/zinc/28/41/20/850284120.db2.gz LCXQNXHTLQXUPJ-MSOLQXFVSA-N 1 0 409.505 4.318 20 30 HIEDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000058525428 850846258 /nfs/dbraw/zinc/84/62/58/850846258.db2.gz KBYOJSROPNBOPG-QFIPXVFZSA-N 1 0 405.542 4.266 20 30 HIEDRO CC[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469493 851109207 /nfs/dbraw/zinc/10/92/07/851109207.db2.gz CCXFXQCJIZSBCO-CQSZACIVSA-N 1 0 420.376 4.424 20 30 HIEDRO CC[NH+](CC)CCN(C(=O)c1cccc(C#N)c1)c1cccc(Br)c1 ZINC000060548205 851142483 /nfs/dbraw/zinc/14/24/83/851142483.db2.gz OJNUEEGIMPMOAY-UHFFFAOYSA-N 1 0 400.320 4.309 20 30 HIEDRO C=CCOc1c(Br)cc(CNC[C@@H]2CC[N@@H+](C(C)C)C2)cc1OCC ZINC000062427230 851550937 /nfs/dbraw/zinc/55/09/37/851550937.db2.gz MBIZWMCMGLKLAG-INIZCTEOSA-N 1 0 411.384 4.233 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000063401651 851679164 /nfs/dbraw/zinc/67/91/64/851679164.db2.gz PGHYMRPTQOUOIM-UHFFFAOYSA-N 1 0 408.502 4.088 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000063401873 851679445 /nfs/dbraw/zinc/67/94/45/851679445.db2.gz WWXOGOLGUNUDSP-QFIPXVFZSA-N 1 0 422.529 4.129 20 30 HIEDRO O=C(c1ccc([N+](=O)[O-])cc1)C(C(=S)Nc1ccc2c(c1)CCC2)[n+]1ccccc1 ZINC000063440956 851689979 /nfs/dbraw/zinc/68/99/79/851689979.db2.gz QGDCDEMWIQSZEE-UHFFFAOYSA-O 1 0 418.498 4.422 20 30 HIEDRO CCc1c(C(=O)C(C(=S)NC)[n+]2ccc(C(CC)CC)cc2)[nH]c(C)c1C(C)=O ZINC000063440483 851690121 /nfs/dbraw/zinc/69/01/21/851690121.db2.gz GWUWUGUPKYIYPQ-UHFFFAOYSA-O 1 0 414.595 4.437 20 30 HIEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000437112036 862299169 /nfs/dbraw/zinc/29/91/69/862299169.db2.gz SOOGFHCLADJTPQ-IDMYKUQPSA-N 1 0 419.529 4.278 20 30 HIEDRO COc1ccc(C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)cc1OCCCC#N ZINC000064614385 851940864 /nfs/dbraw/zinc/94/08/64/851940864.db2.gz XEMCAHYFTKXZLZ-SFHVURJKSA-N 1 0 407.514 4.355 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccc(N2CCSCC2)cc1C)C(C)C ZINC000065378212 852118124 /nfs/dbraw/zinc/11/81/24/852118124.db2.gz JNCSDMHPHUJDBH-QFIPXVFZSA-N 1 0 416.635 4.368 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)Cc1ccccc1 ZINC000065620002 852202136 /nfs/dbraw/zinc/20/21/36/852202136.db2.gz FXJCAGCZWDJFFB-DEOSSOPVSA-N 1 0 413.521 4.040 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000437178799 862372176 /nfs/dbraw/zinc/37/21/76/862372176.db2.gz BBYMTLRBWCXREI-UHFFFAOYSA-N 1 0 409.839 4.434 20 30 HIEDRO N#Cc1c(Cl)nsc1N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000097473509 852614839 /nfs/dbraw/zinc/61/48/39/852614839.db2.gz ATXKCDXPOVKATA-UHFFFAOYSA-N 1 0 400.857 4.399 20 30 HIEDRO CC(C)c1ccccc1NC(=O)[C@@H](C)ON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000097571465 852633188 /nfs/dbraw/zinc/63/31/88/852633188.db2.gz BNCRKNBWMUIEQO-LJQANCHMSA-N 1 0 422.573 4.460 20 30 HIEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000109485752 852976066 /nfs/dbraw/zinc/97/60/66/852976066.db2.gz ZZTVEQIHQMTONK-HSZRJFAPSA-N 1 0 423.582 4.192 20 30 HIEDRO Cc1oc(-c2ccccc2)nc1CON=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000110178910 853070256 /nfs/dbraw/zinc/07/02/56/853070256.db2.gz HNWCZOZBNNLKIS-UHFFFAOYSA-N 1 0 404.514 4.473 20 30 HIEDRO CCC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000110989306 853181265 /nfs/dbraw/zinc/18/12/65/853181265.db2.gz MHSKKLFJUYCCOC-INIZCTEOSA-N 1 0 412.921 4.279 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](Nc4ccccc4)C3)sc2C1 ZINC000110991522 853182473 /nfs/dbraw/zinc/18/24/73/853182473.db2.gz WYZMUTDOIMMSMG-WMZOPIPTSA-N 1 0 408.571 4.260 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1C ZINC000139959143 853427771 /nfs/dbraw/zinc/42/77/71/853427771.db2.gz WVRFUWGCJRRJRP-UHFFFAOYSA-N 1 0 419.573 4.029 20 30 HIEDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000140274956 853439954 /nfs/dbraw/zinc/43/99/54/853439954.db2.gz OSODCMNJEYWLCE-OAHLLOKOSA-N 1 0 415.896 4.016 20 30 HIEDRO COc1ccc2[nH]cc(C3CC[NH+](CCC(=O)Nc4cccc(C#N)c4)CC3)c2c1 ZINC000142105136 853488237 /nfs/dbraw/zinc/48/82/37/853488237.db2.gz NNJRFGCVTGUHFE-UHFFFAOYSA-N 1 0 402.498 4.256 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)C ZINC000165720294 853652736 /nfs/dbraw/zinc/65/27/36/853652736.db2.gz HYQKMICEVXJVDJ-JOCHJYFZSA-N 1 0 410.562 4.329 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C#N)cc1)C(=S)NCc1ccccc1 ZINC000185575173 853668367 /nfs/dbraw/zinc/66/83/67/853668367.db2.gz NGPMRRSCJOPYSV-UHFFFAOYSA-O 1 0 400.527 4.137 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)N[C@H]2CCCC[C@@H]2C)cc1 ZINC000186963225 853669056 /nfs/dbraw/zinc/66/90/56/853669056.db2.gz SONXDKTUJIJEGN-KSSFIOAISA-O 1 0 400.568 4.248 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)C(=S)N[C@H](C)CC ZINC000194973061 853669069 /nfs/dbraw/zinc/66/90/69/853669069.db2.gz RYIDFUPTRLIWRZ-CYBMUJFWSA-O 1 0 400.568 4.011 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1ccc([N+](=O)[O-])cc1)C(=S)NC(C)(C)CC ZINC000186979804 853669323 /nfs/dbraw/zinc/66/93/23/853669323.db2.gz GYDOIWOZZVUBOW-UHFFFAOYSA-O 1 0 400.524 4.162 20 30 HIEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000195604903 853708629 /nfs/dbraw/zinc/70/86/29/853708629.db2.gz CSZGBSZCHXFXQD-NRFANRHFSA-N 1 0 415.459 4.021 20 30 HIEDRO COc1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(SC)cc1OC ZINC000237426509 854030612 /nfs/dbraw/zinc/03/06/12/854030612.db2.gz ARYGBTATOKRYHE-KRWDZBQOSA-N 1 0 415.534 4.195 20 30 HIEDRO N#CCCn1cc(C[NH2+]CC2(c3ccc(F)cc3)CCOCC2)c(-c2ccccc2)n1 ZINC000237826567 854104543 /nfs/dbraw/zinc/10/45/43/854104543.db2.gz DCKZLRFXJCPIHS-UHFFFAOYSA-N 1 0 418.516 4.441 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cccc(OCc4cccc(C#N)c4)c3)CC2)nc1 ZINC000237851507 854107341 /nfs/dbraw/zinc/10/73/41/854107341.db2.gz HMFPJQPOVUGMJM-UHFFFAOYSA-N 1 0 423.520 4.163 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCCc3nnc4n3CCCCC4)c2)c1 ZINC000237853663 854108537 /nfs/dbraw/zinc/10/85/37/854108537.db2.gz PZGNLZXEPMMGLB-UHFFFAOYSA-N 1 0 415.541 4.178 20 30 HIEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000250095958 854192902 /nfs/dbraw/zinc/19/29/02/854192902.db2.gz XVKWVRBKRNHGLN-VQIMIIECSA-N 1 0 417.962 4.058 20 30 HIEDRO N#Cc1ccc(CN2CCCN(C(=O)CSCc3ccc(Cl)cc3)CC2)cc1 ZINC000302896921 854669806 /nfs/dbraw/zinc/66/98/06/854669806.db2.gz JIUIJOKNGDJKDH-UHFFFAOYSA-N 1 0 413.974 4.179 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Oc3cccc(Br)c3)nc2)CC1 ZINC000303276104 854846869 /nfs/dbraw/zinc/84/68/69/854846869.db2.gz KZABXQQGZUXSIX-UHFFFAOYSA-N 1 0 416.319 4.017 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccccc2CN2CCc3ccccc32)CC1 ZINC000303290529 854855145 /nfs/dbraw/zinc/85/51/45/854855145.db2.gz GXASYADGSUYCHY-UHFFFAOYSA-N 1 0 404.558 4.411 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(Oc3ccccc3OCC)nc2)CC1 ZINC000303347638 854885675 /nfs/dbraw/zinc/88/56/75/854885675.db2.gz QHHDIOUMXZXDND-UHFFFAOYSA-N 1 0 424.545 4.112 20 30 HIEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000303361153 854891864 /nfs/dbraw/zinc/89/18/64/854891864.db2.gz JCBPYVYTSYROAN-QGZVFWFLSA-N 1 0 419.504 4.217 20 30 HIEDRO N#CCc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000303515685 855003565 /nfs/dbraw/zinc/00/35/65/855003565.db2.gz CDMBVQFZSIVJIN-IBGZPJMESA-N 1 0 402.420 4.167 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000303516529 855004315 /nfs/dbraw/zinc/00/43/15/855004315.db2.gz YADVBQFGZZOQDE-WOJBJXKFSA-N 1 0 422.598 4.083 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000303533821 855019726 /nfs/dbraw/zinc/01/97/26/855019726.db2.gz FGDSRRARSVGSLL-NHCUHLMSSA-N 1 0 406.574 4.324 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000303584651 855057414 /nfs/dbraw/zinc/05/74/14/855057414.db2.gz QBERVQJLEWUWEW-XMSQKQJNSA-N 1 0 423.582 4.249 20 30 HIEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303619479 855081621 /nfs/dbraw/zinc/08/16/21/855081621.db2.gz PJIPKCUQGOTKEZ-FGTMMUONSA-N 1 0 402.970 4.125 20 30 HIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000303661358 855114244 /nfs/dbraw/zinc/11/42/44/855114244.db2.gz VSGZFFIQWVFZHB-VJBWXMMDSA-N 1 0 410.606 4.217 20 30 HIEDRO C[NH+](C)Cc1cc(CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)ccc1F ZINC000303716246 855147853 /nfs/dbraw/zinc/14/78/53/855147853.db2.gz QQTMSCZBHBMWBN-UHFFFAOYSA-N 1 0 417.484 4.268 20 30 HIEDRO C[C@H]1C[C@@H](N(C)C(=O)CSCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303738163 855163037 /nfs/dbraw/zinc/16/30/37/855163037.db2.gz HJFBNTITYCSOSB-CVDCTZTESA-N 1 0 407.583 4.303 20 30 HIEDRO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2cc(Cl)ccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000303745551 855168106 /nfs/dbraw/zinc/16/81/06/855168106.db2.gz JVOSOXWYVIGLLQ-UTKZUKDTSA-N 1 0 410.949 4.135 20 30 HIEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000303757565 855177679 /nfs/dbraw/zinc/17/76/79/855177679.db2.gz DIBBITXQIZQRAC-LJQANCHMSA-N 1 0 422.447 4.312 20 30 HIEDRO COc1cc(OC)c(OC)cc1CNC(=[NH2+])N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000303790687 855200252 /nfs/dbraw/zinc/20/02/52/855200252.db2.gz WRMZQASGCIUQEF-NSHDSACASA-N 1 0 412.317 4.185 20 30 HIEDRO CCc1cccc(NC(=[NH2+])NC[C@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000303866403 855259406 /nfs/dbraw/zinc/25/94/06/855259406.db2.gz CHRIIKLNLIKURZ-MRXNPFEDSA-N 1 0 401.352 4.265 20 30 HIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000303898340 855276391 /nfs/dbraw/zinc/27/63/91/855276391.db2.gz VMGONUDREBQORV-IPMKNSEASA-N 1 0 422.573 4.376 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2cccc(NC(=O)CC(C)C)c2)c1 ZINC000303897872 855276639 /nfs/dbraw/zinc/27/66/39/855276639.db2.gz VFVRPNLPADNAOY-UHFFFAOYSA-N 1 0 412.534 4.395 20 30 HIEDRO [NH2+]=C(NC[C@@H]1CCN(c2ccc(Br)cc2)C1)Nc1ccc2c(c1)CCC2 ZINC000303901179 855277263 /nfs/dbraw/zinc/27/72/63/855277263.db2.gz XFMVAUWOBGXZQO-HNNXBMFYSA-N 1 0 413.363 4.191 20 30 HIEDRO COc1cccc(OC)c1Oc1ccc(CNC(=[NH2+])Nc2cc(C)cc(C)c2)cn1 ZINC000303901349 855277627 /nfs/dbraw/zinc/27/76/27/855277627.db2.gz SQZLLGBSRAAFAW-UHFFFAOYSA-N 1 0 406.486 4.435 20 30 HIEDRO Cc1cc(C)cc(NC(=[NH2+])NCCC(=O)Nc2cc(Br)ccc2C)c1 ZINC000303974605 855331476 /nfs/dbraw/zinc/33/14/76/855331476.db2.gz IBWRCNVYCUMEDU-UHFFFAOYSA-N 1 0 403.324 4.130 20 30 HIEDRO Cc1ccc(NC(=[NH2+])NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1C ZINC000303979402 855333716 /nfs/dbraw/zinc/33/37/16/855333716.db2.gz NCFYIPAFLZCGEU-HXUWFJFHSA-N 1 0 420.479 4.122 20 30 HIEDRO CCc1cccc(NC(=[NH2+])NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 ZINC000303986098 855336709 /nfs/dbraw/zinc/33/67/09/855336709.db2.gz UDBOQPIKTBIELG-FQEVSTJZSA-N 1 0 420.479 4.068 20 30 HIEDRO COc1ccc(NC(=[NH2+])NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1Cl ZINC000304741527 855357590 /nfs/dbraw/zinc/35/75/90/855357590.db2.gz CFPNZAZHTXCURP-QGZVFWFLSA-N 1 0 418.925 4.341 20 30 HIEDRO CCc1cccc(CC)c1NC(=[NH2+])NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000305046354 855360264 /nfs/dbraw/zinc/36/02/64/855360264.db2.gz YCGWIDDXAIHYEE-QGZVFWFLSA-N 1 0 410.562 4.082 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000409523068 855521779 /nfs/dbraw/zinc/52/17/79/855521779.db2.gz RLVVAQOBOCCZSA-HNNXBMFYSA-N 1 0 412.347 4.018 20 30 HIEDRO N#CC1(NC(=O)C[NH2+][C@H](CC2CC2)c2cc(F)cc(Br)c2)CCCCC1 ZINC000425920679 855999533 /nfs/dbraw/zinc/99/95/33/855999533.db2.gz OZGMBXMFIVMQME-GOSISDBHSA-N 1 0 422.342 4.362 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 ZINC000425992631 856034249 /nfs/dbraw/zinc/03/42/49/856034249.db2.gz GARCJZNJRQKIQP-UHFFFAOYSA-N 1 0 417.469 4.079 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427243939 856732864 /nfs/dbraw/zinc/73/28/64/856732864.db2.gz AZIBCVAUZNSASI-LJQANCHMSA-N 1 0 421.520 4.065 20 30 HIEDRO N#Cc1cnc2c(F)cc(F)cc2c1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000427391525 856803826 /nfs/dbraw/zinc/80/38/26/856803826.db2.gz QZSFYLUWPZUFBS-UHFFFAOYSA-N 1 0 408.452 4.022 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ncc(Br)cc1F ZINC000427717228 856921019 /nfs/dbraw/zinc/92/10/19/856921019.db2.gz FPRPCWKQUJHHHH-SWLSCSKDSA-N 1 0 421.289 4.314 20 30 HIEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2ncc(C#N)cc2Cl)cc1 ZINC000427919877 857007679 /nfs/dbraw/zinc/00/76/79/857007679.db2.gz BROWYWCHOJCFHT-UHFFFAOYSA-N 1 0 404.901 4.265 20 30 HIEDRO N#Cc1cnc(C(=O)N2CC[N@H+](Cc3ccccc3)C3(CCCCC3)C2)c(Cl)c1 ZINC000428034583 857050085 /nfs/dbraw/zinc/05/00/85/857050085.db2.gz CXXAADFTZVZUGP-UHFFFAOYSA-N 1 0 408.933 4.268 20 30 HIEDRO C=CCOc1ccc(C[NH2+]C2(C(=O)Nc3ccc(OC)c(OC)c3)CCCC2)cc1 ZINC000428387215 857185723 /nfs/dbraw/zinc/18/57/23/857185723.db2.gz FRYGRTUTVSQLKB-UHFFFAOYSA-N 1 0 410.514 4.310 20 30 HIEDRO C[C@@H](CCNC(=O)c1cnn(CCC#N)c1-c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000428614231 857278908 /nfs/dbraw/zinc/27/89/08/857278908.db2.gz GADKYKVSJULXJU-FQEVSTJZSA-N 1 0 415.541 4.104 20 30 HIEDRO C[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428923523 857418546 /nfs/dbraw/zinc/41/85/46/857418546.db2.gz DOBTXMDVJVEMGC-QRWLVFNGSA-N 1 0 417.431 4.368 20 30 HIEDRO COc1ccc(C[NH+]2CCC(CNC(=O)N[C@@H](CCC#N)c3ccccc3)CC2)cc1 ZINC000429066446 857490108 /nfs/dbraw/zinc/49/01/08/857490108.db2.gz UDUYJJJWIRXUFG-DEOSSOPVSA-N 1 0 420.557 4.251 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429780531 857882891 /nfs/dbraw/zinc/88/28/91/857882891.db2.gz ATRBQYGTXFYIJP-LEWJYISDSA-N 1 0 419.573 4.190 20 30 HIEDRO CC[NH+](CC)CCCC1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 ZINC000430084692 858024816 /nfs/dbraw/zinc/02/48/16/858024816.db2.gz YNYABRLPVXECGH-UHFFFAOYSA-N 1 0 421.589 4.438 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cnc3ccc(Oc4ccccc4)cc3c2O)CC1 ZINC000430539391 858211639 /nfs/dbraw/zinc/21/16/39/858211639.db2.gz DQHGUYXSQMVTKQ-UHFFFAOYSA-N 1 0 417.509 4.091 20 30 HIEDRO N#CCSc1cccc(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)c1 ZINC000430724960 858279063 /nfs/dbraw/zinc/27/90/63/858279063.db2.gz PLOUKTSMZDYUOQ-UHFFFAOYSA-N 1 0 422.554 4.369 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000430773545 858299460 /nfs/dbraw/zinc/29/94/60/858299460.db2.gz VECULYSGGGVGKA-GOSISDBHSA-N 1 0 401.576 4.082 20 30 HIEDRO CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000430828543 858319743 /nfs/dbraw/zinc/31/97/43/858319743.db2.gz BOGFWXHLIVZWDV-RBBKRZOGSA-N 1 0 406.530 4.376 20 30 HIEDRO C=CCN1C(=O)N(CC2CC[NH+](Cc3cccs3)CC2)C(=O)[C@H]1Cc1ccccc1 ZINC000431170826 858485511 /nfs/dbraw/zinc/48/55/11/858485511.db2.gz ZBFKDQWSGVHEAN-JOCHJYFZSA-N 1 0 423.582 4.022 20 30 HIEDRO N#CCCC[C@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1ccccc1 ZINC000431901802 858862456 /nfs/dbraw/zinc/86/24/56/858862456.db2.gz YHCVPIMGJQONIS-RPWUZVMVSA-N 1 0 420.557 4.012 20 30 HIEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467576139 881392607 /nfs/dbraw/zinc/39/26/07/881392607.db2.gz HZDIKOQSPHSIQE-UHFFFAOYSA-N 1 0 417.553 4.195 20 30 HIEDRO N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000432585143 859240534 /nfs/dbraw/zinc/24/05/34/859240534.db2.gz BWPLNFZMYXGTME-UHFFFAOYSA-N 1 0 404.514 4.292 20 30 HIEDRO N#CCCC[C@H]([NH2+]CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000433011031 859476226 /nfs/dbraw/zinc/47/62/26/859476226.db2.gz MJWPWSVZJBBZIE-FCHUYYIVSA-N 1 0 419.525 4.146 20 30 HIEDRO C[C@@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433306096 859628716 /nfs/dbraw/zinc/62/87/16/859628716.db2.gz ROZIEWZSKJHNMQ-RDJZCZTQSA-N 1 0 412.331 4.212 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCc2csc(-c3ccccc3)n2)c(-c2ccncc2)n1 ZINC000433323948 859641693 /nfs/dbraw/zinc/64/16/93/859641693.db2.gz AIKXLKHJCTWITH-UHFFFAOYSA-N 1 0 414.538 4.315 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccccc2OCC(F)(F)F)c(-c2ccncc2)n1 ZINC000433325019 859641833 /nfs/dbraw/zinc/64/18/33/859641833.db2.gz GRELFFBMLGKDDK-UHFFFAOYSA-N 1 0 415.419 4.090 20 30 HIEDRO N#CCCn1cc(CNc2cccc(CC[NH+]3CCCC3)c2)c(-c2ccncc2)n1 ZINC000433335068 859649387 /nfs/dbraw/zinc/64/93/87/859649387.db2.gz NYMYXEHPUSFNPZ-UHFFFAOYSA-N 1 0 400.530 4.109 20 30 HIEDRO COC(=O)[C@H](NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1cccc(C#N)c1 ZINC000434863057 860527277 /nfs/dbraw/zinc/52/72/77/860527277.db2.gz XOHISAFTGYPIIJ-RUZDIDTESA-N 1 0 413.521 4.291 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1cccc(OCc2ccccn2)c1 ZINC000434879222 860531692 /nfs/dbraw/zinc/53/16/92/860531692.db2.gz HWESIXYMUROZFP-KKSFZXQISA-N 1 0 418.522 4.050 20 30 HIEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000434882185 860532780 /nfs/dbraw/zinc/53/27/80/860532780.db2.gz APVKFVJIQBJWQD-LBPRGKRZSA-N 1 0 414.478 4.303 20 30 HIEDRO COc1cc(C[NH+]2CCC(c3c[nH]cn3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000434982962 860585036 /nfs/dbraw/zinc/58/50/36/860585036.db2.gz SJPLSSSOIJDZFS-UHFFFAOYSA-N 1 0 402.498 4.249 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000435520363 860837269 /nfs/dbraw/zinc/83/72/69/860837269.db2.gz CEDGIOOQVHWUIB-UHFFFAOYSA-N 1 0 416.525 4.317 20 30 HIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000435737326 861019285 /nfs/dbraw/zinc/01/92/85/861019285.db2.gz HBZWZZNVZUYZGM-WMZHIEFXSA-N 1 0 412.486 4.253 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H]2CCO[C@H]2C(=C)C)cc1OCC ZINC000435742547 861023885 /nfs/dbraw/zinc/02/38/85/861023885.db2.gz NYGWIGCBMMCONZ-APWZRJJASA-N 1 0 410.352 4.483 20 30 HIEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000437960892 863332271 /nfs/dbraw/zinc/33/22/71/863332271.db2.gz WWOBRSLXRJIJGD-CEMLEFRQSA-N 1 0 421.566 4.033 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H]1c1cccs1 ZINC000437981820 863348816 /nfs/dbraw/zinc/34/88/16/863348816.db2.gz COMCZFIBYJHGGD-RDTXWAMCSA-N 1 0 420.485 4.426 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000438072346 863457865 /nfs/dbraw/zinc/45/78/65/863457865.db2.gz IYOXQZWPNJNQCW-QGZVFWFLSA-N 1 0 408.571 4.302 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000438465642 863887531 /nfs/dbraw/zinc/88/75/31/863887531.db2.gz LPONFELYSWUBAH-UHFFFAOYSA-N 1 0 405.420 4.374 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000438486977 863902841 /nfs/dbraw/zinc/90/28/41/863902841.db2.gz RAIYTXGWONNRIV-UHFFFAOYSA-N 1 0 413.905 4.248 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1)C1CC1 ZINC000438633941 864064536 /nfs/dbraw/zinc/06/45/36/864064536.db2.gz XJEJIOKMOSLUIS-UHFFFAOYSA-N 1 0 418.541 4.058 20 30 HIEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000439194885 864620878 /nfs/dbraw/zinc/62/08/78/864620878.db2.gz ZGIVZYZESHOLTG-FOVJLYNBSA-N 1 0 417.557 4.088 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCC[C@H](C(F)(F)F)C3)CC2)cc1 ZINC000439579874 864899823 /nfs/dbraw/zinc/89/98/23/864899823.db2.gz HDNHFKYPBPOPRQ-PMACEKPBSA-N 1 0 422.495 4.144 20 30 HIEDRO O=C(Nc1ccccc1Br)C1CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000439882170 865193940 /nfs/dbraw/zinc/19/39/40/865193940.db2.gz HZGLQKFZLFKJEH-UHFFFAOYSA-N 1 0 415.306 4.290 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000440251492 865492270 /nfs/dbraw/zinc/49/22/70/865492270.db2.gz DFPXUSIRMDITTO-NRFANRHFSA-N 1 0 400.473 4.083 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH2+][C@@]2(CO)CCCc3ccccc32)sc2c1CCCCC2 ZINC000440817348 865933856 /nfs/dbraw/zinc/93/38/56/865933856.db2.gz BYJGGYQTAMPSJP-XMMPIXPASA-N 1 0 423.582 4.031 20 30 HIEDRO N#Cc1cccc(-c2nnc(CN3CC[NH+](Cc4cccc5ccccc54)CC3)o2)c1 ZINC000441177854 866255687 /nfs/dbraw/zinc/25/56/87/866255687.db2.gz NPGIVNJSVFBOED-UHFFFAOYSA-N 1 0 409.493 4.079 20 30 HIEDRO COc1ccc2[nH]cc(C3CC[NH+](Cc4nnc(-c5ccc(C#N)cc5)o4)CC3)c2c1 ZINC000441234092 866309781 /nfs/dbraw/zinc/30/97/81/866309781.db2.gz VDXLWOZSBDGWHH-UHFFFAOYSA-N 1 0 413.481 4.478 20 30 HIEDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)c(C)c1 ZINC000441364163 866431787 /nfs/dbraw/zinc/43/17/87/866431787.db2.gz LRDDVFLHTYMVTC-QPPBQGQZSA-N 1 0 415.541 4.166 20 30 HIEDRO CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000441548324 866625543 /nfs/dbraw/zinc/62/55/43/866625543.db2.gz YVMKQJJHNUIYOE-GCJKJVERSA-N 1 0 401.514 4.266 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442067743 867098703 /nfs/dbraw/zinc/09/87/03/867098703.db2.gz ASIAKNJEXKAFSZ-UHFFFAOYSA-N 1 0 424.398 4.192 20 30 HIEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 ZINC000442942391 867756234 /nfs/dbraw/zinc/75/62/34/867756234.db2.gz HYVDRSZTTXNXFS-UHFFFAOYSA-N 1 0 417.431 4.019 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000442961569 867766047 /nfs/dbraw/zinc/76/60/47/867766047.db2.gz BJZFZRMPHSTPBI-XLIONFOSSA-N 1 0 417.431 4.096 20 30 HIEDRO O[C@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000443617473 868183156 /nfs/dbraw/zinc/18/31/56/868183156.db2.gz XENGEULDFBQBOK-LLVKDONJSA-N 1 0 409.292 4.426 20 30 HIEDRO C=CCc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443651610 868244010 /nfs/dbraw/zinc/24/40/10/868244010.db2.gz FGMWOCFTJAVVJL-AZUAARDMSA-N 1 0 410.489 4.315 20 30 HIEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](c2nc3ccc(F)cc3o2)C1 ZINC000443651614 868244965 /nfs/dbraw/zinc/24/49/65/868244965.db2.gz FGMWOCFTJAVVJL-ICSRJNTNSA-N 1 0 410.489 4.315 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000444215029 868670029 /nfs/dbraw/zinc/67/00/29/868670029.db2.gz SAWDIDAYPCAGEE-PKOBYXMFSA-N 1 0 401.576 4.300 20 30 HIEDRO COc1ccc(SCCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000444287390 868717596 /nfs/dbraw/zinc/71/75/96/868717596.db2.gz MLNCBLOSMICPKF-UHFFFAOYSA-N 1 0 423.582 4.242 20 30 HIEDRO OCC1(Cc2ccccc2)CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000444789235 869005331 /nfs/dbraw/zinc/00/53/31/869005331.db2.gz CXAPDLYYNHIBIX-UHFFFAOYSA-N 1 0 403.444 4.254 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N(C)C[C@@H](CC)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000468327116 882257787 /nfs/dbraw/zinc/25/77/87/882257787.db2.gz PBKOGPGSOMLXQF-MRXNPFEDSA-N 1 0 414.377 4.443 20 30 HIEDRO Cc1cc(Br)c(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1Cl ZINC000444908772 869094457 /nfs/dbraw/zinc/09/44/57/869094457.db2.gz BBQOBYVICNIWJL-UHFFFAOYSA-N 1 0 401.736 4.110 20 30 HIEDRO C[C@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000444977316 869138368 /nfs/dbraw/zinc/13/83/68/869138368.db2.gz SQBPDXCAVKFWCG-SFHVURJKSA-N 1 0 402.542 4.460 20 30 HIEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC000445989334 869953678 /nfs/dbraw/zinc/95/36/78/869953678.db2.gz TYNMXQKARUTKTM-UYAOXDASSA-N 1 0 401.432 4.119 20 30 HIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000446518809 870436401 /nfs/dbraw/zinc/43/64/01/870436401.db2.gz CWNCOBZFEXFTSE-UHFFFAOYSA-N 1 0 419.978 4.397 20 30 HIEDRO CC[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000446840035 870758254 /nfs/dbraw/zinc/75/82/54/870758254.db2.gz WOILPPPJQGUURZ-UHFFFAOYSA-N 1 0 404.432 4.161 20 30 HIEDRO C=C(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000460371093 873005489 /nfs/dbraw/zinc/00/54/89/873005489.db2.gz UCWMZHOVAOLTPQ-REWPJTCUSA-N 1 0 423.605 4.086 20 30 HIEDRO C=C(C)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000460371092 873006410 /nfs/dbraw/zinc/00/64/10/873006410.db2.gz UCWMZHOVAOLTPQ-NZQKXSOJSA-N 1 0 423.605 4.086 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460373812 873009796 /nfs/dbraw/zinc/00/97/96/873009796.db2.gz UNUKOFZXXXTYNF-XBYSBRQOSA-N 1 0 423.605 4.408 20 30 HIEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460554977 873270848 /nfs/dbraw/zinc/27/08/48/873270848.db2.gz PAZBVVARMARSHT-OAQYLSRUSA-N 1 0 409.578 4.196 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460558950 873283240 /nfs/dbraw/zinc/28/32/40/873283240.db2.gz QLLDVHCLCXFTKY-ZRNYENFQSA-N 1 0 403.615 4.082 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000460572890 873306715 /nfs/dbraw/zinc/30/67/15/873306715.db2.gz CEDNFRNZRPQIGJ-GPQLQYNLSA-N 1 0 409.578 4.051 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460775889 873628608 /nfs/dbraw/zinc/62/86/08/873628608.db2.gz HQRRHXKXBXPADT-BAMDZGJYSA-N 1 0 423.605 4.441 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460793878 873660043 /nfs/dbraw/zinc/66/00/43/873660043.db2.gz MOIMFDSVTHQOFP-PNJWGLBASA-N 1 0 423.605 4.266 20 30 HIEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460936517 873837656 /nfs/dbraw/zinc/83/76/56/873837656.db2.gz ZBTLKKYNACDFLJ-HXUWFJFHSA-N 1 0 402.546 4.017 20 30 HIEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460937062 873838179 /nfs/dbraw/zinc/83/81/79/873838179.db2.gz QKQCKIFNBGODQW-UHFFFAOYSA-N 1 0 404.562 4.457 20 30 HIEDRO C=C(C)Cn1c(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)nnc1C(F)(F)Oc1ccccc1 ZINC000460950502 873848810 /nfs/dbraw/zinc/84/88/10/873848810.db2.gz QJFTZCMNAPZWFW-ROUUACIJSA-N 1 0 417.504 4.046 20 30 HIEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460951349 873849885 /nfs/dbraw/zinc/84/98/85/873849885.db2.gz WCDJWIJWTBIBFZ-HXUWFJFHSA-N 1 0 402.546 4.017 20 30 HIEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)[C@H](C)C1 ZINC000461482029 874541837 /nfs/dbraw/zinc/54/18/37/874541837.db2.gz BPRKXYRURUWFEG-UTKZUKDTSA-N 1 0 420.586 4.093 20 30 HIEDRO CC[NH+](CC)CCSCC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000461528366 874613508 /nfs/dbraw/zinc/61/35/08/874613508.db2.gz BKAQZBGEHCZELV-UHFFFAOYSA-N 1 0 402.539 4.118 20 30 HIEDRO CC(C)[N@@H+]1CCc2nc(CNc3ccc4c(c3)CCC(=O)N4CCCC#N)sc2C1 ZINC000468781232 882857351 /nfs/dbraw/zinc/85/73/51/882857351.db2.gz BKNBCFVVFLLPNM-UHFFFAOYSA-N 1 0 423.586 4.105 20 30 HIEDRO C[C@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000462037998 875151248 /nfs/dbraw/zinc/15/12/48/875151248.db2.gz SZSKAKGBSBOPLI-SFHVURJKSA-N 1 0 404.514 4.115 20 30 HIEDRO C[C@@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)c1cccc(C#N)c1 ZINC000462039876 875153387 /nfs/dbraw/zinc/15/33/87/875153387.db2.gz PGWGETRMXSYUGL-GOSISDBHSA-N 1 0 404.514 4.115 20 30 HIEDRO Cc1cc(NC(=O)[C@H](C)c2cccc(C#N)c2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000462246632 875365231 /nfs/dbraw/zinc/36/52/31/875365231.db2.gz LQYRHTGTMWUWCQ-XXBNENTESA-N 1 0 413.525 4.252 20 30 HIEDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000462249542 875370099 /nfs/dbraw/zinc/37/00/99/875370099.db2.gz WKYPMNPYKJWJLG-MRXNPFEDSA-N 1 0 414.347 4.015 20 30 HIEDRO CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000462797917 875846999 /nfs/dbraw/zinc/84/69/99/875846999.db2.gz KBPKJLYILIPPGD-UHFFFAOYSA-N 1 0 407.514 4.388 20 30 HIEDRO N#Cc1ccccc1COc1cccc(CNc2cccc(C[N@H+]3CC[C@H](O)C3)c2)c1 ZINC000462852621 875886749 /nfs/dbraw/zinc/88/67/49/875886749.db2.gz GXAJNHQCGRLZHS-VWLOTQADSA-N 1 0 413.521 4.316 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000463209009 876270570 /nfs/dbraw/zinc/27/05/70/876270570.db2.gz HPTRHBCKXVCIOD-UKAVVXHISA-N 1 0 415.603 4.425 20 30 HIEDRO CN(Cc1ccccc1)[C@@H](C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)C1CC1 ZINC000463270860 876329706 /nfs/dbraw/zinc/32/97/06/876329706.db2.gz ZSQCTPHCUPRSKV-SANMLTNESA-N 1 0 402.586 4.023 20 30 HIEDRO COc1cc(Br)ccc1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000463281143 876338037 /nfs/dbraw/zinc/33/80/37/876338037.db2.gz KGAGLYKZSNCPMT-UHFFFAOYSA-N 1 0 414.347 4.084 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3Cc4ccc(O)cc4C4(CC4)C3)sc2C1 ZINC000463420332 876475307 /nfs/dbraw/zinc/47/53/07/876475307.db2.gz QYMLMFOXUOATMQ-OAHLLOKOSA-N 1 0 421.566 4.326 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000463774988 876895440 /nfs/dbraw/zinc/89/54/40/876895440.db2.gz KDAPOQIOJXWRHE-KKSFZXQISA-N 1 0 400.544 4.134 20 30 HIEDRO C[C@@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000464059289 877203332 /nfs/dbraw/zinc/20/33/32/877203332.db2.gz NYPSHBHOTSJWFP-QGZVFWFLSA-N 1 0 415.459 4.483 20 30 HIEDRO Cc1cccc(N2CC[NH+](CCCNC(=O)Nc3ccc(C(C)(C)C#N)cc3)CC2)c1 ZINC000503244714 912225444 /nfs/dbraw/zinc/22/54/44/912225444.db2.gz XGCPTWGNCCQUAO-UHFFFAOYSA-N 1 0 419.573 4.130 20 30 HIEDRO N#Cc1ccccc1COc1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000464347256 877539248 /nfs/dbraw/zinc/53/92/48/877539248.db2.gz XNEJWQSZRXIEKM-HSZRJFAPSA-N 1 0 403.526 4.132 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000464763267 878004112 /nfs/dbraw/zinc/00/41/12/878004112.db2.gz ALKLHZTYZIDQKR-WOJBJXKFSA-N 1 0 423.582 4.445 20 30 HIEDRO CCS[C@@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000464780528 878025413 /nfs/dbraw/zinc/02/54/13/878025413.db2.gz UDHWAIXCAGWJIB-IEBWSBKVSA-N 1 0 414.575 4.162 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464839485 878107095 /nfs/dbraw/zinc/10/70/95/878107095.db2.gz PUMJGLVMTCNBRV-ZWKOTPCHSA-N 1 0 422.598 4.032 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000464841053 878109445 /nfs/dbraw/zinc/10/94/45/878109445.db2.gz WDHBJNHDKCFKDN-XMMPIXPASA-N 1 0 418.585 4.004 20 30 HIEDRO CN(CC(=O)c1cn(CCC#N)c2ccccc12)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464842954 878115528 /nfs/dbraw/zinc/11/55/28/878115528.db2.gz NUQYGQUYNGCLSR-JOCHJYFZSA-N 1 0 414.553 4.192 20 30 HIEDRO CCCn1nccc1C1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000503372236 912352027 /nfs/dbraw/zinc/35/20/27/912352027.db2.gz VEWRLTKAGSVZGU-NRFANRHFSA-N 1 0 421.589 4.425 20 30 HIEDRO CCCn1nccc1C1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000503372237 912352783 /nfs/dbraw/zinc/35/27/83/912352783.db2.gz VEWRLTKAGSVZGU-OAQYLSRUSA-N 1 0 421.589 4.425 20 30 HIEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000465188459 878581603 /nfs/dbraw/zinc/58/16/03/878581603.db2.gz UXGBEWMTLUXYTM-YADARESESA-N 1 0 421.541 4.321 20 30 HIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000465188456 878582106 /nfs/dbraw/zinc/58/21/06/878582106.db2.gz UXGBEWMTLUXYTM-CYFREDJKSA-N 1 0 421.541 4.321 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)cc1 ZINC000465428352 878859761 /nfs/dbraw/zinc/85/97/61/878859761.db2.gz KQJOZKZSUKPBND-HSZRJFAPSA-N 1 0 423.513 4.091 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000465589777 879071905 /nfs/dbraw/zinc/07/19/05/879071905.db2.gz DHNCWWYPGVRWGW-SGNDLWITSA-N 1 0 402.542 4.305 20 30 HIEDRO C[C@@H]1CCN(C(=O)NCCSCc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000465632719 879145050 /nfs/dbraw/zinc/14/50/50/879145050.db2.gz LOLBFBJZTOLOFT-HXUWFJFHSA-N 1 0 422.598 4.097 20 30 HIEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000503428580 912425220 /nfs/dbraw/zinc/42/52/20/912425220.db2.gz PUQKLLCJAMYKPO-HXUWFJFHSA-N 1 0 421.507 4.355 20 30 HIEDRO C[C@H](NC(=O)NCc1ccccc1CN(C)Cc1ccco1)c1ccc(C#N)cc1 ZINC000465655575 879181481 /nfs/dbraw/zinc/18/14/81/879181481.db2.gz IIFJVNYIIQQXMQ-SFHVURJKSA-N 1 0 402.498 4.344 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1ccccc1C(=O)N1CCCCC1)C(C)C ZINC000503434757 912438155 /nfs/dbraw/zinc/43/81/55/912438155.db2.gz FOCCDKDYFSYDHO-QFIPXVFZSA-N 1 0 412.578 4.133 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000465803622 879416658 /nfs/dbraw/zinc/41/66/58/879416658.db2.gz BQHWDMGCSQLMDF-UEVCKROQSA-N 1 0 422.598 4.441 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)CC1 ZINC000466225449 879924605 /nfs/dbraw/zinc/92/46/05/879924605.db2.gz ZLCDZUZSEBQERN-SFHVURJKSA-N 1 0 410.331 4.085 20 30 HIEDRO CCS(=O)(=O)c1cccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c1 ZINC000466415845 880185300 /nfs/dbraw/zinc/18/53/00/880185300.db2.gz HVMLCJKXYRKNPC-UHFFFAOYSA-N 1 0 420.534 4.221 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ncccc1OCCCC#N ZINC000466602902 880371332 /nfs/dbraw/zinc/37/13/32/880371332.db2.gz YYUFUMTUOGJRMH-LJQANCHMSA-N 1 0 421.545 4.460 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1ncccc1OCCCC#N ZINC000466602319 880372400 /nfs/dbraw/zinc/37/24/00/880372400.db2.gz VXWHABCRSBCQQB-UHFFFAOYSA-N 1 0 415.925 4.013 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(Cc2ccccc2)CCC1 ZINC000466604460 880373593 /nfs/dbraw/zinc/37/35/93/880373593.db2.gz OLVYKJNSPKJGNS-UHFFFAOYSA-N 1 0 404.558 4.044 20 30 HIEDRO CCCCN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000467255092 880987416 /nfs/dbraw/zinc/98/74/16/880987416.db2.gz WCRRPXFLMWFUMB-UHFFFAOYSA-N 1 0 407.562 4.295 20 30 HIEDRO COCC[C@@H]1CCCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000467273810 881016036 /nfs/dbraw/zinc/01/60/36/881016036.db2.gz SSZSIKHALNCPAD-KRWDZBQOSA-N 1 0 403.592 4.356 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+]CC2(c3ccccc3)CCOCC2)c1 ZINC000467406653 881192854 /nfs/dbraw/zinc/19/28/54/881192854.db2.gz URKPZXRDCDVSAR-JOCHJYFZSA-N 1 0 419.569 4.277 20 30 HIEDRO Cc1c([C@H](C)[NH2+]CCc2cccc(C#N)c2)nnn1-c1cccc(Br)c1 ZINC000467449452 881251692 /nfs/dbraw/zinc/25/16/92/881251692.db2.gz JVUNCILWSZRHLZ-AWEZNQCLSA-N 1 0 410.319 4.103 20 30 HIEDRO C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000469240473 883338978 /nfs/dbraw/zinc/33/89/78/883338978.db2.gz JOFBHZCODNTJEE-PELRDEGISA-N 1 0 421.541 4.184 20 30 HIEDRO C[C@@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C(C)(C)C[NH+](C)C ZINC000469504662 883751518 /nfs/dbraw/zinc/75/15/18/883751518.db2.gz IVDMAWJHTZNANL-GOSISDBHSA-N 1 0 408.546 4.429 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1cc(F)c(F)c(F)c1F)c1cccc(C(F)(F)F)c1 ZINC000469756270 883920188 /nfs/dbraw/zinc/92/01/88/883920188.db2.gz GFBKBECONCKLTF-ZDUSSCGKSA-N 1 0 408.317 4.295 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCSc4c(F)cccc43)CC2)cc1 ZINC000503970176 912889978 /nfs/dbraw/zinc/88/99/78/912889978.db2.gz QHGFLSQRQBQJGD-OAQYLSRUSA-N 1 0 424.545 4.152 20 30 HIEDRO C=CCOCCC[NH+]1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000470873349 885361734 /nfs/dbraw/zinc/36/17/34/885361734.db2.gz JDTHOOHAOQJXMV-UHFFFAOYSA-N 1 0 406.324 4.271 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000504108846 913018244 /nfs/dbraw/zinc/01/82/44/913018244.db2.gz MYWHCSGHSDAEPJ-JOCHJYFZSA-N 1 0 401.599 4.349 20 30 HIEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000471566949 886276022 /nfs/dbraw/zinc/27/60/22/886276022.db2.gz RUCUYUGLVKXKJG-XMMPIXPASA-N 1 0 421.541 4.118 20 30 HIEDRO CC[C@@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@@H]1c1ccccc1 ZINC000472239959 887047921 /nfs/dbraw/zinc/04/79/21/887047921.db2.gz JGGHBRPBRSAPQY-XXBNENTESA-N 1 0 413.525 4.198 20 30 HIEDRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 ZINC000472855739 887710842 /nfs/dbraw/zinc/71/08/42/887710842.db2.gz RZDFAYKFWLNRNY-UHFFFAOYSA-N 1 0 419.569 4.441 20 30 HIEDRO C[C@@H](CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@H+](C)Cc1ccccc1 ZINC000473027461 887850467 /nfs/dbraw/zinc/85/04/67/887850467.db2.gz ZHSRZHKQWPGBDF-FQEVSTJZSA-N 1 0 420.557 4.022 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)sc2c1CCCCC2 ZINC000473178540 887957331 /nfs/dbraw/zinc/95/73/31/887957331.db2.gz XROWCTYHCHELFE-DEOSSOPVSA-N 1 0 421.566 4.349 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000504385727 913210295 /nfs/dbraw/zinc/21/02/95/913210295.db2.gz YGMHFAHEBRCRHD-LJQANCHMSA-N 1 0 421.541 4.103 20 30 HIEDRO CC[NH+]1CCN(c2cccc(NC(=O)N(Cc3ccc(C#N)cc3)CC(C)C)c2)CC1 ZINC000473816840 888643590 /nfs/dbraw/zinc/64/35/90/888643590.db2.gz IOUUUTXMONDSRL-UHFFFAOYSA-N 1 0 419.573 4.390 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474223309 889062517 /nfs/dbraw/zinc/06/25/17/889062517.db2.gz OOFICQWRLYOKMK-TZIWHRDSSA-N 1 0 422.598 4.226 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000474224773 889065123 /nfs/dbraw/zinc/06/51/23/889065123.db2.gz GKXARXMKERNFFQ-IBGZPJMESA-N 1 0 422.598 4.033 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@H]1c1cc(C)ccc1C ZINC000474234791 889078615 /nfs/dbraw/zinc/07/86/15/889078615.db2.gz SOYKSQWWMVPJCO-QHCPKHFHSA-N 1 0 422.573 4.406 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccccc2CC[NH+](C)C)cc1C ZINC000474642457 889504202 /nfs/dbraw/zinc/50/42/02/889504202.db2.gz XAARQTDCRRBIDY-UHFFFAOYSA-N 1 0 415.541 4.437 20 30 HIEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)C[C@@H](CC#N)c3ccccc3)CC2)c1 ZINC000474780307 889638785 /nfs/dbraw/zinc/63/87/85/889638785.db2.gz KRUFXDCIFZSSQY-XMMPIXPASA-N 1 0 418.585 4.101 20 30 HIEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1O2 ZINC000474787833 889645521 /nfs/dbraw/zinc/64/55/21/889645521.db2.gz MYJMKLDRDJTYRB-OAQYLSRUSA-N 1 0 403.526 4.206 20 30 HIEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000474822042 889676466 /nfs/dbraw/zinc/67/64/66/889676466.db2.gz NSWRDAOZNMTJOO-UHFFFAOYSA-N 1 0 407.905 4.272 20 30 HIEDRO COc1ccccc1[C@H](CNC(=O)C[C@H](CC#N)c1ccccc1)[NH+]1CCCCC1 ZINC000475025927 889877972 /nfs/dbraw/zinc/87/79/72/889877972.db2.gz ZIQVXKXTECMOPX-GMAHTHKFSA-N 1 0 405.542 4.426 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000475167911 890033689 /nfs/dbraw/zinc/03/36/89/890033689.db2.gz RMBKTHIVLLIUMO-AZUAARDMSA-N 1 0 411.590 4.246 20 30 HIEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000475466429 890375309 /nfs/dbraw/zinc/37/53/09/890375309.db2.gz YXOCQEYCEIPWRS-GOSISDBHSA-N 1 0 422.548 4.260 20 30 HIEDRO Cc1cccc(CC2(O)CC[NH+](Cc3cn(CCC#N)nc3-c3ccccc3)CC2)c1 ZINC000475508083 890424607 /nfs/dbraw/zinc/42/46/07/890424607.db2.gz IIATYNDONBJJIZ-UHFFFAOYSA-N 1 0 414.553 4.342 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000475684621 890625100 /nfs/dbraw/zinc/62/51/00/890625100.db2.gz BWAKURHCTCMHOZ-DVECYGJZSA-N 1 0 423.582 4.089 20 30 HIEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000476487362 891396099 /nfs/dbraw/zinc/39/60/99/891396099.db2.gz IUABZUDZVJYDMQ-QFIPXVFZSA-N 1 0 405.542 4.320 20 30 HIEDRO COc1cccc([C@@H]2[C@H](NC(=O)C[C@H](CC#N)c3ccccc3)CC[N@@H+]2C2CC2)c1 ZINC000476597588 891532317 /nfs/dbraw/zinc/53/23/17/891532317.db2.gz NUUSTWMBEGBAMH-DNVKUUNQSA-N 1 0 403.526 4.177 20 30 HIEDRO C=C(C)[C@H](NC(=O)NCc1ccc(OCC[NH+](C)C)cc1)c1ccc(F)c(F)c1 ZINC000476864625 891829426 /nfs/dbraw/zinc/82/94/26/891829426.db2.gz UKCIRSPYHGSKGW-NRFANRHFSA-N 1 0 403.473 4.022 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000477013294 891938560 /nfs/dbraw/zinc/93/85/60/891938560.db2.gz WOLSCFJKYARRDC-UHFFFAOYSA-N 1 0 409.578 4.348 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@H](CC)Cc2ccccc2Br)CC1 ZINC000477051807 891980977 /nfs/dbraw/zinc/98/09/77/891980977.db2.gz SVULDYIDXGKSPS-GOSISDBHSA-N 1 0 408.384 4.062 20 30 HIEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000477273202 892224956 /nfs/dbraw/zinc/22/49/56/892224956.db2.gz VGWWZLPZFHSWDC-UHFFFAOYSA-N 1 0 418.484 4.036 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000477482445 892469570 /nfs/dbraw/zinc/46/95/70/892469570.db2.gz IJOBTMVTKAUYJF-GOSISDBHSA-N 1 0 423.538 4.393 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000477570326 892631801 /nfs/dbraw/zinc/63/18/01/892631801.db2.gz QLRMHGBXNQYHDR-UHFFFAOYSA-N 1 0 419.554 4.259 20 30 HIEDRO N#Cc1cccc(OCCC[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 ZINC000477760125 892850099 /nfs/dbraw/zinc/85/00/99/892850099.db2.gz PDXOSUJPZOORAQ-UHFFFAOYSA-N 1 0 415.896 4.470 20 30 HIEDRO Cc1ccc([C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C2CC2)cc1 ZINC000504988860 913735030 /nfs/dbraw/zinc/73/50/30/913735030.db2.gz PWCJCWZPANRGGD-XMMPIXPASA-N 1 0 402.542 4.235 20 30 HIEDRO Cn1cc(C[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000478273530 893468576 /nfs/dbraw/zinc/46/85/76/893468576.db2.gz NFSOZXRIVKPZRV-GOSISDBHSA-N 1 0 409.896 4.120 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000478858353 894138655 /nfs/dbraw/zinc/13/86/55/894138655.db2.gz AOVXLAGZKCQOID-LJQANCHMSA-N 1 0 402.542 4.421 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(Cl)cc1C#N ZINC000478932203 894212836 /nfs/dbraw/zinc/21/28/36/894212836.db2.gz NMAOFRKHIZDCCZ-UHFFFAOYSA-N 1 0 401.967 4.310 20 30 HIEDRO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000479094832 894360618 /nfs/dbraw/zinc/36/06/18/894360618.db2.gz KFLTXPAYXDKDLD-UHFFFAOYSA-N 1 0 406.917 4.350 20 30 HIEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2C#N)[C@H]2CCCC[C@H]12 ZINC000479110068 894376999 /nfs/dbraw/zinc/37/69/99/894376999.db2.gz ZRGUMFUYGNDVIV-BDIVZWSOSA-N 1 0 424.589 4.071 20 30 HIEDRO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479210433 894474485 /nfs/dbraw/zinc/47/44/85/894474485.db2.gz CSNUBVIWFZDCEN-AKIFATBCSA-N 1 0 411.590 4.138 20 30 HIEDRO COc1ccc(CCCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479239958 894502324 /nfs/dbraw/zinc/50/23/24/894502324.db2.gz GKLDGOUPKATNCV-UHFFFAOYSA-N 1 0 405.542 4.083 20 30 HIEDRO Cc1c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cccc1-c1ccccn1 ZINC000479242960 894506074 /nfs/dbraw/zinc/50/60/74/894506074.db2.gz LNSOSMMPDDYIGF-UHFFFAOYSA-N 1 0 410.521 4.345 20 30 HIEDRO CC(C)c1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)nn1C(C)(C)C ZINC000479278068 894553933 /nfs/dbraw/zinc/55/39/33/894553933.db2.gz ICGCTPGPUIUUHK-UHFFFAOYSA-N 1 0 407.562 4.050 20 30 HIEDRO N#Cc1cccc(C2(NC(=O)NC[C@H](c3cccc(Cl)c3)[NH+]3CCCC3)CC2)c1 ZINC000479285557 894565231 /nfs/dbraw/zinc/56/52/31/894565231.db2.gz UWSPJNIUUOZRBL-OAQYLSRUSA-N 1 0 408.933 4.337 20 30 HIEDRO N#CC1(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000479288875 894569122 /nfs/dbraw/zinc/56/91/22/894569122.db2.gz YMTHNGQBHJLONS-ROUUACIJSA-N 1 0 411.908 4.257 20 30 HIEDRO Cc1c(Cl)cccc1NC(=O)CC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000479992647 895345881 /nfs/dbraw/zinc/34/58/81/895345881.db2.gz VOZRZCOCZWWJGY-UHFFFAOYSA-N 1 0 407.905 4.039 20 30 HIEDRO COc1ccccc1[C@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000480509991 895877399 /nfs/dbraw/zinc/87/73/99/895877399.db2.gz NRVWQHJBBYDSEF-QFIPXVFZSA-N 1 0 421.541 4.068 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481169831 896504132 /nfs/dbraw/zinc/50/41/32/896504132.db2.gz GHUMOXXCFPELLU-RDGATRHJSA-N 1 0 418.585 4.050 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000481174516 896509711 /nfs/dbraw/zinc/50/97/11/896509711.db2.gz HSIYBPWJQMOZHS-XUZZJYLKSA-N 1 0 418.585 4.050 20 30 HIEDRO Cc1noc(-c2ccccc2)c1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000481460772 896854640 /nfs/dbraw/zinc/85/46/40/896854640.db2.gz BZWFKKPANMUUSJ-UHFFFAOYSA-N 1 0 403.486 4.117 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H]2CCCO[C@H]2CC(C)C)c1C#N ZINC000481764586 897151992 /nfs/dbraw/zinc/15/19/92/897151992.db2.gz YFBJUGUXGUWZNH-SFTDATJTSA-N 1 0 400.567 4.214 20 30 HIEDRO C=CCOc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1OC ZINC000481894321 897272098 /nfs/dbraw/zinc/27/20/98/897272098.db2.gz ZNUPNNFTBJAAEA-XZOQPEGZSA-N 1 0 420.553 4.387 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000481914890 897297359 /nfs/dbraw/zinc/29/73/59/897297359.db2.gz BUUQBYMQDVGIQF-JOCHJYFZSA-N 1 0 404.510 4.392 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000481914891 897297950 /nfs/dbraw/zinc/29/79/50/897297950.db2.gz BUUQBYMQDVGIQF-QFIPXVFZSA-N 1 0 404.510 4.392 20 30 HIEDRO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCCCc2cc(C#N)ccc21 ZINC000481915196 897298793 /nfs/dbraw/zinc/29/87/93/897298793.db2.gz LMJTWDBLCBEWBE-OAQYLSRUSA-N 1 0 411.571 4.192 20 30 HIEDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481925021 897309283 /nfs/dbraw/zinc/30/92/83/897309283.db2.gz UQUQDRPUDBSJMI-HSZRJFAPSA-N 1 0 411.571 4.144 20 30 HIEDRO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481925022 897309515 /nfs/dbraw/zinc/30/95/15/897309515.db2.gz UQUQDRPUDBSJMI-QHCPKHFHSA-N 1 0 411.571 4.144 20 30 HIEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCCC2)cc1 ZINC000505473724 914149003 /nfs/dbraw/zinc/14/90/03/914149003.db2.gz XFBSJWUAQONHAI-UHFFFAOYSA-N 1 0 422.472 4.410 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2ccc(OC(F)F)cc2)C(F)(F)F)CC1 ZINC000482371844 897894818 /nfs/dbraw/zinc/89/48/18/897894818.db2.gz LVPTXRWOGOMENO-MRXNPFEDSA-N 1 0 421.410 4.231 20 30 HIEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)[C@@H]1Oc1ccccc1 ZINC000482515048 898102496 /nfs/dbraw/zinc/10/24/96/898102496.db2.gz VUUFWXVIVLTBHO-OYRHQHFDSA-N 1 0 416.525 4.178 20 30 HIEDRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000482663032 898265023 /nfs/dbraw/zinc/26/50/23/898265023.db2.gz MTWVMEJUTPUVOH-IBGZPJMESA-N 1 0 424.504 4.025 20 30 HIEDRO Cc1nc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)sc1SCC#N ZINC000482830769 898438544 /nfs/dbraw/zinc/43/85/44/898438544.db2.gz WKRZXXQGDDSZQC-UHFFFAOYSA-N 1 0 400.573 4.308 20 30 HIEDRO COc1cc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc(OC)c1OC ZINC000482876424 898490307 /nfs/dbraw/zinc/49/03/07/898490307.db2.gz OMEYYSBBFVIYBK-QAPCUYQASA-N 1 0 413.493 4.043 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000482879252 898494174 /nfs/dbraw/zinc/49/41/74/898494174.db2.gz XNONCNHVBSQUDF-YJBOKZPZSA-N 1 0 406.505 4.247 20 30 HIEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1C ZINC000482924561 898543477 /nfs/dbraw/zinc/54/34/77/898543477.db2.gz UNYRQMXGTYQASL-NRFANRHFSA-N 1 0 410.518 4.137 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000483356769 898993998 /nfs/dbraw/zinc/99/39/98/898993998.db2.gz KCWTYNIWAUCLKH-URXFXBBRSA-N 1 0 418.541 4.394 20 30 HIEDRO CS[C@@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000483392923 899027307 /nfs/dbraw/zinc/02/73/07/899027307.db2.gz IQLMMQVILZWKMF-XZOQPEGZSA-N 1 0 421.566 4.197 20 30 HIEDRO N#Cc1ccc(-c2nnc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)o2)cc1 ZINC000483507307 899168985 /nfs/dbraw/zinc/16/89/85/899168985.db2.gz XTFZFFRYGOVDNV-XZOQPEGZSA-N 1 0 413.525 4.095 20 30 HIEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC[C@H]21 ZINC000483567844 899223294 /nfs/dbraw/zinc/22/32/94/899223294.db2.gz ZIJICUPEFHNBLS-IFMALSPDSA-N 1 0 405.567 4.407 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[NH+](C3CCCCC3)CC2)cc1C ZINC000483874164 899553170 /nfs/dbraw/zinc/55/31/70/899553170.db2.gz UDKKROFNAPPJGT-UHFFFAOYSA-N 1 0 419.573 4.171 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)c2)cc1 ZINC000505692082 914382393 /nfs/dbraw/zinc/38/23/93/914382393.db2.gz OWNDWTDHRHZLGD-GOTSBHOMSA-N 1 0 404.514 4.080 20 30 HIEDRO CC(C)[C@](C)([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000484391403 899922331 /nfs/dbraw/zinc/92/23/31/899922331.db2.gz PNYVDQXQZDAHBN-NRFANRHFSA-N 1 0 414.347 4.098 20 30 HIEDRO CCCOc1ccc(O[C@H]2CCCC[C@@H]2[NH2+]CC(=O)Nc2sccc2C#N)cc1 ZINC000484635590 900084588 /nfs/dbraw/zinc/08/45/88/900084588.db2.gz IULSEQZYOQZCPM-PMACEKPBSA-N 1 0 413.543 4.327 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H]2CCCC[C@H]2n2cccn2)c1C#N ZINC000484645971 900091366 /nfs/dbraw/zinc/09/13/66/900091366.db2.gz WUNPSPUXPDGOHB-FCHUYYIVSA-N 1 0 422.577 4.390 20 30 HIEDRO CCc1c(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cnn1C(CC)CC ZINC000485169377 900467579 /nfs/dbraw/zinc/46/75/79/900467579.db2.gz WWTPNEKHTSPVJG-UHFFFAOYSA-N 1 0 410.566 4.274 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000485335664 900622009 /nfs/dbraw/zinc/62/20/09/900622009.db2.gz PEIFGSGUKKZMTB-QTGUNEKASA-N 1 0 420.557 4.082 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(-c3cccc(Cl)c3)c2CC)CC1 ZINC000485336555 900623510 /nfs/dbraw/zinc/62/35/10/900623510.db2.gz KOBFMEHGGVOBHG-UHFFFAOYSA-N 1 0 401.942 4.250 20 30 HIEDRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(OC2CCCC2)c1 ZINC000485570809 900839134 /nfs/dbraw/zinc/83/91/34/900839134.db2.gz CDJHBGVLEFXJEM-UHFFFAOYSA-N 1 0 421.541 4.092 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2coc(-c3ccc(Br)cc3F)n2)CC1 ZINC000485603923 900863478 /nfs/dbraw/zinc/86/34/78/900863478.db2.gz HWXHXMLXDYYAPH-UHFFFAOYSA-N 1 0 422.298 4.014 20 30 HIEDRO C=CC[N@@H+](CCCC(=O)Nc1c(C)cccc1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000485677443 900929647 /nfs/dbraw/zinc/92/96/47/900929647.db2.gz FDWZTKIKBSOEFE-FQEVSTJZSA-N 1 0 418.545 4.247 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)c(-c2ccccc2)n1 ZINC000505858530 914504547 /nfs/dbraw/zinc/50/45/47/914504547.db2.gz FWGCXIXTSZBAMR-UHFFFAOYSA-N 1 0 405.933 4.439 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000505871459 914519745 /nfs/dbraw/zinc/51/97/45/914519745.db2.gz KVBFBESNXFACMP-UHFFFAOYSA-N 1 0 405.542 4.046 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+](CCCO)Cc2ccccc2)sc2c1CCCCC2 ZINC000486792175 901857935 /nfs/dbraw/zinc/85/79/35/901857935.db2.gz RQXJPFHUIBBJOD-UHFFFAOYSA-N 1 0 411.571 4.102 20 30 HIEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cc(C#N)ccc2Cl)CC1 ZINC000505933269 914586200 /nfs/dbraw/zinc/58/62/00/914586200.db2.gz GQRDGYABZQZCOF-UHFFFAOYSA-N 1 0 403.313 4.259 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1C#N ZINC000487810607 902379056 /nfs/dbraw/zinc/37/90/56/902379056.db2.gz RZIXHJNVFVGPMO-QGZVFWFLSA-N 1 0 412.603 4.281 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1C#N ZINC000487810606 902379696 /nfs/dbraw/zinc/37/96/96/902379696.db2.gz RZIXHJNVFVGPMO-KRWDZBQOSA-N 1 0 412.603 4.281 20 30 HIEDRO C[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000487997346 902519763 /nfs/dbraw/zinc/51/97/63/902519763.db2.gz VXBHSOQHOWWXSK-FZKQIMNGSA-N 1 0 401.308 4.134 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(SCC(F)F)cc1 ZINC000488466937 902839891 /nfs/dbraw/zinc/83/98/91/902839891.db2.gz MPAMDOHBTXCAMW-FOIQADDNSA-N 1 0 415.509 4.367 20 30 HIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488496426 902854748 /nfs/dbraw/zinc/85/47/48/902854748.db2.gz KPOPSTTZUXITMT-HRAATJIYSA-N 1 0 416.550 4.442 20 30 HIEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000488650799 902919443 /nfs/dbraw/zinc/91/94/43/902919443.db2.gz CFNLLYQQNAFSIW-GOSISDBHSA-N 1 0 420.513 4.068 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489791008 903602274 /nfs/dbraw/zinc/60/22/74/903602274.db2.gz YHPLKXGCIAEJFS-SJORKVTESA-N 1 0 412.347 4.159 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490368675 903961321 /nfs/dbraw/zinc/96/13/21/903961321.db2.gz MSJIEJIGAOBFGU-RXVVDRJESA-N 1 0 406.530 4.378 20 30 HIEDRO COc1cccc(NC2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)c1 ZINC000491089190 904420578 /nfs/dbraw/zinc/42/05/78/904420578.db2.gz DRMKNLWUASOCTR-UHFFFAOYSA-N 1 0 401.514 4.044 20 30 HIEDRO C=C(C)COc1cc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)ccc1OC ZINC000506140944 914820578 /nfs/dbraw/zinc/82/05/78/914820578.db2.gz MANQXMXDBNZXMP-UHFFFAOYSA-N 1 0 410.514 4.206 20 30 HIEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)[C@@H]2C1 ZINC000492123064 904802865 /nfs/dbraw/zinc/80/28/65/904802865.db2.gz VBBDQWZBGYJCRK-GHTZIAJQSA-N 1 0 424.932 4.349 20 30 HIEDRO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]Cc2cccc(C#N)c2)C1=O ZINC000506206529 914844539 /nfs/dbraw/zinc/84/45/39/914844539.db2.gz VEMSIOXRTLILGY-LJQANCHMSA-N 1 0 412.331 4.223 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2)cc1 ZINC000493388211 905101417 /nfs/dbraw/zinc/10/14/17/905101417.db2.gz RHEPORJXGVCHFT-ZJSXRUAMSA-N 1 0 405.542 4.333 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2cccs2)C2Cc3ccccc3C2)CC1 ZINC000493806213 905223824 /nfs/dbraw/zinc/22/38/24/905223824.db2.gz FAKFXBDNKPPWOF-UHFFFAOYSA-N 1 0 409.599 4.468 20 30 HIEDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493915542 905267254 /nfs/dbraw/zinc/26/72/54/905267254.db2.gz DVPHKPCMLJDMJJ-VQIMIIECSA-N 1 0 423.822 4.014 20 30 HIEDRO C[C@@H]1[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000494016068 905354877 /nfs/dbraw/zinc/35/48/77/905354877.db2.gz HNEQHLRTCLVWSY-WZONZLPQSA-N 1 0 415.493 4.123 20 30 HIEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000494455054 905737087 /nfs/dbraw/zinc/73/70/87/905737087.db2.gz LPEBJQDBZUIVQF-AGHHOFFYSA-N 1 0 405.897 4.067 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000494471981 905752928 /nfs/dbraw/zinc/75/29/28/905752928.db2.gz GLVXWHQOTDISLN-BFTJIMHNSA-N 1 0 421.944 4.218 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(C#N)c1C ZINC000494475027 905755180 /nfs/dbraw/zinc/75/51/80/905755180.db2.gz LNZDWBNKCNHAOO-PDSMFRHLSA-N 1 0 405.857 4.007 20 30 HIEDRO Cc1ccc(C#N)c(N2CCC[C@@H](C(=O)Nc3cccc4c3C[N@H+](CC(C)C)C4)C2)n1 ZINC000494494555 905781177 /nfs/dbraw/zinc/78/11/77/905781177.db2.gz OLWCLIDCJNBIST-OAQYLSRUSA-N 1 0 417.557 4.088 20 30 HIEDRO C[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CCCCCC1 ZINC000494750228 905951612 /nfs/dbraw/zinc/95/16/12/905951612.db2.gz BNGYOZFFLWQZQT-IBGZPJMESA-N 1 0 412.578 4.011 20 30 HIEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000495259248 906346062 /nfs/dbraw/zinc/34/60/62/906346062.db2.gz KOUSUPLMFWEKQD-PKOBYXMFSA-N 1 0 410.331 4.073 20 30 HIEDRO C=CCOc1ccc(C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc1OC ZINC000512557776 921234971 /nfs/dbraw/zinc/23/49/71/921234971.db2.gz XSUPXHVCONWZQT-UHFFFAOYSA-N 1 0 404.514 4.425 20 30 HIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@H](O)COc1ccc(Br)cc1 ZINC000512557713 921235240 /nfs/dbraw/zinc/23/52/40/921235240.db2.gz WTPVLKOTJYFNSF-IBGZPJMESA-N 1 0 422.367 4.045 20 30 HIEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000495419241 906439343 /nfs/dbraw/zinc/43/93/43/906439343.db2.gz AHIGEDTXKYAXBX-HNNXBMFYSA-N 1 0 419.495 4.249 20 30 HIEDRO Cc1csc([C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)C2CC2)n1 ZINC000495450380 906457541 /nfs/dbraw/zinc/45/75/41/906457541.db2.gz OHNAOUUDFHYJIS-SFHVURJKSA-N 1 0 400.573 4.333 20 30 HIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)c1 ZINC000512583952 921249659 /nfs/dbraw/zinc/24/96/59/921249659.db2.gz VWYVEJQOGDGYCV-UHFFFAOYSA-N 1 0 419.916 4.452 20 30 HIEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccco1 ZINC000496247911 906638044 /nfs/dbraw/zinc/63/80/44/906638044.db2.gz UPRWULIPEQRBIO-VWEINGBSSA-N 1 0 424.545 4.270 20 30 HIEDRO N#C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000496274931 906646854 /nfs/dbraw/zinc/64/68/54/906646854.db2.gz ZXPOAPZMOIYTHB-UYAOXDASSA-N 1 0 412.331 4.042 20 30 HIEDRO COc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1OC(C)C ZINC000512604180 921257379 /nfs/dbraw/zinc/25/73/79/921257379.db2.gz GCNTUWNXHAALEN-UHFFFAOYSA-N 1 0 407.514 4.205 20 30 HIEDRO Cc1cc(Cl)ccc1Cc1cnc(NC(=O)N(CCC#N)CCC[NH+](C)C)s1 ZINC000496467787 906689490 /nfs/dbraw/zinc/68/94/90/906689490.db2.gz JUBVGOISCXJFFH-UHFFFAOYSA-N 1 0 419.982 4.395 20 30 HIEDRO Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)c1ccc(C#N)cc1F ZINC000512622978 921265630 /nfs/dbraw/zinc/26/56/30/921265630.db2.gz DBBWXGYEWTZXRH-CYBMUJFWSA-N 1 0 404.283 4.448 20 30 HIEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)cc1Cl ZINC000512627148 921266951 /nfs/dbraw/zinc/26/69/51/921266951.db2.gz AODOUVUIZOEARB-UHFFFAOYSA-N 1 0 400.906 4.461 20 30 HIEDRO COc1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1OC(C)C ZINC000512632901 921268646 /nfs/dbraw/zinc/26/86/46/921268646.db2.gz IVLOEICUODVDNE-UHFFFAOYSA-N 1 0 407.514 4.205 20 30 HIEDRO Cc1c(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)sc2nccc(C)c12 ZINC000497508686 906999496 /nfs/dbraw/zinc/99/94/96/906999496.db2.gz ROZKLSIDUVGECY-UHFFFAOYSA-N 1 0 404.539 4.133 20 30 HIEDRO CC[N@H+](CCN1c2cccc3cccc(c23)S1(=O)=O)[C@@H](C)c1ccc(C#N)cc1 ZINC000497617689 907097450 /nfs/dbraw/zinc/09/74/50/907097450.db2.gz IKTUMRAEPLDWJX-KRWDZBQOSA-N 1 0 405.523 4.303 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(c3cccc(OC)c3)CC2)cc1 ZINC000498694679 908123475 /nfs/dbraw/zinc/12/34/75/908123475.db2.gz MHUZSXACSYMBRT-UHFFFAOYSA-N 1 0 421.541 4.220 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498715743 908141611 /nfs/dbraw/zinc/14/16/11/908141611.db2.gz OJEUCRFJMQBDCS-KNQAVFIVSA-N 1 0 422.529 4.203 20 30 HIEDRO Cc1ccc(C(C)C)c(Oc2ccc(C[NH2+]CCn3cnc(C#N)n3)cc2[N+](=O)[O-])c1 ZINC000512898459 921391611 /nfs/dbraw/zinc/39/16/11/921391611.db2.gz CODKBPAKLXXTCX-UHFFFAOYSA-N 1 0 420.473 4.072 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000498907651 908316671 /nfs/dbraw/zinc/31/66/71/908316671.db2.gz OGWQTDXTXKSOJR-UHFFFAOYSA-N 1 0 403.615 4.310 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Br)ccc1Cl ZINC000499051306 908423930 /nfs/dbraw/zinc/42/39/30/908423930.db2.gz CVEQSSPHIOIKCO-UHFFFAOYSA-N 1 0 420.738 4.178 20 30 HIEDRO N#C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000499403549 908767991 /nfs/dbraw/zinc/76/79/91/908767991.db2.gz FECSACWOSZRVBV-FQEVSTJZSA-N 1 0 412.331 4.042 20 30 HIEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000499598280 908852044 /nfs/dbraw/zinc/85/20/44/908852044.db2.gz GQJOSVLZOWZMDU-NRFANRHFSA-N 1 0 420.395 4.228 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc(CCc2ccccc2)n1 ZINC000499910845 909026421 /nfs/dbraw/zinc/02/64/21/909026421.db2.gz CTWPJKCOKCJZOG-UHFFFAOYSA-N 1 0 418.566 4.004 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)cc1C#N ZINC000500078485 909550251 /nfs/dbraw/zinc/55/02/51/909550251.db2.gz DBFUNSUTBLCJKY-UHFFFAOYSA-N 1 0 407.518 4.121 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2nc(C)oc2C)cc1OCC ZINC000500242244 909730798 /nfs/dbraw/zinc/73/07/98/909730798.db2.gz OGPJRBUZCNEWRZ-UHFFFAOYSA-N 1 0 409.324 4.350 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000513107907 921556066 /nfs/dbraw/zinc/55/60/66/921556066.db2.gz JDKRJQROSXGYLC-ROUUACIJSA-N 1 0 424.524 4.001 20 30 HIEDRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Br)cc1 ZINC000513134013 921576300 /nfs/dbraw/zinc/57/63/00/921576300.db2.gz RMSUWGXHNHYYRT-LJQANCHMSA-N 1 0 405.267 4.028 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501377158 910505879 /nfs/dbraw/zinc/50/58/79/910505879.db2.gz QMJUQNRKAFOUEJ-XUZZJYLKSA-N 1 0 423.605 4.462 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(c2ccnn2CCC)CC1 ZINC000501576637 910684582 /nfs/dbraw/zinc/68/45/82/910684582.db2.gz UUHQYXAUFYGAEP-SFHVURJKSA-N 1 0 400.592 4.137 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(C)onc2-c2cccc(Br)c2)CC1 ZINC000502020903 910980916 /nfs/dbraw/zinc/98/09/16/910980916.db2.gz FRTIUDYSTFRQEN-UHFFFAOYSA-N 1 0 418.335 4.183 20 30 HIEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000502318562 911291911 /nfs/dbraw/zinc/29/19/11/911291911.db2.gz DUGMRFZQYDCSBF-YADARESESA-N 1 0 400.526 4.192 20 30 HIEDRO C[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000513253727 921658745 /nfs/dbraw/zinc/65/87/45/921658745.db2.gz CXEIZHGIRFTYOF-HXUWFJFHSA-N 1 0 413.521 4.388 20 30 HIEDRO N#Cc1ccc(C2=CCN(Cc3nnc(-c4ccc(Br)o4)o3)CC2)cc1 ZINC000502504606 911508623 /nfs/dbraw/zinc/50/86/23/911508623.db2.gz AUDATHBJXOQUDE-UHFFFAOYSA-N 1 0 411.259 4.253 20 30 HIEDRO C[NH+](C)[C@H]1Cc2ccccc2N(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000513284266 921683169 /nfs/dbraw/zinc/68/31/69/921683169.db2.gz LLBYTDPPTRVKQG-QHCPKHFHSA-N 1 0 411.505 4.270 20 30 HIEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCSCc1ccccc1C#N)c1ccccc1 ZINC000502831325 911844395 /nfs/dbraw/zinc/84/43/95/911844395.db2.gz NKLHSHMTFYELQG-GOSISDBHSA-N 1 0 410.587 4.220 20 30 HIEDRO CC1CC[NH+](C2CCC(NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)CC2)CC1 ZINC000502835222 911848253 /nfs/dbraw/zinc/84/82/53/911848253.db2.gz ZEYWSSHOSNNPSE-UHFFFAOYSA-N 1 0 424.589 4.154 20 30 HIEDRO CCC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502967985 911949894 /nfs/dbraw/zinc/94/98/94/911949894.db2.gz FYYMTTHYEFMBEX-QGZVFWFLSA-N 1 0 403.486 4.238 20 30 HIEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3cccc(OCc4ccccn4)c3)CC2)cc1 ZINC000506280961 914880799 /nfs/dbraw/zinc/88/07/99/914880799.db2.gz LXORLRSSLGAHNJ-UHFFFAOYSA-N 1 0 412.537 4.240 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000506477452 915081129 /nfs/dbraw/zinc/08/11/29/915081129.db2.gz BEBUMAHQDXIQSA-PKTZIBPZSA-N 1 0 410.606 4.137 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487171 915093599 /nfs/dbraw/zinc/09/35/99/915093599.db2.gz NSPWCCLZYXOKBH-QZTJIDSGSA-N 1 0 414.619 4.023 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CCCN(C(=O)CC3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000506499203 915114320 /nfs/dbraw/zinc/11/43/20/915114320.db2.gz JZPAFUMUOZNCRJ-UHFFFAOYSA-N 1 0 419.573 4.078 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000507222868 915977110 /nfs/dbraw/zinc/97/71/10/915977110.db2.gz XDERNKOAIGWCMO-HXUWFJFHSA-N 1 0 419.550 4.102 20 30 HIEDRO COC[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(C(F)(F)F)c1 ZINC000507450379 916219970 /nfs/dbraw/zinc/21/99/70/916219970.db2.gz PWMCKONGBPPZIY-WOJBJXKFSA-N 1 0 417.431 4.050 20 30 HIEDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cnn1-c1ccc(F)cc1 ZINC000507472759 916243140 /nfs/dbraw/zinc/24/31/40/916243140.db2.gz FUHGACCFFHJLJN-WAIKUNEKSA-N 1 0 417.488 4.038 20 30 HIEDRO CC1CC[NH+]([C@@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c2ccccc2)CC1 ZINC000507503847 916271176 /nfs/dbraw/zinc/27/11/76/916271176.db2.gz HZXALVVASAVCQY-QHCPKHFHSA-N 1 0 405.517 4.318 20 30 HIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000507623072 916380755 /nfs/dbraw/zinc/38/07/55/916380755.db2.gz WXQUSCJYRUOIEY-ZNHZFFOWSA-N 1 0 417.553 4.399 20 30 HIEDRO C[C@H]1CN(Cc2cccc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)c2)CCO1 ZINC000507622553 916381118 /nfs/dbraw/zinc/38/11/18/916381118.db2.gz UDZSWRFFNWRZHD-PMWKKSSLSA-N 1 0 403.570 4.401 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cccc(OCc4ccccn4)c3)CC2)nc1 ZINC000507766314 916550836 /nfs/dbraw/zinc/55/08/36/916550836.db2.gz LJDMNOCSDHVJDL-UHFFFAOYSA-N 1 0 414.509 4.407 20 30 HIEDRO COc1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc(Cl)c1OC ZINC000507768775 916555695 /nfs/dbraw/zinc/55/56/95/916555695.db2.gz UADVPLMFLYSIND-UHFFFAOYSA-N 1 0 401.894 4.104 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3csc(COc4ccccc4)n3)CC2)nc1 ZINC000507768824 916556071 /nfs/dbraw/zinc/55/60/71/916556071.db2.gz UGHTVZHOZFCFMO-UHFFFAOYSA-N 1 0 420.538 4.469 20 30 HIEDRO CC1(C(=O)NCCCCC[NH+]2CCCC2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000508107573 916922477 /nfs/dbraw/zinc/92/24/77/916922477.db2.gz XQYABFABANYVIS-UHFFFAOYSA-N 1 0 416.997 4.200 20 30 HIEDRO CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 ZINC000508175831 916996045 /nfs/dbraw/zinc/99/60/45/916996045.db2.gz NQHUSDIBXNAWCJ-UHFFFAOYSA-N 1 0 420.557 4.153 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000508249968 917068077 /nfs/dbraw/zinc/06/80/77/917068077.db2.gz LSHSXGCVOHUJBH-UHFFFAOYSA-N 1 0 420.513 4.451 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000508269554 917086718 /nfs/dbraw/zinc/08/67/18/917086718.db2.gz UKWFTILDNJEFMV-UHFFFAOYSA-N 1 0 406.486 4.107 20 30 HIEDRO COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000508337791 917141266 /nfs/dbraw/zinc/14/12/66/917141266.db2.gz HJAIOXCROUEIEX-OAHLLOKOSA-N 1 0 417.962 4.460 20 30 HIEDRO C=CCn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508460952 917244711 /nfs/dbraw/zinc/24/47/11/917244711.db2.gz HEAAMGHHNOEJAQ-FQEVSTJZSA-N 1 0 411.619 4.377 20 30 HIEDRO C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508480497 917265213 /nfs/dbraw/zinc/26/52/13/917265213.db2.gz HONLRWQIYVXCGT-INIZCTEOSA-N 1 0 407.484 4.318 20 30 HIEDRO C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000508498164 917282596 /nfs/dbraw/zinc/28/25/96/917282596.db2.gz PXEKFQVTSABCIL-CQSZACIVSA-N 1 0 422.396 4.020 20 30 HIEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508502973 917288573 /nfs/dbraw/zinc/28/85/73/917288573.db2.gz DEXLICBEPZBQQX-REWPJTCUSA-N 1 0 421.589 4.113 20 30 HIEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508505701 917291934 /nfs/dbraw/zinc/29/19/34/917291934.db2.gz OAXXZDNBQHHOLG-PMACEKPBSA-N 1 0 409.578 4.231 20 30 HIEDRO C=CCn1c(-c2ccccn2)nnc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000508731194 917491636 /nfs/dbraw/zinc/49/16/36/917491636.db2.gz VCRAHBFUTLRXSB-UHFFFAOYSA-N 1 0 410.525 4.002 20 30 HIEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508730271 917491934 /nfs/dbraw/zinc/49/19/34/917491934.db2.gz OCMUSCITJVVVMD-WMZHIEFXSA-N 1 0 414.557 4.132 20 30 HIEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000508801669 917557094 /nfs/dbraw/zinc/55/70/94/917557094.db2.gz MPQHQPQGSDMOGS-QFIPXVFZSA-N 1 0 423.605 4.034 20 30 HIEDRO C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508841069 917592685 /nfs/dbraw/zinc/59/26/85/917592685.db2.gz OLJABZQOFCPIPR-INIZCTEOSA-N 1 0 407.484 4.318 20 30 HIEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000508879565 917632050 /nfs/dbraw/zinc/63/20/50/917632050.db2.gz GMDUAFPBGRIGKO-OAQYLSRUSA-N 1 0 404.562 4.095 20 30 HIEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000508889092 917644194 /nfs/dbraw/zinc/64/41/94/917644194.db2.gz DEJUJNBVWBODEN-DVECYGJZSA-N 1 0 402.542 4.357 20 30 HIEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000508919507 917677505 /nfs/dbraw/zinc/67/75/05/917677505.db2.gz QVXKWEADMYCXOE-QFIPXVFZSA-N 1 0 423.605 4.300 20 30 HIEDRO CC(=O)c1ccc(-c2ccc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)o2)cc1 ZINC000508950283 917707092 /nfs/dbraw/zinc/70/70/92/917707092.db2.gz LUEXAHLHDQDMDH-UHFFFAOYSA-N 1 0 415.493 4.225 20 30 HIEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508951708 917708744 /nfs/dbraw/zinc/70/87/44/917708744.db2.gz NLDHBUVDJVSAAR-SFHVURJKSA-N 1 0 415.969 4.009 20 30 HIEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000508992553 917745023 /nfs/dbraw/zinc/74/50/23/917745023.db2.gz CUFSREJYWSTIIW-UHFFFAOYSA-N 1 0 407.583 4.405 20 30 HIEDRO C[C@@H](OC[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000509062487 917810028 /nfs/dbraw/zinc/81/00/28/917810028.db2.gz GXCWHTLFWAQJRY-DYESRHJHSA-N 1 0 414.933 4.194 20 30 HIEDRO Cn1cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(-c2ccccc2Cl)n1 ZINC000509096775 917837199 /nfs/dbraw/zinc/83/71/99/917837199.db2.gz PVANFRNRRIVPGY-UHFFFAOYSA-N 1 0 405.933 4.324 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3C[C@@H](C)[N@H+](C)C[C@@H]3C)sc2C1 ZINC000509462987 918112505 /nfs/dbraw/zinc/11/25/05/918112505.db2.gz JPBWTWKZAIEUHI-IXDOHACOSA-N 1 0 416.635 4.124 20 30 HIEDRO C[C@@H]([NH2+]C1CCC(NC(=O)COc2ccc(Cl)cc2)CC1)c1ccc(C#N)cc1 ZINC000509798901 918404869 /nfs/dbraw/zinc/40/48/69/918404869.db2.gz NICBIKSUIHEPLT-YMTQGWHGSA-N 1 0 411.933 4.369 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)NCCC[NH+]3CCCCC3)c2)cc1 ZINC000509899358 918500227 /nfs/dbraw/zinc/50/02/27/918500227.db2.gz ONMLUHHEVOBMJA-UHFFFAOYSA-N 1 0 406.530 4.329 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)NC3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000509915283 918515431 /nfs/dbraw/zinc/51/54/31/918515431.db2.gz WJHDOJZHLCSZGX-UHFFFAOYSA-N 1 0 418.541 4.328 20 30 HIEDRO C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510787646 919255933 /nfs/dbraw/zinc/25/59/33/919255933.db2.gz MFKKFDXQTRMFLG-MJGOQNOKSA-N 1 0 407.514 4.113 20 30 HIEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000510934547 919456545 /nfs/dbraw/zinc/45/65/45/919456545.db2.gz FYQFHGHQOFIKIQ-MSOLQXFVSA-N 1 0 419.529 4.052 20 30 HIEDRO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000511048341 919637738 /nfs/dbraw/zinc/63/77/38/919637738.db2.gz OLYZJYTXASCETC-KKSFZXQISA-N 1 0 415.459 4.289 20 30 HIEDRO Cc1oc(NC(=O)C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)c(C#N)c1C ZINC000511614037 920266865 /nfs/dbraw/zinc/26/68/65/920266865.db2.gz ZDJKGRNFBCCKCI-SFHVURJKSA-N 1 0 407.392 4.346 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCCN(c3nccs3)CC2)c1 ZINC000511738412 920410412 /nfs/dbraw/zinc/41/04/12/920410412.db2.gz BHSCKNNJYTWMBN-UHFFFAOYSA-N 1 0 404.539 4.306 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1Cl ZINC000511781456 920473297 /nfs/dbraw/zinc/47/32/97/920473297.db2.gz NZUFHPMXQPTYCC-URVUXULASA-N 1 0 409.917 4.045 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)cc1 ZINC000511822483 920519496 /nfs/dbraw/zinc/51/94/96/920519496.db2.gz LUKOLZQZVLWNFN-UHFFFAOYSA-N 1 0 413.521 4.487 20 30 HIEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000511828130 920528094 /nfs/dbraw/zinc/52/80/94/920528094.db2.gz XGLBSWNDHHMDAG-VQTJNVASSA-N 1 0 401.432 4.119 20 30 HIEDRO C=CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511841358 920553949 /nfs/dbraw/zinc/55/39/49/920553949.db2.gz CHGQZXUKCRNHNC-GOSISDBHSA-N 1 0 404.432 4.275 20 30 HIEDRO C=CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000511841360 920554034 /nfs/dbraw/zinc/55/40/34/920554034.db2.gz CHGQZXUKCRNHNC-SFHVURJKSA-N 1 0 404.432 4.275 20 30 HIEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000511873907 920604973 /nfs/dbraw/zinc/60/49/73/920604973.db2.gz CTXAOYADMPPUKT-UXHICEINSA-N 1 0 422.472 4.277 20 30 HIEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000511906977 920646782 /nfs/dbraw/zinc/64/67/82/920646782.db2.gz ALORVSQHMKNQGH-NRFANRHFSA-N 1 0 406.530 4.328 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000512151965 920893740 /nfs/dbraw/zinc/89/37/40/920893740.db2.gz JPHBLPLSZUFPFD-WZONZLPQSA-N 1 0 422.573 4.425 20 30 HIEDRO CC1CC[NH+](C[C@H]2CCCN(Cc3cn(CCC#N)nc3-c3ccccc3)C2)CC1 ZINC000512177123 920915047 /nfs/dbraw/zinc/91/50/47/920915047.db2.gz FIXFHENDKLNHQC-JOCHJYFZSA-N 1 0 405.590 4.408 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2=O)cc1 ZINC000512218113 920967482 /nfs/dbraw/zinc/96/74/82/920967482.db2.gz KMJSIFDUMIFRQN-LJQANCHMSA-N 1 0 406.404 4.045 20 30 HIEDRO C=C(C)COc1cc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)ccc1OC ZINC000512298859 921055514 /nfs/dbraw/zinc/05/55/14/921055514.db2.gz JJILUIPYXRMYJJ-UHFFFAOYSA-N 1 0 420.553 4.451 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)c(-c2ccccc2)n1 ZINC000512354708 921100232 /nfs/dbraw/zinc/10/02/32/921100232.db2.gz JBGZXOSCUSNLGS-UHFFFAOYSA-N 1 0 419.573 4.125 20 30 HIEDRO C[NH+](C)CCOc1cccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)c1 ZINC000513492874 921843861 /nfs/dbraw/zinc/84/38/61/921843861.db2.gz OXTOLMGDNWNEEW-UHFFFAOYSA-N 1 0 415.493 4.330 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CC[C@H]([NH+]3CCCCC3)C2)cc1OC ZINC000513733804 922054340 /nfs/dbraw/zinc/05/43/40/922054340.db2.gz WTDXLTHMYQPYNX-KRWDZBQOSA-N 1 0 409.368 4.083 20 30 HIEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C(c1ccccc1)c1ccccc1 ZINC000513784355 922110416 /nfs/dbraw/zinc/11/04/16/922110416.db2.gz PSMWBRUZXDLFRK-LJQANCHMSA-N 1 0 404.535 4.142 20 30 HIEDRO Cc1nc(-c2ccc([C@H](C)[NH2+]CCS(=O)(=O)c3cccc(C#N)c3)cc2)cs1 ZINC000513788318 922114954 /nfs/dbraw/zinc/11/49/54/922114954.db2.gz OYPOJHZVTKWIBP-HNNXBMFYSA-N 1 0 411.552 4.115 20 30 HIEDRO CC(C)(C)CC[NH+]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000515767526 923337149 /nfs/dbraw/zinc/33/71/49/923337149.db2.gz MESKKDOXLTWFGF-UHFFFAOYSA-N 1 0 411.575 4.191 20 30 HIEDRO C[NH+]1CCN(Cc2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)cc2)CC1 ZINC000515813881 923367742 /nfs/dbraw/zinc/36/77/42/923367742.db2.gz DLEBOUWESUVWNA-UHFFFAOYSA-N 1 0 410.521 4.225 20 30 HIEDRO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CCN(C(=O)c2ccccc2)CC1 ZINC000516775984 923883761 /nfs/dbraw/zinc/88/37/61/923883761.db2.gz LWCNVQPQPYNDEA-UHFFFAOYSA-N 1 0 401.432 4.314 20 30 HIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1 ZINC000517581183 926693618 /nfs/dbraw/zinc/69/36/18/926693618.db2.gz GZDJPHNGFCWKMP-QFIPXVFZSA-N 1 0 422.548 4.328 20 30 HIEDRO N#Cc1cccc(OCCCCC(=O)NCc2ccccc2C[NH+]2CCCCC2)c1 ZINC000517654586 926761862 /nfs/dbraw/zinc/76/18/62/926761862.db2.gz ZBQFENAOUIDIJI-UHFFFAOYSA-N 1 0 405.542 4.410 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000517761651 926825245 /nfs/dbraw/zinc/82/52/45/926825245.db2.gz NCWOKEYCDFGBRK-SLFFLAALSA-N 1 0 403.615 4.083 20 30 HIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000517974252 926919560 /nfs/dbraw/zinc/91/95/60/926919560.db2.gz QQJXNSJSBKFBAH-UHFFFAOYSA-N 1 0 420.557 4.153 20 30 HIEDRO C=CCn1c(-c2ccccn2)nnc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000518011952 926952015 /nfs/dbraw/zinc/95/20/15/926952015.db2.gz SPDNKLPEYPFAMP-VWLOTQADSA-N 1 0 414.557 4.019 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)c2ccc(OCC(C)C)cc2)CC1 ZINC000518023406 926964171 /nfs/dbraw/zinc/96/41/71/926964171.db2.gz OWLNVVPYXIROLC-UHFFFAOYSA-N 1 0 401.595 4.339 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(COc3cccc(F)c3)ccc2OC)CC1 ZINC000518054320 926991228 /nfs/dbraw/zinc/99/12/28/926991228.db2.gz DNRYFBKWCAQPGX-UHFFFAOYSA-N 1 0 413.493 4.185 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CC1 ZINC000518055031 926992622 /nfs/dbraw/zinc/99/26/22/926992622.db2.gz IGWQQHPIPJDCEP-UHFFFAOYSA-N 1 0 406.486 4.131 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@@H](CN2CCOCC2)c2ccc(C)cc2)ccc1OC ZINC000518271875 927131708 /nfs/dbraw/zinc/13/17/08/927131708.db2.gz MTRPAPJKFNCUFD-QHCPKHFHSA-N 1 0 410.558 4.122 20 30 HIEDRO COc1cc(C#N)ccc1OCC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000518328523 927193615 /nfs/dbraw/zinc/19/36/15/927193615.db2.gz HTAPVIVALDXTPY-UHFFFAOYSA-N 1 0 421.541 4.027 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(COCc3ccccc3)c2)CC1 ZINC000518509001 927316063 /nfs/dbraw/zinc/31/60/63/927316063.db2.gz KHCGWZZPZKJQPK-UHFFFAOYSA-N 1 0 407.558 4.243 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2C)CC1 ZINC000518514822 927319484 /nfs/dbraw/zinc/31/94/84/927319484.db2.gz AILJZKHIFFQBHP-UHFFFAOYSA-N 1 0 406.530 4.409 20 30 HIEDRO Cc1ccc([C@@H](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[NH+](C)C)cc1 ZINC000518919412 927627265 /nfs/dbraw/zinc/62/72/65/927627265.db2.gz VKNWQPYIPGHHSG-JOCHJYFZSA-N 1 0 400.482 4.087 20 30 HIEDRO CC(C)[C@@H](CNC(=O)CCCCOc1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000518921242 927627584 /nfs/dbraw/zinc/62/75/84/927627584.db2.gz OHHLUTOTUXVTKB-RUZDIDTESA-N 1 0 419.569 4.306 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc(F)ccc3Br)CC2)cc1 ZINC000519160515 927807200 /nfs/dbraw/zinc/80/72/00/927807200.db2.gz MCZPYWKXWAPQJZ-UHFFFAOYSA-N 1 0 402.311 4.168 20 30 HIEDRO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000519201492 927824056 /nfs/dbraw/zinc/82/40/56/927824056.db2.gz OHFJMSWKNYCTJU-FQEVSTJZSA-N 1 0 405.542 4.227 20 30 HIEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000519499980 927993855 /nfs/dbraw/zinc/99/38/55/927993855.db2.gz INJUACMLXWMZAK-QHCPKHFHSA-N 1 0 407.558 4.272 20 30 HIEDRO C[C@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[NH+]1CCC(C)CC1 ZINC000520054230 928279720 /nfs/dbraw/zinc/27/97/20/928279720.db2.gz YHRZDNKRGCHVTI-GOSISDBHSA-N 1 0 419.529 4.052 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000520149537 928342676 /nfs/dbraw/zinc/34/26/76/928342676.db2.gz JAHHSPDMBQHJLR-HSZRJFAPSA-N 1 0 403.526 4.104 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(OCc3ccc(F)cc3)cc2)CC1 ZINC000520710474 928759340 /nfs/dbraw/zinc/75/93/40/928759340.db2.gz VCSSYZJGTOIEJS-GOSISDBHSA-N 1 0 411.521 4.415 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)cc1 ZINC000520785374 928817031 /nfs/dbraw/zinc/81/70/31/928817031.db2.gz OATZXDUWWLKINE-QFIPXVFZSA-N 1 0 409.505 4.178 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)c2)cc1 ZINC000520786908 928818355 /nfs/dbraw/zinc/81/83/55/928818355.db2.gz NMGISOZOIJFXPL-HSZRJFAPSA-N 1 0 418.541 4.424 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000521064110 928969564 /nfs/dbraw/zinc/96/95/64/928969564.db2.gz ZBEXWASRPWCKHB-UHFFFAOYSA-N 1 0 400.473 4.362 20 30 HIEDRO CC[NH+]1CCN(c2ccc(NC(=O)CCCCOc3cccc(C#N)c3)c(C)c2)CC1 ZINC000521090522 928986145 /nfs/dbraw/zinc/98/61/45/928986145.db2.gz MGEXSOGOLXNFET-UHFFFAOYSA-N 1 0 420.557 4.196 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)NCc2ccc(-c3ccc4c(c3)CCCO4)cc2)CC1 ZINC000521238110 929072747 /nfs/dbraw/zinc/07/27/47/929072747.db2.gz PUVGEZSEVSQSFZ-UHFFFAOYSA-N 1 0 405.542 4.128 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000521239386 929074417 /nfs/dbraw/zinc/07/44/17/929074417.db2.gz JBPAURONRQXSJR-UHFFFAOYSA-N 1 0 409.578 4.081 20 30 HIEDRO N#Cc1ccc(N2CC[C@@H](C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)C2)c(F)c1 ZINC000521287852 929102716 /nfs/dbraw/zinc/10/27/16/929102716.db2.gz CIXOQGZOEFZKRU-HXUWFJFHSA-N 1 0 406.505 4.148 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2ccc(OC(F)F)c(OC)c2)C2CC2)CC1 ZINC000521586307 929312782 /nfs/dbraw/zinc/31/27/82/929312782.db2.gz QRBZMKMCAPKLDP-UHFFFAOYSA-N 1 0 423.504 4.011 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccnc(Oc3ccc(OCC)cc3)c2)CC1 ZINC000521585896 929313083 /nfs/dbraw/zinc/31/30/83/929313083.db2.gz GRBRKZBFRGSUPQ-UHFFFAOYSA-N 1 0 424.545 4.112 20 30 HIEDRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CC1 ZINC000521699570 929374742 /nfs/dbraw/zinc/37/47/42/929374742.db2.gz WKSMCSWCNBKYMI-UHFFFAOYSA-N 1 0 422.529 4.361 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)c1C#N ZINC000522005943 929617028 /nfs/dbraw/zinc/61/70/28/929617028.db2.gz JCHKVAYWCMVSLM-UHFFFAOYSA-N 1 0 408.571 4.323 20 30 HIEDRO C[C@H](OC[C@H](O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000524666527 929782040 /nfs/dbraw/zinc/78/20/40/929782040.db2.gz CAVKGYRACXAXTE-LAUBAEHRSA-N 1 0 414.933 4.194 20 30 HIEDRO N#Cc1ccc(CN2CCC[N@@H+](CCc3nc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC000524894175 929876661 /nfs/dbraw/zinc/87/66/61/929876661.db2.gz COUDJTRBHNXQTM-UHFFFAOYSA-N 1 0 421.932 4.012 20 30 HIEDRO COc1cc(C#N)ccc1OCC[N@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000525423282 930233214 /nfs/dbraw/zinc/23/32/14/930233214.db2.gz LWHQNDXJXUQXHR-UHFFFAOYSA-N 1 0 408.477 4.039 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cc2ccccc2s1 ZINC000527484728 930666512 /nfs/dbraw/zinc/66/65/12/930666512.db2.gz SRUDHFRJTUEFQA-HNNXBMFYSA-N 1 0 401.495 4.248 20 30 HIEDRO C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[C@H]1c1ccccc1 ZINC000530515690 930734068 /nfs/dbraw/zinc/73/40/68/930734068.db2.gz KFBHIPIITCUYOM-IEBWSBKVSA-N 1 0 418.419 4.066 20 30 HIEDRO N#Cc1cccc(CC(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000530676662 930795611 /nfs/dbraw/zinc/79/56/11/930795611.db2.gz QGXBSYLWRWDZDS-OAQYLSRUSA-N 1 0 415.459 4.014 20 30 HIEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C#N)c2c(Cl)cccc2Cl)CC1 ZINC000530965962 930870349 /nfs/dbraw/zinc/87/03/49/930870349.db2.gz GABYOKAKJBACKE-QGZVFWFLSA-N 1 0 403.313 4.294 20 30 HIEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000530966849 930871077 /nfs/dbraw/zinc/87/10/77/930871077.db2.gz DXIHVBLVKYKWOV-UHFFFAOYSA-N 1 0 415.459 4.021 20 30 HIEDRO CCOc1ccc([C@H](C)NC(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000531897854 931238973 /nfs/dbraw/zinc/23/89/73/931238973.db2.gz NIBNOLYRTFDELZ-SFHVURJKSA-N 1 0 409.530 4.053 20 30 HIEDRO CC(C)(C#N)CCC[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000532412751 931426481 /nfs/dbraw/zinc/42/64/81/931426481.db2.gz MPGNZYHSWOHWJU-HXUWFJFHSA-N 1 0 406.498 4.377 20 30 HIEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CCCOc1ccc(F)cc1 ZINC000532490407 931458875 /nfs/dbraw/zinc/45/88/75/931458875.db2.gz WIWIEDOMGQTIBI-QGZVFWFLSA-N 1 0 401.457 4.001 20 30 HIEDRO N#Cc1cccc(OC2CC[NH+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000532607026 931553225 /nfs/dbraw/zinc/55/32/25/931553225.db2.gz IURJVYNTWNMZHJ-IBGZPJMESA-N 1 0 404.432 4.024 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000532701370 931595184 /nfs/dbraw/zinc/59/51/84/931595184.db2.gz SXFLYZMEZHMCRE-GSPCLOLRSA-N 1 0 410.606 4.276 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000532938710 931704510 /nfs/dbraw/zinc/70/45/10/931704510.db2.gz BXSWTCQAZQXXNE-SFTDATJTSA-N 1 0 403.636 4.095 20 30 HIEDRO CCC[N@H+](CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000532970308 931720164 /nfs/dbraw/zinc/72/01/64/931720164.db2.gz GRIDPWUTTIWQDK-XQTRSNPVSA-N 1 0 415.603 4.402 20 30 HIEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000533382521 931853984 /nfs/dbraw/zinc/85/39/84/931853984.db2.gz RZDPCSSVEGZXHZ-KRWDZBQOSA-N 1 0 419.504 4.217 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](c1ccccc1)C1CCCC1 ZINC000533386167 931854449 /nfs/dbraw/zinc/85/44/49/931854449.db2.gz DTUXWWBYROBZSR-XMMPIXPASA-N 1 0 422.573 4.473 20 30 HIEDRO CC[N@H+](CCc1cccs1)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000533397681 931858026 /nfs/dbraw/zinc/85/80/26/931858026.db2.gz BFIDEXLWXQJXNN-UHFFFAOYSA-N 1 0 410.543 4.183 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000533408914 931860967 /nfs/dbraw/zinc/86/09/67/931860967.db2.gz MEJSNWGGQADHOA-QZTJIDSGSA-N 1 0 414.619 4.023 20 30 HIEDRO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000533432126 931866940 /nfs/dbraw/zinc/86/69/40/931866940.db2.gz WATJMBPVKCNSQK-HBGVWJBISA-N 1 0 415.603 4.353 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000533866732 932070914 /nfs/dbraw/zinc/07/09/14/932070914.db2.gz JSEUOCPLVOFICF-GOSISDBHSA-N 1 0 406.555 4.418 20 30 HIEDRO N#Cc1ccc(SCC(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000534220145 932339807 /nfs/dbraw/zinc/33/98/07/932339807.db2.gz ZJUVZZGFROKDGF-UHFFFAOYSA-N 1 0 405.567 4.165 20 30 HIEDRO C[N@@H+]1CC[C@@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534245225 932362545 /nfs/dbraw/zinc/36/25/45/932362545.db2.gz BUIBZOIGOMTEGT-LAUBAEHRSA-N 1 0 411.908 4.192 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CC[C@H]([NH+]3CCCC3)C2)cc1OCC ZINC000534347944 932388570 /nfs/dbraw/zinc/38/85/70/932388570.db2.gz MVZLYSAPSZTVRF-KRWDZBQOSA-N 1 0 409.368 4.083 20 30 HIEDRO OCc1ccc(C[NH2+]Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)cc1F ZINC000535242023 933033328 /nfs/dbraw/zinc/03/33/28/933033328.db2.gz OKICUDWEHPIGFZ-MRXNPFEDSA-N 1 0 411.317 4.480 20 30 HIEDRO OCc1ccc(C[NH2+]Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)cc1F ZINC000535242022 933033461 /nfs/dbraw/zinc/03/34/61/933033461.db2.gz OKICUDWEHPIGFZ-INIZCTEOSA-N 1 0 411.317 4.480 20 30 HIEDRO Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)N(CCC#N)CCC[NH+](C)C)c(C)c1 ZINC000535610784 933266803 /nfs/dbraw/zinc/26/68/03/933266803.db2.gz XVUGMADEVWULKD-UHFFFAOYSA-N 1 0 424.593 4.486 20 30 HIEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000535805898 933401135 /nfs/dbraw/zinc/40/11/35/933401135.db2.gz ZBFVICVPBUFAMB-UHFFFAOYSA-N 1 0 420.557 4.121 20 30 HIEDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C2)CC1 ZINC000535901628 933479608 /nfs/dbraw/zinc/47/96/08/933479608.db2.gz XOUXYAYZDGCMRG-IBGZPJMESA-N 1 0 407.489 4.294 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]CCCNc3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000537294584 933701168 /nfs/dbraw/zinc/70/11/68/933701168.db2.gz CRTISVDUJGDADV-UHFFFAOYSA-N 1 0 417.479 4.028 20 30 HIEDRO CCCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)cc1OC ZINC000538153667 938525771 /nfs/dbraw/zinc/52/57/71/938525771.db2.gz ZPZNMEZSNHYCDY-CQSZACIVSA-N 1 0 401.532 4.323 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)c(C#N)c1C ZINC000538155812 938526427 /nfs/dbraw/zinc/52/64/27/938526427.db2.gz PZBKRUZLLPNLRE-IRXDYDNUSA-N 1 0 418.497 4.420 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)OC(C)(C)C ZINC000538156752 938527317 /nfs/dbraw/zinc/52/73/17/938527317.db2.gz RVZIWNBHQNCLGA-UHFFFAOYSA-N 1 0 422.529 4.109 20 30 HIEDRO COc1ccc(C[C@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)c2ccccc2)cc1OC ZINC000538159199 938528814 /nfs/dbraw/zinc/52/88/14/938528814.db2.gz SFWSYDUKHIDSPZ-QFIPXVFZSA-N 1 0 415.493 4.088 20 30 HIEDRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)cc1 ZINC000538178055 938539280 /nfs/dbraw/zinc/53/92/80/938539280.db2.gz PCNSTVQBKPYSNJ-RCZVLFRGSA-N 1 0 420.484 4.019 20 30 HIEDRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000538178094 938539605 /nfs/dbraw/zinc/53/96/05/938539605.db2.gz QPTRUADUUNHZNS-QHCPKHFHSA-N 1 0 403.457 4.218 20 30 HIEDRO COCCSc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000538205703 938553467 /nfs/dbraw/zinc/55/34/67/938553467.db2.gz ZEUHAEIHHCQEES-LSDHHAIUSA-N 1 0 401.532 4.184 20 30 HIEDRO O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(C#Cc2ccccc2)cc1 ZINC000538222721 938563409 /nfs/dbraw/zinc/56/34/09/938563409.db2.gz NJQMQHQLYMBQGZ-UHFFFAOYSA-N 1 0 410.517 4.295 20 30 HIEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H](c1ccccc1F)C1CCCC1 ZINC000538224833 938564011 /nfs/dbraw/zinc/56/40/11/938564011.db2.gz MCXNWLMEWASOFV-QHCPKHFHSA-N 1 0 417.488 4.343 20 30 HIEDRO C=C(C)COc1cc(C[NH+]2CCC(NC(=O)CC3CCCC3)CC2)ccc1OC ZINC000538730811 938694931 /nfs/dbraw/zinc/69/49/31/938694931.db2.gz RIZIFFHXWNKELR-UHFFFAOYSA-N 1 0 400.563 4.311 20 30 HIEDRO C=CC[N@@H+](Cc1ccc(OC)c(OC(F)F)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732246 938695851 /nfs/dbraw/zinc/69/58/51/938695851.db2.gz YDVSKBHXXYUIQS-HNNXBMFYSA-N 1 0 415.444 4.022 20 30 HIEDRO CC1CC[NH+](CCc2cccc(N[C@H]3CCN(c4ccc(C#N)cc4)C3=O)c2)CC1 ZINC000538754268 938703249 /nfs/dbraw/zinc/70/32/49/938703249.db2.gz HUKJBBQRZAHXCZ-DEOSSOPVSA-N 1 0 402.542 4.050 20 30 HIEDRO N#CCCn1cc(C[N@H+](CCc2ccccc2)[C@H]2CCOC2)c(-c2ccccc2)n1 ZINC000538792286 938713058 /nfs/dbraw/zinc/71/30/58/938713058.db2.gz MQEZLLTZDYBNDC-DEOSSOPVSA-N 1 0 400.526 4.297 20 30 HIEDRO CC[C@@H](CSC)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 ZINC000539096468 938802252 /nfs/dbraw/zinc/80/22/52/938802252.db2.gz HOGWWDIRWOTCTF-IBGZPJMESA-N 1 0 416.566 4.176 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1ccc(OCc2cccnc2)cc1 ZINC000539226114 938821806 /nfs/dbraw/zinc/82/18/06/938821806.db2.gz LDOIYKAEQQOERS-SFHVURJKSA-N 1 0 400.482 4.212 20 30 HIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 ZINC000539232526 938822726 /nfs/dbraw/zinc/82/27/26/938822726.db2.gz HREMIPVTYNSSOE-HOTGVXAUSA-N 1 0 410.543 4.186 20 30 HIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)c1 ZINC000539232525 938822792 /nfs/dbraw/zinc/82/27/92/938822792.db2.gz HREMIPVTYNSSOE-CVEARBPZSA-N 1 0 410.543 4.186 20 30 HIEDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2sccc2C#N)ccc1OCc1ccccc1 ZINC000539251822 938826360 /nfs/dbraw/zinc/82/63/60/938826360.db2.gz AZVJQKNNUQAFSJ-MRXNPFEDSA-N 1 0 421.522 4.497 20 30 HIEDRO CCCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)cc1OC ZINC000539253120 938826826 /nfs/dbraw/zinc/82/68/26/938826826.db2.gz KOCGBJDXACPKSA-CQSZACIVSA-N 1 0 401.894 4.298 20 30 HIEDRO CCC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000539261185 938829178 /nfs/dbraw/zinc/82/91/78/938829178.db2.gz MGXXZEAPRPZETD-IBGZPJMESA-N 1 0 410.461 4.482 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1C#N ZINC000539270753 938831105 /nfs/dbraw/zinc/83/11/05/938831105.db2.gz WRBVMBVAHIQURV-INIZCTEOSA-N 1 0 422.529 4.500 20 30 HIEDRO COc1cc([C@@H](C)[NH2+]CC(=O)NC2(C#N)CCCCC2)ccc1OCCC(C)C ZINC000539279374 938832348 /nfs/dbraw/zinc/83/23/48/938832348.db2.gz NWUCKZJNHYOBOA-GOSISDBHSA-N 1 0 401.551 4.113 20 30 HIEDRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1OC ZINC000539297627 938835990 /nfs/dbraw/zinc/83/59/90/938835990.db2.gz HZEASDJCMRPEBA-MRXNPFEDSA-N 1 0 415.921 4.263 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000539299487 938836535 /nfs/dbraw/zinc/83/65/35/938836535.db2.gz UDRGKHQXNMPNIQ-IAGOWNOFSA-N 1 0 402.560 4.328 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)c1C ZINC000539333902 938843622 /nfs/dbraw/zinc/84/36/22/938843622.db2.gz JKMCIGYVKKTRLR-JTHBVZDNSA-N 1 0 405.542 4.308 20 30 HIEDRO CCOc1c(Cl)cc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000539498133 938868799 /nfs/dbraw/zinc/86/87/99/938868799.db2.gz GPVAEWQDWKYQNP-UHFFFAOYSA-N 1 0 413.949 4.373 20 30 HIEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000539634925 938891363 /nfs/dbraw/zinc/89/13/63/938891363.db2.gz KHPDHXWZFIOWFO-GOSISDBHSA-N 1 0 420.532 4.014 20 30 HIEDRO COc1ccc(C#N)cc1C[NH+]1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000539738267 938917478 /nfs/dbraw/zinc/91/74/78/938917478.db2.gz XSZXVJKMVVGBLF-UHFFFAOYSA-N 1 0 420.431 4.035 20 30 HIEDRO C=CC[N@H+](Cc1c[nH]nc1-c1c(F)cccc1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539832771 938951558 /nfs/dbraw/zinc/95/15/58/938951558.db2.gz ZBGKZDMISUGZFS-HNNXBMFYSA-N 1 0 421.455 4.080 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc2ccc(C(F)(F)F)cc2[nH]1 ZINC000539890124 938967475 /nfs/dbraw/zinc/96/74/75/938967475.db2.gz RLVONDNPTVLLIH-UHFFFAOYSA-N 1 0 414.431 4.262 20 30 HIEDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)ccc1OC(C)C ZINC000540353781 939204848 /nfs/dbraw/zinc/20/48/48/939204848.db2.gz IHQCOZQXOULYSS-AWEZNQCLSA-N 1 0 401.532 4.322 20 30 HIEDRO COCCSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000540403488 939236022 /nfs/dbraw/zinc/23/60/22/939236022.db2.gz IEEKJMFIPMGPSE-CQSZACIVSA-N 1 0 403.935 4.239 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c(C#N)c1C ZINC000540467388 939264446 /nfs/dbraw/zinc/26/44/46/939264446.db2.gz IWRNBJDCAWBXKP-KBPBESRZSA-N 1 0 409.465 4.079 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H](CO)c2ccccc2C)c1C#N ZINC000541054222 939443821 /nfs/dbraw/zinc/44/38/21/939443821.db2.gz KSTFJYUFBPTDBG-JOCHJYFZSA-N 1 0 408.546 4.052 20 30 HIEDRO COc1ccccc1COC[C@H](O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541086482 939455084 /nfs/dbraw/zinc/45/50/84/939455084.db2.gz DZRAFVMUWOLYAZ-UQBPGWFLSA-N 1 0 416.521 4.462 20 30 HIEDRO CC(C)[NH+](CCCNC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)C(C)C ZINC000541098330 939459553 /nfs/dbraw/zinc/45/95/53/939459553.db2.gz WVLCBCBNQCZPBF-UHFFFAOYSA-N 1 0 402.930 4.028 20 30 HIEDRO C[C@@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541126006 939470112 /nfs/dbraw/zinc/47/01/12/939470112.db2.gz SPYAVBUPZBDEMA-HSALFYBXSA-N 1 0 420.557 4.085 20 30 HIEDRO Cc1cn(C2CCCCC2)nc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000541473262 939530098 /nfs/dbraw/zinc/53/00/98/939530098.db2.gz CZTFXUMYHQQGRF-UHFFFAOYSA-N 1 0 408.550 4.164 20 30 HIEDRO COc1ccccc1C[C@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C(C)C ZINC000541634822 939578178 /nfs/dbraw/zinc/57/81/78/939578178.db2.gz WAKOTAAGLLQDOM-KXBFYZLASA-N 1 0 411.571 4.301 20 30 HIEDRO CN(CCC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)c1cc[nH+]cc1 ZINC000541857156 939647573 /nfs/dbraw/zinc/64/75/73/939647573.db2.gz PYBRUWQMAXVLSH-UHFFFAOYSA-N 1 0 400.482 4.192 20 30 HIEDRO C[C@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542020014 939688603 /nfs/dbraw/zinc/68/86/03/939688603.db2.gz UKURQDYQIJZWDI-SBUREZEXSA-N 1 0 417.465 4.224 20 30 HIEDRO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2CC(=O)N[C@](C)(C#N)C2CC2)c1 ZINC000542261602 939775874 /nfs/dbraw/zinc/77/58/74/939775874.db2.gz PCSUBTBMFAVJIB-QLBJFCOMSA-N 1 0 403.526 4.034 20 30 HIEDRO CC[NH+]1CCN(c2ccc(NC(=O)N(Cc3ccc(C#N)cc3)C3CC3)c(C)c2)CC1 ZINC000542359651 939807304 /nfs/dbraw/zinc/80/73/04/939807304.db2.gz SHPGKWKUSJOQKY-UHFFFAOYSA-N 1 0 417.557 4.205 20 30 HIEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)CSc2cccc(Cl)c2C#N)CC1 ZINC000543031334 939898898 /nfs/dbraw/zinc/89/88/98/939898898.db2.gz QVLNPJVJYSYVTG-UHFFFAOYSA-N 1 0 413.974 4.347 20 30 HIEDRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000543074161 939925795 /nfs/dbraw/zinc/92/57/95/939925795.db2.gz MBCDAALDPNKOHF-VGSWGCGISA-N 1 0 404.514 4.387 20 30 HIEDRO COc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1OC1CCCC1 ZINC000543152585 939976626 /nfs/dbraw/zinc/97/66/26/939976626.db2.gz SCOHQLZGIRTIRK-UHFFFAOYSA-N 1 0 421.541 4.092 20 30 HIEDRO COC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(C)o1 ZINC000543486100 940080144 /nfs/dbraw/zinc/08/01/44/940080144.db2.gz SHMXUDXRDVFYGM-QGZVFWFLSA-N 1 0 401.532 4.096 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+][C@H](C)c2cnn(C(C)C)c2)c1C#N ZINC000543503586 940087553 /nfs/dbraw/zinc/08/75/53/940087553.db2.gz CXRZYOPXUXQNEX-QGZVFWFLSA-N 1 0 422.533 4.075 20 30 HIEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C ZINC000543514161 940091682 /nfs/dbraw/zinc/09/16/82/940091682.db2.gz ZOEUIKVNIHFMJB-KUUHDYPXSA-N 1 0 402.539 4.351 20 30 HIEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C ZINC000543516568 940093008 /nfs/dbraw/zinc/09/30/08/940093008.db2.gz XDKMVJWPKCZCTK-XCLFUZPHSA-N 1 0 404.967 4.477 20 30 HIEDRO C[C@@H]1CN(c2ccccc2NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000543758895 940177064 /nfs/dbraw/zinc/17/70/64/940177064.db2.gz IZKXFHJOOHEEKW-BGYRXZFFSA-N 1 0 404.558 4.248 20 30 HIEDRO C[C@@H]1C[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CCN1Cc1ccccc1 ZINC000543768271 940180408 /nfs/dbraw/zinc/18/04/08/940180408.db2.gz JDYNCWNRDNCLRN-BSMGPNNRSA-N 1 0 404.558 4.286 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N1CC(=O)Nc2ccccc21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543863208 940215051 /nfs/dbraw/zinc/21/50/51/940215051.db2.gz ONTZDYPLKJTYAO-MSOLQXFVSA-N 1 0 424.504 4.250 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000543863209 940215276 /nfs/dbraw/zinc/21/52/76/940215276.db2.gz ONTZDYPLKJTYAO-QZTJIDSGSA-N 1 0 424.504 4.250 20 30 HIEDRO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2CC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000544130856 940334167 /nfs/dbraw/zinc/33/41/67/940334167.db2.gz VYQWYXHASRRYIU-QLBJFCOMSA-N 1 0 405.542 4.280 20 30 HIEDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000544416354 940417763 /nfs/dbraw/zinc/41/77/63/940417763.db2.gz WUJIZMNBOPRVEY-OAQYLSRUSA-N 1 0 410.564 4.276 20 30 HIEDRO CCN(C(=O)CCCCOc1cccc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000544850460 940519158 /nfs/dbraw/zinc/51/91/58/940519158.db2.gz BZYKADIIARCORC-HSZRJFAPSA-N 1 0 405.542 4.230 20 30 HIEDRO Cc1cc(C#N)ccc1-c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000545002436 940532451 /nfs/dbraw/zinc/53/24/51/940532451.db2.gz JZZLDUMQBAPXRV-UHFFFAOYSA-N 1 0 407.905 4.379 20 30 HIEDRO CC[NH+](CC)CCOc1ccc(-c2noc(C3(c4cccc(C#N)c4)CC3)n2)cc1 ZINC000545006648 940532889 /nfs/dbraw/zinc/53/28/89/940532889.db2.gz KKUKRFOQIKZJNG-UHFFFAOYSA-N 1 0 402.498 4.409 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+]C(C)(C)c2ccc(C)nc2)c1C#N ZINC000546104769 940700025 /nfs/dbraw/zinc/70/00/25/940700025.db2.gz RVZXMWMGMVHYAZ-UHFFFAOYSA-N 1 0 419.529 4.175 20 30 HIEDRO COc1cc(C#N)ccc1NC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000546708200 940871443 /nfs/dbraw/zinc/87/14/43/940871443.db2.gz XIDXIRRHCLIZTI-QRWLVFNGSA-N 1 0 416.884 4.174 20 30 HIEDRO COc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1OC(C)C ZINC000546927521 940916061 /nfs/dbraw/zinc/91/60/61/940916061.db2.gz WMBIREBYYTZZAV-UHFFFAOYSA-N 1 0 422.529 4.094 20 30 HIEDRO C[NH+](C)C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(Cl)cc1 ZINC000549232323 941172646 /nfs/dbraw/zinc/17/26/46/941172646.db2.gz BIUZRHXUOZWTBG-OAQYLSRUSA-N 1 0 423.900 4.416 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549250553 941174146 /nfs/dbraw/zinc/17/41/46/941174146.db2.gz YNGRDKQBJCWQSX-QUCCMNQESA-N 1 0 413.541 4.198 20 30 HIEDRO C=C(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000549273188 941175930 /nfs/dbraw/zinc/17/59/30/941175930.db2.gz VLTFWQMGNGWHTI-KNQAVFIVSA-N 1 0 409.553 4.037 20 30 HIEDRO C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000549326478 941180265 /nfs/dbraw/zinc/18/02/65/941180265.db2.gz PNYNZQZDMKGROM-WOJBJXKFSA-N 1 0 415.626 4.228 20 30 HIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000549477403 941194494 /nfs/dbraw/zinc/19/44/94/941194494.db2.gz KOEGEXWCHLDXSG-OFNKIYASSA-N 1 0 415.484 4.037 20 30 HIEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)C1 ZINC000549540622 941198716 /nfs/dbraw/zinc/19/87/16/941198716.db2.gz QMKPUKVGLKVXJP-QFIPXVFZSA-N 1 0 414.557 4.033 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000549634703 941202250 /nfs/dbraw/zinc/20/22/50/941202250.db2.gz VXCXSKUTEJITHV-KSEOMHKRSA-N 1 0 409.578 4.053 20 30 HIEDRO C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000549637341 941202312 /nfs/dbraw/zinc/20/23/12/941202312.db2.gz DUXFEJVEEOJCNN-LJQANCHMSA-N 1 0 404.562 4.078 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000549665932 941203587 /nfs/dbraw/zinc/20/35/87/941203587.db2.gz CFJYVLKFLVLPQF-NRFANRHFSA-N 1 0 408.594 4.173 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000549723616 941205749 /nfs/dbraw/zinc/20/57/49/941205749.db2.gz BYSOYHWBENFDRN-KRWDZBQOSA-N 1 0 417.985 4.351 20 30 HIEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000549733521 941206008 /nfs/dbraw/zinc/20/60/08/941206008.db2.gz JIGQHQDERVAPIB-FQEVSTJZSA-N 1 0 406.578 4.025 20 30 HIEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000549733522 941206033 /nfs/dbraw/zinc/20/60/33/941206033.db2.gz JIGQHQDERVAPIB-HXUWFJFHSA-N 1 0 406.578 4.025 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000550225891 941301440 /nfs/dbraw/zinc/30/14/40/941301440.db2.gz XCOSVDFGMPZGBH-ZIAGYGMSSA-N 1 0 411.868 4.214 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(-n2cccn2)c(F)c1 ZINC000550225890 941301684 /nfs/dbraw/zinc/30/16/84/941301684.db2.gz XCOSVDFGMPZGBH-KGLIPLIRSA-N 1 0 411.868 4.214 20 30 HIEDRO CSc1ccc([C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)N(C)C)cc1 ZINC000550320079 941314115 /nfs/dbraw/zinc/31/41/15/941314115.db2.gz SFZVQFKMFSBEKG-QFIPXVFZSA-N 1 0 405.571 4.073 20 30 HIEDRO Cc1cc(C#N)cnc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000550914946 941381725 /nfs/dbraw/zinc/38/17/25/941381725.db2.gz ZVSWBPBINNBMPH-XLIONFOSSA-N 1 0 416.447 4.093 20 30 HIEDRO COc1ccc([C@@H](CNC(=O)CSc2cccc(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000551092135 941408553 /nfs/dbraw/zinc/40/85/53/941408553.db2.gz RZDNOVYXPUPNGZ-JOCHJYFZSA-N 1 0 409.555 4.002 20 30 HIEDRO C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)cc1F ZINC000551263488 941438772 /nfs/dbraw/zinc/43/87/72/941438772.db2.gz RMMKJOHSXXCUKW-UGKGYDQZSA-N 1 0 407.533 4.277 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCCN(Cc4c(F)cccc4F)C3)CC2)cc1 ZINC000552043990 941572588 /nfs/dbraw/zinc/57/25/88/941572588.db2.gz JTVLQIVYGMNDHI-HXUWFJFHSA-N 1 0 410.512 4.059 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cccc(COC4CCOCC4)c3)CC2)cc1 ZINC000552047324 941573475 /nfs/dbraw/zinc/57/34/75/941573475.db2.gz IAXQIWIVQXARLV-UHFFFAOYSA-N 1 0 405.542 4.012 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(CCc2ccccn2)Cc2ccc(F)cc2)CC1 ZINC000552929819 941804871 /nfs/dbraw/zinc/80/48/71/941804871.db2.gz AVUXHUIFZMRLSO-UHFFFAOYSA-N 1 0 410.537 4.016 20 30 HIEDRO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c(C#N)c1C ZINC000553026183 941819084 /nfs/dbraw/zinc/81/90/84/941819084.db2.gz FGFJJTYHWQROPF-OAHLLOKOSA-N 1 0 423.492 4.189 20 30 HIEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)Cc1ccccc1 ZINC000553394282 941878724 /nfs/dbraw/zinc/87/87/24/941878724.db2.gz KVIUTSXNEFFCJC-KRWDZBQOSA-N 1 0 411.571 4.222 20 30 HIEDRO C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@@H](C)C1 ZINC000553769592 941963145 /nfs/dbraw/zinc/96/31/45/941963145.db2.gz IOLPQJFJDQUKHJ-HOIFWPIMSA-N 1 0 407.489 4.292 20 30 HIEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000553766887 941963365 /nfs/dbraw/zinc/96/33/65/941963365.db2.gz SXPYTPPDEZLWKS-HZPDHXFCSA-N 1 0 403.523 4.140 20 30 HIEDRO C[C@@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC[N@@H+](C2CCC2)C1 ZINC000553865637 941987518 /nfs/dbraw/zinc/98/75/18/941987518.db2.gz VZBCKCJQEGOTPI-IBGZPJMESA-N 1 0 403.526 4.084 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]([C@@H](C)CO)C2CCCC2)c1C#N ZINC000553918134 941997803 /nfs/dbraw/zinc/99/78/03/941997803.db2.gz SWLRLWQIODEEGX-INIZCTEOSA-N 1 0 400.567 4.046 20 30 HIEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000554095599 942035486 /nfs/dbraw/zinc/03/54/86/942035486.db2.gz KOJCVFRSZOVSAB-SEJPIABJSA-N 1 0 405.546 4.432 20 30 HIEDRO CN(C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000554186230 942061821 /nfs/dbraw/zinc/06/18/21/942061821.db2.gz OVBNYOUKRKODLQ-WCRBZPEASA-N 1 0 422.504 4.365 20 30 HIEDRO C[N@H+](Cc1ccc(Br)cc1C#N)C1CCN(C(=O)c2ccccc2)CC1 ZINC000554242846 942076491 /nfs/dbraw/zinc/07/64/91/942076491.db2.gz ICQFCHOWZJIYND-UHFFFAOYSA-N 1 0 412.331 4.057 20 30 HIEDRO COc1cccc([C@H]2[C@H]([NH2+]Cc3ccc(C#N)cc3OC(F)F)CCN2C2CC2)c1 ZINC000555131120 942395972 /nfs/dbraw/zinc/39/59/72/942395972.db2.gz ZIIXNGYSQRTNLP-IRLDBZIGSA-N 1 0 413.468 4.236 20 30 HIEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000555256017 942448604 /nfs/dbraw/zinc/44/86/04/942448604.db2.gz SAYMJKSBUJBEEK-SFTDATJTSA-N 1 0 411.594 4.323 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000555267074 942455360 /nfs/dbraw/zinc/45/53/60/942455360.db2.gz MSNWILCVBGFZQD-KRWDZBQOSA-N 1 0 415.969 4.322 20 30 HIEDRO CCC[N@H+](CC(=O)NCc1ccccc1OC1CCCC1)Cc1ccc(C#N)cc1 ZINC000555481473 942583769 /nfs/dbraw/zinc/58/37/69/942583769.db2.gz UYASQZBNEPFFMG-UHFFFAOYSA-N 1 0 405.542 4.408 20 30 HIEDRO C[C@@H](c1ccccc1F)N1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1=O ZINC000555608331 942667616 /nfs/dbraw/zinc/66/76/16/942667616.db2.gz FTHIGPVGQBVFPY-UUOWRZLLSA-N 1 0 420.532 4.008 20 30 HIEDRO N#Cc1cccc(C2([NH2+]CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C3CC3)CC2)c1 ZINC000556505001 942887303 /nfs/dbraw/zinc/88/73/03/942887303.db2.gz AVMNQPKTAXCHQS-UHFFFAOYSA-N 1 0 413.443 4.347 20 30 HIEDRO COc1ccc(C[C@@H]([NH2+]CCn2cnc(C#N)n2)c2cc(Cl)ccc2Cl)cc1 ZINC000556925029 942968286 /nfs/dbraw/zinc/96/82/86/942968286.db2.gz XZYISIRPXLZACO-LJQANCHMSA-N 1 0 416.312 4.039 20 30 HIEDRO C=CCn1cccc1C(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000557448911 943132920 /nfs/dbraw/zinc/13/29/20/943132920.db2.gz PLSJMIBEBKHTNJ-XMMPIXPASA-N 1 0 414.553 4.376 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c1 ZINC000558133337 943391014 /nfs/dbraw/zinc/39/10/14/943391014.db2.gz MEGCNSFOTQQLEM-LEWJYISDSA-N 1 0 423.582 4.051 20 30 HIEDRO CN1CC[C@H]([NH2+]Cc2ccc(Br)cc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000558466653 943566467 /nfs/dbraw/zinc/56/64/67/943566467.db2.gz PBMPVRNYKITUHV-OALUTQOASA-N 1 0 406.274 4.134 20 30 HIEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000558675643 943626730 /nfs/dbraw/zinc/62/67/30/943626730.db2.gz QRNJPRSCAVNVTM-UHFFFAOYSA-N 1 0 417.985 4.253 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000559000507 943797818 /nfs/dbraw/zinc/79/78/18/943797818.db2.gz NLWWFHFOMMPIQE-QFIPXVFZSA-N 1 0 418.589 4.341 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CCOC)c2ccc(Cl)c(Cl)c2)CC1 ZINC000560055040 944143095 /nfs/dbraw/zinc/14/30/95/944143095.db2.gz DLRYGYAOPOQGQC-IBGZPJMESA-N 1 0 414.377 4.411 20 30 HIEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)CCC(F)(F)F ZINC000560132641 944172056 /nfs/dbraw/zinc/17/20/56/944172056.db2.gz CKNVOSVYCCOTRZ-KZNAEPCWSA-N 1 0 418.887 4.363 20 30 HIEDRO C[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000560335012 944227562 /nfs/dbraw/zinc/22/75/62/944227562.db2.gz DSASABMXQUQOIU-MRXNPFEDSA-N 1 0 401.445 4.170 20 30 HIEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(C#N)ccc1Cl ZINC000560598166 944269816 /nfs/dbraw/zinc/26/98/16/944269816.db2.gz BCSAEISKTCYCMG-IBGZPJMESA-N 1 0 419.916 4.416 20 30 HIEDRO Cc1cc(NC(=O)c2cc(C#N)ccc2Cl)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000560601548 944270808 /nfs/dbraw/zinc/27/08/08/944270808.db2.gz RUSOHNKYFQYOIR-IBGZPJMESA-N 1 0 419.916 4.416 20 30 HIEDRO C[C@@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000561057468 944419912 /nfs/dbraw/zinc/41/99/12/944419912.db2.gz SVBVLHHIGHUYCW-ROUUACIJSA-N 1 0 416.997 4.055 20 30 HIEDRO CCN(CC[NH+]1CCCCCC1)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000561902245 944847376 /nfs/dbraw/zinc/84/73/76/944847376.db2.gz NFJCYKBZZHBBGB-IBGZPJMESA-N 1 0 402.608 4.075 20 30 HIEDRO C=CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OCC ZINC000561983071 944885224 /nfs/dbraw/zinc/88/52/24/944885224.db2.gz NAODBZXCGVAMIF-MAUKXSAKSA-N 1 0 411.384 4.185 20 30 HIEDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000562200114 945016746 /nfs/dbraw/zinc/01/67/46/945016746.db2.gz COZPTXPNAXJOFK-MJGOQNOKSA-N 1 0 407.823 4.292 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2ccc(C#N)c(OC)c2)cc1OC ZINC000565450079 945833449 /nfs/dbraw/zinc/83/34/49/945833449.db2.gz KDKOJRQDYHRIIG-UHFFFAOYSA-N 1 0 417.303 4.193 20 30 HIEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000565450414 945833804 /nfs/dbraw/zinc/83/38/04/945833804.db2.gz PPDGJWRYRVRWFF-KRWDZBQOSA-N 1 0 420.488 4.482 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000565528080 945845323 /nfs/dbraw/zinc/84/53/23/945845323.db2.gz PORLKTZACHMUNI-HXUWFJFHSA-N 1 0 403.551 4.376 20 30 HIEDRO CC1(c2nc(-c3ccn4c[nH+]cc4c3)no2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000565624078 945857280 /nfs/dbraw/zinc/85/72/80/945857280.db2.gz AQZNGQHLGUMERA-UHFFFAOYSA-N 1 0 418.888 4.467 20 30 HIEDRO C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000565863004 945898243 /nfs/dbraw/zinc/89/82/43/945898243.db2.gz QPRZDGFRBUREIX-GOSISDBHSA-N 1 0 415.497 4.388 20 30 HIEDRO CCc1nc(CN2CCC(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)CC2)cs1 ZINC000566753633 946087318 /nfs/dbraw/zinc/08/73/18/946087318.db2.gz RFXWPVWHYPUEBF-UHFFFAOYSA-N 1 0 423.630 4.048 20 30 HIEDRO CC1CC[NH+](Cc2cccc(CNC(=O)c3cnc(C(F)(F)F)c(C#N)c3)c2)CC1 ZINC000566962468 946194054 /nfs/dbraw/zinc/19/40/54/946194054.db2.gz OBFOSJUHEGFFLD-UHFFFAOYSA-N 1 0 416.447 4.134 20 30 HIEDRO C[NH+](C)CCN(Cc1cn(CCC#N)nc1-c1ccncc1)Cc1cccc(Cl)c1 ZINC000569052763 946810886 /nfs/dbraw/zinc/81/08/86/946810886.db2.gz TWLQWRHXDIOEIQ-UHFFFAOYSA-N 1 0 422.964 4.076 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000569134060 946819974 /nfs/dbraw/zinc/81/99/74/946819974.db2.gz IGISFOFNYBZECW-UHFFFAOYSA-N 1 0 403.958 4.053 20 30 HIEDRO CC(C)(CO)[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cccs1 ZINC000569508199 946882615 /nfs/dbraw/zinc/88/26/15/946882615.db2.gz PNHDOSXIZSMHMR-IBGZPJMESA-N 1 0 417.600 4.238 20 30 HIEDRO C[C@@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1=O ZINC000569594079 946893988 /nfs/dbraw/zinc/89/39/88/946893988.db2.gz BEBLDQNBPZPVLT-UUOWRZLLSA-N 1 0 420.532 4.008 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2c3ccccc3CC23CCOCC3)c1 ZINC000570731079 947338025 /nfs/dbraw/zinc/33/80/25/947338025.db2.gz FZCLEAUUWDVPIS-RUZDIDTESA-N 1 0 417.553 4.234 20 30 HIEDRO Cc1ccc(CNC(=O)C2CCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)cc1 ZINC000571728493 947766834 /nfs/dbraw/zinc/76/68/34/947766834.db2.gz KCCHAWKJKYUYEX-UHFFFAOYSA-N 1 0 415.459 4.414 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCCN(c4ccccc4)CC3)sc2C1 ZINC000573026346 948062990 /nfs/dbraw/zinc/06/29/90/948062990.db2.gz BUZCVEZSUZYYQS-GOSISDBHSA-N 1 0 422.598 4.285 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000573253449 948122526 /nfs/dbraw/zinc/12/25/26/948122526.db2.gz OCGANIUPFLUGQB-HTAPYJJXSA-N 1 0 411.571 4.369 20 30 HIEDRO N#Cc1cccc(C2([NH2+]CC(=O)Nc3ccc(NC(=O)c4cccs4)cc3)CC2)c1 ZINC000573940963 948329944 /nfs/dbraw/zinc/32/99/44/948329944.db2.gz UNBPNRVJMZUHLU-UHFFFAOYSA-N 1 0 416.506 4.089 20 30 HIEDRO C=CCOc1ccc(C[N@@H+](C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)cc1 ZINC000574962092 948566228 /nfs/dbraw/zinc/56/62/28/948566228.db2.gz PFMYWVHSXPEASH-UHFFFAOYSA-N 1 0 409.574 4.368 20 30 HIEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164626625 719070686 /nfs/dbraw/zinc/07/06/86/719070686.db2.gz OVIVXCRGUNDGSM-LPHOPBHVSA-N 1 0 402.876 4.252 20 30 HIEDRO N#Cc1cc(C(F)(F)N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cnc1Cl ZINC001164627785 719080091 /nfs/dbraw/zinc/08/00/91/719080091.db2.gz QRDBBRAFOLNEFY-QFBILLFUSA-N 1 0 402.876 4.252 20 30 HIEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164628835 719090055 /nfs/dbraw/zinc/09/00/55/719090055.db2.gz OXGQIWUYJCALLE-QFBILLFUSA-N 1 0 402.876 4.252 20 30 HIEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(Cl)c(F)cc2C#N)CC3)cs1 ZINC001164690931 719803606 /nfs/dbraw/zinc/80/36/06/719803606.db2.gz CRPHZDGTNGMHJU-UHFFFAOYSA-N 1 0 405.930 4.146 20 30 HIEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164722408 720483201 /nfs/dbraw/zinc/48/32/01/720483201.db2.gz AFQXPHILTMTKGB-PMACEKPBSA-N 1 0 407.880 4.147 20 30 HIEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164731179 720490587 /nfs/dbraw/zinc/49/05/87/720490587.db2.gz WJTVZCVJIDBCAO-WOJBJXKFSA-N 1 0 403.917 4.317 20 30 HIEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccc3ccc(C#N)cc31)CC2 ZINC001164840472 720683995 /nfs/dbraw/zinc/68/39/95/720683995.db2.gz FEPNBWPWEWOCFW-HSZRJFAPSA-N 1 0 412.537 4.366 20 30 HIEDRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncc([N+](=O)[O-])cc4C#N)CC3)CC2)cc1 ZINC001164759081 721044080 /nfs/dbraw/zinc/04/40/80/721044080.db2.gz FPULDOLOHLKKLJ-UHFFFAOYSA-N 1 0 405.502 4.053 20 30 HIEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909901 721552113 /nfs/dbraw/zinc/55/21/13/721552113.db2.gz VDLGEOZVZMWZSK-WMZOPIPTSA-N 1 0 422.891 4.241 20 30 HIEDRO N#Cc1ccc2ccnc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164908505 721699485 /nfs/dbraw/zinc/69/94/85/721699485.db2.gz ZOTXHCBNSQLZKW-HSZRJFAPSA-N 1 0 419.479 4.239 20 30 HIEDRO Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001165028089 721801570 /nfs/dbraw/zinc/80/15/70/721801570.db2.gz YFWSTWCALQREMD-WMQCIHAUSA-N 1 0 409.965 4.355 20 30 HIEDRO Cc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(C#N)c(C)c1Cl ZINC001165028087 721801611 /nfs/dbraw/zinc/80/16/11/721801611.db2.gz YFWSTWCALQREMD-IOMROCGXSA-N 1 0 409.965 4.355 20 30 HIEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(C)c(C#N)cc2Cl)CC1 ZINC001165031223 721845217 /nfs/dbraw/zinc/84/52/17/721845217.db2.gz YTAOJVDJMGEZLC-UHFFFAOYSA-N 1 0 414.937 4.033 20 30 HIEDRO Cc1c(Cl)c(Cl)nc(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)c1C#N ZINC001164952437 722014599 /nfs/dbraw/zinc/01/45/99/722014599.db2.gz KJNJBWCLFBPFJZ-UHFFFAOYSA-N 1 0 416.356 4.456 20 30 HIEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164951741 722016031 /nfs/dbraw/zinc/01/60/31/722016031.db2.gz DCLSSSPVEIWCKW-UHFFFAOYSA-N 1 0 417.891 4.039 20 30 HIEDRO CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C#N)c2ccccc2Cl)C1 ZINC000436048659 861337659 /nfs/dbraw/zinc/33/76/59/861337659.db2.gz WHUZZEJZKFIHHD-NRFANRHFSA-N 1 0 420.944 4.442 20 30 HIEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000436155794 861455751 /nfs/dbraw/zinc/45/57/51/861455751.db2.gz STJSNKUWBVTSJY-FYYLOGMGSA-N 1 0 417.557 4.132 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccccc2C)[n+]2ccc(N(C)C)cc2)c(C)n1C ZINC000011167310 845761514 /nfs/dbraw/zinc/76/15/14/845761514.db2.gz FXVITGDZVJRADB-UHFFFAOYSA-O 1 0 421.590 4.355 20 30 HIEDRO Cc1ccccc1NC(=S)C(C(=O)c1ccc(F)cc1F)[n+]1cccc(CO)c1 ZINC000011167498 845761673 /nfs/dbraw/zinc/76/16/73/845761673.db2.gz MYPYZQZYNWUPEN-UHFFFAOYSA-O 1 0 413.469 4.104 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)c(F)c1 ZINC000436303526 861606919 /nfs/dbraw/zinc/60/69/19/861606919.db2.gz CTQPWEAUHFMIQQ-HSQYWUDLSA-N 1 0 421.509 4.029 20 30 HIEDRO C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000014855842 845986649 /nfs/dbraw/zinc/98/66/49/845986649.db2.gz ZDRQZTNVCNNTOC-KRWDZBQOSA-N 1 0 405.523 4.066 20 30 HIEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)cc2)CC1 ZINC000436342682 861654584 /nfs/dbraw/zinc/65/45/84/861654584.db2.gz VCXJMVUYVUOBPE-LOSJGSFVSA-N 1 0 416.569 4.129 20 30 HIEDRO COc1cc(C[N@H+](CCC(=O)Nc2sccc2C#N)C2CC2)ccc1OC(F)F ZINC000021672571 846480952 /nfs/dbraw/zinc/48/09/52/846480952.db2.gz UVBLPNFMZSFXRK-UHFFFAOYSA-N 1 0 421.469 4.223 20 30 HIEDRO C=CCSc1nc2ccccc2n1C[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000022003170 846519535 /nfs/dbraw/zinc/51/95/35/846519535.db2.gz BPWBNCOKQIXTOI-UHFFFAOYSA-N 1 0 406.555 4.166 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2ccccc2)C(=S)NCc2ccc(OC)cc2)cc1 ZINC000022692576 846605252 /nfs/dbraw/zinc/60/52/52/846605252.db2.gz FRDYFZYZTMBCHO-UHFFFAOYSA-O 1 0 405.543 4.274 20 30 HIEDRO CNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022734531 846611354 /nfs/dbraw/zinc/61/13/54/846611354.db2.gz WRYNEPZGEVMWBK-UHFFFAOYSA-O 1 0 401.555 4.212 20 30 HIEDRO O=C(c1ccc(Cl)s1)C(C(=S)NCCc1ccccc1)[n+]1ccccc1 ZINC000022735283 846611678 /nfs/dbraw/zinc/61/16/78/846611678.db2.gz MKGPPXYFLXIJBI-UHFFFAOYSA-O 1 0 401.964 4.460 20 30 HIEDRO CCC(CC)c1cc[n+](C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C(=S)NC)cc1 ZINC000022734671 846611711 /nfs/dbraw/zinc/61/17/11/846611711.db2.gz MLDWJPUDJNJDHK-UHFFFAOYSA-O 1 0 400.524 4.253 20 30 HIEDRO O=C(c1ccc2c(c1)CCC2)C(C(=S)NCCc1ccccc1)[n+]1ccccc1 ZINC000022735923 846612699 /nfs/dbraw/zinc/61/26/99/846612699.db2.gz IWDULYZCNMXGEJ-UHFFFAOYSA-O 1 0 401.555 4.234 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(Cl)cc1Cl)[n+]1ccc(N(C)C)cc1 ZINC000022795154 846621783 /nfs/dbraw/zinc/62/17/83/846621783.db2.gz QHAUIUVQFZMXNB-UHFFFAOYSA-O 1 0 423.389 4.451 20 30 HIEDRO O[C@@]1(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CCC[C@H](C(F)(F)F)C1 ZINC000436413644 861765078 /nfs/dbraw/zinc/76/50/78/861765078.db2.gz RITVLTHMPXNNRP-WFASDCNBSA-N 1 0 403.338 4.340 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1C#N ZINC000027140280 847255293 /nfs/dbraw/zinc/25/52/93/847255293.db2.gz MSGGOTPGOSLFIP-UHFFFAOYSA-N 1 0 406.555 4.078 20 30 HIEDRO Cc1ccc[n+](C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C(=S)NCc2ccccc2)c1 ZINC000028777374 847459237 /nfs/dbraw/zinc/45/92/37/847459237.db2.gz LCOULXROSZBUAM-UHFFFAOYSA-O 1 0 420.514 4.228 20 30 HIEDRO COc1ccc(NC(=S)C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)[n+]2ccccc2)cc1 ZINC000028793723 847461840 /nfs/dbraw/zinc/46/18/40/847461840.db2.gz CQFGMZNBUFVWJF-UHFFFAOYSA-O 1 0 422.530 4.181 20 30 HIEDRO C[C@@H](C(=O)Nc1cccc2ccccc21)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000028961459 847484577 /nfs/dbraw/zinc/48/45/77/847484577.db2.gz RWOBDEWBFSPFHU-FQEVSTJZSA-N 1 0 412.537 4.246 20 30 HIEDRO Cc1cc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C#N)cc1N(C)C ZINC000436483461 861820027 /nfs/dbraw/zinc/82/00/27/861820027.db2.gz CHWMHWZOJHXYHV-LJQANCHMSA-N 1 0 405.546 4.061 20 30 HIEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C(c1ccccc1)c1ccccc1 ZINC000030531840 847730157 /nfs/dbraw/zinc/73/01/57/847730157.db2.gz HIXQXTMCYVUNIN-YKSBVNFPSA-N 1 0 400.522 4.303 20 30 HIEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)c4ccc(C#N)cc4)cc3)CC2)c1 ZINC000032018790 847979573 /nfs/dbraw/zinc/97/95/73/847979573.db2.gz MWJXZYHEAOVNCJ-UHFFFAOYSA-N 1 0 410.521 4.441 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1ccsc1 ZINC000032638226 848058176 /nfs/dbraw/zinc/05/81/76/848058176.db2.gz ISKUWUGMSAADLX-JOCHJYFZSA-N 1 0 405.523 4.231 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1C#N ZINC000032761051 848073018 /nfs/dbraw/zinc/07/30/18/848073018.db2.gz YQENXWDTAMLWJZ-OAQYLSRUSA-N 1 0 406.555 4.119 20 30 HIEDRO C[C@H](NC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)c1ccc(C#N)cc1 ZINC000042019618 848274226 /nfs/dbraw/zinc/27/42/26/848274226.db2.gz DGGGYYPBCHGHSE-SFHVURJKSA-N 1 0 418.541 4.139 20 30 HIEDRO N#CC1(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)CCCC1 ZINC000044519293 848564435 /nfs/dbraw/zinc/56/44/35/848564435.db2.gz UXVGHMSFCOIXIF-UHFFFAOYSA-N 1 0 402.542 4.027 20 30 HIEDRO N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000046744108 848924048 /nfs/dbraw/zinc/92/40/48/848924048.db2.gz MEAJGKZQZKSVCD-DEOSSOPVSA-N 1 0 411.505 4.142 20 30 HIEDRO CC(C)C[NH+]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000047580607 849075935 /nfs/dbraw/zinc/07/59/35/849075935.db2.gz BYSVYRWFLHHAEN-UHFFFAOYSA-N 1 0 406.530 4.137 20 30 HIEDRO CCCOc1cc(C)ccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000047766155 849107564 /nfs/dbraw/zinc/10/75/64/849107564.db2.gz WFCIUXCRIYFDFN-UHFFFAOYSA-N 1 0 406.530 4.395 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@@H]3CCN(CC(F)(F)F)C3)c2)c1 ZINC000048745028 849261724 /nfs/dbraw/zinc/26/17/24/849261724.db2.gz NEYLXHUGHUKXMH-FQEVSTJZSA-N 1 0 403.448 4.111 20 30 HIEDRO C=CCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050136860 849356272 /nfs/dbraw/zinc/35/62/72/849356272.db2.gz ZEIHTKJREMISQH-SFHVURJKSA-N 1 0 401.551 4.497 20 30 HIEDRO N#CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)cc1 ZINC000051472392 849472983 /nfs/dbraw/zinc/47/29/83/849472983.db2.gz XEPMLMQYYGTZJT-TZIWHRDSSA-N 1 0 415.331 4.092 20 30 HIEDRO CC(C)([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1ccc(Br)cc1 ZINC000054990026 849953154 /nfs/dbraw/zinc/95/31/54/849953154.db2.gz DPIDUGUHNFKLMY-UHFFFAOYSA-N 1 0 400.320 4.221 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1ccc(OCc2cccnc2)cc1 ZINC000056144405 850253075 /nfs/dbraw/zinc/25/30/75/850253075.db2.gz VTRFEIUIKGWHCN-MSOLQXFVSA-N 1 0 400.482 4.210 20 30 HIEDRO COc1ccc2[nH]cc(C3CC[NH+](CCC(=O)Nc4ccc(C#N)cc4)CC3)c2c1 ZINC000060039656 851034750 /nfs/dbraw/zinc/03/47/50/851034750.db2.gz NRMWLSHCEGGBKV-UHFFFAOYSA-N 1 0 402.498 4.256 20 30 HIEDRO C=CCN(Cc1ccccc1)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000063407294 851681278 /nfs/dbraw/zinc/68/12/78/851681278.db2.gz DJMOPIHZPXQQCJ-UHFFFAOYSA-N 1 0 407.558 4.305 20 30 HIEDRO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CCC(=O)Nc1ccccc1C#N ZINC000063559712 851713949 /nfs/dbraw/zinc/71/39/49/851713949.db2.gz LKSLUWZUCGEONA-UHFFFAOYSA-N 1 0 401.514 4.130 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)sc2c1CCC2 ZINC000063559264 851714173 /nfs/dbraw/zinc/71/41/73/851714173.db2.gz GYKYUEYPHCBIHU-SFHVURJKSA-N 1 0 409.555 4.118 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000437093115 862284629 /nfs/dbraw/zinc/28/46/29/862284629.db2.gz FXVGBGICOKHIAU-CBNMVNINSA-N 1 0 406.486 4.162 20 30 HIEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c(C)c1 ZINC000437107668 862296236 /nfs/dbraw/zinc/29/62/36/862296236.db2.gz QERYJFGZZLHUHJ-KMFTYDHNSA-N 1 0 406.530 4.267 20 30 HIEDRO COc1ccc2[nH]cc(C3CC[NH+]([C@@H]4CCN(c5ccc(C#N)cc5)C4=O)CC3)c2c1 ZINC000064483076 851910438 /nfs/dbraw/zinc/91/04/38/851910438.db2.gz YNMUYCFJKZHZHL-XMMPIXPASA-N 1 0 414.509 4.033 20 30 HIEDRO COc1ccc2c(c1)C[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCCCC3)CC2 ZINC000065163388 852082656 /nfs/dbraw/zinc/08/26/56/852082656.db2.gz KBCATDRWMRDZJN-UHFFFAOYSA-N 1 0 409.555 4.284 20 30 HIEDRO C=CCc1cc(CNC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc(OC)c1OC ZINC000065290711 852101034 /nfs/dbraw/zinc/10/10/34/852101034.db2.gz GOYTYPQDJATMKE-GCJKJVERSA-N 1 0 423.557 4.067 20 30 HIEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)cc2)CC1 ZINC000065749822 852243963 /nfs/dbraw/zinc/24/39/63/852243963.db2.gz NOTZTVBUOJCSNY-UHFFFAOYSA-N 1 0 424.548 4.264 20 30 HIEDRO Cc1ccc(-c2cnc(CCC(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)o2)cc1 ZINC000065930767 852320963 /nfs/dbraw/zinc/32/09/63/852320963.db2.gz VGBRDGFYMPPYJR-UHFFFAOYSA-N 1 0 416.525 4.045 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCCc1nc2ccccc2s1 ZINC000065931030 852322099 /nfs/dbraw/zinc/32/20/99/852322099.db2.gz MFEQUKMPRWUEEQ-UHFFFAOYSA-N 1 0 420.582 4.471 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000065930975 852322386 /nfs/dbraw/zinc/32/23/86/852322386.db2.gz OFVJJRPRQJBLDS-UHFFFAOYSA-N 1 0 419.500 4.480 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000097327568 852602742 /nfs/dbraw/zinc/60/27/42/852602742.db2.gz PLCUGIVAXJWORQ-NHCUHLMSSA-N 1 0 415.459 4.271 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+](Cc2cccs2)C[C@H]2CCCO2)sc2c1CCC2 ZINC000105422281 852704568 /nfs/dbraw/zinc/70/45/68/852704568.db2.gz HTOKXJYWSHPUJW-OAHLLOKOSA-N 1 0 415.584 4.180 20 30 HIEDRO CC[NH+](CC)CCN(C(=O)c1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000108703964 852874280 /nfs/dbraw/zinc/87/42/80/852874280.db2.gz CUEZNHDBMBGIIV-UHFFFAOYSA-N 1 0 400.320 4.309 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@H](Nc3ccccc3)C2)sc2c1CCCCC2 ZINC000110547013 853115937 /nfs/dbraw/zinc/11/59/37/853115937.db2.gz HRFDKNZFYKSQTN-SFHVURJKSA-N 1 0 408.571 4.404 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@@H](Nc3ccccc3)C2)sc2c1CCCCC2 ZINC000110547011 853116243 /nfs/dbraw/zinc/11/62/43/853116243.db2.gz HRFDKNZFYKSQTN-GOSISDBHSA-N 1 0 408.571 4.404 20 30 HIEDRO CC(C)(C)c1ccccc1NC(=O)CON=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000116600134 853319567 /nfs/dbraw/zinc/31/95/67/853319567.db2.gz QKBNTXURIMUQFR-UHFFFAOYSA-N 1 0 422.573 4.246 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C(=S)NC(C)(C)C)cc1 ZINC000127692457 853371244 /nfs/dbraw/zinc/37/12/44/853371244.db2.gz VWIZUMHARZWBLN-UHFFFAOYSA-O 1 0 400.524 4.080 20 30 HIEDRO C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CCC[C@@H]2C(C)C)c1=S ZINC000139933614 853426591 /nfs/dbraw/zinc/42/65/91/853426591.db2.gz ZGVSYPKVLCJJBH-APWZRJJASA-N 1 0 400.548 4.190 20 30 HIEDRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCC#N)[NH+](C)C ZINC000144713946 853539645 /nfs/dbraw/zinc/53/96/45/853539645.db2.gz YEXSMPKVAJCHTA-KRWDZBQOSA-N 1 0 402.391 4.165 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)NC(C)(C)CC)cc1 ZINC000186979777 853669179 /nfs/dbraw/zinc/66/91/79/853669179.db2.gz CQGYFOLXIXFFLF-UHFFFAOYSA-O 1 0 400.524 4.162 20 30 HIEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000195604847 853708988 /nfs/dbraw/zinc/70/89/88/853708988.db2.gz RMZPXRIFGFDUNZ-UHFFFAOYSA-N 1 0 415.459 4.152 20 30 HIEDRO Cc1nc(-c2cccc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c2)oc1C ZINC000195635547 853728877 /nfs/dbraw/zinc/72/88/77/853728877.db2.gz ZPHODWVKASXDRZ-UHFFFAOYSA-N 1 0 417.513 4.426 20 30 HIEDRO N#Cc1cccc(OCc2ccoc2C(=O)O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000210172728 853813585 /nfs/dbraw/zinc/81/35/85/853813585.db2.gz BNBKASORDFVYMF-QFIPXVFZSA-N 1 0 402.450 4.162 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)CC1 ZINC000216943363 853859578 /nfs/dbraw/zinc/85/95/78/853859578.db2.gz HOEHEFGDCOZBJK-UHFFFAOYSA-N 1 0 422.554 4.139 20 30 HIEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000229933856 853893648 /nfs/dbraw/zinc/89/36/48/853893648.db2.gz WCKTXRRTVKZUBB-RBUKOAKNSA-N 1 0 402.498 4.343 20 30 HIEDRO C=CCN1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000236567944 853898521 /nfs/dbraw/zinc/89/85/21/853898521.db2.gz MUMJQOSYEATGGL-UHFFFAOYSA-N 1 0 420.307 4.357 20 30 HIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)ccc1OC ZINC000236896088 853933979 /nfs/dbraw/zinc/93/39/79/853933979.db2.gz AFSJWMSUBYKXHS-LJQANCHMSA-N 1 0 404.470 4.248 20 30 HIEDRO CCOc1c(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)nn1CC(C)C ZINC000237026345 853953533 /nfs/dbraw/zinc/95/35/33/853953533.db2.gz DTJIFUZPRHKOQB-LJQANCHMSA-N 1 0 413.541 4.016 20 30 HIEDRO C=CCOc1ccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)cc1OC ZINC000237141411 853971723 /nfs/dbraw/zinc/97/17/23/853971723.db2.gz LFZOLRISHWCNOM-UHFFFAOYSA-N 1 0 419.319 4.141 20 30 HIEDRO C=CCc1cc(C[NH2+]Cc2ccc(N(C)C(=O)c3ccncc3)cc2)cc(OC)c1O ZINC000237247357 853989931 /nfs/dbraw/zinc/98/99/31/853989931.db2.gz ITWBSFNLKLRFAL-UHFFFAOYSA-N 1 0 417.509 4.091 20 30 HIEDRO COc1cc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc(Cl)c1OC ZINC000237426607 854030570 /nfs/dbraw/zinc/03/05/70/854030570.db2.gz YLNUQWCIIFRVJA-INIZCTEOSA-N 1 0 403.885 4.127 20 30 HIEDRO N#CCCn1cc(C[NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)c(-c2ccccc2)n1 ZINC000237759354 854091066 /nfs/dbraw/zinc/09/10/66/854091066.db2.gz QVRHXVOEFOOEAL-JOCHJYFZSA-N 1 0 403.505 4.361 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2cccnc2OC2CCCC2)c(-c2ccccc2)n1 ZINC000237831750 854105626 /nfs/dbraw/zinc/10/56/26/854105626.db2.gz APDLKGYYDAPWJK-UHFFFAOYSA-N 1 0 401.514 4.470 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2ccccc2N2CCOCC2)c1 ZINC000237838558 854106597 /nfs/dbraw/zinc/10/65/97/854106597.db2.gz FOQFYEZQJIMLGK-UHFFFAOYSA-N 1 0 413.521 4.264 20 30 HIEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)c(-c2ccccc2)n1 ZINC000237861190 854110863 /nfs/dbraw/zinc/11/08/63/854110863.db2.gz YLOXPRRACVMIHX-IBGZPJMESA-N 1 0 403.505 4.219 20 30 HIEDRO CCCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)NC2CCCCC2)cc1 ZINC000274825600 854281135 /nfs/dbraw/zinc/28/11/35/854281135.db2.gz YKNCOBKOHIOSAG-UHFFFAOYSA-O 1 0 400.568 4.393 20 30 HIEDRO N#Cc1cnc2ccc(Cl)cc2c1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000301517942 854411371 /nfs/dbraw/zinc/41/13/71/854411371.db2.gz DGSJHNKCGGWIDO-UHFFFAOYSA-N 1 0 406.917 4.397 20 30 HIEDRO Cc1cc(C)c2ncc(C#N)c(NCc3ccccc3C[NH+]3CCC(O)CC3)c2c1 ZINC000301766070 854462338 /nfs/dbraw/zinc/46/23/38/854462338.db2.gz NRJDUMQMAOZPCC-UHFFFAOYSA-N 1 0 400.526 4.292 20 30 HIEDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1F ZINC000302748294 854620740 /nfs/dbraw/zinc/62/07/40/854620740.db2.gz CKOAPGFOJSRZEA-HNNXBMFYSA-N 1 0 424.476 4.055 20 30 HIEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000303144791 854783464 /nfs/dbraw/zinc/78/34/64/854783464.db2.gz FDFGCIOGVWBXTD-HSZRJFAPSA-N 1 0 403.526 4.228 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)CCCSc2ccc(Br)cc2)CC1 ZINC000303248294 854834626 /nfs/dbraw/zinc/83/46/26/854834626.db2.gz BFHXFAUBUNRJFM-UHFFFAOYSA-N 1 0 411.409 4.478 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000303303483 854861696 /nfs/dbraw/zinc/86/16/96/854861696.db2.gz DENDUDMFDWWYMN-GOSISDBHSA-N 1 0 402.608 4.073 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3Cl)c2C)CC1 ZINC000303305613 854862384 /nfs/dbraw/zinc/86/23/84/854862384.db2.gz QTOHHJUPZYTYDM-UHFFFAOYSA-N 1 0 421.372 4.105 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000303343377 854883148 /nfs/dbraw/zinc/88/31/48/854883148.db2.gz MAWQGOJNZQCWIF-GOSISDBHSA-N 1 0 408.571 4.081 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000303435151 854935473 /nfs/dbraw/zinc/93/54/73/854935473.db2.gz GSVMYPJNBGEPJG-NHCUHLMSSA-N 1 0 415.459 4.271 20 30 HIEDRO Cc1ccc(C#N)cc1NC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000303626687 855085821 /nfs/dbraw/zinc/08/58/21/855085821.db2.gz XXJJCJKINIQDLH-SFHVURJKSA-N 1 0 402.420 4.282 20 30 HIEDRO C=CCc1ccc(OCC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1 ZINC000303775115 855191054 /nfs/dbraw/zinc/19/10/54/855191054.db2.gz RKBZRMGVIQZZAM-NFBKMPQASA-N 1 0 422.569 4.314 20 30 HIEDRO Cc1nccn1-c1ccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1F ZINC000303877379 855265584 /nfs/dbraw/zinc/26/55/84/855265584.db2.gz INBHEOVYBFRHDY-UHFFFAOYSA-N 1 0 407.371 4.145 20 30 HIEDRO COc1ccc(C2(CNC(=[NH2+])Nc3ccc(OC(F)(F)F)cc3)CCOCC2)cc1 ZINC000303882803 855268657 /nfs/dbraw/zinc/26/86/57/855268657.db2.gz LVQDGGIKYKEFCU-UHFFFAOYSA-N 1 0 423.435 4.069 20 30 HIEDRO [NH2+]=C(NCc1ccccc1OCc1ccccc1)Nc1ccc2c(c1)OCCCO2 ZINC000303884177 855269661 /nfs/dbraw/zinc/26/96/61/855269661.db2.gz MRLIUZYMYLUADR-UHFFFAOYSA-N 1 0 403.482 4.354 20 30 HIEDRO Cc1ccc(NC(=[NH2+])NCCCN(Cc2cccnc2)C(=O)OC(C)(C)C)cc1C ZINC000303899239 855276287 /nfs/dbraw/zinc/27/62/87/855276287.db2.gz RLELDGPIWSOANX-UHFFFAOYSA-N 1 0 411.550 4.252 20 30 HIEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1ccccc1CN1CCCC1=O ZINC000303900772 855277358 /nfs/dbraw/zinc/27/73/58/855277358.db2.gz SHPYHRKWPTUZLO-UHFFFAOYSA-N 1 0 406.574 4.153 20 30 HIEDRO Cc1ccoc1C(=O)NCCC[NH+]=C(NCc1ccc(C)cc1)Nc1ccccc1 ZINC000304254373 855355617 /nfs/dbraw/zinc/35/56/17/855355617.db2.gz CUMRTGONQOKZNN-UHFFFAOYSA-N 1 0 404.514 4.083 20 30 HIEDRO C[C@@H](NC(=[NH2+])NCCCC(=O)N1Cc2ccccc2C1)c1ccc(Cl)cc1Cl ZINC000304755407 855357889 /nfs/dbraw/zinc/35/78/89/855357889.db2.gz MSFSVVUIBJUPGP-CQSZACIVSA-N 1 0 419.356 4.281 20 30 HIEDRO [NH2+]=C(NCCCc1ccc(Br)cc1F)Nc1ccc2c(c1)OCCCO2 ZINC000304764508 855358565 /nfs/dbraw/zinc/35/85/65/855358565.db2.gz YBRQOSOPQYGENB-UHFFFAOYSA-N 1 0 422.298 4.109 20 30 HIEDRO [NH2+]=C(NCC#Cc1cccc(C(F)(F)F)c1)Nc1ccccc1OC(F)(F)F ZINC000305174487 855359593 /nfs/dbraw/zinc/35/95/93/855359593.db2.gz AMQIHHDUNJPUPZ-UHFFFAOYSA-N 1 0 401.310 4.382 20 30 HIEDRO COc1ccc(OC(F)F)c(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000305225012 855359967 /nfs/dbraw/zinc/35/99/67/855359967.db2.gz KIEABPYATDQANR-UHFFFAOYSA-N 1 0 405.323 4.122 20 30 HIEDRO [NH2+]=C(NCc1cc(F)ccc1Br)Nc1ccccc1OC(F)(F)F ZINC000305244346 855360827 /nfs/dbraw/zinc/36/08/27/855360827.db2.gz SJKCESIHNQSWCJ-UHFFFAOYSA-N 1 0 406.177 4.414 20 30 HIEDRO [NH2+]=C(NCc1ccccc1OCC(F)(F)F)Nc1ccccc1OC(F)(F)F ZINC000305258286 855360963 /nfs/dbraw/zinc/36/09/63/855360963.db2.gz XDFBNDFONYQHMP-UHFFFAOYSA-N 1 0 407.314 4.453 20 30 HIEDRO [NH2+]=C(NCc1cccc(OCC(F)(F)F)c1)Nc1ccccc1OC(F)(F)F ZINC000305239943 855361042 /nfs/dbraw/zinc/36/10/42/855361042.db2.gz QNGVSXNADBSRKQ-UHFFFAOYSA-N 1 0 407.314 4.453 20 30 HIEDRO CC(C)(C)OC(=O)C1CCC(NC(=[NH2+])Nc2ccccc2OC(F)(F)F)CC1 ZINC000305741971 855361167 /nfs/dbraw/zinc/36/11/67/855361167.db2.gz GRIRAQUJFQBZHO-UHFFFAOYSA-N 1 0 401.429 4.212 20 30 HIEDRO [NH2+]=C(NCCc1coc(-c2ccc(F)cc2)n1)Nc1ccccc1OC(F)(F)F ZINC000305253820 855361174 /nfs/dbraw/zinc/36/11/74/855361174.db2.gz VWEODAXMZQIJAW-UHFFFAOYSA-N 1 0 408.355 4.349 20 30 HIEDRO [NH2+]=C(NCCCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(OC(F)(F)F)cc1 ZINC000305808206 855362024 /nfs/dbraw/zinc/36/20/24/855362024.db2.gz HLWZZGYURQHRLJ-UHFFFAOYSA-N 1 0 423.370 4.134 20 30 HIEDRO C=CCC[C@@H](CO)[NH2+]Cc1cc(Br)c(OCC)c(Br)c1 ZINC000320187095 855386922 /nfs/dbraw/zinc/38/69/22/855386922.db2.gz APQYPLHEFVKKLN-LBPRGKRZSA-N 1 0 407.146 4.027 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000409570793 855544935 /nfs/dbraw/zinc/54/49/35/855544935.db2.gz ODGIUEUMVOXGAI-CQSZACIVSA-N 1 0 400.336 4.016 20 30 HIEDRO CCN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000409815106 855669253 /nfs/dbraw/zinc/66/92/53/855669253.db2.gz YXRYASIZHQNAGL-XXBNENTESA-N 1 0 413.525 4.042 20 30 HIEDRO N#CC1(CCC[N@H+]2CCC[C@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000410417402 855987270 /nfs/dbraw/zinc/98/72/70/855987270.db2.gz HMSFLJCJEWGECU-SFHVURJKSA-N 1 0 410.345 4.497 20 30 HIEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Nc3ccc(C#N)cc3Cl)cc2)C[C@H](C)O1 ZINC000426165683 856148428 /nfs/dbraw/zinc/14/84/28/856148428.db2.gz JKOPTXUAPNILOX-IYBDPMFKSA-N 1 0 412.921 4.143 20 30 HIEDRO C[NH+]1CCC(N(Cc2ccccc2Br)C(=O)c2sccc2C#N)CC1 ZINC000426799257 856485864 /nfs/dbraw/zinc/48/58/64/856485864.db2.gz KNVHEGZKUYBCOV-UHFFFAOYSA-N 1 0 418.360 4.119 20 30 HIEDRO C=CCC[C@@H](C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000427231318 856726404 /nfs/dbraw/zinc/72/64/04/856726404.db2.gz KIELGCUDTODWTE-XMMPIXPASA-N 1 0 407.558 4.001 20 30 HIEDRO CC[N@H+](CCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)CCC(F)(F)F ZINC000427260021 856741137 /nfs/dbraw/zinc/74/11/37/856741137.db2.gz JFMHZXJUVFUUKV-UHFFFAOYSA-N 1 0 423.410 4.494 20 30 HIEDRO C=CC[N@@H+](C)Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 ZINC000428379721 857183724 /nfs/dbraw/zinc/18/37/24/857183724.db2.gz KKYLYYVWKDFILY-UHFFFAOYSA-N 1 0 408.420 4.349 20 30 HIEDRO N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(C[N@H+]4CC[C@@H](O)C4)c3)c2)cc1 ZINC000428552733 857261448 /nfs/dbraw/zinc/26/14/48/857261448.db2.gz VOVJYVRJXIUGRK-XMMPIXPASA-N 1 0 412.493 4.121 20 30 HIEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C2)nc1 ZINC000428802787 857349954 /nfs/dbraw/zinc/34/99/54/857349954.db2.gz JWFRFMVYCRTYKO-NRFANRHFSA-N 1 0 412.493 4.102 20 30 HIEDRO CC(C)CCN(CCC#N)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000428904844 857405252 /nfs/dbraw/zinc/40/52/52/857405252.db2.gz GDNNFZZZCGUVHW-UHFFFAOYSA-N 1 0 413.566 4.295 20 30 HIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1OCCc2sccc21 ZINC000429147525 857530964 /nfs/dbraw/zinc/53/09/64/857530964.db2.gz AGNBAPAMBWUUFT-ZUOKHONESA-N 1 0 415.584 4.181 20 30 HIEDRO N#Cc1cc(Cl)cc(Br)c1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000429205399 857552663 /nfs/dbraw/zinc/55/26/63/857552663.db2.gz LIDGASVIIZFRKH-UHFFFAOYSA-N 1 0 405.727 4.446 20 30 HIEDRO CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000429411667 857651677 /nfs/dbraw/zinc/65/16/77/857651677.db2.gz YCXMCGCPIHWQSJ-MRXNPFEDSA-N 1 0 404.333 4.234 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000437636804 862964639 /nfs/dbraw/zinc/96/46/39/862964639.db2.gz OZBZZNUSLHZXDV-VWNXMTODSA-N 1 0 407.558 4.196 20 30 HIEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3cccc(OCc4cccc(C#N)c4)c3)C2)nc1 ZINC000430157245 858057106 /nfs/dbraw/zinc/05/71/06/858057106.db2.gz PSRXTLFSWRHERW-XMMPIXPASA-N 1 0 410.477 4.057 20 30 HIEDRO C=CCN1C(=O)N(Cc2ccccc2C[N@@H+](C)C(C)C)C(=O)[C@H]1Cc1ccccc1 ZINC000430749279 858287336 /nfs/dbraw/zinc/28/73/36/858287336.db2.gz ULYLKDOSFJQXAR-HSZRJFAPSA-N 1 0 405.542 4.088 20 30 HIEDRO C[C@@H]1C[C@H](N(C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000430826151 858318992 /nfs/dbraw/zinc/31/89/92/858318992.db2.gz GAGAMBYIDHBOMZ-XMSQKQJNSA-N 1 0 401.514 4.093 20 30 HIEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1cccc(SCC#N)c1)c1ccccc1O2 ZINC000431168600 858484013 /nfs/dbraw/zinc/48/40/13/858484013.db2.gz POBNXYALOUKNHC-FQEVSTJZSA-N 1 0 407.539 4.020 20 30 HIEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@H](CCCC#N)c3ccccc3)cc2)CC1 ZINC000431320817 858563673 /nfs/dbraw/zinc/56/36/73/858563673.db2.gz OMAHOLYPDPTHLV-XMMPIXPASA-N 1 0 420.557 4.394 20 30 HIEDRO C=CCN1C(=O)N(C2CC[NH+]([C@H](C)c3ccccc3)CC2)C(=O)[C@H]1Cc1ccccc1 ZINC000431408730 858600555 /nfs/dbraw/zinc/60/05/55/858600555.db2.gz WLZZPCRENMJQTK-HYBUGGRVSA-N 1 0 417.553 4.274 20 30 HIEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000431693228 858743604 /nfs/dbraw/zinc/74/36/04/858743604.db2.gz RXBHEIVYLWTZAV-NRFANRHFSA-N 1 0 405.546 4.385 20 30 HIEDRO C=CCOc1ccccc1CNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431920999 858871319 /nfs/dbraw/zinc/87/13/19/858871319.db2.gz AIMNTVONIZBOEM-UHFFFAOYSA-N 1 0 419.569 4.449 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000467608351 881414390 /nfs/dbraw/zinc/41/43/90/881414390.db2.gz NPZVXAWAZCPJCW-MOPGFXCFSA-N 1 0 406.486 4.060 20 30 HIEDRO N#CCCC[C@@H]([NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000433015727 859479397 /nfs/dbraw/zinc/47/93/97/859479397.db2.gz YHWGORSBAHIYLV-JOCHJYFZSA-N 1 0 410.949 4.013 20 30 HIEDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@@H](CCCC#N)c1ccccc1 ZINC000433019974 859481814 /nfs/dbraw/zinc/48/18/14/859481814.db2.gz LXRCYCWIZIWOQB-QFIPXVFZSA-N 1 0 401.514 4.452 20 30 HIEDRO COc1ccc(C[NH+]2CCC(c3nc(-c4ccccc4OC)no3)CC2)cc1C#N ZINC000433022137 859483012 /nfs/dbraw/zinc/48/30/12/859483012.db2.gz IXCCOLFWHGRLBD-UHFFFAOYSA-N 1 0 404.470 4.005 20 30 HIEDRO Cc1cc(NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)n(-c2ccccc2F)n1 ZINC000433022794 859484572 /nfs/dbraw/zinc/48/45/72/859484572.db2.gz MAVGYQRVHCVIFQ-HXUWFJFHSA-N 1 0 405.477 4.283 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]CC2(CO)CC3(CCC3)C2)cc1OC ZINC000433211290 859568386 /nfs/dbraw/zinc/56/83/86/859568386.db2.gz XOSXUKUEWAVROV-UHFFFAOYSA-N 1 0 410.352 4.055 20 30 HIEDRO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000433316091 859633705 /nfs/dbraw/zinc/63/37/05/859633705.db2.gz HAONSHHLRDDYES-JOCHJYFZSA-N 1 0 418.520 4.065 20 30 HIEDRO CC(C)(C)c1ccc(OCC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000433316171 859634164 /nfs/dbraw/zinc/63/41/64/859634164.db2.gz FBGNTJGCRHZKRS-UHFFFAOYSA-N 1 0 403.530 4.325 20 30 HIEDRO COc1ccc2c(c1)CCC[C@@H]2C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433334117 859649595 /nfs/dbraw/zinc/64/95/95/859649595.db2.gz GMCCHUDRIYSKPI-HXUWFJFHSA-N 1 0 401.514 4.077 20 30 HIEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000433339736 859653627 /nfs/dbraw/zinc/65/36/27/859653627.db2.gz BOUPMDODROMKGC-QPPBQGQZSA-N 1 0 401.514 4.116 20 30 HIEDRO C[N@@H+]1CC[C@H](CNC(=O)[C@H](C#N)CCc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433361287 859660620 /nfs/dbraw/zinc/66/06/20/859660620.db2.gz CGYDKQVIEORBLJ-NNMXDRDESA-N 1 0 413.924 4.361 20 30 HIEDRO C[C@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000467690245 881483700 /nfs/dbraw/zinc/48/37/00/881483700.db2.gz COCQLABXQKSCOL-AVRDEDQJSA-N 1 0 412.493 4.138 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)CN2CCC(F)(c3ccccc3)CC2)cc1 ZINC000434491786 860370695 /nfs/dbraw/zinc/37/06/95/860370695.db2.gz KTTYIYJKBQOMAP-UHFFFAOYSA-N 1 0 409.505 4.293 20 30 HIEDRO CCC[N@H+](CCC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1ccc(C#N)cc1 ZINC000434573104 860409596 /nfs/dbraw/zinc/40/95/96/860409596.db2.gz HKWPFHRSKRODSL-UHFFFAOYSA-N 1 0 415.921 4.470 20 30 HIEDRO CCn1nccc1C1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000434756998 860483485 /nfs/dbraw/zinc/48/34/85/860483485.db2.gz OMMVFAFOPPBVRC-FQEVSTJZSA-N 1 0 407.562 4.035 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)c(-c2ccncc2)n1 ZINC000435129326 860654521 /nfs/dbraw/zinc/65/45/21/860654521.db2.gz JEGPWXDIECVUJD-UHFFFAOYSA-N 1 0 403.505 4.453 20 30 HIEDRO N#Cc1cc(F)ccc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000435173394 860677857 /nfs/dbraw/zinc/67/78/57/860677857.db2.gz LCESEQQLFBMLJA-QGZVFWFLSA-N 1 0 406.383 4.112 20 30 HIEDRO C=CCOc1ccccc1C(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435294567 860724202 /nfs/dbraw/zinc/72/42/02/860724202.db2.gz KNKKGPCSNPZHRF-OAQYLSRUSA-N 1 0 416.525 4.456 20 30 HIEDRO N#CCCCn1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c2ccccc21 ZINC000435352530 860753916 /nfs/dbraw/zinc/75/39/16/860753916.db2.gz FYXXNIVOEUROLA-QFIPXVFZSA-N 1 0 404.514 4.495 20 30 HIEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CC2)cc1 ZINC000435567823 860888216 /nfs/dbraw/zinc/88/82/16/860888216.db2.gz RKUOFBQSEXMDQJ-UHFFFAOYSA-N 1 0 422.529 4.094 20 30 HIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000435741457 861022574 /nfs/dbraw/zinc/02/25/74/861022574.db2.gz PFGGTPXYFOJWNQ-AUSIDOKSSA-N 1 0 412.486 4.253 20 30 HIEDRO CN(c1ccccc1)c1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 ZINC000435781971 861056151 /nfs/dbraw/zinc/05/61/51/861056151.db2.gz LVIKBMBEHMICDL-QHCPKHFHSA-N 1 0 411.509 4.006 20 30 HIEDRO C=CCOc1cccc(NC(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2OCC)c1 ZINC000437837344 863191292 /nfs/dbraw/zinc/19/12/92/863191292.db2.gz JAAVLCLJPNAAAR-UHFFFAOYSA-N 1 0 410.518 4.046 20 30 HIEDRO C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000437960897 863331607 /nfs/dbraw/zinc/33/16/07/863331607.db2.gz WWOBRSLXRJIJGD-FCEUIQTBSA-N 1 0 421.566 4.033 20 30 HIEDRO COc1ccc(OC(F)F)c(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000438498619 863919397 /nfs/dbraw/zinc/91/93/97/863919397.db2.gz YMSHMEHNCLDKFV-UHFFFAOYSA-N 1 0 403.429 4.043 20 30 HIEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000438597098 864025599 /nfs/dbraw/zinc/02/55/99/864025599.db2.gz GHCUJEDFVCQEBA-UHFFFAOYSA-N 1 0 414.456 4.288 20 30 HIEDRO C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)c1 ZINC000438671087 864132105 /nfs/dbraw/zinc/13/21/05/864132105.db2.gz MSDNJYODIOZOQU-UHFFFAOYSA-N 1 0 407.514 4.061 20 30 HIEDRO Cc1cc(C#N)ccc1C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000438927157 864406376 /nfs/dbraw/zinc/40/63/76/864406376.db2.gz PPDKHRNBMFKDEB-HXUWFJFHSA-N 1 0 415.459 4.393 20 30 HIEDRO C[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000439618145 864940980 /nfs/dbraw/zinc/94/09/80/864940980.db2.gz XMFWVGDJBZYZJZ-LZBRWLDZSA-N 1 0 401.576 4.009 20 30 HIEDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000439618142 864941274 /nfs/dbraw/zinc/94/12/74/864941274.db2.gz XMFWVGDJBZYZJZ-JECZMYCTSA-N 1 0 401.576 4.009 20 30 HIEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000440314346 865583801 /nfs/dbraw/zinc/58/38/01/865583801.db2.gz MKQHSGMSCSPTGJ-NRFANRHFSA-N 1 0 401.934 4.104 20 30 HIEDRO N#Cc1cnc2c(Br)cccc2c1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000440638880 865853358 /nfs/dbraw/zinc/85/33/58/865853358.db2.gz RBBWKDMGCZPSLZ-IFXJQAMLSA-N 1 0 411.347 4.322 20 30 HIEDRO COc1cccc(OC)c1Oc1ccc(C[NH2+]Cc2ccc(C#N)c(OC)c2)cn1 ZINC000440806708 865925948 /nfs/dbraw/zinc/92/59/48/865925948.db2.gz HAMUBXROVFLSDH-UHFFFAOYSA-N 1 0 405.454 4.061 20 30 HIEDRO C=CCC[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000440865615 865965225 /nfs/dbraw/zinc/96/52/25/865965225.db2.gz IJVTUEICELZSOM-SFHVURJKSA-N 1 0 413.484 4.123 20 30 HIEDRO N#CC1CCC(CNC(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000441006126 866077625 /nfs/dbraw/zinc/07/76/25/866077625.db2.gz BRFXBHODRXJQEN-UHFFFAOYSA-N 1 0 410.606 4.350 20 30 HIEDRO CSc1ccccc1[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000441028904 866094112 /nfs/dbraw/zinc/09/41/12/866094112.db2.gz IDNOLIXPLHYLDH-SFHVURJKSA-N 1 0 408.571 4.259 20 30 HIEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441076076 866168459 /nfs/dbraw/zinc/16/84/59/866168459.db2.gz QNRNOGSMLCZZTI-CQSZACIVSA-N 1 0 411.449 4.301 20 30 HIEDRO CCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000441544676 866620878 /nfs/dbraw/zinc/62/08/78/866620878.db2.gz KMTPVPBTTDZPFK-PGRDOPGGSA-N 1 0 401.514 4.266 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)CC1 ZINC000442268958 867298698 /nfs/dbraw/zinc/29/86/98/867298698.db2.gz OGQXLRPGNGKRBF-UHFFFAOYSA-N 1 0 423.582 4.160 20 30 HIEDRO COc1cc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)ccc1C#N ZINC000442881942 867714030 /nfs/dbraw/zinc/71/40/30/867714030.db2.gz ORQLQPPJLYWCJX-UHFFFAOYSA-N 1 0 401.869 4.210 20 30 HIEDRO CC[N@H+](Cc1c[nH]c2ccccc12)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000442886498 867716966 /nfs/dbraw/zinc/71/69/66/867716966.db2.gz SJJNASSNKDFCRA-SFHVURJKSA-N 1 0 404.514 4.334 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)Cc1ccccc1Cl ZINC000443470132 868057859 /nfs/dbraw/zinc/05/78/59/868057859.db2.gz AMRHFFOABKOIJB-UHFFFAOYSA-N 1 0 418.994 4.050 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000443609483 868175377 /nfs/dbraw/zinc/17/53/77/868175377.db2.gz ZOTQNNVYIIGCNT-KRWDZBQOSA-N 1 0 414.619 4.023 20 30 HIEDRO N#Cc1cccc(OC2CC[NH+](C[C@H](O)Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000443633803 868212748 /nfs/dbraw/zinc/21/27/48/868212748.db2.gz QJQOCKKLPSUYGS-GOSISDBHSA-N 1 0 404.432 4.024 20 30 HIEDRO Cc1ccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cc1S(C)(=O)=O ZINC000444000328 868520864 /nfs/dbraw/zinc/52/08/64/868520864.db2.gz VQCCKTNIZUWEDN-UHFFFAOYSA-N 1 0 420.534 4.139 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1ccc2[nH]c3ccccc3c(=O)c2c1)C(C)C ZINC000444020203 868546808 /nfs/dbraw/zinc/54/68/08/868546808.db2.gz KHXDRSNGSJMECP-QHCPKHFHSA-N 1 0 403.526 4.110 20 30 HIEDRO N#CCCn1cc(C(=O)C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c2ccccc21 ZINC000444169977 868647576 /nfs/dbraw/zinc/64/75/76/868647576.db2.gz SHYGVHNAYDTGRE-NRFANRHFSA-N 1 0 401.510 4.276 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1 ZINC000444174823 868649259 /nfs/dbraw/zinc/64/92/59/868649259.db2.gz HTIMHQMFVFRSAO-UPVQGACJSA-N 1 0 419.569 4.477 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC4(CCCCC4)C3)sc2C1 ZINC000444190425 868658180 /nfs/dbraw/zinc/65/81/80/868658180.db2.gz GYDFUUPDHAKFET-INIZCTEOSA-N 1 0 401.576 4.108 20 30 HIEDRO CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)C12CCCCC2 ZINC000444229759 868679000 /nfs/dbraw/zinc/67/90/00/868679000.db2.gz XLKIJTYXWGRVMX-UXHICEINSA-N 1 0 401.576 4.300 20 30 HIEDRO CCO[C@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)C12CCCCC2 ZINC000444229757 868679292 /nfs/dbraw/zinc/67/92/92/868679292.db2.gz XLKIJTYXWGRVMX-PMACEKPBSA-N 1 0 401.576 4.300 20 30 HIEDRO C[NH+]1CCC(Oc2ccc(NC(=O)c3cn(CCCC#N)c4ccccc34)cn2)CC1 ZINC000444264786 868706340 /nfs/dbraw/zinc/70/63/40/868706340.db2.gz FCHRJIMYTHVUSV-UHFFFAOYSA-N 1 0 417.513 4.065 20 30 HIEDRO N#CC(CC[N@@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1)(c1ccccc1)c1ccccc1 ZINC000444666764 868945584 /nfs/dbraw/zinc/94/55/84/868945584.db2.gz RZNGQJTVZRZJMJ-SQJMNOBHSA-N 1 0 413.565 4.362 20 30 HIEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccc(OCc2ccccc2)c1 ZINC000444713439 868969254 /nfs/dbraw/zinc/96/92/54/868969254.db2.gz AOHWRQGAPJLWGF-IBGZPJMESA-N 1 0 420.534 4.262 20 30 HIEDRO O=C(C[NH2+][C@@H]1CCC[C@H]1c1ccccc1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000445995164 869958823 /nfs/dbraw/zinc/95/88/23/869958823.db2.gz YHLNRDQZITXBQI-LEWJYISDSA-N 1 0 400.444 4.099 20 30 HIEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000446004925 869969124 /nfs/dbraw/zinc/96/91/24/869969124.db2.gz XCTWHHWTODJGRM-UXHICEINSA-N 1 0 401.432 4.119 20 30 HIEDRO N#Cc1cc(F)c(C(=O)NCCCC[NH+]2CCC(Cc3ccccc3)CC2)c(F)c1 ZINC000446059170 870020809 /nfs/dbraw/zinc/02/08/09/870020809.db2.gz DRQKYGOOFSVYEO-UHFFFAOYSA-N 1 0 411.496 4.301 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)c1noc(-c2ccccc2)n1 ZINC000446066313 870025093 /nfs/dbraw/zinc/02/50/93/870025093.db2.gz AJAQEBSDCGLLPA-QGZVFWFLSA-N 1 0 424.574 4.396 20 30 HIEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)cccc21 ZINC000447722002 871666276 /nfs/dbraw/zinc/66/62/76/871666276.db2.gz HUQBIRLFYGUKIW-OAQYLSRUSA-N 1 0 414.465 4.383 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)c1C#N ZINC000447733419 871684177 /nfs/dbraw/zinc/68/41/77/871684177.db2.gz YMKJUVSUTCEVPA-LJQANCHMSA-N 1 0 408.527 4.190 20 30 HIEDRO N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2)cc1 ZINC000448196690 872082717 /nfs/dbraw/zinc/08/27/17/872082717.db2.gz AIKDTYVKYLNSRX-YKSBVNFPSA-N 1 0 401.510 4.439 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)c2ccccc2Br)CC1 ZINC000448206270 872100325 /nfs/dbraw/zinc/10/03/25/872100325.db2.gz UNGLXXSNXOMSDH-UHFFFAOYSA-N 1 0 408.384 4.066 20 30 HIEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448285562 872212394 /nfs/dbraw/zinc/21/23/94/872212394.db2.gz MKQFSBCFSXOZHG-KXBFYZLASA-N 1 0 408.464 4.359 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000460367214 873000316 /nfs/dbraw/zinc/00/03/16/873000316.db2.gz ASWOFQJXTGOCHQ-BLKABHOGSA-N 1 0 409.578 4.018 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460373814 873010515 /nfs/dbraw/zinc/01/05/15/873010515.db2.gz UNUKOFZXXXTYNF-XXTHSBEZSA-N 1 0 423.605 4.408 20 30 HIEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460373611 873010612 /nfs/dbraw/zinc/01/06/12/873010612.db2.gz DZWKDHATEFGFGD-GCJKJVERSA-N 1 0 404.562 4.236 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460374512 873011736 /nfs/dbraw/zinc/01/17/36/873011736.db2.gz IFJVAYMLEQADBI-GOSISDBHSA-N 1 0 415.557 4.444 20 30 HIEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000460381046 873021312 /nfs/dbraw/zinc/02/13/12/873021312.db2.gz AWVVUFPPVRDSGR-UHFFFAOYSA-N 1 0 422.964 4.282 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460546636 873249468 /nfs/dbraw/zinc/24/94/68/873249468.db2.gz VMSVSUAUGNEHQG-SJLPKXTDSA-N 1 0 415.969 4.246 20 30 HIEDRO Cc1ccc(-c2nnc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n2CC(C)C)o1 ZINC000460751145 873588356 /nfs/dbraw/zinc/58/83/56/873588356.db2.gz ZCVRAZPSVVRVGU-UHFFFAOYSA-N 1 0 418.545 4.087 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000460769261 873615923 /nfs/dbraw/zinc/61/59/23/873615923.db2.gz HNZNZPUHSARGNT-MXNKGDRCSA-N 1 0 409.578 4.018 20 30 HIEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000460777604 873630182 /nfs/dbraw/zinc/63/01/82/873630182.db2.gz HXAGDHNAADQVBE-UHFFFAOYSA-N 1 0 417.557 4.242 20 30 HIEDRO C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000460816655 873697798 /nfs/dbraw/zinc/69/77/98/873697798.db2.gz RVSKZONSEIHNNG-FQEVSTJZSA-N 1 0 415.626 4.057 20 30 HIEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460951348 873849520 /nfs/dbraw/zinc/84/95/20/873849520.db2.gz WCDJWIJWTBIBFZ-FQEVSTJZSA-N 1 0 402.546 4.017 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460963173 873860294 /nfs/dbraw/zinc/86/02/94/873860294.db2.gz XNSZZEBOLAGKJV-PKOBYXMFSA-N 1 0 415.969 4.150 20 30 HIEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460964155 873860576 /nfs/dbraw/zinc/86/05/76/873860576.db2.gz RKMPTPSMDYJXPE-JOCHJYFZSA-N 1 0 418.589 4.312 20 30 HIEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)c1 ZINC000468639517 882773311 /nfs/dbraw/zinc/77/33/11/882773311.db2.gz SLUJKSOEXYDWLH-AZGAKELHSA-N 1 0 417.553 4.386 20 30 HIEDRO N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)cc2)cc1 ZINC000461427730 874461688 /nfs/dbraw/zinc/46/16/88/874461688.db2.gz QGRMJKHUAQGMOY-OAQYLSRUSA-N 1 0 403.526 4.493 20 30 HIEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000461454169 874515077 /nfs/dbraw/zinc/51/50/77/874515077.db2.gz ZXDZFQVITKSIOA-SFHVURJKSA-N 1 0 407.489 4.438 20 30 HIEDRO N#C[C@@H]1CCC[C@@H]1NC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000461952174 875082449 /nfs/dbraw/zinc/08/24/49/875082449.db2.gz ZVHISGRDXNKOQQ-LPHOPBHVSA-N 1 0 409.361 4.293 20 30 HIEDRO CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000462018089 875135633 /nfs/dbraw/zinc/13/56/33/875135633.db2.gz YRPRSCXUJPJYRH-LJQANCHMSA-N 1 0 417.340 4.130 20 30 HIEDRO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc2)CC1 ZINC000462018088 875136287 /nfs/dbraw/zinc/13/62/87/875136287.db2.gz YRPRSCXUJPJYRH-IBGZPJMESA-N 1 0 417.340 4.130 20 30 HIEDRO C[C@H](c1ccsc1)N1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 ZINC000462460621 875566499 /nfs/dbraw/zinc/56/64/99/875566499.db2.gz TWZFJQLZXWXTMD-GOSISDBHSA-N 1 0 406.555 4.178 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)CCc2cccn2C)cc1OC ZINC000462733607 875807508 /nfs/dbraw/zinc/80/75/08/875807508.db2.gz JLPNCTUDNYQOLA-HNNXBMFYSA-N 1 0 407.352 4.472 20 30 HIEDRO COC(=O)CCCN1CCC([NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000462913052 875938422 /nfs/dbraw/zinc/93/84/22/875938422.db2.gz YSGONFOSXOSOOG-IBGZPJMESA-N 1 0 405.542 4.293 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1OCCCO)c1ccc(C#N)cc1 ZINC000462954622 875972384 /nfs/dbraw/zinc/97/23/84/875972384.db2.gz BUOHHEKVUXZHDX-GJZGRUSLSA-N 1 0 403.320 4.494 20 30 HIEDRO C[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000463189243 876247552 /nfs/dbraw/zinc/24/75/52/876247552.db2.gz KORFPUSSDCKOBH-INIZCTEOSA-N 1 0 405.477 4.063 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000463201304 876261271 /nfs/dbraw/zinc/26/12/71/876261271.db2.gz DMVJLHNUQFDQIP-UKAVVXHISA-N 1 0 415.603 4.282 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000463585483 876687931 /nfs/dbraw/zinc/68/79/31/876687931.db2.gz HAORCXCPEYVVKZ-UHFFFAOYSA-N 1 0 420.553 4.388 20 30 HIEDRO CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccc(C#N)cc1C(F)(F)F ZINC000463654147 876773830 /nfs/dbraw/zinc/77/38/30/876773830.db2.gz UXRYYJBUXTWRIR-UHFFFAOYSA-N 1 0 408.512 4.210 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000463704720 876823869 /nfs/dbraw/zinc/82/38/69/876823869.db2.gz DYSQTSIBZIENMQ-UHFFFAOYSA-N 1 0 412.555 4.104 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000463716296 876835880 /nfs/dbraw/zinc/83/58/80/876835880.db2.gz RGTQTJHAEJOPIS-UHFFFAOYSA-N 1 0 412.555 4.370 20 30 HIEDRO C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1cccc(OCC[NH+](C)C)c1 ZINC000469004271 883071248 /nfs/dbraw/zinc/07/12/48/883071248.db2.gz LMLJDGRKDNTMMF-IBGZPJMESA-N 1 0 420.557 4.383 20 30 HIEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000503281482 912262204 /nfs/dbraw/zinc/26/22/04/912262204.db2.gz FLRYNCKDVIPROS-FQEVSTJZSA-N 1 0 406.530 4.185 20 30 HIEDRO CCOc1ccc(CN(CCCn2ccnc2)C(=O)[C@@H](C)c2cccc(C#N)c2)cc1 ZINC000464561810 877778812 /nfs/dbraw/zinc/77/88/12/877778812.db2.gz XKZCOWTVOOHFBX-FQEVSTJZSA-N 1 0 416.525 4.376 20 30 HIEDRO Cc1ccc(CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@@H]2CCCO2)cc1 ZINC000464771214 878014274 /nfs/dbraw/zinc/01/42/74/878014274.db2.gz CIHDTTRZSQPQIH-QFIPXVFZSA-N 1 0 402.498 4.140 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464841078 878109548 /nfs/dbraw/zinc/10/95/48/878109548.db2.gz WFIUVVBNQVSCCY-UNMCSNQZSA-N 1 0 411.615 4.105 20 30 HIEDRO Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)ccc1Br ZINC000503356263 912330205 /nfs/dbraw/zinc/33/02/05/912330205.db2.gz QXWUFQJCVBSHRJ-UHFFFAOYSA-N 1 0 415.335 4.225 20 30 HIEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2cc(C#N)ccc2C)CC1 ZINC000503360103 912335698 /nfs/dbraw/zinc/33/56/98/912335698.db2.gz QMRVBVQJEDRQKV-QGZVFWFLSA-N 1 0 409.509 4.030 20 30 HIEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 ZINC000503369421 912348101 /nfs/dbraw/zinc/34/81/01/912348101.db2.gz GXCGQQDDXVEEFH-SFHVURJKSA-N 1 0 408.502 4.213 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000465395803 878832787 /nfs/dbraw/zinc/83/27/87/878832787.db2.gz ALVVSAWKUGGYTJ-FSSWDIPSSA-N 1 0 406.530 4.288 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cc(C#N)ccc1F)c1ccccc1Cl ZINC000465424964 878854731 /nfs/dbraw/zinc/85/47/31/878854731.db2.gz DFEGRAJCPXBWGJ-FQEVSTJZSA-N 1 0 402.901 4.233 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000465445581 878875757 /nfs/dbraw/zinc/87/57/57/878875757.db2.gz XOZINBCBGKCNDV-DNQXCXABSA-N 1 0 402.542 4.132 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000465515447 878961516 /nfs/dbraw/zinc/96/15/16/878961516.db2.gz NCKZSZOFSBTXJZ-RPWUZVMVSA-N 1 0 402.542 4.264 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000465591237 879074154 /nfs/dbraw/zinc/07/41/54/879074154.db2.gz FQOZVOHLTPSZQS-DNQXCXABSA-N 1 0 402.542 4.264 20 30 HIEDRO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)[NH+]2CCCC2)o1 ZINC000465807836 879424920 /nfs/dbraw/zinc/42/49/20/879424920.db2.gz REJDHOLUXBXRLY-FKBYEOEOSA-N 1 0 406.530 4.206 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2Cl)c2ccccc2OC)CC1 ZINC000465858272 879504945 /nfs/dbraw/zinc/50/49/45/879504945.db2.gz IUWFSJXFHRHQMO-QFIPXVFZSA-N 1 0 413.949 4.388 20 30 HIEDRO N#Cc1ccc(F)c(CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)c1 ZINC000465901323 879562016 /nfs/dbraw/zinc/56/20/16/879562016.db2.gz IDWXZZHZHYZQDN-UHFFFAOYSA-N 1 0 414.912 4.062 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)CC1 ZINC000466220183 879914723 /nfs/dbraw/zinc/91/47/23/879914723.db2.gz COIWMTNXHAQEDI-LJQANCHMSA-N 1 0 424.358 4.475 20 30 HIEDRO Cn1cc(C[NH2+]Cc2cc3cc(Br)ccc3[nH]2)c(-c2ccc(C#N)cc2)n1 ZINC000466465619 880247891 /nfs/dbraw/zinc/24/78/91/880247891.db2.gz WRGGKHDRNJGXJP-UHFFFAOYSA-N 1 0 420.314 4.492 20 30 HIEDRO C[NH+](C)CCc1ccc(CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1 ZINC000467054598 880843997 /nfs/dbraw/zinc/84/39/97/880843997.db2.gz VEZPCODSVATQCX-UHFFFAOYSA-N 1 0 413.521 4.171 20 30 HIEDRO N#Cc1cccc(OCC[N@@H+](Cc2cccc(Br)c2)C2CCOCC2)c1 ZINC000467298260 881044087 /nfs/dbraw/zinc/04/40/87/881044087.db2.gz CGOINYPEGLTNLN-UHFFFAOYSA-N 1 0 415.331 4.381 20 30 HIEDRO Cc1ccc([C@@H](CNC(=O)c2cn(CCCC#N)c3ccccc23)[NH+]2CCCC2)o1 ZINC000469085284 883171509 /nfs/dbraw/zinc/17/15/09/883171509.db2.gz WVFYJVZJWRKDEI-JOCHJYFZSA-N 1 0 404.514 4.413 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)[C@@H]1c1cccs1 ZINC000469208883 883309244 /nfs/dbraw/zinc/30/92/44/883309244.db2.gz CODWLMLHSVDLJH-DYESRHJHSA-N 1 0 406.511 4.088 20 30 HIEDRO COc1cc(Br)ccc1[C@H](C)[NH2+][C@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000469217669 883317306 /nfs/dbraw/zinc/31/73/06/883317306.db2.gz IKZJUOYCMAHVNG-QWHCGFSZSA-N 1 0 402.292 4.007 20 30 HIEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cccc21 ZINC000469349610 883470277 /nfs/dbraw/zinc/47/02/77/883470277.db2.gz ROUNOXKKBNOGDM-NRFANRHFSA-N 1 0 417.465 4.368 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(SCC#N)c1)c1cccc(C(F)(F)F)c1 ZINC000469474424 883702647 /nfs/dbraw/zinc/70/26/47/883702647.db2.gz MFDZHGMBFKBOFT-GOSISDBHSA-N 1 0 407.461 4.354 20 30 HIEDRO C[C@H](NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C(C)(C)C[NH+](C)C ZINC000469509499 883762920 /nfs/dbraw/zinc/76/29/20/883762920.db2.gz ZCEIOPPHVAZEHC-SFHVURJKSA-N 1 0 408.546 4.429 20 30 HIEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000469699570 883877866 /nfs/dbraw/zinc/87/78/66/883877866.db2.gz IRIFMUKFAIFTPP-IBGZPJMESA-N 1 0 415.541 4.295 20 30 HIEDRO N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@H](OCC[NH+]4CCCCC4)C3)c2)cc1 ZINC000469919530 884110224 /nfs/dbraw/zinc/11/02/24/884110224.db2.gz QMLZCEHWIHZIQN-DEOSSOPVSA-N 1 0 419.525 4.068 20 30 HIEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000503705572 912804157 /nfs/dbraw/zinc/80/41/57/912804157.db2.gz RPPPQAIYJQSISG-IBGZPJMESA-N 1 0 420.557 4.240 20 30 HIEDRO CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000470214784 884538840 /nfs/dbraw/zinc/53/88/40/884538840.db2.gz HDFHCZASQGTIIZ-UHFFFAOYSA-N 1 0 424.976 4.183 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)c3ccc(C[NH+]4CCSCC4)cc3)CC2)cc1 ZINC000503838785 912837025 /nfs/dbraw/zinc/83/70/25/912837025.db2.gz BOJWOKGOPBHLJA-UHFFFAOYSA-N 1 0 403.551 4.037 20 30 HIEDRO CN(C(=O)NCCSCc1ccccc1C#N)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470720763 885167088 /nfs/dbraw/zinc/16/70/88/885167088.db2.gz ZBMJYZHKGUOTLF-QHCPKHFHSA-N 1 0 422.598 4.097 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000470739166 885197738 /nfs/dbraw/zinc/19/77/38/885197738.db2.gz YJISICHWFDEHLG-KNQAVFIVSA-N 1 0 408.933 4.093 20 30 HIEDRO N#CCSc1ccccc1NC(=O)C[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000471017682 885519656 /nfs/dbraw/zinc/51/96/56/885519656.db2.gz IXFCLFAWPYMKGF-NRFANRHFSA-N 1 0 409.555 4.003 20 30 HIEDRO CC1CC[NH+](CCc2cccc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)c2)CC1 ZINC000471085838 885612950 /nfs/dbraw/zinc/61/29/50/885612950.db2.gz JZVLANMNUPLTDC-HSZRJFAPSA-N 1 0 400.526 4.154 20 30 HIEDRO N#CCCn1cc(C(=O)C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)c2ccccc21 ZINC000472228502 887033833 /nfs/dbraw/zinc/03/38/33/887033833.db2.gz GPCPMUSMKLNZOE-HSZRJFAPSA-N 1 0 401.510 4.110 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[C@H](c4ccc(F)cc4)C3)CC2)cc1 ZINC000472538236 887413414 /nfs/dbraw/zinc/41/34/14/887413414.db2.gz YSPRFVWBSZGKLO-LADGPHEKSA-N 1 0 420.532 4.251 20 30 HIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000473832532 888668576 /nfs/dbraw/zinc/66/85/76/888668576.db2.gz WJBZTXGLIZPNCI-UHFFFAOYSA-N 1 0 405.546 4.144 20 30 HIEDRO CC(C)N1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000474161203 888999141 /nfs/dbraw/zinc/99/91/41/888999141.db2.gz XCNRMJSIKOAWSS-FCHUYYIVSA-N 1 0 409.480 4.208 20 30 HIEDRO C=CCOc1ccc(C[N@@H+](CC(=O)Nc2ccc(NC(C)=O)cc2)C(C)(C)C)cc1 ZINC000474173377 889011214 /nfs/dbraw/zinc/01/12/14/889011214.db2.gz UGPIQEPAYVHLJO-UHFFFAOYSA-N 1 0 409.530 4.449 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474223306 889061562 /nfs/dbraw/zinc/06/15/62/889061562.db2.gz OOFICQWRLYOKMK-CTNGQTDRSA-N 1 0 422.598 4.226 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](Cc1ccccc1)C(C)(C)C ZINC000474276683 889142335 /nfs/dbraw/zinc/14/23/35/889142335.db2.gz KYBAOWWEZOREEM-UHFFFAOYSA-N 1 0 410.562 4.252 20 30 HIEDRO CN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474627310 889489696 /nfs/dbraw/zinc/48/96/96/889489696.db2.gz DIQRPQNVXWFSIC-RUZDIDTESA-N 1 0 410.521 4.220 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(-c3ccc(Cl)cc3Cl)c2)CC1 ZINC000474995411 889847585 /nfs/dbraw/zinc/84/75/85/889847585.db2.gz PIFHQRSUPJIFHB-UHFFFAOYSA-N 1 0 408.333 4.341 20 30 HIEDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1OC ZINC000475084714 889930709 /nfs/dbraw/zinc/93/07/09/889930709.db2.gz AULDDTLEBLMZBM-ZGDXVETISA-N 1 0 409.530 4.442 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2cccc(C)n2)cc1OCC ZINC000475286904 890187601 /nfs/dbraw/zinc/18/76/01/890187601.db2.gz SDERCNSDTOBPLO-UHFFFAOYSA-N 1 0 405.336 4.448 20 30 HIEDRO COc1ccc(C[NH+]2CCC(CNC(=O)C[C@H](CC#N)c3ccccc3)CC2)cc1 ZINC000475320072 890237641 /nfs/dbraw/zinc/23/76/41/890237641.db2.gz NTGPWNWAYBBZJR-QHCPKHFHSA-N 1 0 405.542 4.111 20 30 HIEDRO C=CCOc1c(Br)cc(CNC2CC([NH+]3CCCCC3)C2)cc1OC ZINC000475574387 890504498 /nfs/dbraw/zinc/50/44/98/890504498.db2.gz WDAJWFWXEHGZEU-UHFFFAOYSA-N 1 0 409.368 4.129 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1 ZINC000475715390 890653692 /nfs/dbraw/zinc/65/36/92/890653692.db2.gz MPKYEDXHUOAVBI-AQYVVDRMSA-N 1 0 410.949 4.231 20 30 HIEDRO N#CC[C@@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000476065217 890994715 /nfs/dbraw/zinc/99/47/15/890994715.db2.gz VQMQDNNPEYMEEL-PZJWPPBQSA-N 1 0 415.459 4.483 20 30 HIEDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000476298626 891212533 /nfs/dbraw/zinc/21/25/33/891212533.db2.gz WGDKTMZMALZIOV-FQEVSTJZSA-N 1 0 411.933 4.302 20 30 HIEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000477137181 892065518 /nfs/dbraw/zinc/06/55/18/892065518.db2.gz LKOZNBAPNFMHNT-JOCHJYFZSA-N 1 0 404.558 4.491 20 30 HIEDRO COCc1cccc(OCC2(C[N@@H+]3CCCN(Cc4ccc(C#N)cc4)CC3)CC2)c1 ZINC000477358475 892324259 /nfs/dbraw/zinc/32/42/59/892324259.db2.gz UVRLVWZSFOBATJ-UHFFFAOYSA-N 1 0 419.569 4.072 20 30 HIEDRO C=C(C)[C@H](NC(=O)N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(F)c(F)c1 ZINC000477721990 892826502 /nfs/dbraw/zinc/82/65/02/892826502.db2.gz KBKQSAZGYKLAJI-JKSBSHDWSA-N 1 0 421.532 4.113 20 30 HIEDRO N#Cc1cccc(OCCC[NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c1 ZINC000477763347 892851808 /nfs/dbraw/zinc/85/18/08/892851808.db2.gz LPJXYVVBNCVITL-UHFFFAOYSA-N 1 0 417.553 4.230 20 30 HIEDRO CCN(CCS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000478052857 893202587 /nfs/dbraw/zinc/20/25/87/893202587.db2.gz IBQLWFUDFYQVTM-OAHLLOKOSA-N 1 0 410.461 4.434 20 30 HIEDRO Cn1cc(C[NH2+]CCc2nc3ccccc3n2C(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000478254352 893432125 /nfs/dbraw/zinc/43/21/25/893432125.db2.gz NIUIKJHQPZALFG-UHFFFAOYSA-N 1 0 406.440 4.036 20 30 HIEDRO Cn1cc(C[NH2+]Cc2cccc(COCC(F)(F)F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000478279991 893482187 /nfs/dbraw/zinc/48/21/87/893482187.db2.gz SJGKBMHABAISRB-UHFFFAOYSA-N 1 0 414.431 4.327 20 30 HIEDRO CCOc1cc(CCC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)ccc1OC ZINC000478355340 893604469 /nfs/dbraw/zinc/60/44/69/893604469.db2.gz JEAKEAMCHKGKBO-UHFFFAOYSA-N 1 0 404.514 4.088 20 30 HIEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000478404501 893689414 /nfs/dbraw/zinc/68/94/14/893689414.db2.gz NJQOPSBUGBDSEW-UHFFFAOYSA-N 1 0 407.480 4.153 20 30 HIEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000478838747 894117308 /nfs/dbraw/zinc/11/73/08/894117308.db2.gz SXQIFHDDVIFSRO-IBGZPJMESA-N 1 0 402.542 4.279 20 30 HIEDRO CCCN(CC)c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479209195 894472633 /nfs/dbraw/zinc/47/26/33/894472633.db2.gz BGVKVVKGUSDAKW-UHFFFAOYSA-N 1 0 404.558 4.211 20 30 HIEDRO N#CC1(NC(=O)c2cc(Cl)ccc2OC(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000479222256 894484560 /nfs/dbraw/zinc/48/45/60/894484560.db2.gz VCVBOWCLUNQMCG-UHFFFAOYSA-N 1 0 419.859 4.230 20 30 HIEDRO N#CC1(NC(=O)c2cc(C(F)(F)F)ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000479224781 894485972 /nfs/dbraw/zinc/48/59/72/894485972.db2.gz YSOWQBYFOIRJAW-UHFFFAOYSA-N 1 0 405.395 4.133 20 30 HIEDRO N#CC1(NC(=O)c2ccc(F)c(C(F)(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479224695 894486050 /nfs/dbraw/zinc/48/60/50/894486050.db2.gz YBVORBDFGMMEEZ-UHFFFAOYSA-N 1 0 405.395 4.133 20 30 HIEDRO CCCOc1ccc(CCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479249501 894515146 /nfs/dbraw/zinc/51/51/46/894515146.db2.gz RLASUMTVEOZIDV-UHFFFAOYSA-N 1 0 405.542 4.083 20 30 HIEDRO Cc1c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)sc2nccc(C)c12 ZINC000479254186 894520305 /nfs/dbraw/zinc/52/03/05/894520305.db2.gz YEZXLQWAVFELAI-UHFFFAOYSA-N 1 0 404.539 4.201 20 30 HIEDRO Cc1ccc(Br)cc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479281569 894559049 /nfs/dbraw/zinc/55/90/49/894559049.db2.gz PBCGKCLZUXRUOB-UHFFFAOYSA-N 1 0 412.331 4.046 20 30 HIEDRO Cc1ccc(OCCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000479306549 894594075 /nfs/dbraw/zinc/59/40/75/894594075.db2.gz BRUAPZHRHVCSEC-UHFFFAOYSA-N 1 0 405.542 4.137 20 30 HIEDRO N#CC1(NC(=O)c2cc(F)cc(C(F)(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479313321 894601290 /nfs/dbraw/zinc/60/12/90/894601290.db2.gz MTVYCZOCACUOJJ-UHFFFAOYSA-N 1 0 405.395 4.133 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479436897 894752543 /nfs/dbraw/zinc/75/25/43/894752543.db2.gz LIFHKOITMPFHIT-POOLCLQXSA-N 1 0 413.525 4.496 20 30 HIEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1ccccc1O2 ZINC000505284917 913941879 /nfs/dbraw/zinc/94/18/79/913941879.db2.gz ZYLAHHDAQDCCDF-NRFANRHFSA-N 1 0 421.516 4.079 20 30 HIEDRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1Br ZINC000479887950 895235140 /nfs/dbraw/zinc/23/51/40/895235140.db2.gz KTRWKKSDLAFFNC-UHFFFAOYSA-N 1 0 411.303 4.020 20 30 HIEDRO CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000480097627 895462000 /nfs/dbraw/zinc/46/20/00/895462000.db2.gz MSONOMVVYFVCPA-GOTSBHOMSA-N 1 0 413.525 4.341 20 30 HIEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[NH+](C)C ZINC000480302804 895707055 /nfs/dbraw/zinc/70/70/55/895707055.db2.gz VEZDNDCVWPFYTO-OPAMFIHVSA-N 1 0 420.492 4.004 20 30 HIEDRO COc1cccc([C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)[NH+](C)C)c1 ZINC000480370519 895777949 /nfs/dbraw/zinc/77/79/49/895777949.db2.gz YRPCXGDUHCAKHS-HSZRJFAPSA-N 1 0 408.546 4.037 20 30 HIEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CCC(F)(C#N)CC2)cc1)C[C@H]1CCCCO1 ZINC000480686872 896049609 /nfs/dbraw/zinc/04/96/09/896049609.db2.gz VULQXFGESYCOFU-OAQYLSRUSA-N 1 0 416.541 4.326 20 30 HIEDRO N#Cc1ccc(OC2CCN(Cc3nc4cc(Br)ccc4[nH]3)CC2)cc1 ZINC000480790139 896155819 /nfs/dbraw/zinc/15/58/19/896155819.db2.gz XAKYKHAJVQTXPD-UHFFFAOYSA-N 1 0 411.303 4.240 20 30 HIEDRO C=C(C)[C@@H](NC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000481067667 896389047 /nfs/dbraw/zinc/38/90/47/896389047.db2.gz GHUQGHIQGDORRK-HXUWFJFHSA-N 1 0 403.477 4.175 20 30 HIEDRO C[N@H+](Cc1ccc(C#N)cc1Br)C1CCN(C(=O)c2ccccc2)CC1 ZINC000481149878 896480146 /nfs/dbraw/zinc/48/01/46/896480146.db2.gz ZITYKCCRHHKBPY-UHFFFAOYSA-N 1 0 412.331 4.057 20 30 HIEDRO C[C@@H](CNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C[NH+]1CCCC1 ZINC000481592211 896971209 /nfs/dbraw/zinc/97/12/09/896971209.db2.gz CUIUVIAQZVSCMY-KRWDZBQOSA-N 1 0 410.493 4.130 20 30 HIEDRO C=C(C)[C@@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)c(F)c1 ZINC000481606050 896986909 /nfs/dbraw/zinc/98/69/09/896986909.db2.gz PZNOMLQQWYADFC-HSZRJFAPSA-N 1 0 413.468 4.327 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)N3CC[NH+](C4CCCC4)CC3)cc2F)c1 ZINC000481715973 897108168 /nfs/dbraw/zinc/10/81/68/897108168.db2.gz WBOMGVYBGGNRKF-UHFFFAOYSA-N 1 0 422.504 4.368 20 30 HIEDRO CC[C@H](C[N@H+](CC)CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1 ZINC000481745343 897138828 /nfs/dbraw/zinc/13/88/28/897138828.db2.gz CUNCIVOACXWYBX-LJQANCHMSA-N 1 0 401.514 4.198 20 30 HIEDRO Cc1ccnc(N2CCN(C(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)CC2)c1 ZINC000481937054 897323229 /nfs/dbraw/zinc/32/32/29/897323229.db2.gz WGWWCURUGLEQBS-UHFFFAOYSA-N 1 0 412.493 4.325 20 30 HIEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)C1 ZINC000505523186 914214839 /nfs/dbraw/zinc/21/48/39/914214839.db2.gz ZDKYKGHDLIUKKU-XMMPIXPASA-N 1 0 405.567 4.408 20 30 HIEDRO N#Cc1ccccc1OCc1cccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000482622097 898224659 /nfs/dbraw/zinc/22/46/59/898224659.db2.gz VFJJMHOGOXUOLP-UHFFFAOYSA-N 1 0 403.526 4.274 20 30 HIEDRO C=C(C)[C@@H](NC(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)c1ccc(F)c(F)c1 ZINC000482626719 898229790 /nfs/dbraw/zinc/22/97/90/898229790.db2.gz BRKDQZBIESMCNF-NHCUHLMSSA-N 1 0 403.473 4.193 20 30 HIEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC[C@@H]21 ZINC000482989962 898631762 /nfs/dbraw/zinc/63/17/62/898631762.db2.gz VQQKPBDAFODKMQ-YKSBVNFPSA-N 1 0 418.541 4.280 20 30 HIEDRO CC(C)C[C@](C)([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(Br)c1 ZINC000483058166 898734250 /nfs/dbraw/zinc/73/42/50/898734250.db2.gz IXTQBCHQCHVOHV-VQTJNVASSA-N 1 0 406.368 4.108 20 30 HIEDRO COc1ccc(C[N@H+](CCC(=O)Nc2ccccc2C#N)CCc2ccccn2)cc1 ZINC000483065595 898745545 /nfs/dbraw/zinc/74/55/45/898745545.db2.gz BECNBCCRBJPMFI-UHFFFAOYSA-N 1 0 414.509 4.035 20 30 HIEDRO C=C(C)[C@H](NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000483306910 898937108 /nfs/dbraw/zinc/93/71/08/898937108.db2.gz UZBXKGVWLDTRJP-NRFANRHFSA-N 1 0 403.473 4.481 20 30 HIEDRO COc1ccc(C#N)cc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483343344 898973545 /nfs/dbraw/zinc/97/35/45/898973545.db2.gz ZDYSYQADCTVQOH-UNMCSNQZSA-N 1 0 404.514 4.085 20 30 HIEDRO CS[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000483393459 899027883 /nfs/dbraw/zinc/02/78/83/899027883.db2.gz JPCVBXHHUNWJIK-SIKLNZKXSA-N 1 0 407.539 4.002 20 30 HIEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000483567851 899222711 /nfs/dbraw/zinc/22/27/11/899222711.db2.gz ZIJICUPEFHNBLS-IRLDBZIGSA-N 1 0 405.567 4.407 20 30 HIEDRO Cc1cc(-c2noc([C@@H](C)NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2)ccc1F ZINC000483640846 899296323 /nfs/dbraw/zinc/29/63/23/899296323.db2.gz SJDDMKCKNHTPSF-QGZVFWFLSA-N 1 0 419.504 4.371 20 30 HIEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H]2CCCc3c(O)cccc32)c1C#N ZINC000484327593 899881554 /nfs/dbraw/zinc/88/15/54/899881554.db2.gz OPRHUQPCICVNBT-QFIPXVFZSA-N 1 0 414.509 4.277 20 30 HIEDRO CC(C)[C@@](C)([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(Br)cc1 ZINC000484328409 899883023 /nfs/dbraw/zinc/88/30/23/899883023.db2.gz ITDYRNCWTDZIFZ-GOSISDBHSA-N 1 0 406.349 4.482 20 30 HIEDRO CC(C)[C@@](C)([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000484391404 899922297 /nfs/dbraw/zinc/92/22/97/899922297.db2.gz PNYVDQXQZDAHBN-OAQYLSRUSA-N 1 0 414.347 4.098 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1 ZINC000484620083 900074591 /nfs/dbraw/zinc/07/45/91/900074591.db2.gz SKNWUCPXTNHUMZ-GGAORHGYSA-N 1 0 422.573 4.268 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1 ZINC000484620085 900074861 /nfs/dbraw/zinc/07/48/61/900074861.db2.gz SKNWUCPXTNHUMZ-JTHBVZDNSA-N 1 0 422.573 4.268 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000484696270 900132337 /nfs/dbraw/zinc/13/23/37/900132337.db2.gz YCTAPAQREAKRPW-BGYRXZFFSA-N 1 0 403.615 4.308 20 30 HIEDRO COc1ccc(NC(=O)CC[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1Cl ZINC000485093123 900404902 /nfs/dbraw/zinc/40/49/02/900404902.db2.gz NFEKAYSGZOYGJA-UHFFFAOYSA-N 1 0 413.905 4.092 20 30 HIEDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1OC(F)F ZINC000485244532 900529091 /nfs/dbraw/zinc/52/90/91/900529091.db2.gz KFYRXTULTJYIOE-RDTXWAMCSA-N 1 0 415.440 4.014 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000485248594 900532831 /nfs/dbraw/zinc/53/28/31/900532831.db2.gz VAXKGTNQPXBXAU-UHFFFAOYSA-N 1 0 423.605 4.464 20 30 HIEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000485504138 900792096 /nfs/dbraw/zinc/79/20/96/900792096.db2.gz LOMMSRWQOHFHDM-FXAWDEMLSA-N 1 0 420.561 4.132 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1)C1CC1 ZINC000486299103 901479554 /nfs/dbraw/zinc/47/95/54/901479554.db2.gz NYPMMLHXDMQKAA-UHFFFAOYSA-N 1 0 405.498 4.003 20 30 HIEDRO CO[C@@H](C)c1nc(CN2CCC[N@H+](Cc3ccccc3C(C)(C)C#N)CC2)cs1 ZINC000486782743 901851375 /nfs/dbraw/zinc/85/13/75/901851375.db2.gz YPLJSOUVXFHPJJ-SFHVURJKSA-N 1 0 412.603 4.360 20 30 HIEDRO Clc1ccc(C#CC[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1 ZINC000486832923 901884417 /nfs/dbraw/zinc/88/44/17/901884417.db2.gz ILGZTNUXKJJZEX-AUSIDOKSSA-N 1 0 404.901 4.190 20 30 HIEDRO COc1cc(-c2ccccc2)ccc1C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000486885623 901931566 /nfs/dbraw/zinc/93/15/66/901931566.db2.gz WEGYCVFTPMMTHO-DEOSSOPVSA-N 1 0 411.505 4.125 20 30 HIEDRO COc1ccccc1-c1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000486907340 901953856 /nfs/dbraw/zinc/95/38/56/901953856.db2.gz WLGQGOOLAYOQAZ-XMMPIXPASA-N 1 0 411.505 4.125 20 30 HIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(OCc4ccccc4)cc3)C2=O)cc1 ZINC000486909088 901955493 /nfs/dbraw/zinc/95/54/93/901955493.db2.gz ZIPLIQGKUGXKAJ-VWLOTQADSA-N 1 0 411.505 4.028 20 30 HIEDRO Cc1ccc(-c2ccc(C[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)s2)cc1 ZINC000486909884 901957433 /nfs/dbraw/zinc/95/74/33/901957433.db2.gz WOIWWEAGGKAGQY-JOCHJYFZSA-N 1 0 401.535 4.486 20 30 HIEDRO COc1cccc([C@@H]2[C@@H](NC(=O)N[C@H](CCC#N)c3ccccc3)CC[N@@H+]2C2CC2)c1 ZINC000487935045 902463360 /nfs/dbraw/zinc/46/33/60/902463360.db2.gz MANSBFXAKQMWLG-TZRRMPRUSA-N 1 0 418.541 4.317 20 30 HIEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H](C[NH+]4CCCCCC4)C3)o2)cc1 ZINC000487953795 902480210 /nfs/dbraw/zinc/48/02/10/902480210.db2.gz UKZJABYXSUFFIH-NRFANRHFSA-N 1 0 421.541 4.458 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(Oc2cccnc2)cc1 ZINC000487960457 902486330 /nfs/dbraw/zinc/48/63/30/902486330.db2.gz USIQEZMNOHYSGA-QRWLVFNGSA-N 1 0 404.495 4.263 20 30 HIEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1Br ZINC000488003446 902523446 /nfs/dbraw/zinc/52/34/46/902523446.db2.gz BFTISSSFQQLIAB-UHFFFAOYSA-N 1 0 413.319 4.107 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000489072679 903174256 /nfs/dbraw/zinc/17/42/56/903174256.db2.gz CWVOCZLCJTYNMW-HSZRJFAPSA-N 1 0 415.468 4.171 20 30 HIEDRO COc1cc(C)c(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccccc2)cc1OC ZINC000506045607 914738906 /nfs/dbraw/zinc/73/89/06/914738906.db2.gz HQGXAHCGCBQTBQ-UHFFFAOYSA-N 1 0 404.514 4.421 20 30 HIEDRO Cn1cc(C[N@H+](C)Cc2cc(Br)cs2)c(-c2ccc(C#N)cc2)n1 ZINC000491194127 904475850 /nfs/dbraw/zinc/47/58/50/904475850.db2.gz JUHUVGNOENPIRY-UHFFFAOYSA-N 1 0 401.333 4.415 20 30 HIEDRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]Cc2cccc(C#N)c2)C1=O ZINC000506206523 914844547 /nfs/dbraw/zinc/84/45/47/914844547.db2.gz VEMSIOXRTLILGY-IBGZPJMESA-N 1 0 412.331 4.223 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+][C@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000492221350 904817920 /nfs/dbraw/zinc/81/79/20/904817920.db2.gz AQGICJPVVNIDNR-LJQANCHMSA-N 1 0 407.283 4.094 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000493924340 905276944 /nfs/dbraw/zinc/27/69/44/905276944.db2.gz CLNQPXKALVIADU-AZUAARDMSA-N 1 0 406.530 4.378 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000493961265 905311681 /nfs/dbraw/zinc/31/16/81/905311681.db2.gz MUHRBBVVXUETOH-DEOSSOPVSA-N 1 0 411.505 4.142 20 30 HIEDRO CC(=O)N1CC[C@@H]([NH2+]C2CCC(Oc3ccccc3C#N)CC2)c2ccccc2C1 ZINC000494066321 905401791 /nfs/dbraw/zinc/40/17/91/905401791.db2.gz OEADMXNAQXNLDM-UBVWURDFSA-N 1 0 403.526 4.331 20 30 HIEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)cc1Cl ZINC000494501382 905792883 /nfs/dbraw/zinc/79/28/83/905792883.db2.gz HSKLLVKFNMCPSL-HKUYNNGSSA-N 1 0 408.260 4.062 20 30 HIEDRO Cc1nc(NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)sc1SCC#N ZINC000494635035 905875492 /nfs/dbraw/zinc/87/54/92/905875492.db2.gz SSDBQVIPJDIUSM-DYESRHJHSA-N 1 0 412.584 4.308 20 30 HIEDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000512487523 921195449 /nfs/dbraw/zinc/19/54/49/921195449.db2.gz VSARCFMFBYZGLK-IRXDYDNUSA-N 1 0 403.592 4.233 20 30 HIEDRO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@@H+]1CCC[C@@H]1C1CCCC1)CCCC2 ZINC000494791609 905992599 /nfs/dbraw/zinc/99/25/99/905992599.db2.gz FJLRODNIYZBLSF-DENIHFKCSA-N 1 0 424.589 4.011 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc(C4CCC4)cc3)CC2)cc1 ZINC000494802353 906003777 /nfs/dbraw/zinc/00/37/77/906003777.db2.gz YYORRCDXABMSCP-UHFFFAOYSA-N 1 0 402.542 4.243 20 30 HIEDRO Cn1cc(C[NH2+]Cc2ccncc2OCc2ccccc2)c(-c2ccc(C#N)cc2)n1 ZINC000512527672 921217121 /nfs/dbraw/zinc/21/71/21/921217121.db2.gz WANOQXMCMLZDCV-UHFFFAOYSA-N 1 0 409.493 4.223 20 30 HIEDRO CC(C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Oc1cc(F)cc(F)c1 ZINC000512568859 921242279 /nfs/dbraw/zinc/24/22/79/921242279.db2.gz KNJXOCCVAWFUMM-UHFFFAOYSA-N 1 0 411.456 4.084 20 30 HIEDRO N#C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000496274930 906647184 /nfs/dbraw/zinc/64/71/84/906647184.db2.gz ZXPOAPZMOIYTHB-QUCCMNQESA-N 1 0 412.331 4.042 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1ccc(C#N)cc1F ZINC000512636322 921269541 /nfs/dbraw/zinc/26/95/41/921269541.db2.gz LBNZPYQHVSPCQU-AWEZNQCLSA-N 1 0 418.310 4.159 20 30 HIEDRO C[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000497403914 906882541 /nfs/dbraw/zinc/88/25/41/906882541.db2.gz NSENFXGYAIAVKW-LOSJGSFVSA-N 1 0 411.505 4.373 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000512664224 921280465 /nfs/dbraw/zinc/28/04/65/921280465.db2.gz YEEQDLJXCXKFPN-DLQXEOFGSA-N 1 0 417.553 4.133 20 30 HIEDRO CC[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497599409 907079429 /nfs/dbraw/zinc/07/94/29/907079429.db2.gz CCXFXQCJIZSBCO-AWEZNQCLSA-N 1 0 420.376 4.424 20 30 HIEDRO CC[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497619992 907098199 /nfs/dbraw/zinc/09/81/99/907098199.db2.gz WUJOPJOWKIZZPJ-GOSISDBHSA-N 1 0 404.514 4.097 20 30 HIEDRO C=C(C)COc1cc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)ccc1OC ZINC000512709678 921293793 /nfs/dbraw/zinc/29/37/93/921293793.db2.gz DIXHTDZILWXVEJ-UHFFFAOYSA-N 1 0 422.569 4.487 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)Nc3ccc(Cl)cc3F)CC2)c(F)c1 ZINC000512806409 921314993 /nfs/dbraw/zinc/31/49/93/921314993.db2.gz VLUCTSMITDTVLQ-UHFFFAOYSA-N 1 0 419.859 4.362 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nccn1Cc1ccccc1 ZINC000497927415 907394485 /nfs/dbraw/zinc/39/44/85/907394485.db2.gz JEZZXRIGLKFJJC-UHFFFAOYSA-N 1 0 422.602 4.030 20 30 HIEDRO CC[NH+](CC)CCN(C(=O)c1sccc1C#N)c1cccc(Br)c1 ZINC000497993309 907472056 /nfs/dbraw/zinc/47/20/56/907472056.db2.gz KROKWONCRXZNMW-UHFFFAOYSA-N 1 0 406.349 4.371 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2cccc(OCc3ccccc3)c2)CC1 ZINC000498242303 907777149 /nfs/dbraw/zinc/77/71/49/907777149.db2.gz GSZHNJHPLUJDBU-UHFFFAOYSA-N 1 0 407.558 4.148 20 30 HIEDRO C[C@@H](NC(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000512853277 921358457 /nfs/dbraw/zinc/35/84/57/921358457.db2.gz VSUWKJZGHSSWSX-CTNGQTDRSA-N 1 0 402.542 4.256 20 30 HIEDRO CN1CCO[C@H]([C@H]([NH2+]Cc2cccc(OCCCC#N)c2)c2ccc(Cl)cc2)C1 ZINC000498366734 907860729 /nfs/dbraw/zinc/86/07/29/907860729.db2.gz YWCFDITXJOJAGX-XZOQPEGZSA-N 1 0 413.949 4.184 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498703820 908127981 /nfs/dbraw/zinc/12/79/81/908127981.db2.gz LQXGVMNXGGJHHW-HYBUGGRVSA-N 1 0 402.542 4.166 20 30 HIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498708462 908134797 /nfs/dbraw/zinc/13/47/97/908134797.db2.gz UYRFIUDNBMGVBE-YKSBVNFPSA-N 1 0 404.558 4.389 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000499194575 908549052 /nfs/dbraw/zinc/54/90/52/908549052.db2.gz PLFUBALSEHLXJN-NFBKMPQASA-N 1 0 409.578 4.215 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1csc(-c2ccc(Cl)cc2Cl)n1 ZINC000499333383 908708218 /nfs/dbraw/zinc/70/82/18/908708218.db2.gz OZCLOUSBXRKBOE-UHFFFAOYSA-N 1 0 411.358 4.424 20 30 HIEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000499434506 908794396 /nfs/dbraw/zinc/79/43/96/908794396.db2.gz HVWCQNUUYSMRGO-DEOSSOPVSA-N 1 0 413.521 4.040 20 30 HIEDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C[C@@H]1C ZINC000499608320 908854954 /nfs/dbraw/zinc/85/49/54/908854954.db2.gz RARNYQJQKBFTPS-IRXDYDNUSA-N 1 0 408.502 4.306 20 30 HIEDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C[C@H]1C ZINC000499608322 908854981 /nfs/dbraw/zinc/85/49/81/908854981.db2.gz RARNYQJQKBFTPS-SJORKVTESA-N 1 0 408.502 4.306 20 30 HIEDRO CC(C)Cn1ncc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C(C)C ZINC000499972191 909416030 /nfs/dbraw/zinc/41/60/30/909416030.db2.gz JMEAPFIHLADVEY-UHFFFAOYSA-N 1 0 410.566 4.130 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(CCC[NH+](C)C)CC2)cc1C ZINC000500153201 909630278 /nfs/dbraw/zinc/63/02/78/909630278.db2.gz ZFWPXENKRMATIM-UHFFFAOYSA-N 1 0 421.589 4.275 20 30 HIEDRO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000513074164 921527984 /nfs/dbraw/zinc/52/79/84/921527984.db2.gz HLWXSNFRFCIGFP-KRWDZBQOSA-N 1 0 404.967 4.498 20 30 HIEDRO CCCn1nccc1C1CCN(CC(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000501509209 910619917 /nfs/dbraw/zinc/61/99/17/910619917.db2.gz YAHKZPFSGMCJRO-UHFFFAOYSA-N 1 0 407.562 4.036 20 30 HIEDRO CCN(C(=O)CSCc1ccc(C#N)cc1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000501949447 910936082 /nfs/dbraw/zinc/93/60/82/910936082.db2.gz RLTSVKVGMLJSAV-XXBNENTESA-N 1 0 407.583 4.475 20 30 HIEDRO CN1CC[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000502156803 911078067 /nfs/dbraw/zinc/07/80/67/911078067.db2.gz RVUSDDDYUORDLH-DHIUTWEWSA-N 1 0 422.479 4.081 20 30 HIEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1 ZINC000502295417 911252843 /nfs/dbraw/zinc/25/28/43/911252843.db2.gz ULNMJEMXLMPSNF-UHFFFAOYSA-N 1 0 414.553 4.330 20 30 HIEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)CC3CCOCC3)sc2C1 ZINC000502509278 911514138 /nfs/dbraw/zinc/51/41/38/911514138.db2.gz URZRROUNKMKQID-KRWDZBQOSA-N 1 0 417.619 4.458 20 30 HIEDRO CC[NH+](CC)CCOc1ccccc1NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000502613201 911636359 /nfs/dbraw/zinc/63/63/59/911636359.db2.gz GQAIKMGBKPDZKI-UHFFFAOYSA-N 1 0 417.513 4.025 20 30 HIEDRO C[NH+](C)CCN(C(=O)c1cccc(COc2ccccc2C#N)c1)C1CCCCC1 ZINC000513302877 921698115 /nfs/dbraw/zinc/69/81/15/921698115.db2.gz ZSUMCJDCOCZBJU-UHFFFAOYSA-N 1 0 405.542 4.474 20 30 HIEDRO CCC[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502967983 911950457 /nfs/dbraw/zinc/95/04/57/911950457.db2.gz FYYMTTHYEFMBEX-KRWDZBQOSA-N 1 0 403.486 4.238 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1c(C)[nH]c2ccccc21 ZINC000513343561 921727578 /nfs/dbraw/zinc/72/75/78/921727578.db2.gz OMDGIEBJLMWLMT-UHFFFAOYSA-N 1 0 423.586 4.257 20 30 HIEDRO C[C@@H]1C[C@@H](N(C)C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000513365801 921740565 /nfs/dbraw/zinc/74/05/65/921740565.db2.gz HQPGYKWVQPEKHO-JPYJTQIMSA-N 1 0 405.517 4.240 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000506560559 915205257 /nfs/dbraw/zinc/20/52/57/915205257.db2.gz HGWPEKZGMBVDAW-VQTJNVASSA-N 1 0 416.997 4.173 20 30 HIEDRO C=CC[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000507256452 916018191 /nfs/dbraw/zinc/01/81/91/916018191.db2.gz CUWLNBMZENPHQT-DQEYMECFSA-N 1 0 418.581 4.391 20 30 HIEDRO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507439909 916209368 /nfs/dbraw/zinc/20/93/68/916209368.db2.gz HDHMGXPBZMZAMP-MBSDFSHPSA-N 1 0 418.541 4.184 20 30 HIEDRO COc1cc(OC)c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1Cl ZINC000507448902 916219675 /nfs/dbraw/zinc/21/96/75/916219675.db2.gz LRTCTVQGYPJXSU-AUUYWEPGSA-N 1 0 413.905 4.075 20 30 HIEDRO COc1ccc(CN(C)CC(=O)Nc2c(C)cc(C)cc2C)cc1OCCCC#N ZINC000507461022 916227720 /nfs/dbraw/zinc/22/77/20/916227720.db2.gz RBDOEPPWQJBOAV-UHFFFAOYSA-N 1 0 409.530 4.374 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H](c2cccc(F)c2)N2CCOCC2)CC1 ZINC000507579387 916334576 /nfs/dbraw/zinc/33/45/76/916334576.db2.gz KJNXQRWHOFKCTO-BQCMWAFGSA-N 1 0 407.533 4.193 20 30 HIEDRO COc1cc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)ccc1SC ZINC000507708740 916496513 /nfs/dbraw/zinc/49/65/13/916496513.db2.gz JXZGTIQLRFCOQM-UHFFFAOYSA-N 1 0 403.935 4.403 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cccc(OCC(F)(F)F)c3)CC2)nc1 ZINC000507765663 916550155 /nfs/dbraw/zinc/55/01/55/916550155.db2.gz GBVKPQKMNCBGCV-UHFFFAOYSA-N 1 0 405.420 4.374 20 30 HIEDRO COc1ccc(CC[C@@H]2CCCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)cc1OC ZINC000507986272 916829631 /nfs/dbraw/zinc/82/96/31/916829631.db2.gz RXWBIQPZMUPVRV-NRFANRHFSA-N 1 0 421.541 4.391 20 30 HIEDRO COc1ccc([C@@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)[NH+]2CCCC2)cc1 ZINC000508058773 916883425 /nfs/dbraw/zinc/88/34/25/916883425.db2.gz AQWIMSBSOAJELW-HXUWFJFHSA-N 1 0 409.534 4.082 20 30 HIEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000508083137 916900665 /nfs/dbraw/zinc/90/06/65/916900665.db2.gz AMFCYKWMZSEEOC-HXUWFJFHSA-N 1 0 408.550 4.028 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000508249383 917068869 /nfs/dbraw/zinc/06/88/69/917068869.db2.gz KESGDXLRDWMRBW-FQEVSTJZSA-N 1 0 420.513 4.451 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000508256731 917075184 /nfs/dbraw/zinc/07/51/84/917075184.db2.gz DMLSOINANKOWKP-QGZVFWFLSA-N 1 0 408.502 4.213 20 30 HIEDRO C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508460859 917245306 /nfs/dbraw/zinc/24/53/06/917245306.db2.gz GCMKSLMVTZPWCR-LEWJYISDSA-N 1 0 411.594 4.389 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508463316 917248284 /nfs/dbraw/zinc/24/82/84/917248284.db2.gz GEZFQICYAIRRQD-GOSISDBHSA-N 1 0 413.541 4.055 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000508467773 917252762 /nfs/dbraw/zinc/25/27/62/917252762.db2.gz ZJQPWBFOVKHRER-LJQANCHMSA-N 1 0 405.546 4.288 20 30 HIEDRO C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508478575 917264096 /nfs/dbraw/zinc/26/40/96/917264096.db2.gz RZPFXOQQOUQOPD-OALUTQOASA-N 1 0 424.549 4.130 20 30 HIEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508480472 917264805 /nfs/dbraw/zinc/26/48/05/917264805.db2.gz HGLXBBLQWDITQH-QFIPXVFZSA-N 1 0 419.548 4.152 20 30 HIEDRO C=CCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508496935 917281426 /nfs/dbraw/zinc/28/14/26/917281426.db2.gz HPCZOINUIVMPFC-UHFFFAOYSA-N 1 0 424.376 4.317 20 30 HIEDRO C=CCn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508502972 917288306 /nfs/dbraw/zinc/28/83/06/917288306.db2.gz DEXLICBEPZBQQX-OFNKIYASSA-N 1 0 421.589 4.113 20 30 HIEDRO COCC[N@@H+](Cc1ccc(C#N)cc1)CC1=Cc2cc(Br)ccc2OC1 ZINC000508530281 917312460 /nfs/dbraw/zinc/31/24/60/917312460.db2.gz WDHHMAVINGEYJO-UHFFFAOYSA-N 1 0 413.315 4.245 20 30 HIEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508702457 917463798 /nfs/dbraw/zinc/46/37/98/917463798.db2.gz YTRAOLTUFYKKDX-IBGZPJMESA-N 1 0 402.546 4.052 20 30 HIEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508733671 917492950 /nfs/dbraw/zinc/49/29/50/917492950.db2.gz NMECFHOLOFZTLE-VGSWGCGISA-N 1 0 402.546 4.066 20 30 HIEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508738058 917498679 /nfs/dbraw/zinc/49/86/79/917498679.db2.gz CYYVFUSFNKZAOE-UHFFFAOYSA-N 1 0 415.969 4.151 20 30 HIEDRO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508798905 917555425 /nfs/dbraw/zinc/55/54/25/917555425.db2.gz YHFOZLOYJCQBNL-QGZVFWFLSA-N 1 0 417.504 4.045 20 30 HIEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[NH+](C)C ZINC000508892129 917647421 /nfs/dbraw/zinc/64/74/21/917647421.db2.gz HXYCIYZUTLLVJR-DVECYGJZSA-N 1 0 420.557 4.111 20 30 HIEDRO C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508944859 917701649 /nfs/dbraw/zinc/70/16/49/917701649.db2.gz HOHRKBZDCOSIDL-CQSZACIVSA-N 1 0 422.396 4.020 20 30 HIEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000509000775 917754636 /nfs/dbraw/zinc/75/46/36/917754636.db2.gz KMRMTRCWXBZYSG-FQEVSTJZSA-N 1 0 408.594 4.315 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCc3c(Br)cccc3[C@H]2C)CC1 ZINC000509207987 917909789 /nfs/dbraw/zinc/90/97/89/917909789.db2.gz CQNLMUWUDZXCIE-OAHLLOKOSA-N 1 0 406.368 4.118 20 30 HIEDRO C=CCc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc(OC)c1O ZINC000509372949 918037784 /nfs/dbraw/zinc/03/77/84/918037784.db2.gz PCCOTIYAQNKRPN-QGZVFWFLSA-N 1 0 415.921 4.028 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)c1C#N ZINC000509500973 918146549 /nfs/dbraw/zinc/14/65/49/918146549.db2.gz BXWMVAKRXIVCJX-QAPCUYQASA-N 1 0 406.555 4.118 20 30 HIEDRO CC[NH+](CC)CCOc1cc(NC(=O)c2cc(C#N)ccc2Cl)ccc1OC ZINC000509540302 918188393 /nfs/dbraw/zinc/18/83/93/918188393.db2.gz IZSUYIQAIJAYDE-UHFFFAOYSA-N 1 0 401.894 4.193 20 30 HIEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000509813097 918416871 /nfs/dbraw/zinc/41/68/71/918416871.db2.gz FLONQCYAPZLZLO-UHFFFAOYSA-N 1 0 411.546 4.471 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)ccc1Cl ZINC000510453737 918910228 /nfs/dbraw/zinc/91/02/28/918910228.db2.gz JVMUOIAPXOEROH-FQEVSTJZSA-N 1 0 421.932 4.192 20 30 HIEDRO N#Cc1cccc(COc2cccc(CN3CCNC(=O)C[C@@H]3c3ccccc3)c2)c1 ZINC000510519465 918964963 /nfs/dbraw/zinc/96/49/63/918964963.db2.gz IFTRSZGENRWGBA-RUZDIDTESA-N 1 0 411.505 4.200 20 30 HIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000510521036 918966270 /nfs/dbraw/zinc/96/62/70/918966270.db2.gz BRXJBUGJLCCBQV-KDURUIRLSA-N 1 0 422.529 4.280 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000510634306 919075273 /nfs/dbraw/zinc/07/52/73/919075273.db2.gz JOILDTZWDSYSTJ-UHFFFAOYSA-N 1 0 401.942 4.364 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)N2CCCN(c3ccccc3C#N)CC2)cc1)C(C)C ZINC000510797384 919267429 /nfs/dbraw/zinc/26/74/29/919267429.db2.gz MEIQHFZMCBSEDO-UHFFFAOYSA-N 1 0 404.558 4.141 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000510829485 919309087 /nfs/dbraw/zinc/30/90/87/919309087.db2.gz YAVGHNHDWACTSF-DEOSSOPVSA-N 1 0 420.557 4.194 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000511354522 919948786 /nfs/dbraw/zinc/94/87/86/919948786.db2.gz YQDWTNWXOISABU-UHFFFAOYSA-N 1 0 406.530 4.329 20 30 HIEDRO C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511378915 919978933 /nfs/dbraw/zinc/97/89/33/919978933.db2.gz MZXFEFZZXCDMJZ-XLIONFOSSA-N 1 0 404.514 4.128 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000511400776 920013745 /nfs/dbraw/zinc/01/37/45/920013745.db2.gz WOZXYEDBUBPNEY-LJQANCHMSA-N 1 0 420.557 4.156 20 30 HIEDRO CC[N@@H+]1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)[C@H](C)C1 ZINC000511608046 920256146 /nfs/dbraw/zinc/25/61/46/920256146.db2.gz ZKIYGDOIHTVLAT-SJORKVTESA-N 1 0 416.635 4.125 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1)C1CC1 ZINC000511722960 920390104 /nfs/dbraw/zinc/39/01/04/920390104.db2.gz XGBLTPLUBYMUEG-UHFFFAOYSA-N 1 0 403.461 4.120 20 30 HIEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000511828128 920528818 /nfs/dbraw/zinc/52/88/18/920528818.db2.gz XGLBSWNDHHMDAG-UXHICEINSA-N 1 0 401.432 4.119 20 30 HIEDRO CC1CC[NH+](C[C@@H]2CCCN(Cc3cn(CCC#N)nc3-c3ccccc3)C2)CC1 ZINC000512177124 920914998 /nfs/dbraw/zinc/91/49/98/920914998.db2.gz FIXFHENDKLNHQC-QFIPXVFZSA-N 1 0 405.590 4.408 20 30 HIEDRO C=C(C)COc1cc(C[NH+]2CCC(NC(=O)C3CCCCC3)CC2)ccc1OC ZINC000512355355 921100494 /nfs/dbraw/zinc/10/04/94/921100494.db2.gz VPYCCQYTNMFYTC-UHFFFAOYSA-N 1 0 400.563 4.311 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(COc2ccccc2)cc1 ZINC000513471171 921831780 /nfs/dbraw/zinc/83/17/80/921831780.db2.gz KBTCUBVHRKBOQO-UHFFFAOYSA-N 1 0 413.521 4.341 20 30 HIEDRO CC1CC[NH+](CCCCNC(=O)c2cccc(COc3ccccc3C#N)c2)CC1 ZINC000513551962 921888633 /nfs/dbraw/zinc/88/86/33/921888633.db2.gz FRFUDVAQUITROR-UHFFFAOYSA-N 1 0 405.542 4.379 20 30 HIEDRO CCC1(CN[C@H](C(=O)OC)c2cccc(C#N)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000513871448 922200096 /nfs/dbraw/zinc/20/00/96/922200096.db2.gz QXHCGDQROFLSJE-QHCPKHFHSA-N 1 0 405.542 4.054 20 30 HIEDRO C=CCc1cc(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cc(OC)c1OC ZINC000513883860 922213356 /nfs/dbraw/zinc/21/33/56/922213356.db2.gz LWUNMNRNQFHULC-QFIPXVFZSA-N 1 0 423.557 4.069 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cc(-c2ccccc2)on1 ZINC000514874328 922827393 /nfs/dbraw/zinc/82/73/93/922827393.db2.gz QSYMKCJHWVWVTG-UHFFFAOYSA-N 1 0 409.559 4.440 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccccc1 ZINC000515375131 923070884 /nfs/dbraw/zinc/07/08/84/923070884.db2.gz YJKITHVOEWERAC-HXUWFJFHSA-N 1 0 405.527 4.030 20 30 HIEDRO CN1CCO[C@@H]([C@H](NCc2ccc(C#N)cc2C(F)(F)F)c2ccc(Cl)cc2)C1 ZINC000515564500 923181369 /nfs/dbraw/zinc/18/13/69/923181369.db2.gz PMDBIJYLQCCQMV-WOJBJXKFSA-N 1 0 423.866 4.392 20 30 HIEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000515715368 923298194 /nfs/dbraw/zinc/29/81/94/923298194.db2.gz YHAVXSHHMFIBLT-UHFFFAOYSA-N 1 0 421.541 4.393 20 30 HIEDRO N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)o1 ZINC000515771546 923338618 /nfs/dbraw/zinc/33/86/18/923338618.db2.gz VFOPARFEFVFVPE-QFIPXVFZSA-N 1 0 415.493 4.297 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2nccs2)c1 ZINC000515799955 923358311 /nfs/dbraw/zinc/35/83/11/923358311.db2.gz HJPMXIGGUWIPPS-UHFFFAOYSA-N 1 0 405.527 4.277 20 30 HIEDRO CC(=O)c1ccc(C#N)c(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000516317930 923659987 /nfs/dbraw/zinc/65/99/87/923659987.db2.gz DDLRRELIDHJFCL-QHCPKHFHSA-N 1 0 403.526 4.102 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000517319448 924100280 /nfs/dbraw/zinc/10/02/80/924100280.db2.gz VFXRXIQTCMUSIN-LJQANCHMSA-N 1 0 406.368 4.336 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(C(=O)N3CCc4ccccc43)c2)CC1 ZINC000517327998 924105010 /nfs/dbraw/zinc/10/50/10/924105010.db2.gz WAEZEMXRWLZTIB-UHFFFAOYSA-N 1 0 418.541 4.052 20 30 HIEDRO COc1ccc2c(c1)CCC[C@H]2[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000517605856 926714952 /nfs/dbraw/zinc/71/49/52/926714952.db2.gz DKGJMAPZLCTZOM-HXUWFJFHSA-N 1 0 409.555 4.455 20 30 HIEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000517654598 926761702 /nfs/dbraw/zinc/76/17/02/926761702.db2.gz ZJVBZDRUTAXGSZ-PGRDOPGGSA-N 1 0 412.493 4.311 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000518098805 927020672 /nfs/dbraw/zinc/02/06/72/927020672.db2.gz ITLALPUQRIFCNL-QFIPXVFZSA-N 1 0 418.541 4.424 20 30 HIEDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000518264709 927123285 /nfs/dbraw/zinc/12/32/85/927123285.db2.gz MLRQKATZDLARQB-KZNAEPCWSA-N 1 0 407.518 4.233 20 30 HIEDRO CCOc1cccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1OC(F)F ZINC000518302744 927162863 /nfs/dbraw/zinc/16/28/63/927162863.db2.gz WOAGJAMKIYZNLB-QGZVFWFLSA-N 1 0 419.447 4.456 20 30 HIEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000518375597 927228343 /nfs/dbraw/zinc/22/83/43/927228343.db2.gz KZJAWBZEOKUTNU-UHFFFAOYSA-N 1 0 418.585 4.145 20 30 HIEDRO CCc1ccc([C@H](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[NH+](C)C)cc1 ZINC000518389938 927236133 /nfs/dbraw/zinc/23/61/33/927236133.db2.gz IXNVXEVRXLOAIT-QHCPKHFHSA-N 1 0 414.509 4.341 20 30 HIEDRO C=CCc1cc(C(=O)N2CCC([N@@H+]3CCc4ccccc4C3)CC2)cc(OC)c1OC ZINC000518652157 927406639 /nfs/dbraw/zinc/40/66/39/927406639.db2.gz ALQVLRPQHCTTDS-UHFFFAOYSA-N 1 0 420.553 4.095 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2COc3ccccc3C2)cc1OC ZINC000518804520 927501697 /nfs/dbraw/zinc/50/16/97/927501697.db2.gz HEZZGBFSNCDKOI-MRXNPFEDSA-N 1 0 404.304 4.116 20 30 HIEDRO N#Cc1ccc(C(F)(F)F)nc1SC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000518803302 927502212 /nfs/dbraw/zinc/50/22/12/927502212.db2.gz SLLKMZDSIHZHSU-QGZVFWFLSA-N 1 0 407.461 4.355 20 30 HIEDRO CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000519705087 928052058 /nfs/dbraw/zinc/05/20/58/928052058.db2.gz KAMHLXIXOFMKJU-MBSDFSHPSA-N 1 0 421.541 4.322 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000520195030 928382361 /nfs/dbraw/zinc/38/23/61/928382361.db2.gz PZOYDKHFOGPYNX-KRWDZBQOSA-N 1 0 412.559 4.343 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccccc3OCc3ccncc3)C2)c(F)c1 ZINC000520247362 928415790 /nfs/dbraw/zinc/41/57/90/928415790.db2.gz FQLRLOGMKWXZBK-QFIPXVFZSA-N 1 0 416.500 4.430 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)C1CCC(C(C)(C)C)CC1 ZINC000520525545 928619177 /nfs/dbraw/zinc/61/91/77/928619177.db2.gz PKDWUUKJJOLABT-UHFFFAOYSA-N 1 0 416.610 4.488 20 30 HIEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000520952232 928887409 /nfs/dbraw/zinc/88/74/09/928887409.db2.gz GVCUTDBVDMYYRO-IBGZPJMESA-N 1 0 418.434 4.224 20 30 HIEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000521114111 929003678 /nfs/dbraw/zinc/00/36/78/929003678.db2.gz SWOMVRAYVKYYTR-QZTJIDSGSA-N 1 0 406.530 4.232 20 30 HIEDRO COCC[N@H+](C)CCCNC(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC000521186874 929051162 /nfs/dbraw/zinc/05/11/62/929051162.db2.gz HCQOQROZIGLUBM-UHFFFAOYSA-N 1 0 416.909 4.094 20 30 HIEDRO C=CC[N@H+](Cc1ccccc1OCC(F)(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000524756071 929820244 /nfs/dbraw/zinc/82/02/44/929820244.db2.gz WKOCYHBECYFVAO-MRXNPFEDSA-N 1 0 417.435 4.353 20 30 HIEDRO C=CCCCCCN(C)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000524800369 929834168 /nfs/dbraw/zinc/83/41/68/929834168.db2.gz PHBWGXMMKLRKHY-IBGZPJMESA-N 1 0 404.574 4.416 20 30 HIEDRO COc1ccc2sc(C(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)c(C)c2c1 ZINC000525162661 930072746 /nfs/dbraw/zinc/07/27/46/930072746.db2.gz MBGVBSWHHKSLAV-UHFFFAOYSA-N 1 0 407.539 4.294 20 30 HIEDRO N#Cc1cccc(OC2CC[NH+](CCc3nc(-c4cccc(Cl)c4)no3)CC2)c1 ZINC000525422439 930231984 /nfs/dbraw/zinc/23/19/84/930231984.db2.gz ZHVPLFCWYHXTQS-UHFFFAOYSA-N 1 0 408.889 4.348 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)cc1OC ZINC000525708813 930412067 /nfs/dbraw/zinc/41/20/67/930412067.db2.gz CONLHVWPWKXMOT-ZMYBRWDISA-N 1 0 410.352 4.316 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000525761011 930434317 /nfs/dbraw/zinc/43/43/17/930434317.db2.gz JOXSVTVJHXIIBU-MOPGFXCFSA-N 1 0 409.530 4.468 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc(C#N)cc1 ZINC000531695241 931158355 /nfs/dbraw/zinc/15/83/55/931158355.db2.gz BWLGEGUMDZPUHR-IAGOWNOFSA-N 1 0 409.511 4.042 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(-c2ccc(OC(F)F)cc2)s1 ZINC000531814888 931206112 /nfs/dbraw/zinc/20/61/12/931206112.db2.gz QJOZJBNAEBYANQ-UHFFFAOYSA-N 1 0 407.486 4.324 20 30 HIEDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000531970375 931270366 /nfs/dbraw/zinc/27/03/66/931270366.db2.gz WAHWMBJUBRFRBB-YLJYHZDGSA-N 1 0 408.521 4.235 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)c1 ZINC000532701372 931595094 /nfs/dbraw/zinc/59/50/94/931595094.db2.gz SXFLYZMEZHMCRE-MLCQCVOFSA-N 1 0 410.606 4.276 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(Oc3ccc(F)cc3)CC2)cc1Cl ZINC000532977063 931723276 /nfs/dbraw/zinc/72/32/76/931723276.db2.gz KVQCLZSMRLGLMO-UHFFFAOYSA-N 1 0 401.869 4.223 20 30 HIEDRO N#Cc1ccccc1N1CCC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000533284802 931827608 /nfs/dbraw/zinc/82/76/08/931827608.db2.gz YODIXKKRNQRSBU-UHFFFAOYSA-N 1 0 417.340 4.406 20 30 HIEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000533382522 931853896 /nfs/dbraw/zinc/85/38/96/931853896.db2.gz RZDPCSSVEGZXHZ-QGZVFWFLSA-N 1 0 419.504 4.217 20 30 HIEDRO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@@H+]1CCC3(C1)CCCCC3)CCCC2 ZINC000533433034 931867155 /nfs/dbraw/zinc/86/71/55/931867155.db2.gz HDBGSCBPVKGJFC-LJQANCHMSA-N 1 0 424.589 4.012 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@@H](c3ccccc3)C[C@H]2C)c1C#N ZINC000533434994 931867859 /nfs/dbraw/zinc/86/78/59/931867859.db2.gz GPKQRYXAVXSQQH-UTKZUKDTSA-N 1 0 416.525 4.434 20 30 HIEDRO CC(C)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)CCc1nccs1 ZINC000533598462 931914237 /nfs/dbraw/zinc/91/42/37/931914237.db2.gz VXPWRTRDFQABLG-UHFFFAOYSA-N 1 0 402.589 4.237 20 30 HIEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)C2)CC1 ZINC000533699665 931976535 /nfs/dbraw/zinc/97/65/35/931976535.db2.gz QXKLGGMMGFKYCG-JOCHJYFZSA-N 1 0 403.526 4.349 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CC[C@@H]([NH+]3CCCC3)C2)cc1OCC ZINC000534347945 932389114 /nfs/dbraw/zinc/38/91/14/932389114.db2.gz MVZLYSAPSZTVRF-QGZVFWFLSA-N 1 0 409.368 4.083 20 30 HIEDRO C[C@@H](c1ncc(-c2ccc(Cl)cc2Cl)o1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000534835101 932801120 /nfs/dbraw/zinc/80/11/20/932801120.db2.gz JKYWSPAPOFVFKA-NSHDSACASA-N 1 0 419.316 4.451 20 30 HIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000535071790 932897801 /nfs/dbraw/zinc/89/78/01/932897801.db2.gz ZEWXGLBKIXFGKO-HQMWTILSSA-N 1 0 403.570 4.270 20 30 HIEDRO COCCCOc1cc(C)ccc1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000537293122 933700801 /nfs/dbraw/zinc/70/08/01/933700801.db2.gz IONGRRZVQDAYTO-UHFFFAOYSA-N 1 0 407.558 4.036 20 30 HIEDRO CC1CC[NH+]([C@H](CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)c2cccs2)CC1 ZINC000537302577 933705840 /nfs/dbraw/zinc/70/58/40/933705840.db2.gz XYBOTRVPISKJFD-OAQYLSRUSA-N 1 0 419.554 4.008 20 30 HIEDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000537307294 933707790 /nfs/dbraw/zinc/70/77/90/933707790.db2.gz XRNOCEGWDXAJKI-SANMLTNESA-N 1 0 413.569 4.367 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CN(C)Cc3ccccc32)cc1OC ZINC000537317538 933714446 /nfs/dbraw/zinc/71/44/46/933714446.db2.gz KSCPIBUYHPIKSV-IBGZPJMESA-N 1 0 417.347 4.299 20 30 HIEDRO C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[NH+](C2CC2)CC1 ZINC000562755081 945116194 /nfs/dbraw/zinc/11/61/94/945116194.db2.gz PGGPJRCYIWZSLI-UHFFFAOYSA-N 1 0 420.586 4.238 20 30 HIEDRO C=CCOc1ccccc1C[NH+]1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC000537636372 938342311 /nfs/dbraw/zinc/34/23/11/938342311.db2.gz GDGJCWAHINSBHL-QGZVFWFLSA-N 1 0 420.509 4.066 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)cc1OCC ZINC000537687195 938354360 /nfs/dbraw/zinc/35/43/60/938354360.db2.gz DEUXFAJXNJUVDQ-AEFFLSMTSA-N 1 0 410.352 4.414 20 30 HIEDRO CCc1nc2ccccc2n1C1CC[NH+](CCC(=O)Nc2cccc(C#N)c2)CC1 ZINC000537852857 938390279 /nfs/dbraw/zinc/39/02/79/938390279.db2.gz PYKDRLZPGBENSO-UHFFFAOYSA-N 1 0 401.514 4.136 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1ccsc1 ZINC000538069422 938493505 /nfs/dbraw/zinc/49/35/05/938493505.db2.gz MMNBLQHANFOWQJ-JOCHJYFZSA-N 1 0 404.539 4.389 20 30 HIEDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccc1OC1CCCC1 ZINC000538155430 938526012 /nfs/dbraw/zinc/52/60/12/938526012.db2.gz MELBVTNNEDDAGU-QQMNAOGKSA-N 1 0 401.551 4.110 20 30 HIEDRO COc1ccc(C2([NH2+]CC(=O)Nc3c(C#N)c(C)c(C)n3C3CCCC3)CC2)cc1 ZINC000538160428 938529090 /nfs/dbraw/zinc/52/90/90/938529090.db2.gz XGWGYYCGHFYKMF-UHFFFAOYSA-N 1 0 406.530 4.318 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)c1C ZINC000538208167 938555661 /nfs/dbraw/zinc/55/56/61/938555661.db2.gz OXSYNCDZPHNGIT-HXUWFJFHSA-N 1 0 418.541 4.028 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)ccc1Cl ZINC000538239122 938570401 /nfs/dbraw/zinc/57/04/01/938570401.db2.gz FIUHNHMLOYDMSM-SFHVURJKSA-N 1 0 421.932 4.432 20 30 HIEDRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)cnn1-c1ccc(F)cc1 ZINC000538264741 938578438 /nfs/dbraw/zinc/57/84/38/938578438.db2.gz WKNLHJUUVIGEEA-ZDUSSCGKSA-N 1 0 411.868 4.134 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(Cl)c(C#N)c1 ZINC000538685736 938684007 /nfs/dbraw/zinc/68/40/07/938684007.db2.gz PXEKIJCCRUQLCC-UHFFFAOYSA-N 1 0 409.839 4.434 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2Cn2cnc3ccccc32)c1C ZINC000538782858 938709630 /nfs/dbraw/zinc/70/96/30/938709630.db2.gz JRMRXMIPMMVIGU-NRFANRHFSA-N 1 0 415.541 4.064 20 30 HIEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2ccc(-c3ccccc3C#N)cc2)o1 ZINC000539209504 938819301 /nfs/dbraw/zinc/81/93/01/938819301.db2.gz CUVUTDBWIQSOSJ-UHFFFAOYSA-N 1 0 416.525 4.400 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(OCc2cccnc2)cc1 ZINC000539225136 938821523 /nfs/dbraw/zinc/82/15/23/938821523.db2.gz FTRUDXZNPXXTKS-MRXNPFEDSA-N 1 0 420.900 4.475 20 30 HIEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccc2c(c1)OCCO2 ZINC000539276834 938831778 /nfs/dbraw/zinc/83/17/78/938831778.db2.gz LBZYLDLAJXFCIQ-NRFANRHFSA-N 1 0 407.514 4.062 20 30 HIEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000539277230 938831792 /nfs/dbraw/zinc/83/17/92/938831792.db2.gz OLAUBKAOLWMQLL-LJQANCHMSA-N 1 0 413.905 4.099 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000539293748 938835397 /nfs/dbraw/zinc/83/53/97/938835397.db2.gz XEFIJLZRMTVRKT-HFJQGTKSSA-N 1 0 409.555 4.244 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)c1C ZINC000539333900 938843448 /nfs/dbraw/zinc/84/34/48/938843448.db2.gz JKMCIGYVKKTRLR-GGAORHGYSA-N 1 0 405.542 4.308 20 30 HIEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]CC#Cc3ccc(OC(F)(F)F)cc3)ccc2NC1=O ZINC000539359168 938848157 /nfs/dbraw/zinc/84/81/57/938848157.db2.gz FAKIPEYKBIROJX-AUUYWEPGSA-N 1 0 418.415 4.397 20 30 HIEDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc1[N+](=O)[O-] ZINC000539376315 938851316 /nfs/dbraw/zinc/85/13/16/938851316.db2.gz AYOBYNJVNMTJDU-MRXNPFEDSA-N 1 0 414.893 4.463 20 30 HIEDRO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000539496298 938868628 /nfs/dbraw/zinc/86/86/28/938868628.db2.gz GNKJRLZTHHBKMX-JOCHJYFZSA-N 1 0 424.976 4.053 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]CCOc3ccccc3C(F)(F)F)CC2)cc1 ZINC000539508891 938870936 /nfs/dbraw/zinc/87/09/36/938870936.db2.gz BTOUPMPUAHMQAH-UHFFFAOYSA-N 1 0 403.448 4.210 20 30 HIEDRO CC(C)(C)OC(=O)C1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000539875034 938963097 /nfs/dbraw/zinc/96/30/97/938963097.db2.gz XFLFYYSNSAIVDY-UHFFFAOYSA-N 1 0 408.546 4.454 20 30 HIEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000540309942 939189647 /nfs/dbraw/zinc/18/96/47/939189647.db2.gz YPTVWDVRNBQXFH-DHLKQENFSA-N 1 0 414.553 4.384 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1C ZINC000540342585 939200828 /nfs/dbraw/zinc/20/08/28/939200828.db2.gz XSSOMSCEDOVMMV-RUZDIDTESA-N 1 0 421.541 4.308 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(OCC(F)(F)F)cc1 ZINC000540363945 939210769 /nfs/dbraw/zinc/21/07/69/939210769.db2.gz WAVHAXITOJRYLK-LBPRGKRZSA-N 1 0 411.811 4.442 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)cc1Br ZINC000540370698 939213684 /nfs/dbraw/zinc/21/36/84/939213684.db2.gz UWPMYSXMHNUFAS-CYBMUJFWSA-N 1 0 402.292 4.009 20 30 HIEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@H](c2ccc(Br)cc2)C2CCC2)cc1 ZINC000540376165 939216050 /nfs/dbraw/zinc/21/60/50/939216050.db2.gz CZLKONBLHVPICI-NRFANRHFSA-N 1 0 412.331 4.068 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)sc2c1CCCC2 ZINC000540389967 939226962 /nfs/dbraw/zinc/22/69/62/939226962.db2.gz KYAOONLPPCYKEZ-HTAPYJJXSA-N 1 0 409.555 4.195 20 30 HIEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)c1 ZINC000540408860 939238019 /nfs/dbraw/zinc/23/80/19/939238019.db2.gz XQXONZXHCMZWHO-QHCPKHFHSA-N 1 0 405.448 4.026 20 30 HIEDRO C[C@@H]([NH2+]CCC(=O)NCC(=O)c1ccccc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541085635 939454760 /nfs/dbraw/zinc/45/47/60/939454760.db2.gz HEWTWFUYTDKBRS-LJQANCHMSA-N 1 0 411.505 4.265 20 30 HIEDRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541131992 939471996 /nfs/dbraw/zinc/47/19/96/939471996.db2.gz DBCOCCUUIIRYRA-UUOWRZLLSA-N 1 0 403.526 4.046 20 30 HIEDRO N#Cc1ccc(-n2ccc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)n2)c(Cl)c1 ZINC000541140790 939474611 /nfs/dbraw/zinc/47/46/11/939474611.db2.gz MWGSHYMKBCPDQF-UHFFFAOYSA-N 1 0 405.889 4.245 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541176231 939484385 /nfs/dbraw/zinc/48/43/85/939484385.db2.gz ZMYHOBNNOKIGSP-IAGOWNOFSA-N 1 0 405.523 4.284 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(OC)c2)cc1 ZINC000541320586 939490805 /nfs/dbraw/zinc/49/08/05/939490805.db2.gz ZNBIYADCRPJBIC-NTKDMRAZSA-N 1 0 421.541 4.424 20 30 HIEDRO COCC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(C)o1 ZINC000541649320 939586946 /nfs/dbraw/zinc/58/69/46/939586946.db2.gz QROAELVNEQWOGA-KRWDZBQOSA-N 1 0 401.532 4.096 20 30 HIEDRO CN(c1ccccc1CNc1ccn(-c2ccc(C#N)cc2F)n1)C1CC[NH+](C)CC1 ZINC000541992200 939671978 /nfs/dbraw/zinc/67/19/78/939671978.db2.gz SBKYBJMQWRFLBC-UHFFFAOYSA-N 1 0 418.520 4.026 20 30 HIEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CCC[N@H+](CC4CCCCC4)CC3)n2)c(F)c1 ZINC000542033738 939693692 /nfs/dbraw/zinc/69/36/92/939693692.db2.gz WRCXBYBJQBOFPN-UHFFFAOYSA-N 1 0 424.524 4.003 20 30 HIEDRO C[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542062048 939701705 /nfs/dbraw/zinc/70/17/05/939701705.db2.gz SWZADJDZZRVRQU-HXUWFJFHSA-N 1 0 417.553 4.438 20 30 HIEDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000542146436 939730306 /nfs/dbraw/zinc/73/03/06/939730306.db2.gz GJYGCTBKMUYGCN-RPCJCACASA-N 1 0 406.530 4.213 20 30 HIEDRO COCCN(C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)c1ccc(C#N)cc1 ZINC000542190553 939750589 /nfs/dbraw/zinc/75/05/89/939750589.db2.gz SZCJEFPCSACKAV-UHFFFAOYSA-N 1 0 413.521 4.483 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)CN[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccc1Cl ZINC000542529689 939837855 /nfs/dbraw/zinc/83/78/55/939837855.db2.gz PCDCPUCGJSYAHB-RBUKOAKNSA-N 1 0 416.997 4.138 20 30 HIEDRO Cc1sc(NC(=O)C[N@@H+](C)[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(C#N)c1C ZINC000542629179 939850348 /nfs/dbraw/zinc/85/03/48/939850348.db2.gz XLUQASXVWOFGIL-HKUYNNGSSA-N 1 0 401.507 4.166 20 30 HIEDRO N#CCc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cc1 ZINC000543140554 939966724 /nfs/dbraw/zinc/96/67/24/939966724.db2.gz PPTGDBXSHHYPNX-UHFFFAOYSA-N 1 0 412.331 4.366 20 30 HIEDRO CC(C)([C@@H](NCC(=O)Nc1sccc1C#N)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000543449813 940066709 /nfs/dbraw/zinc/06/67/09/940066709.db2.gz RTPRCFLEMJXBGO-IBGZPJMESA-N 1 0 418.513 4.042 20 30 HIEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000543515715 940092299 /nfs/dbraw/zinc/09/22/99/940092299.db2.gz JMZLRPBSXSSNKF-FKIZINRSSA-N 1 0 402.951 4.231 20 30 HIEDRO COc1cc(C[N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)ccc1OC(F)F ZINC000543702119 940165251 /nfs/dbraw/zinc/16/52/51/940165251.db2.gz LXOPJZKNWZUZSZ-UHFFFAOYSA-N 1 0 412.440 4.201 20 30 HIEDRO C=CCn1c(SCCCN2CC[NH+](C)CC2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000543743774 940173906 /nfs/dbraw/zinc/17/39/06/940173906.db2.gz KJMBUFZWZINFBO-UHFFFAOYSA-N 1 0 413.635 4.158 20 30 HIEDRO C=CCc1cc(C[NH2+][C@H]2CCN(CC)[C@@H]2c2cc(F)c(F)c(F)c2)cc(OC)c1O ZINC000543849013 940207784 /nfs/dbraw/zinc/20/77/84/940207784.db2.gz FPTWYSKMZOJODY-SIKLNZKXSA-N 1 0 420.475 4.472 20 30 HIEDRO C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543873254 940219552 /nfs/dbraw/zinc/21/95/52/940219552.db2.gz RDILGMQHZKLFJT-SFHVURJKSA-N 1 0 415.518 4.221 20 30 HIEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H]1c1cccc(OC)c1 ZINC000544125635 940332702 /nfs/dbraw/zinc/33/27/02/940332702.db2.gz NIVLEVWTTRNYFU-RZPHLTDDSA-N 1 0 405.542 4.234 20 30 HIEDRO COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000544130852 940334140 /nfs/dbraw/zinc/33/41/40/940334140.db2.gz VYQWYXHASRRYIU-GPXOXTDOSA-N 1 0 405.542 4.280 20 30 HIEDRO COCCOc1ccc(C#N)cc1NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000544221955 940359108 /nfs/dbraw/zinc/35/91/08/940359108.db2.gz YYALIKPKEOKHPE-UHFFFAOYSA-N 1 0 422.529 4.256 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1C ZINC000544335350 940393473 /nfs/dbraw/zinc/39/34/73/940393473.db2.gz RCHLLRLUCJVCRF-FQEVSTJZSA-N 1 0 407.562 4.075 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@H+](C)CCc2ccncc2)cc1OCC ZINC000544599459 940487903 /nfs/dbraw/zinc/48/79/03/940487903.db2.gz SSHHIVXWKWIHIE-UHFFFAOYSA-N 1 0 405.336 4.482 20 30 HIEDRO C[N@@H+]1CCCN(c2ccc(-c3noc(CCc4ccc(C#N)cc4)n3)cc2Cl)CC1 ZINC000545775587 940584994 /nfs/dbraw/zinc/58/49/94/940584994.db2.gz OBTQLVHPOKZJTM-UHFFFAOYSA-N 1 0 421.932 4.189 20 30 HIEDRO CCN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546227248 940735478 /nfs/dbraw/zinc/73/54/78/940735478.db2.gz PBIGHQPHMQMSKH-JOCHJYFZSA-N 1 0 414.553 4.334 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000564041469 945361779 /nfs/dbraw/zinc/36/17/79/945361779.db2.gz HGSOYBBYQXLIIC-HNNXBMFYSA-N 1 0 400.523 4.461 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]C(C)(C)c2cnn(C)c2)cc1OCC ZINC000547410379 941061166 /nfs/dbraw/zinc/06/11/66/941061166.db2.gz NUSHWQJIBLGLMN-UHFFFAOYSA-N 1 0 408.340 4.171 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(F)cc3Br)CC2)cc1 ZINC000548308468 941095178 /nfs/dbraw/zinc/09/51/78/941095178.db2.gz YEIWDQSVFKGKSB-UHFFFAOYSA-N 1 0 402.311 4.214 20 30 HIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1cc(Cl)ccc1C#N ZINC000548931913 941130603 /nfs/dbraw/zinc/13/06/03/941130603.db2.gz HUIUVPHDEMMWQI-NRFANRHFSA-N 1 0 410.949 4.040 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000549173336 941168262 /nfs/dbraw/zinc/16/82/62/941168262.db2.gz JWODTUWIHUUECR-LSDHHAIUSA-N 1 0 400.320 4.018 20 30 HIEDRO Cc1nc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1C#N ZINC000549330255 941180553 /nfs/dbraw/zinc/18/05/53/941180553.db2.gz VWBIOVNMELZSNC-HUDNXNEVSA-N 1 0 408.933 4.259 20 30 HIEDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000549528034 941198088 /nfs/dbraw/zinc/19/80/88/941198088.db2.gz PQYRQGFJSQLSTO-NBPAUJCUSA-N 1 0 413.587 4.153 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000549638721 941202374 /nfs/dbraw/zinc/20/23/74/941202374.db2.gz SHUQTROOCAAGOR-GOSISDBHSA-N 1 0 417.504 4.187 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000549637746 941202412 /nfs/dbraw/zinc/20/24/12/941202412.db2.gz JOTRSYQDDGYTGG-FQEVSTJZSA-N 1 0 409.578 4.286 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000549698097 941204936 /nfs/dbraw/zinc/20/49/36/941204936.db2.gz ASGPPERSLBTEEN-RTBURBONSA-N 1 0 415.557 4.301 20 30 HIEDRO C[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)cc1F ZINC000551263485 941438718 /nfs/dbraw/zinc/43/87/18/941438718.db2.gz RMMKJOHSXXCUKW-DENIHFKCSA-N 1 0 407.533 4.277 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cscc2C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000551288910 941443868 /nfs/dbraw/zinc/44/38/68/941443868.db2.gz BWWOJHJYCGTZPB-KDOFPFPSSA-N 1 0 407.461 4.451 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](CCC(C)C)c2ccc(Cl)cc2)CC1 ZINC000551368171 941463104 /nfs/dbraw/zinc/46/31/04/941463104.db2.gz CRMUSSRKWPQADK-NRFANRHFSA-N 1 0 419.997 4.090 20 30 HIEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 ZINC000551417355 941474787 /nfs/dbraw/zinc/47/47/87/941474787.db2.gz AWGXWBZKTSQCIX-OAQYLSRUSA-N 1 0 417.431 4.273 20 30 HIEDRO CC[NH+](CC)CCNC(=O)c1ccc(NCc2ccc(F)c(C#N)c2Cl)cc1 ZINC000551451349 941481922 /nfs/dbraw/zinc/48/19/22/941481922.db2.gz JXJZIXHWFRPCLJ-UHFFFAOYSA-N 1 0 402.901 4.034 20 30 HIEDRO N#Cc1cccc(NC(=O)C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1 ZINC000551721407 941533371 /nfs/dbraw/zinc/53/33/71/941533371.db2.gz STGGWVFZSGZUED-OAQYLSRUSA-N 1 0 417.431 4.273 20 30 HIEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(-c2csc(C)n2)s1 ZINC000551961290 941564113 /nfs/dbraw/zinc/56/41/13/941564113.db2.gz WSWSGHJDAUHQOA-KRWDZBQOSA-N 1 0 400.569 4.438 20 30 HIEDRO COc1ccc([C@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)N2CCCCC2)cc1 ZINC000552034045 941571500 /nfs/dbraw/zinc/57/15/00/941571500.db2.gz AWUYWPMOVXNUPP-SANMLTNESA-N 1 0 418.585 4.352 20 30 HIEDRO COc1cc2[nH]c(CCC[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)cc2c(OC)c1 ZINC000552043390 941572601 /nfs/dbraw/zinc/57/26/01/941572601.db2.gz KZECXMFOOIYZFN-UHFFFAOYSA-N 1 0 418.541 4.248 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCOc1ccc(F)cc1Cl ZINC000552300479 941626677 /nfs/dbraw/zinc/62/66/77/941626677.db2.gz JRPAAEAZGMKWCN-UHFFFAOYSA-N 1 0 424.973 4.456 20 30 HIEDRO N#Cc1ccsc1C(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000552850252 941787367 /nfs/dbraw/zinc/78/73/67/941787367.db2.gz VFWWHZVRXSOYEM-QFIPXVFZSA-N 1 0 416.550 4.322 20 30 HIEDRO C[NH+](C)CCC1CCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000552993088 941812980 /nfs/dbraw/zinc/81/29/80/941812980.db2.gz LZCQMOZBPJCLBH-UHFFFAOYSA-N 1 0 416.997 4.008 20 30 HIEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000553542737 941905597 /nfs/dbraw/zinc/90/55/97/941905597.db2.gz KVPMGWGJEKJVRC-UHFFFAOYSA-N 1 0 409.505 4.223 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000554479792 942156903 /nfs/dbraw/zinc/15/69/03/942156903.db2.gz XBGKRFYXPTVZRS-OAQYLSRUSA-N 1 0 413.566 4.372 20 30 HIEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000555249635 942445698 /nfs/dbraw/zinc/44/56/98/942445698.db2.gz UTVXSDSOZBYYPV-HXUWFJFHSA-N 1 0 416.573 4.382 20 30 HIEDRO C=C(C)Cn1c(N2CC[C@H](C[NH+](CC)CC)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000555263743 942452573 /nfs/dbraw/zinc/45/25/73/942452573.db2.gz IRVPSUYZXYKTKF-GOSISDBHSA-N 1 0 419.520 4.151 20 30 HIEDRO COc1cc(C#N)ccc1OCC[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000555696418 942702743 /nfs/dbraw/zinc/70/27/43/942702743.db2.gz DKTLLECPIXGMEU-UHFFFAOYSA-N 1 0 418.896 4.120 20 30 HIEDRO N#Cc1ccsc1NC(=O)CC[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000555696632 942703647 /nfs/dbraw/zinc/70/36/47/942703647.db2.gz JJAIXYJBBYCRKH-UHFFFAOYSA-N 1 0 421.925 4.122 20 30 HIEDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](CCCC#N)c3ccccc3)CC2)cc1 ZINC000556197760 942817680 /nfs/dbraw/zinc/81/76/80/942817680.db2.gz MLJAGLLMSUABQD-QHCPKHFHSA-N 1 0 411.571 4.173 20 30 HIEDRO CN(C(=O)c1ccc(NCc2ccc(F)c(C#N)c2Cl)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000556338097 942844723 /nfs/dbraw/zinc/84/47/23/942844723.db2.gz UXDYUVRGJVKJQH-SFHVURJKSA-N 1 0 414.912 4.129 20 30 HIEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@H](c1cccc(C(F)(F)F)c1)C1CCOCC1 ZINC000556514272 942889814 /nfs/dbraw/zinc/88/98/14/942889814.db2.gz ZTHAWGWODJNSDR-SFHVURJKSA-N 1 0 423.460 4.335 20 30 HIEDRO C[C@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000556599235 942911138 /nfs/dbraw/zinc/91/11/38/942911138.db2.gz ILLKYANFHYGQAJ-SFHVURJKSA-N 1 0 409.555 4.073 20 30 HIEDRO CC(C)(CCC#N)C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000558238430 943452227 /nfs/dbraw/zinc/45/22/27/943452227.db2.gz HGUOUXSMJFYXCL-HXUWFJFHSA-N 1 0 406.498 4.377 20 30 HIEDRO CN1CC[C@@H]([NH2+]Cc2ccc(Br)cc2C#N)[C@H]1c1ccc(F)c(F)c1 ZINC000558466656 943566928 /nfs/dbraw/zinc/56/69/28/943566928.db2.gz PBMPVRNYKITUHV-RTBURBONSA-N 1 0 406.274 4.134 20 30 HIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@H](C)c2ccc(C#N)cc2)c1C#N ZINC000558737822 943636133 /nfs/dbraw/zinc/63/61/33/943636133.db2.gz JENHRLDQZUEXCR-GOSISDBHSA-N 1 0 411.509 4.186 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3cc([N+](=O)[O-])ccc3C(F)(F)F)CC2)cc1 ZINC000559033768 943811240 /nfs/dbraw/zinc/81/12/40/943811240.db2.gz CBLOWZVMBSMUQF-UHFFFAOYSA-N 1 0 418.419 4.193 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1ccc(OCc2cccnc2)cc1 ZINC000559560581 944005274 /nfs/dbraw/zinc/00/52/74/944005274.db2.gz CIMMBHIECAWWRR-IIBYNOLFSA-N 1 0 418.522 4.050 20 30 HIEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)[C@H]1c1ccccc1 ZINC000559687401 944029185 /nfs/dbraw/zinc/02/91/85/944029185.db2.gz YJNAUIDEXDKJGX-LEWJYISDSA-N 1 0 417.538 4.172 20 30 HIEDRO C=CCCc1ccccc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1cnn(C)c1 ZINC000560713185 944306513 /nfs/dbraw/zinc/30/65/13/944306513.db2.gz WXEFJYRIAAFNON-RPWUZVMVSA-N 1 0 414.553 4.393 20 30 HIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000560997360 944391534 /nfs/dbraw/zinc/39/15/34/944391534.db2.gz BAEINOCRLAUOKV-JOCHJYFZSA-N 1 0 402.542 4.147 20 30 HIEDRO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2ccc(OCc3cccnc3)cc2)c(C#N)c1C ZINC000561089020 944441741 /nfs/dbraw/zinc/44/17/41/944441741.db2.gz FBWXQMXCQBHOHD-INIZCTEOSA-N 1 0 404.470 4.031 20 30 HIEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2F)cc1 ZINC000561160557 944488811 /nfs/dbraw/zinc/48/88/11/944488811.db2.gz IONKOOFFFZMGAV-PXDATVDWSA-N 1 0 404.485 4.205 20 30 HIEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000561365477 944563615 /nfs/dbraw/zinc/56/36/15/944563615.db2.gz SFRWASZTACRJGF-JQJXBVGUSA-N 1 0 411.590 4.029 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)C2CCC(F)(F)CC2)c1C#N ZINC000561958430 944875204 /nfs/dbraw/zinc/87/52/04/944875204.db2.gz VISTUAQTMGZNQD-UHFFFAOYSA-N 1 0 418.488 4.456 20 30 HIEDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000561957915 944875540 /nfs/dbraw/zinc/87/55/40/944875540.db2.gz UPWHJPBUAVWRFT-XYJFISCASA-N 1 0 406.448 4.293 20 30 HIEDRO C=CCn1c(CSc2ccc(Cl)cc2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000562024257 944899226 /nfs/dbraw/zinc/89/92/26/944899226.db2.gz GYTXIYATVSFLDH-QGZVFWFLSA-N 1 0 403.983 4.083 20 30 HIEDRO N#CC1(CCC[N@H+](CCc2ccc(Cl)cc2)C[C@@H](O)C(F)(F)F)CCOCC1 ZINC000564152106 945402776 /nfs/dbraw/zinc/40/27/76/945402776.db2.gz MADLWELFTWEXCX-GOSISDBHSA-N 1 0 418.887 4.208 20 30 HIEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000564284666 945496834 /nfs/dbraw/zinc/49/68/34/945496834.db2.gz JOVZKMCNUHNDPX-BAGYTPMASA-N 1 0 418.459 4.437 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000564393525 945552464 /nfs/dbraw/zinc/55/24/64/945552464.db2.gz NMXGGKLWEKFWFR-MONBJTKQSA-N 1 0 408.571 4.054 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)Cc1ccccc1 ZINC000564440917 945589049 /nfs/dbraw/zinc/58/90/49/945589049.db2.gz HWJZOJGCVZKKKO-OAQYLSRUSA-N 1 0 415.497 4.040 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CCCN(c3ccc(F)c(F)c3)CC2)c(-c2ccccc2)n1 ZINC000565730061 945872548 /nfs/dbraw/zinc/87/25/48/945872548.db2.gz MZKJYLPJATXYGT-UHFFFAOYSA-N 1 0 421.495 4.454 20 30 HIEDRO C=CCn1c(Cc2ccccc2F)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000565860967 945897335 /nfs/dbraw/zinc/89/73/35/945897335.db2.gz IPMGVUIRASMVKZ-UHFFFAOYSA-N 1 0 419.548 4.295 20 30 HIEDRO COc1cccc(C2([NH2+]CC#Cc3ccc(OC(F)(F)F)cc3)CCOCC2)c1F ZINC000566542390 946039572 /nfs/dbraw/zinc/03/95/72/946039572.db2.gz QJNAZJUSZZWTSZ-UHFFFAOYSA-N 1 0 423.406 4.380 20 30 HIEDRO C=C(C)[C@H](CC(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)OCC ZINC000567393319 946323003 /nfs/dbraw/zinc/32/30/03/946323003.db2.gz BXXOHWHXGTZWSS-RPBOFIJWSA-N 1 0 421.585 4.446 20 30 HIEDRO C=C(C)[C@@H](CC(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)OCC ZINC000567393317 946323615 /nfs/dbraw/zinc/32/36/15/946323615.db2.gz BXXOHWHXGTZWSS-JWQCQUIFSA-N 1 0 421.585 4.446 20 30 HIEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000568014854 946442081 /nfs/dbraw/zinc/44/20/81/946442081.db2.gz PXHDSCOUDLSXJH-UHFFFAOYSA-N 1 0 406.578 4.175 20 30 HIEDRO C[C@@H]([NH2+]C1(Cc2cccc(F)c2)CCOCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000568537621 946580479 /nfs/dbraw/zinc/58/04/79/946580479.db2.gz ZROUJARJTQCAKF-OAHLLOKOSA-N 1 0 415.896 4.059 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000568536822 946580768 /nfs/dbraw/zinc/58/07/68/946580768.db2.gz WDVJZNDUVVBKFZ-IFMALSPDSA-N 1 0 418.589 4.484 20 30 HIEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccco1 ZINC000569402320 946868356 /nfs/dbraw/zinc/86/83/56/946868356.db2.gz UWQZMYMGRIKAEI-JXFKEZNVSA-N 1 0 407.470 4.182 20 30 HIEDRO C[C@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000569424902 946874604 /nfs/dbraw/zinc/87/46/04/946874604.db2.gz UOKMYCVMLGXSIE-YRNRMSPPSA-N 1 0 409.555 4.193 20 30 HIEDRO CSc1nc(C2CC2)cc(-c2nc(-c3cccc(OCC[NH+](C)C)c3)no2)c1C#N ZINC000571124540 947519958 /nfs/dbraw/zinc/51/99/58/947519958.db2.gz FFCIGYAROSZKPY-UHFFFAOYSA-N 1 0 421.526 4.210 20 30 HIEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000571146389 947528259 /nfs/dbraw/zinc/52/82/59/947528259.db2.gz OGYUQXQBGPDGIW-FQEVSTJZSA-N 1 0 408.594 4.397 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH+]3CCC(c4noc5cc(F)ccc54)CC3)C2=O)cc1 ZINC000571309943 947589094 /nfs/dbraw/zinc/58/90/94/947589094.db2.gz ICMIHZJTAULDEU-NRFANRHFSA-N 1 0 418.472 4.214 20 30 HIEDRO C=CCn1c(-c2cccnc2)nnc1N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000571365800 947623677 /nfs/dbraw/zinc/62/36/77/947623677.db2.gz SZTNIOYWCQJZAY-UGKGYDQZSA-N 1 0 402.546 4.188 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccccc1 ZINC000571453855 947655652 /nfs/dbraw/zinc/65/56/52/947655652.db2.gz IIGDZXXNPDBSAQ-QFIPXVFZSA-N 1 0 401.470 4.170 20 30 HIEDRO N#CCCCOc1cccnc1NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000571570884 947706123 /nfs/dbraw/zinc/70/61/23/947706123.db2.gz DDMCQXUFOJNESS-OAQYLSRUSA-N 1 0 421.545 4.188 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000572412083 947896666 /nfs/dbraw/zinc/89/66/66/947896666.db2.gz QVWUXKLJTBUMAC-VGOFRKELSA-N 1 0 411.571 4.226 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000572629023 947961263 /nfs/dbraw/zinc/96/12/63/947961263.db2.gz BCPIWZNXVLYWJB-CRAIPNDOSA-N 1 0 417.962 4.386 20 30 HIEDRO Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SC[C@@H](O)C[N@@H+](C)C3CC3)n2)o1 ZINC000572896885 948033414 /nfs/dbraw/zinc/03/34/14/948033414.db2.gz OGGVKFZDCGIJRX-ZDUSSCGKSA-N 1 0 411.449 4.088 20 30 HIEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2)ccn1 ZINC000573410977 948197231 /nfs/dbraw/zinc/19/72/31/948197231.db2.gz POOJVTUFLRZBTH-GAJHUEQPSA-N 1 0 417.513 4.226 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000573591672 948244370 /nfs/dbraw/zinc/24/43/70/948244370.db2.gz SSJHMJIWESIUCD-HSZRJFAPSA-N 1 0 409.578 4.389 20 30 HIEDRO CC(C)[N@H+](C)CC1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000573883530 948319530 /nfs/dbraw/zinc/31/95/30/948319530.db2.gz WKJQQRJHGRNFCY-UHFFFAOYSA-N 1 0 401.352 4.426 20 30 HIEDRO Cc1ccc([C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)N2CCOCC2)cc1 ZINC000573886488 948320682 /nfs/dbraw/zinc/32/06/82/948320682.db2.gz QCPXVFODHYXDSI-OAQYLSRUSA-N 1 0 403.448 4.049 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000574551954 948470099 /nfs/dbraw/zinc/47/00/99/948470099.db2.gz NUYBPQVOCXKOCI-UHFFFAOYSA-N 1 0 415.497 4.341 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(OCC3CCCCC3)CC2)c(-c2ccncc2)n1 ZINC000574985622 948569012 /nfs/dbraw/zinc/56/90/12/948569012.db2.gz LHKPCOJIVFSLNL-UHFFFAOYSA-N 1 0 407.562 4.420 20 30 HIEDRO COc1cc(-c2noc(-c3ccc(C(C)(C)C#N)cc3)n2)ccc1OCC[NH+](C)C ZINC000576025445 948812071 /nfs/dbraw/zinc/81/20/71/948812071.db2.gz GQJJQGIQHMDYTJ-UHFFFAOYSA-N 1 0 406.486 4.154 20 30 HIEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCC(C4C[NH2+]C4)CC3)cnc2Cl)cc1 ZINC001164615473 719038316 /nfs/dbraw/zinc/03/83/16/719038316.db2.gz NSQLNJRHJMNCKA-UHFFFAOYSA-N 1 0 402.876 4.254 20 30 HIEDRO N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H](CF)[C@H](C4([NH3+])CC4)C3)cnc2Cl)c1 ZINC001164625900 719126898 /nfs/dbraw/zinc/12/68/98/719126898.db2.gz ZGKWGNGEFRXNFI-MAUKXSAKSA-N 1 0 420.866 4.332 20 30 HIEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164722411 720483292 /nfs/dbraw/zinc/48/32/92/720483292.db2.gz AFQXPHILTMTKGB-WOJBJXKFSA-N 1 0 407.880 4.147 20 30 HIEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164731175 720488162 /nfs/dbraw/zinc/48/81/62/720488162.db2.gz WJTVZCVJIDBCAO-PMACEKPBSA-N 1 0 403.917 4.317 20 30 HIEDRO Cc1cnc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c(C#C[Si](C)(C)C)c1 ZINC001164858959 720987446 /nfs/dbraw/zinc/98/74/46/720987446.db2.gz JOMUPSXPSBPWRQ-LJQANCHMSA-N 1 0 409.654 4.237 20 30 HIEDRO Cc1c(Cl)c(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N ZINC001164900529 721520770 /nfs/dbraw/zinc/52/07/70/721520770.db2.gz RVZVPCAJPAXLPE-HOCLYGCPSA-N 1 0 421.303 4.050 20 30 HIEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccc5ccc(C#N)cc54)CC3)C2)cc1 ZINC001164939763 721925068 /nfs/dbraw/zinc/92/50/68/721925068.db2.gz MUEQENUJDWMRJE-UHFFFAOYSA-N 1 0 412.537 4.286 20 30 HIEDRO N#Cc1ccc(C2(C(=O)Nc3ccc(NC(=O)C[NH+]4CCCCCC4)cc3)CC2)cc1 ZINC000436074809 861355471 /nfs/dbraw/zinc/35/54/71/861355471.db2.gz IIPIQUYMAYSJQY-UHFFFAOYSA-N 1 0 416.525 4.043 20 30 HIEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000436147866 861446658 /nfs/dbraw/zinc/44/66/58/861446658.db2.gz DNTWFQZYJFYBOV-ISKFKSNPSA-N 1 0 417.557 4.051 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccc(N(C)C)cc2)c(C)n1C ZINC000010170560 845625753 /nfs/dbraw/zinc/62/57/53/845625753.db2.gz IKLCNAJKTXRMFF-UHFFFAOYSA-O 1 0 407.563 4.046 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1F ZINC000436310608 861614163 /nfs/dbraw/zinc/61/41/63/861614163.db2.gz RSBOQRSEJQIIST-HVETUWLQSA-N 1 0 421.509 4.029 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)Cc2ccc(F)cc2)c1C#N ZINC000012817846 845892510 /nfs/dbraw/zinc/89/25/10/845892510.db2.gz WPFDEEAIMBQQSW-UHFFFAOYSA-N 1 0 408.477 4.218 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN([C@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)cc1 ZINC000021406622 846438873 /nfs/dbraw/zinc/43/88/73/846438873.db2.gz GOCNAQMLQPYALU-SANMLTNESA-N 1 0 424.548 4.446 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(Br)cc1 ZINC000022198505 846544826 /nfs/dbraw/zinc/54/48/26/846544826.db2.gz ZGLATEJPBRGQQA-UHFFFAOYSA-N 1 0 418.360 4.332 20 30 HIEDRO CCNC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022686240 846602612 /nfs/dbraw/zinc/60/26/12/846602612.db2.gz BNSQPSCHGPSUOI-UHFFFAOYSA-O 1 0 420.514 4.021 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2ccc(C(C)C)cc2)C(=S)NC[C@H]2CCCO2)cc1 ZINC000022691868 846603918 /nfs/dbraw/zinc/60/39/18/846603918.db2.gz QZBPFQYIARMPSX-OAQYLSRUSA-O 1 0 411.591 4.367 20 30 HIEDRO CNC(=S)C(C(=O)c1ccccc1Br)[n+]1ccc(C(C)(C)C)cc1 ZINC000022734062 846611396 /nfs/dbraw/zinc/61/13/96/846611396.db2.gz TXWUZABEIWIMFZ-UHFFFAOYSA-O 1 0 406.369 4.192 20 30 HIEDRO Cc1ccc[n+](C(C(=O)c2cc(F)ccc2F)C(=S)NCCc2ccccc2)c1 ZINC000022735533 846612770 /nfs/dbraw/zinc/61/27/70/846612770.db2.gz YOFCEZKPDBUYBI-UHFFFAOYSA-O 1 0 411.497 4.332 20 30 HIEDRO CCCNC(=S)C(C(=O)c1ccc(Br)cc1)[n+]1ccc(CC)cc1 ZINC000022804816 846624123 /nfs/dbraw/zinc/62/41/23/846624123.db2.gz IDZKSJKIECHCBA-UHFFFAOYSA-O 1 0 406.369 4.237 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2cccc(C)c2C)[n+]2cccc(CO)c2)c(C)[nH]1 ZINC000023603634 846727528 /nfs/dbraw/zinc/72/75/28/846727528.db2.gz TUFHHUHYYZASKN-UHFFFAOYSA-O 1 0 408.547 4.079 20 30 HIEDRO C=CCc1cc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc(OC)c1OC ZINC000026950243 847225346 /nfs/dbraw/zinc/22/53/46/847225346.db2.gz IXEZMNABIZQXHR-UHFFFAOYSA-N 1 0 408.542 4.348 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000028350010 847410621 /nfs/dbraw/zinc/41/06/21/847410621.db2.gz GSMLEIJXUZKZJQ-ZIAGYGMSSA-N 1 0 410.905 4.238 20 30 HIEDRO CC(=O)c1c(C)[nH]c(C(=O)C(C(=S)Nc2cccc(C)c2)[n+]2ccccc2)c1C ZINC000028793412 847461824 /nfs/dbraw/zinc/46/18/24/847461824.db2.gz VVABKKUZBKYZGV-UHFFFAOYSA-O 1 0 406.531 4.481 20 30 HIEDRO C=CCOc1ccc(/C=C/C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)cc1OC ZINC000032504726 848040740 /nfs/dbraw/zinc/04/07/40/848040740.db2.gz LBDBDOYFNWRENW-ACCUITESSA-N 1 0 421.541 4.054 20 30 HIEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)Cc2ccc(C#N)cc2)CC1 ZINC000043454618 848426180 /nfs/dbraw/zinc/42/61/80/848426180.db2.gz CUMSVLRIFZONHK-UHFFFAOYSA-N 1 0 411.937 4.017 20 30 HIEDRO COc1cc(-c2noc(CCCCC[NH2+][C@@H](C)c3ccc(C#N)cc3)n2)ccc1O ZINC000436725500 861910775 /nfs/dbraw/zinc/91/07/75/861910775.db2.gz VFLZPZNDTRBADJ-INIZCTEOSA-N 1 0 406.486 4.386 20 30 HIEDRO COc1ccc([C@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000047794007 849113217 /nfs/dbraw/zinc/11/32/17/849113217.db2.gz XVARVIUCCJAPIC-JPYJTQIMSA-N 1 0 406.530 4.154 20 30 HIEDRO CC1(C)CC(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC(C)(C)[NH2+]1 ZINC000048125400 849172659 /nfs/dbraw/zinc/17/26/59/849172659.db2.gz RDFOMPDFKAHTJF-UHFFFAOYSA-N 1 0 419.529 4.241 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000048161946 849183773 /nfs/dbraw/zinc/18/37/73/849183773.db2.gz BSTQQSYRDYFRGE-UHFFFAOYSA-N 1 0 418.541 4.424 20 30 HIEDRO N#Cc1ccccc1OCc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)o1 ZINC000048276724 849202513 /nfs/dbraw/zinc/20/25/13/849202513.db2.gz GZLUEFQUFOEXED-UHFFFAOYSA-N 1 0 415.493 4.256 20 30 HIEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000049795835 849329822 /nfs/dbraw/zinc/32/98/22/849329822.db2.gz RMHASWFMDTVOHE-INIZCTEOSA-N 1 0 418.463 4.411 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050137721 849358025 /nfs/dbraw/zinc/35/80/25/849358025.db2.gz OEJMRIXKVZLLIT-HXUWFJFHSA-N 1 0 413.587 4.367 20 30 HIEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(OCc4cccnc4)cc3)CC2)cc1 ZINC000050959415 849423102 /nfs/dbraw/zinc/42/31/02/849423102.db2.gz SYZLAKUQMHPBKV-UHFFFAOYSA-N 1 0 412.537 4.240 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000054532916 849885103 /nfs/dbraw/zinc/88/51/03/849885103.db2.gz SALPIRAVWDNSGS-UHFFFAOYSA-N 1 0 402.420 4.317 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000055092634 849967953 /nfs/dbraw/zinc/96/79/53/849967953.db2.gz FMLSMQCXGNEAIM-QHCPKHFHSA-N 1 0 415.493 4.297 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)c1cccs1 ZINC000055110947 849972313 /nfs/dbraw/zinc/97/23/13/849972313.db2.gz SLKVEOHSDNTNKJ-NRFANRHFSA-N 1 0 405.523 4.231 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc2c(c1)OCO2 ZINC000055375748 850008935 /nfs/dbraw/zinc/00/89/35/850008935.db2.gz PASHXPLGAHCYLB-KGLIPLIRSA-N 1 0 411.527 4.295 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000056153335 850258708 /nfs/dbraw/zinc/25/87/08/850258708.db2.gz NQXOSUWNRBWRLN-MSOLQXFVSA-N 1 0 412.493 4.488 20 30 HIEDRO COc1cc(C)c([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000056153931 850259865 /nfs/dbraw/zinc/25/98/65/850259865.db2.gz IGTCAOBOQAHZPH-UONOGXRCSA-N 1 0 401.894 4.215 20 30 HIEDRO N#CC1(C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CCCCC1 ZINC000057387869 850625027 /nfs/dbraw/zinc/62/50/27/850625027.db2.gz XEPDBZHBAUUNCE-UHFFFAOYSA-N 1 0 416.569 4.099 20 30 HIEDRO Cc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000058451101 850828726 /nfs/dbraw/zinc/82/87/26/850828726.db2.gz PIPIUJXCWTXPGJ-UHFFFAOYSA-N 1 0 404.436 4.481 20 30 HIEDRO N#Cc1ccc(CSCC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)cc1 ZINC000060206038 851050516 /nfs/dbraw/zinc/05/05/16/851050516.db2.gz CDABCMBZPPDRRP-UHFFFAOYSA-N 1 0 407.583 4.484 20 30 HIEDRO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000060469648 851109435 /nfs/dbraw/zinc/10/94/35/851109435.db2.gz KAMHLXIXOFMKJU-WZONZLPQSA-N 1 0 421.541 4.322 20 30 HIEDRO N#Cc1c(NC(=O)CN2CC[NH+](CC3CCCCC3)CC2)sc2c1CCCCC2 ZINC000060569156 851151106 /nfs/dbraw/zinc/15/11/06/851151106.db2.gz CFGMOCJFCOELRB-UHFFFAOYSA-N 1 0 414.619 4.025 20 30 HIEDRO Cc1ccc(C(=O)NCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cc1F ZINC000060974864 851264228 /nfs/dbraw/zinc/26/42/28/851264228.db2.gz JRSQKRPAAMYQPI-UHFFFAOYSA-N 1 0 417.484 4.104 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000063403794 851680363 /nfs/dbraw/zinc/68/03/63/851680363.db2.gz NHJAWTWARPAXNR-UHFFFAOYSA-N 1 0 402.542 4.168 20 30 HIEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3CCC[N@@H+]3Cc3ccccc3)c2)c1 ZINC000063648493 851733993 /nfs/dbraw/zinc/73/39/93/851733993.db2.gz SKHOMLZWRKXRSK-XMMPIXPASA-N 1 0 424.504 4.414 20 30 HIEDRO Cc1[nH]c2ccc(CNC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc2c1C ZINC000065031623 852044437 /nfs/dbraw/zinc/04/44/37/852044437.db2.gz WOSNRRRFZNLMDW-UHFFFAOYSA-N 1 0 415.541 4.074 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCC(=O)c1ccc2ccccc2c1 ZINC000065785200 852255315 /nfs/dbraw/zinc/25/53/15/852255315.db2.gz OHQUCJPDHKMVSV-UHFFFAOYSA-N 1 0 413.521 4.265 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1C#N ZINC000065876810 852298428 /nfs/dbraw/zinc/29/84/28/852298428.db2.gz AUQXRXRSTAMITE-UHFFFAOYSA-N 1 0 406.555 4.443 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(-c2ccccc2)[nH]1 ZINC000065930276 852321153 /nfs/dbraw/zinc/32/11/53/852321153.db2.gz DORQJCQFKMBMEF-UHFFFAOYSA-N 1 0 400.526 4.076 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CSc1ccc2ccccc2c1 ZINC000065931189 852321648 /nfs/dbraw/zinc/32/16/48/852321648.db2.gz BUEQNUSYPDQAQK-UHFFFAOYSA-N 1 0 403.551 4.394 20 30 HIEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000065950062 852331121 /nfs/dbraw/zinc/33/11/21/852331121.db2.gz AYZDYMVPCSGNBY-NRFANRHFSA-N 1 0 405.889 4.077 20 30 HIEDRO CCN(Cc1ccccc1)C(=O)C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000065977399 852337157 /nfs/dbraw/zinc/33/71/57/852337157.db2.gz HSUKIEABQSCELQ-UHFFFAOYSA-N 1 0 413.521 4.276 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCNC(=O)c3ccc(Cl)cc3)c2)c1 ZINC000065978964 852338326 /nfs/dbraw/zinc/33/83/26/852338326.db2.gz JWAQOFQPDZMZPZ-UHFFFAOYSA-N 1 0 419.912 4.310 20 30 HIEDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)CCO1 ZINC000072013594 852465399 /nfs/dbraw/zinc/46/53/99/852465399.db2.gz ROEDPHQEQHURMQ-GOSISDBHSA-N 1 0 421.566 4.035 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)CSc1nc(C)c(C)c(C)c1C#N)c1ccsc1 ZINC000072018694 852469168 /nfs/dbraw/zinc/46/91/68/852469168.db2.gz YQYRPVUCLQZVHB-LJQANCHMSA-N 1 0 416.616 4.231 20 30 HIEDRO C#Cc1cccc(NC(=S)C(C(=O)c2ccccc2)[n+]2ccc(N(C)C)cc2)c1 ZINC000102387525 852664416 /nfs/dbraw/zinc/66/44/16/852664416.db2.gz XLNOQBSMMOHFGZ-UHFFFAOYSA-O 1 0 400.527 4.072 20 30 HIEDRO CC[N@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000111045744 853193735 /nfs/dbraw/zinc/19/37/35/853193735.db2.gz NPZOYMYISYZCDP-HTAPYJJXSA-N 1 0 404.539 4.303 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000116729805 853330425 /nfs/dbraw/zinc/33/04/25/853330425.db2.gz ULUBVVCVCPOYAL-JOCHJYFZSA-N 1 0 422.573 4.049 20 30 HIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000139727381 853420294 /nfs/dbraw/zinc/42/02/94/853420294.db2.gz OFNBWXVTXSAFAI-UHFFFAOYSA-N 1 0 404.474 4.061 20 30 HIEDRO COc1ccc2[nH]cc(C3CC[NH+]([C@@H](C)C(=O)NC4(C#N)CCCCC4)CC3)c2c1 ZINC000142130932 853488520 /nfs/dbraw/zinc/48/85/20/853488520.db2.gz VXSWNRZBTIZPRG-KRWDZBQOSA-N 1 0 408.546 4.087 20 30 HIEDRO COc1ccc(C[NH2+]Cc2ccc(N3CCCCC3=O)cc2)cc1OCCCC#N ZINC000147184654 853583824 /nfs/dbraw/zinc/58/38/24/853583824.db2.gz STHWQQQQPRQHRN-UHFFFAOYSA-N 1 0 407.514 4.184 20 30 HIEDRO COc1ccc(C[NH2+]C2CCN(c3ccccc3OC)CC2)cc1OCCCC#N ZINC000147279027 853585768 /nfs/dbraw/zinc/58/57/68/853585768.db2.gz YKRSQORBAVNFLZ-UHFFFAOYSA-N 1 0 409.530 4.145 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cccc(C[NH+](C)C)c2)cc1C ZINC000150240115 853641648 /nfs/dbraw/zinc/64/16/48/853641648.db2.gz SUCZUWSKYFWDHK-UHFFFAOYSA-N 1 0 401.514 4.395 20 30 HIEDRO CCc1c(C(=O)C(C(=S)N[C@H](C)CC)[n+]2ccc(C)cc2)[nH]c(C)c1C(C)=O ZINC000154470393 853643789 /nfs/dbraw/zinc/64/37/89/853643789.db2.gz YDEWIFUDZYMADP-CQSZACIVSA-O 1 0 400.568 4.011 20 30 HIEDRO C=CCOc1ccc(/C=C\C(=O)Nc2ccccc2N2CC[NH+](CC)CC2)cc1OC ZINC000206364222 853798313 /nfs/dbraw/zinc/79/83/13/853798313.db2.gz LBDBDOYFNWRENW-QBFSEMIESA-N 1 0 421.541 4.054 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1Br ZINC000216018361 853842484 /nfs/dbraw/zinc/84/24/84/853842484.db2.gz CXWQTBCCUJYCTB-LLVKDONJSA-N 1 0 422.710 4.272 20 30 HIEDRO CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000236687840 853911138 /nfs/dbraw/zinc/91/11/38/853911138.db2.gz XXTIZTCBXOGVLL-XZOQPEGZSA-N 1 0 405.542 4.310 20 30 HIEDRO C=C(C)CN1CCC([NH2+]Cc2c(C)nn(-c3ccc(Br)cc3)c2C)CC1 ZINC000236690849 853912451 /nfs/dbraw/zinc/91/24/51/853912451.db2.gz DZWCBVJNAOLESO-UHFFFAOYSA-N 1 0 417.395 4.382 20 30 HIEDRO CCCCOc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cn3)CC2)cc1OCC ZINC000236730904 853916538 /nfs/dbraw/zinc/91/65/38/853916538.db2.gz JTLKKVPGSYLMTR-UHFFFAOYSA-N 1 0 408.546 4.289 20 30 HIEDRO CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000236749539 853919732 /nfs/dbraw/zinc/91/97/32/853919732.db2.gz WDDWZHWYSYTUOW-IBGZPJMESA-N 1 0 423.561 4.200 20 30 HIEDRO CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000236761355 853920703 /nfs/dbraw/zinc/92/07/03/853920703.db2.gz WDDWZHWYSYTUOW-LJQANCHMSA-N 1 0 423.561 4.200 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]C2CCN(CC(=C)C)CC2)cc1OC ZINC000237112868 853966475 /nfs/dbraw/zinc/96/64/75/853966475.db2.gz CEAUCNPCIBAGKR-UHFFFAOYSA-N 1 0 409.368 4.153 20 30 HIEDRO C=C[C@H](C)[NH2+]Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)c(OC)c1 ZINC000237155150 853973654 /nfs/dbraw/zinc/97/36/54/853973654.db2.gz VIFIVIMQKQDZRB-AWEZNQCLSA-N 1 0 408.420 4.396 20 30 HIEDRO C[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000237454226 854035700 /nfs/dbraw/zinc/03/57/00/854035700.db2.gz QTVCHYITJRPEKE-QGZVFWFLSA-N 1 0 413.477 4.319 20 30 HIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC000237606029 854060853 /nfs/dbraw/zinc/06/08/53/854060853.db2.gz LDDCCUFXQHUHQZ-QZTJIDSGSA-N 1 0 400.482 4.476 20 30 HIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000237608935 854061864 /nfs/dbraw/zinc/06/18/64/854061864.db2.gz OHHRHGSWQZLRPH-UZLBHIALSA-N 1 0 403.448 4.360 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccccc3OCc3cccnc3)C2)c(F)c1 ZINC000237714820 854081925 /nfs/dbraw/zinc/08/19/25/854081925.db2.gz TXBMVEQVGXLFRZ-QFIPXVFZSA-N 1 0 416.500 4.430 20 30 HIEDRO N#Cc1ccc2ncc(C[NH2+]Cc3cn(-c4ccccc4)nc3-c3ccc(F)cc3)n2c1 ZINC000237792470 854098031 /nfs/dbraw/zinc/09/80/31/854098031.db2.gz LWIJMYJNWWAZFT-UHFFFAOYSA-N 1 0 422.467 4.488 20 30 HIEDRO N#CCCn1cc(C[NH2+]C2CCN(Cc3ccc(F)cc3)CC2)c(-c2ccccc2)n1 ZINC000237838957 854106481 /nfs/dbraw/zinc/10/64/81/854106481.db2.gz WAPNSTQXRXQVPQ-UHFFFAOYSA-N 1 0 417.532 4.357 20 30 HIEDRO Cc1ccc([C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)N2CCCC2)o1 ZINC000237972313 854127729 /nfs/dbraw/zinc/12/77/29/854127729.db2.gz QQUQWQKOIPZUCI-JOCHJYFZSA-N 1 0 403.530 4.292 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNc2nccc(C#N)c2[N+](=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000301693240 854446306 /nfs/dbraw/zinc/44/63/06/854446306.db2.gz ZNQSMSZOMDKFSL-WBVHZDCISA-N 1 0 419.407 4.375 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNc2nccc(C#N)c2[N+](=O)[O-])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000301693239 854446424 /nfs/dbraw/zinc/44/64/24/854446424.db2.gz ZNQSMSZOMDKFSL-RDJZCZTQSA-N 1 0 419.407 4.375 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000301907241 854489596 /nfs/dbraw/zinc/48/95/96/854489596.db2.gz QZTFFLXZRAPYSQ-KRWDZBQOSA-N 1 0 401.470 4.115 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1F ZINC000302748295 854620069 /nfs/dbraw/zinc/62/00/69/854620069.db2.gz CKOAPGFOJSRZEA-OAHLLOKOSA-N 1 0 424.476 4.055 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000303028297 854729764 /nfs/dbraw/zinc/72/97/64/854729764.db2.gz PASQWRSTCNFFKR-UHFFFAOYSA-N 1 0 408.889 4.071 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(C(=O)Nc3ccccc3)c2C)CC1 ZINC000303283496 854851127 /nfs/dbraw/zinc/85/11/27/854851127.db2.gz FWUIDBRPMUKKCM-UHFFFAOYSA-N 1 0 406.530 4.409 20 30 HIEDRO FC(F)C(F)(F)CN1CC[NH+](CCCCOc2ccccc2C(F)(F)F)CC1 ZINC000303518713 855006433 /nfs/dbraw/zinc/00/64/33/855006433.db2.gz CPAHVHVAHLVWIM-UHFFFAOYSA-N 1 0 416.381 4.382 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)c1cccc(F)c1 ZINC000303544020 855029558 /nfs/dbraw/zinc/02/95/58/855029558.db2.gz IKVFXZSCZNBYGN-HSZRJFAPSA-N 1 0 417.484 4.309 20 30 HIEDRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000303589065 855061781 /nfs/dbraw/zinc/06/17/81/855061781.db2.gz UMIKJNIZYYXDHI-FQEVSTJZSA-N 1 0 421.589 4.481 20 30 HIEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303619480 855081679 /nfs/dbraw/zinc/08/16/79/855081679.db2.gz PJIPKCUQGOTKEZ-KURKYZTESA-N 1 0 402.970 4.125 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1C ZINC000303667004 855118867 /nfs/dbraw/zinc/11/88/67/855118867.db2.gz WMSOWCSQNUMVKJ-JTHBVZDNSA-N 1 0 410.606 4.137 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCc2ccc(Br)s2)c1 ZINC000303789923 855199530 /nfs/dbraw/zinc/19/95/30/855199530.db2.gz VWAYWQJLSWPGHV-UHFFFAOYSA-N 1 0 412.353 4.277 20 30 HIEDRO [NH2+]=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303863275 855257971 /nfs/dbraw/zinc/25/79/71/855257971.db2.gz AEFKSFUYMGWSSU-LBPRGKRZSA-N 1 0 414.378 4.117 20 30 HIEDRO CCc1cccc(NC(=[NH2+])NC[C@@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000303872499 855263480 /nfs/dbraw/zinc/26/34/80/855263480.db2.gz GJSAMBNTOWEASQ-INIZCTEOSA-N 1 0 401.352 4.265 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCC2(c3cccc(Cl)c3)CCOCC2)cc1Cl ZINC000303879711 855266225 /nfs/dbraw/zinc/26/62/25/855266225.db2.gz JUKIBGHESHUBNY-UHFFFAOYSA-N 1 0 408.329 4.477 20 30 HIEDRO CCc1ccc(NC(=[NH2+])NCc2ccc(Oc3c(OC)cccc3OC)nc2)cc1 ZINC000303885004 855269375 /nfs/dbraw/zinc/26/93/75/855269375.db2.gz JMCHFQMOQGBJSQ-UHFFFAOYSA-N 1 0 406.486 4.380 20 30 HIEDRO CCCC[NH+]=C(NCc1ccc(C)cc1)NCc1ccc(CN2CCCC2=O)cc1 ZINC000303892590 855273873 /nfs/dbraw/zinc/27/38/73/855273873.db2.gz NPXIABKUUPAJCI-UHFFFAOYSA-N 1 0 406.574 4.153 20 30 HIEDRO C[C@H](NC(=[NH2+])NCc1ccc(CN2CCCC2=O)cc1)c1ccc(Cl)cc1Cl ZINC000303900320 855277638 /nfs/dbraw/zinc/27/76/38/855277638.db2.gz SEPXOLFFPPDGIM-AWEZNQCLSA-N 1 0 419.356 4.281 20 30 HIEDRO CCc1ccc(NC(=[NH2+])NCC2(c3ccc(Br)cc3)CCOCC2)cc1 ZINC000303975167 855332469 /nfs/dbraw/zinc/33/24/69/855332469.db2.gz IRIIDILRNWOENT-UHFFFAOYSA-N 1 0 416.363 4.487 20 30 HIEDRO [NH2+]=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)N[C@H]1CCOc2ccccc21 ZINC000304480645 855356712 /nfs/dbraw/zinc/35/67/12/855356712.db2.gz JKXAMEOUPGJSLH-RBUKOAKNSA-N 1 0 416.928 4.044 20 30 HIEDRO [NH2+]=C(NCc1cccc(COC2CCOCC2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000304738513 855357286 /nfs/dbraw/zinc/35/72/86/855357286.db2.gz AUANZQWRABTPHY-UHFFFAOYSA-N 1 0 423.435 4.208 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCc2ccc(C)cc2OC[C@H]2CCCO2)cc1Cl ZINC000304986700 855358660 /nfs/dbraw/zinc/35/86/60/855358660.db2.gz IKXVLIHVDXCLJW-QGZVFWFLSA-N 1 0 403.910 4.142 20 30 HIEDRO [NH2+]=C(NCC1(c2ccc(F)cc2)CCOCC1)Nc1ccccc1OC(F)(F)F ZINC000305200769 855360168 /nfs/dbraw/zinc/36/01/68/855360168.db2.gz FKBFPBKTXFPBCM-UHFFFAOYSA-N 1 0 411.399 4.199 20 30 HIEDRO Cc1nn(-c2ccccc2)c(C)c1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000305206579 855360385 /nfs/dbraw/zinc/36/03/85/855360385.db2.gz GJUXPZPYNMCUAJ-UHFFFAOYSA-N 1 0 403.408 4.315 20 30 HIEDRO COc1ccc(OC)c(NC(=[NH2+])NCCc2cccc(OCc3ccccc3)c2)c1 ZINC000305713604 855361100 /nfs/dbraw/zinc/36/11/00/855361100.db2.gz LFJOSDNWOXXYEN-UHFFFAOYSA-N 1 0 405.498 4.252 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCc2ccc(Br)cc2C(F)(F)F)cc1 ZINC000305699050 855361254 /nfs/dbraw/zinc/36/12/54/855361254.db2.gz CNWOCAFLLYGDLO-UHFFFAOYSA-N 1 0 402.214 4.403 20 30 HIEDRO Cc1ccc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)c(N2CCCC2)n1 ZINC000305821850 855362151 /nfs/dbraw/zinc/36/21/51/855362151.db2.gz PEFOODOJARGOOI-AWEZNQCLSA-N 1 0 406.361 4.463 20 30 HIEDRO N#Cc1nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1C(F)(F)F ZINC000409728699 855623690 /nfs/dbraw/zinc/62/36/90/855623690.db2.gz QCGNGRGFTOCVEF-FXAWDEMLSA-N 1 0 400.448 4.463 20 30 HIEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccc(C#N)c(Cl)c3)cc2)C[C@H](C)O1 ZINC000410370462 855957291 /nfs/dbraw/zinc/95/72/91/855957291.db2.gz CYDGAKAUTHBSMQ-HOTGVXAUSA-N 1 0 412.921 4.143 20 30 HIEDRO C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000410379416 855962694 /nfs/dbraw/zinc/96/26/94/855962694.db2.gz GFWQKAWZBCPXLN-GOSISDBHSA-N 1 0 420.395 4.228 20 30 HIEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000426356264 856256828 /nfs/dbraw/zinc/25/68/28/856256828.db2.gz IKHZYFHXPGBZQB-SFHVURJKSA-N 1 0 402.464 4.254 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1-c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000426448167 856295518 /nfs/dbraw/zinc/29/55/18/856295518.db2.gz ATOXDNNOWTWFEQ-UHFFFAOYSA-N 1 0 405.483 4.134 20 30 HIEDRO C[C@@H]1CO[C@H](c2cccc(C(F)(F)F)c2)CN1CCC(=O)Nc1cccc(C#N)c1 ZINC000428813372 857356946 /nfs/dbraw/zinc/35/69/46/857356946.db2.gz PLHJSJITKHWXSW-QRWLVFNGSA-N 1 0 417.431 4.368 20 30 HIEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000429062971 857486943 /nfs/dbraw/zinc/48/69/43/857486943.db2.gz GTWDWZFQBPWLIH-FQEVSTJZSA-N 1 0 424.520 4.472 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1OCCc2sccc21 ZINC000429147523 857531300 /nfs/dbraw/zinc/53/13/00/857531300.db2.gz AGNBAPAMBWUUFT-RNODOKPDSA-N 1 0 415.584 4.181 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1OCCc2sccc21 ZINC000429166843 857538346 /nfs/dbraw/zinc/53/83/46/857538346.db2.gz JZWOPTFBEHDHPM-XCLFUZPHSA-N 1 0 415.584 4.181 20 30 HIEDRO Cc1oc(NC(=O)C[NH2+]C(C)(C)Cc2ccc(Br)c(C)c2)c(C#N)c1C ZINC000429226601 857564301 /nfs/dbraw/zinc/56/43/01/857564301.db2.gz LIMJLDYZAFXIIG-UHFFFAOYSA-N 1 0 418.335 4.388 20 30 HIEDRO CCCn1ccnc1CCC[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 ZINC000429235747 857568333 /nfs/dbraw/zinc/56/83/33/857568333.db2.gz RNDVEGZBKJIQHJ-UHFFFAOYSA-N 1 0 424.593 4.201 20 30 HIEDRO Cc1cc(CC(C)(C)[NH2+]CC(=O)Nc2sccc2C#N)ccc1Br ZINC000429269601 857584249 /nfs/dbraw/zinc/58/42/49/857584249.db2.gz GJADYWKMXCDOFW-UHFFFAOYSA-N 1 0 406.349 4.240 20 30 HIEDRO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH2+]CC(=O)Nc1sccc1C#N ZINC000429289831 857592779 /nfs/dbraw/zinc/59/27/79/857592779.db2.gz DWZYKNDAMCIHFM-MRXNPFEDSA-N 1 0 404.333 4.234 20 30 HIEDRO N#CC1(CCC[NH2+][C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CCOCC1 ZINC000429378763 857632607 /nfs/dbraw/zinc/63/26/07/857632607.db2.gz QRVWIPACFNCMAE-XUZZJYLKSA-N 1 0 424.516 4.267 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3ccncc3)CC1)CCCCC2 ZINC000429533452 857725853 /nfs/dbraw/zinc/72/58/53/857725853.db2.gz WSFOHOXOYPKWDK-UHFFFAOYSA-N 1 0 408.571 4.492 20 30 HIEDRO Cc1cccnc1OC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000429704812 857842911 /nfs/dbraw/zinc/84/29/11/857842911.db2.gz XIJNQWHOBQRUNR-UHFFFAOYSA-N 1 0 424.570 4.074 20 30 HIEDRO N#CCCn1ncc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1-c1ccccc1 ZINC000429726109 857852542 /nfs/dbraw/zinc/85/25/42/857852542.db2.gz QHIAUXKFLCQDMU-HXUWFJFHSA-N 1 0 419.554 4.092 20 30 HIEDRO CCCn1ccnc1CCCN(C)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000429734663 857857135 /nfs/dbraw/zinc/85/71/35/857857135.db2.gz BSMZJFNGVPZTLJ-UHFFFAOYSA-N 1 0 401.514 4.184 20 30 HIEDRO COc1cc(C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)c(-c2ccccc2)cc1OC ZINC000430177528 858067614 /nfs/dbraw/zinc/06/76/14/858067614.db2.gz MQHSDXXAZABXPH-NRFANRHFSA-N 1 0 415.493 4.291 20 30 HIEDRO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cccc(OCc4ccccc4C#N)c3)C2)nc1 ZINC000430185466 858072410 /nfs/dbraw/zinc/07/24/10/858072410.db2.gz HOBIUTZUBZUXDP-XMMPIXPASA-N 1 0 410.477 4.057 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000430562428 858218864 /nfs/dbraw/zinc/21/88/64/858218864.db2.gz DMOQNYNPWLJILK-SFHVURJKSA-N 1 0 410.331 4.085 20 30 HIEDRO C=CCC[C@H]([NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000430708898 858274783 /nfs/dbraw/zinc/27/47/83/858274783.db2.gz VIMAZVVHNZYAES-KDOFPFPSSA-N 1 0 423.376 4.455 20 30 HIEDRO N#Cc1ccc(C(F)(F)F)nc1N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431514248 858651217 /nfs/dbraw/zinc/65/12/17/858651217.db2.gz YIUPTCREKDQOQY-UHFFFAOYSA-N 1 0 400.448 4.465 20 30 HIEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)Nc3cccc(C#N)c3C)CC2)c1C ZINC000431699481 858748277 /nfs/dbraw/zinc/74/82/77/858748277.db2.gz WFHGBRRXSJPIRX-UHFFFAOYSA-N 1 0 421.545 4.015 20 30 HIEDRO N#CCCC[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000433031173 859489756 /nfs/dbraw/zinc/48/97/56/859489756.db2.gz YGKGASDLZYZBNF-QUCCMNQESA-N 1 0 421.310 4.353 20 30 HIEDRO C=CCc1cc(C[NH+]2CCC(c3nc(C(=O)OCC)cs3)CC2)cc(OC)c1O ZINC000433040983 859495647 /nfs/dbraw/zinc/49/56/47/859495647.db2.gz BLOLPJJLWZJEJO-UHFFFAOYSA-N 1 0 416.543 4.142 20 30 HIEDRO Cc1cnc(C2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)s1 ZINC000433149228 859541726 /nfs/dbraw/zinc/54/17/26/859541726.db2.gz IJKUOYGAICFSAC-UHFFFAOYSA-N 1 0 414.600 4.472 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000433305559 859627978 /nfs/dbraw/zinc/62/79/78/859627978.db2.gz NZJTZKPEHXGAFZ-DEOSSOPVSA-N 1 0 405.542 4.044 20 30 HIEDRO C[C@H](C(=O)Nc1ccccc1C#N)[N@@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433306099 859629593 /nfs/dbraw/zinc/62/95/93/859629593.db2.gz ROZIEWZSKJHNMQ-WBVHZDCISA-N 1 0 412.331 4.212 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccc(Oc3ccccc3)nc2)c(-c2ccncc2)n1 ZINC000433319006 859637165 /nfs/dbraw/zinc/63/71/65/859637165.db2.gz QAIIAZRFJACZOK-UHFFFAOYSA-N 1 0 410.481 4.336 20 30 HIEDRO CN1CCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)[C@@H]1c1cccs1 ZINC000433320200 859637894 /nfs/dbraw/zinc/63/78/94/859637894.db2.gz TXYJNJGLLKNYMG-WMZHIEFXSA-N 1 0 420.586 4.093 20 30 HIEDRO COc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c(C(F)(F)F)c1 ZINC000433328675 859645355 /nfs/dbraw/zinc/64/53/55/859645355.db2.gz WSASCGYBKGIVQS-UHFFFAOYSA-N 1 0 415.419 4.176 20 30 HIEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000433339737 859654255 /nfs/dbraw/zinc/65/42/55/859654255.db2.gz BOUPMDODROMKGC-URXFXBBRSA-N 1 0 401.514 4.116 20 30 HIEDRO C[C@@H]1C[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000467690246 881483370 /nfs/dbraw/zinc/48/33/70/881483370.db2.gz COCQLABXQKSCOL-GCJKJVERSA-N 1 0 412.493 4.138 20 30 HIEDRO CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cc1OC ZINC000434860438 860525971 /nfs/dbraw/zinc/52/59/71/860525971.db2.gz ZVUGDHHODLSDOC-MAUKXSAKSA-N 1 0 413.543 4.263 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1cccc(OCc2ccccn2)c1 ZINC000434879221 860531869 /nfs/dbraw/zinc/53/18/69/860531869.db2.gz HWESIXYMUROZFP-IIBYNOLFSA-N 1 0 418.522 4.050 20 30 HIEDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434981551 860585002 /nfs/dbraw/zinc/58/50/02/860585002.db2.gz GPTCZEGBZROMAC-QHCPKHFHSA-N 1 0 401.514 4.377 20 30 HIEDRO N#Cc1cccc(C2(C(=O)Nc3ccc(NC(=O)CC[NH+]4CCCCC4)cc3)CC2)c1 ZINC000435078798 860631831 /nfs/dbraw/zinc/63/18/31/860631831.db2.gz VBVJSVNOJXUOEN-UHFFFAOYSA-N 1 0 416.525 4.043 20 30 HIEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc(OC(F)(F)F)cc1 ZINC000435131678 860656037 /nfs/dbraw/zinc/65/60/37/860656037.db2.gz DVKBMDFQJIAHIT-UHFFFAOYSA-N 1 0 415.419 4.389 20 30 HIEDRO N#CCCn1cc(CNc2ccccc2C[NH+]2CCSCC2)c(-c2ccncc2)n1 ZINC000435133304 860656505 /nfs/dbraw/zinc/65/65/05/860656505.db2.gz AUKNORFNZSQTCS-UHFFFAOYSA-N 1 0 418.570 4.020 20 30 HIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000435739437 861020294 /nfs/dbraw/zinc/02/02/94/861020294.db2.gz GFUHNJDXVBOWNE-OXQOHEQNSA-N 1 0 404.352 4.322 20 30 HIEDRO C=CCC[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000435766357 861043419 /nfs/dbraw/zinc/04/34/19/861043419.db2.gz WYIDIEHAZKIIJC-XMMPIXPASA-N 1 0 407.558 4.150 20 30 HIEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 ZINC000437977228 863345167 /nfs/dbraw/zinc/34/51/67/863345167.db2.gz RJNKZHCZGOLMMZ-OAQYLSRUSA-N 1 0 406.530 4.394 20 30 HIEDRO C[C@H]1C[C@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC[N@@H+]1C ZINC000437981694 863346756 /nfs/dbraw/zinc/34/67/56/863346756.db2.gz BBZLLRGINUJWNZ-OXJNMPFZSA-N 1 0 410.493 4.223 20 30 HIEDRO COc1cc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc(Cl)c1OC ZINC000438479520 863896210 /nfs/dbraw/zinc/89/62/10/863896210.db2.gz PMOFUZREURGDOK-UHFFFAOYSA-N 1 0 401.894 4.104 20 30 HIEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000438644311 864083081 /nfs/dbraw/zinc/08/30/81/864083081.db2.gz HXWZGVNTSDQKBV-UHFFFAOYSA-N 1 0 404.539 4.139 20 30 HIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000438716028 864199185 /nfs/dbraw/zinc/19/91/85/864199185.db2.gz HAWGGOISSHELAE-HNNXBMFYSA-N 1 0 415.419 4.008 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc([C@@H](C)Sc3ccccc3)cc2)CC1 ZINC000438814222 864305383 /nfs/dbraw/zinc/30/53/83/864305383.db2.gz WFGRPYDCWGOMKI-GOSISDBHSA-N 1 0 423.582 4.245 20 30 HIEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000439202465 864626386 /nfs/dbraw/zinc/62/63/86/864626386.db2.gz VKAJXZOKXCDBTF-HXUWFJFHSA-N 1 0 419.573 4.346 20 30 HIEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439316253 864751777 /nfs/dbraw/zinc/75/17/77/864751777.db2.gz CXJCFFVUVBBEFX-MGPUTAFESA-N 1 0 406.368 4.071 20 30 HIEDRO CCCc1c(NC(=O)NCCC[NH+]2CCCCCC2)cnn1-c1cccc(C#N)c1 ZINC000439665861 864996193 /nfs/dbraw/zinc/99/61/93/864996193.db2.gz TWEZHQBUTVGEJF-UHFFFAOYSA-N 1 0 408.550 4.084 20 30 HIEDRO CCCc1c(NC(=O)N2CCC(CCC[NH+](C)C)CC2)cnn1-c1cccc(C#N)c1 ZINC000439682008 865017315 /nfs/dbraw/zinc/01/73/15/865017315.db2.gz CULMDXATGLAZOD-UHFFFAOYSA-N 1 0 422.577 4.282 20 30 HIEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000440230571 865466103 /nfs/dbraw/zinc/46/61/03/865466103.db2.gz HOULDXQQKKZLTG-VIZSFHNOSA-N 1 0 404.558 4.487 20 30 HIEDRO C=CCc1ccccc1OC[C@@H](O)CN(C)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000440551473 865816005 /nfs/dbraw/zinc/81/60/05/865816005.db2.gz CCDFRKYKGNLXNT-URXFXBBRSA-N 1 0 423.944 4.320 20 30 HIEDRO N#Cc1cnc2c(Br)cccc2c1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000440638877 865853398 /nfs/dbraw/zinc/85/33/98/865853398.db2.gz RBBWKDMGCZPSLZ-AUUYWEPGSA-N 1 0 411.347 4.322 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)cc1 ZINC000468107325 881923210 /nfs/dbraw/zinc/92/32/10/881923210.db2.gz YPXTWUDLDKKHDG-UHFFFAOYSA-N 1 0 412.493 4.314 20 30 HIEDRO N#CC1CCC(CNC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC1 ZINC000440983017 866065546 /nfs/dbraw/zinc/06/55/46/866065546.db2.gz BCSVGHHPYDGTTH-RJYAGPCLSA-N 1 0 406.933 4.073 20 30 HIEDRO CCCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000441487665 866568755 /nfs/dbraw/zinc/56/87/55/866568755.db2.gz FWGSOLQBYIZEEM-QHCPKHFHSA-N 1 0 415.541 4.485 20 30 HIEDRO C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000442197732 867220414 /nfs/dbraw/zinc/22/04/14/867220414.db2.gz XNFOVLNJOWNUGJ-ZIAGYGMSSA-N 1 0 410.440 4.231 20 30 HIEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)C2)CC1 ZINC000442200494 867223420 /nfs/dbraw/zinc/22/34/20/867223420.db2.gz QVOCYTGFDZAXKJ-INIZCTEOSA-N 1 0 424.467 4.433 20 30 HIEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443010369 867790977 /nfs/dbraw/zinc/79/09/77/867790977.db2.gz DKVBFVYWGKIHCG-AEFFLSMTSA-N 1 0 417.962 4.058 20 30 HIEDRO N#Cc1cccc(-c2cc(C(=O)NCc3ccc(C[NH+]4CCCCC4)cc3)on2)c1 ZINC000468246886 882149371 /nfs/dbraw/zinc/14/93/71/882149371.db2.gz LHJAHQOGSAFWTF-UHFFFAOYSA-N 1 0 400.482 4.129 20 30 HIEDRO N#CCCn1cc(C(=O)CN2CCC(CCC[NH+]3CCCC3)CC2)c2ccccc21 ZINC000443603852 868162151 /nfs/dbraw/zinc/16/21/51/868162151.db2.gz MVWCFRBHMICSOI-UHFFFAOYSA-N 1 0 406.574 4.326 20 30 HIEDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000443913738 868448190 /nfs/dbraw/zinc/44/81/90/868448190.db2.gz BRWVWAVTDVENOL-UHFFFAOYSA-N 1 0 412.509 4.328 20 30 HIEDRO Cc1cc(C[NH2+]C[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)ccc1C#N ZINC000443992240 868514906 /nfs/dbraw/zinc/51/49/06/868514906.db2.gz YJEGPWIAHAONHP-OAQYLSRUSA-N 1 0 403.448 4.049 20 30 HIEDRO N#Cc1cc(C[NH+]2CCC(C(=O)Nc3ccc(Br)cc3)CC2)ccc1F ZINC000468278597 882199917 /nfs/dbraw/zinc/19/99/17/882199917.db2.gz UFEJTRWYGNANDX-UHFFFAOYSA-N 1 0 416.294 4.311 20 30 HIEDRO COc1ccc(CC[C@@H]2CCCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)cc1OC ZINC000444127982 868632529 /nfs/dbraw/zinc/63/25/29/868632529.db2.gz POLCSGOEZOUJEC-QFIPXVFZSA-N 1 0 421.541 4.391 20 30 HIEDRO COc1ccc(CC[C@H]2CCCC[N@@H+]2CCC(=O)Nc2cccc(C#N)c2)cc1OC ZINC000444127972 868632623 /nfs/dbraw/zinc/63/26/23/868632623.db2.gz POLCSGOEZOUJEC-JOCHJYFZSA-N 1 0 421.541 4.391 20 30 HIEDRO N#Cc1cccc(NC(=O)CC[N@@H+](CCCO)C(c2ccccc2)c2ccccc2)c1 ZINC000444158270 868642630 /nfs/dbraw/zinc/64/26/30/868642630.db2.gz SXKRQERDQQEJEU-UHFFFAOYSA-N 1 0 413.521 4.361 20 30 HIEDRO CC1CCC([N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@H]2CCCO2)CC1 ZINC000444210156 868668593 /nfs/dbraw/zinc/66/85/93/868668593.db2.gz DWDMFVSXPZCEMO-CTWPCTMYSA-N 1 0 401.576 4.300 20 30 HIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000444386585 868803104 /nfs/dbraw/zinc/80/31/04/868803104.db2.gz ZPGJFHYFUQWHSO-UHFFFAOYSA-N 1 0 405.502 4.358 20 30 HIEDRO Cc1cccn2c1nc(-c1ccccc1)c2NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000444392831 868806131 /nfs/dbraw/zinc/80/61/31/868806131.db2.gz QPUVXZALMBYUBE-UHFFFAOYSA-N 1 0 404.518 4.009 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H]2CCC[C@H]2c2ccccc2)c1C#N ZINC000445995361 869958420 /nfs/dbraw/zinc/95/84/20/869958420.db2.gz LAOYLIMSZABZHZ-GMAHTHKFSA-N 1 0 416.525 4.482 20 30 HIEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000445996520 869959822 /nfs/dbraw/zinc/95/98/22/869959822.db2.gz QSOGMIGHDAVDDR-PMACEKPBSA-N 1 0 401.432 4.119 20 30 HIEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000445996523 869959983 /nfs/dbraw/zinc/95/99/83/869959983.db2.gz QSOGMIGHDAVDDR-WOJBJXKFSA-N 1 0 401.432 4.119 20 30 HIEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000448451759 872398209 /nfs/dbraw/zinc/39/82/09/872398209.db2.gz ZOEMJCKGUMBNJS-OFVILXPXSA-N 1 0 415.537 4.226 20 30 HIEDRO C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC#Cc1ccc(OC(F)(F)F)cc1 ZINC000448529412 872526310 /nfs/dbraw/zinc/52/63/10/872526310.db2.gz NXMHQPLLRKJDBX-MRXNPFEDSA-N 1 0 400.404 4.210 20 30 HIEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000460215627 872801437 /nfs/dbraw/zinc/80/14/37/872801437.db2.gz RBNBJHBUMLYECL-UHFFFAOYSA-N 1 0 420.948 4.202 20 30 HIEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460775441 873626609 /nfs/dbraw/zinc/62/66/09/873626609.db2.gz GDCWNOXJTBSBSW-OAQYLSRUSA-N 1 0 416.573 4.325 20 30 HIEDRO C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460778850 873632224 /nfs/dbraw/zinc/63/22/24/873632224.db2.gz BETVEXKGQFQBFR-VQTJNVASSA-N 1 0 416.573 4.441 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000460781668 873638654 /nfs/dbraw/zinc/63/86/54/873638654.db2.gz UVCZVCIUIPLDAB-PZJWPPBQSA-N 1 0 401.599 4.044 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460794852 873662091 /nfs/dbraw/zinc/66/20/91/873662091.db2.gz PEFRJMCNIJGLCA-LEWJYISDSA-N 1 0 409.578 4.113 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460801303 873672811 /nfs/dbraw/zinc/67/28/11/873672811.db2.gz WCCFATFSFZJHAT-BBTUJRGHSA-N 1 0 415.557 4.300 20 30 HIEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460924043 873829203 /nfs/dbraw/zinc/82/92/03/873829203.db2.gz FOGOGWPNYZDHHJ-PZJWPPBQSA-N 1 0 404.562 4.339 20 30 HIEDRO N#CCC[C@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000460936919 873837300 /nfs/dbraw/zinc/83/73/00/873837300.db2.gz ZYUDUSOYSQDTPF-SGNDLWITSA-N 1 0 402.542 4.195 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460953662 873851500 /nfs/dbraw/zinc/85/15/00/873851500.db2.gz ATPBXYFXDDGHSR-UDIDDNNKSA-N 1 0 423.605 4.408 20 30 HIEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)[C@@H](C)C1 ZINC000461478750 874536425 /nfs/dbraw/zinc/53/64/25/874536425.db2.gz KFMQHOZJHXJDRU-UWJYYQICSA-N 1 0 420.586 4.093 20 30 HIEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)[C@H](C)C1 ZINC000461478747 874536468 /nfs/dbraw/zinc/53/64/68/874536468.db2.gz KFMQHOZJHXJDRU-DYESRHJHSA-N 1 0 420.586 4.093 20 30 HIEDRO CC[NH+](CC)CCSCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000461520075 874602160 /nfs/dbraw/zinc/60/21/60/874602160.db2.gz OEOYZQPBECAHAG-UHFFFAOYSA-N 1 0 402.539 4.118 20 30 HIEDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000461979539 875100293 /nfs/dbraw/zinc/10/02/93/875100293.db2.gz ZKKSDMQXUQYDGF-UHFFFAOYSA-N 1 0 421.545 4.396 20 30 HIEDRO C[C@@H](C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1)c1cccc(C#N)c1 ZINC000462037997 875151956 /nfs/dbraw/zinc/15/19/56/875151956.db2.gz SZSKAKGBSBOPLI-GOSISDBHSA-N 1 0 404.514 4.115 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000462531534 875649024 /nfs/dbraw/zinc/64/90/24/875649024.db2.gz VHUGVDLTKVLMKY-CQSZACIVSA-N 1 0 400.336 4.015 20 30 HIEDRO Cn1cc(C[N@H+](C)CCc2cccc(Br)c2)c(-c2ccc(C#N)cc2)n1 ZINC000462830060 875864429 /nfs/dbraw/zinc/86/44/29/875864429.db2.gz SQGZAGZGTFCWIU-UHFFFAOYSA-N 1 0 409.331 4.396 20 30 HIEDRO N#Cc1cccc(COc2cccc(CNc3cccc(C[N@H+]4CC[C@@H](O)C4)c3)c2)c1 ZINC000462851645 875885793 /nfs/dbraw/zinc/88/57/93/875885793.db2.gz DUGXKEPUYAOSII-RUZDIDTESA-N 1 0 413.521 4.316 20 30 HIEDRO OC[C@H]1C[N@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)CCC1(F)F ZINC000462870072 875900745 /nfs/dbraw/zinc/90/07/45/875900745.db2.gz YSQOLASWKMIVEW-YPMHNXCESA-N 1 0 407.301 4.008 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c1C ZINC000463195172 876254818 /nfs/dbraw/zinc/25/48/18/876254818.db2.gz VUCFLCSLHYDWHO-KXHCOYLBSA-N 1 0 411.590 4.202 20 30 HIEDRO N#CCCCn1cc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c2ccccc21 ZINC000468990330 883057907 /nfs/dbraw/zinc/05/79/07/883057907.db2.gz MRSQPCRQLKAZNX-QFIPXVFZSA-N 1 0 414.553 4.239 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000464416162 877623484 /nfs/dbraw/zinc/62/34/84/877623484.db2.gz GOCVXAVEWVMBFC-PZJWPPBQSA-N 1 0 408.542 4.385 20 30 HIEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000464746847 877980679 /nfs/dbraw/zinc/98/06/79/877980679.db2.gz HBNDDEPLVZYTJV-WOJBJXKFSA-N 1 0 421.541 4.278 20 30 HIEDRO CSc1cc(C)ccc1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000464752851 877991793 /nfs/dbraw/zinc/99/17/93/877991793.db2.gz SIDPFLBKPKHFFD-UHFFFAOYSA-N 1 0 408.571 4.006 20 30 HIEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000464795710 878041316 /nfs/dbraw/zinc/04/13/16/878041316.db2.gz RWKQWRYXNDYRQQ-OAQYLSRUSA-N 1 0 403.526 4.463 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CC1 ZINC000464812058 878063655 /nfs/dbraw/zinc/06/36/55/878063655.db2.gz DRPDEROPLBDOBS-UHFFFAOYSA-N 1 0 408.276 4.044 20 30 HIEDRO C=CCSc1ccccc1NC(=O)CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464841878 878112803 /nfs/dbraw/zinc/11/28/03/878112803.db2.gz YSFFLGYZZJHDSX-NRFANRHFSA-N 1 0 409.599 4.357 20 30 HIEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CSCc1ccc(C#N)cc1 ZINC000464945921 878282102 /nfs/dbraw/zinc/28/21/02/878282102.db2.gz VIUQJQVRBOZRJM-QHCPKHFHSA-N 1 0 407.583 4.162 20 30 HIEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)NCc3cc(C#N)ccc3F)cc2)C1 ZINC000465531526 878987595 /nfs/dbraw/zinc/98/75/95/878987595.db2.gz SBFOSWQPCLPYNE-HDICACEKSA-N 1 0 408.521 4.175 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000465645575 879165419 /nfs/dbraw/zinc/16/54/19/879165419.db2.gz IQWFDMNPJLDMTN-RPWUZVMVSA-N 1 0 420.532 4.271 20 30 HIEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000503432611 912436330 /nfs/dbraw/zinc/43/63/30/912436330.db2.gz WKYIINXIQOWRAO-FQEVSTJZSA-N 1 0 421.507 4.210 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)Cc1ccc(Br)s1)C(C)C ZINC000503441893 912459451 /nfs/dbraw/zinc/45/94/51/912459451.db2.gz ZZFOTVAXPAKSBJ-MRXNPFEDSA-N 1 0 414.413 4.351 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000465887066 879542410 /nfs/dbraw/zinc/54/24/10/879542410.db2.gz GUHYWLLQFXZPMH-CAOCKLPOSA-N 1 0 416.569 4.032 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1c[nH]c2ccc(Cl)cc12 ZINC000466168014 879870260 /nfs/dbraw/zinc/87/02/60/879870260.db2.gz KQMVBWPHSKAEHB-UHFFFAOYSA-N 1 0 423.948 4.009 20 30 HIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)cc1OC ZINC000466361397 880118718 /nfs/dbraw/zinc/11/87/18/880118718.db2.gz VDJWPHDBGAZOGT-UHFFFAOYSA-N 1 0 402.922 4.040 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C3CCN(c4nccs4)CC3)c2)c1 ZINC000466417430 880189000 /nfs/dbraw/zinc/18/90/00/880189000.db2.gz YJPRCQKAHXLXQJ-UHFFFAOYSA-N 1 0 404.539 4.352 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ncccc2OCCCC#N)[C@H]1c1cccs1 ZINC000466611037 880381498 /nfs/dbraw/zinc/38/14/98/880381498.db2.gz RTPSTYNAZQBBLG-LPHOPBHVSA-N 1 0 413.547 4.030 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(c3ccc(OC)cc3)CC2)cc1 ZINC000466737698 880521542 /nfs/dbraw/zinc/52/15/42/880521542.db2.gz JNAJPJDFMFFALG-UHFFFAOYSA-N 1 0 421.541 4.220 20 30 HIEDRO Cc1ccccc1-c1noc([C@@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC000467186364 880912465 /nfs/dbraw/zinc/91/24/65/880912465.db2.gz KECSTZWUIVCUGV-LJQANCHMSA-N 1 0 401.514 4.186 20 30 HIEDRO CC(C)(C)OC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000469295997 883392491 /nfs/dbraw/zinc/39/24/91/883392491.db2.gz RHCYLTUPIUDPID-UHFFFAOYSA-N 1 0 403.592 4.497 20 30 HIEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469733572 883891835 /nfs/dbraw/zinc/89/18/35/883891835.db2.gz KQQMTHIYCKXRHF-UHFFFAOYSA-N 1 0 415.541 4.329 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc1C#N ZINC000469922578 884114512 /nfs/dbraw/zinc/11/45/12/884114512.db2.gz CGJWDPWNSGFIPH-UHFFFAOYSA-N 1 0 424.467 4.272 20 30 HIEDRO Cc1cc(Br)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000503692938 912800019 /nfs/dbraw/zinc/80/00/19/912800019.db2.gz WVQWHPANXBZSDD-UHFFFAOYSA-N 1 0 415.335 4.225 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](CC)Cc2ccccc2Br)CC1 ZINC000470058270 884306465 /nfs/dbraw/zinc/30/64/65/884306465.db2.gz UZQNXLRIPCDAIS-QGZVFWFLSA-N 1 0 408.384 4.110 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](CC)Cc2ccccc2Br)CC1 ZINC000470058269 884306586 /nfs/dbraw/zinc/30/65/86/884306586.db2.gz UZQNXLRIPCDAIS-KRWDZBQOSA-N 1 0 408.384 4.110 20 30 HIEDRO N#CCCN(C(=O)C[NH+]1CCC(c2c[nH]c3ncccc23)CC1)c1cccc(Cl)c1 ZINC000470199805 884512295 /nfs/dbraw/zinc/51/22/95/884512295.db2.gz GRZSMKUKIPTAGN-UHFFFAOYSA-N 1 0 421.932 4.343 20 30 HIEDRO CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000470202568 884516191 /nfs/dbraw/zinc/51/61/91/884516191.db2.gz ZUIWJJZOTRQKQT-OAQYLSRUSA-N 1 0 424.976 4.041 20 30 HIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000470350390 884742622 /nfs/dbraw/zinc/74/26/22/884742622.db2.gz WZMDWSVGDAYTFR-UHFFFAOYSA-N 1 0 404.474 4.061 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1 ZINC000503964977 912887881 /nfs/dbraw/zinc/88/78/81/912887881.db2.gz WDGWKGNWNZHNIK-HXUWFJFHSA-N 1 0 416.437 4.012 20 30 HIEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000471873613 886653095 /nfs/dbraw/zinc/65/30/95/886653095.db2.gz UBXDTJBGMVHZGE-UHFFFAOYSA-N 1 0 407.558 4.449 20 30 HIEDRO CSCC[C@@H](C)[N@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000472238125 887045983 /nfs/dbraw/zinc/04/59/83/887045983.db2.gz JMJKXGUZLBFXSE-OAHLLOKOSA-N 1 0 402.564 4.020 20 30 HIEDRO Cc1cc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)on1 ZINC000472438321 887287117 /nfs/dbraw/zinc/28/71/17/887287117.db2.gz GTULCZMZSLKTKW-FQEVSTJZSA-N 1 0 421.501 4.080 20 30 HIEDRO CN(CC(=O)c1cn(CCC#N)c2ccccc12)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472479805 887342893 /nfs/dbraw/zinc/34/28/93/887342893.db2.gz QDWAGGFLFYDNBL-QFIPXVFZSA-N 1 0 414.553 4.334 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000472807356 887652419 /nfs/dbraw/zinc/65/24/19/887652419.db2.gz RHWAIIZDBRRMMQ-NRFANRHFSA-N 1 0 419.569 4.115 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000473644902 888391313 /nfs/dbraw/zinc/39/13/13/888391313.db2.gz WJDVMWUZCMSLOH-UHFFFAOYSA-N 1 0 424.589 4.419 20 30 HIEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)c3ccc(C(C)(C)C#N)cc3)cc2)C[C@H](C)O1 ZINC000474775971 889634106 /nfs/dbraw/zinc/63/41/06/889634106.db2.gz PWLRSTCSOKJZLW-KDURUIRLSA-N 1 0 405.542 4.027 20 30 HIEDRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC1 ZINC000474875956 889730397 /nfs/dbraw/zinc/73/03/97/889730397.db2.gz GSLONBBXXAQXLM-UHFFFAOYSA-N 1 0 421.541 4.164 20 30 HIEDRO COc1ccc(C[NH+]2CCC(CNC(=O)c3ccc(C(C)(C)C#N)cc3)CC2)cc1 ZINC000475318919 890235795 /nfs/dbraw/zinc/23/57/95/890235795.db2.gz JRGKQPOPFBMFEP-UHFFFAOYSA-N 1 0 405.542 4.138 20 30 HIEDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475578322 890508240 /nfs/dbraw/zinc/50/82/40/890508240.db2.gz ABDMSFXPSMYLHW-QFBILLFUSA-N 1 0 417.962 4.058 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000475582398 890511953 /nfs/dbraw/zinc/51/19/53/890511953.db2.gz NBLHNVAIYKPAQB-FQEVSTJZSA-N 1 0 411.546 4.484 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@]3(CCCOC3)C2)sc2c1CCCCC2 ZINC000475737714 890678946 /nfs/dbraw/zinc/67/89/46/890678946.db2.gz DXUYUMUNWMICNJ-JOCHJYFZSA-N 1 0 401.576 4.110 20 30 HIEDRO N#Cc1ccc(CN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)C2CC2)cc1 ZINC000504839499 913562049 /nfs/dbraw/zinc/56/20/49/913562049.db2.gz BQOPSMROFKGGET-QFIPXVFZSA-N 1 0 409.480 4.207 20 30 HIEDRO CC(C)n1ncc2ccc(NC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc21 ZINC000476600586 891534636 /nfs/dbraw/zinc/53/46/36/891534636.db2.gz SAHBQLQVRCDUJV-UHFFFAOYSA-N 1 0 416.529 4.229 20 30 HIEDRO C=C(C)[C@@H](NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(F)c(F)c1 ZINC000476949020 891886566 /nfs/dbraw/zinc/88/65/66/891886566.db2.gz GXMYCSOYLQBIGE-JOCHJYFZSA-N 1 0 417.500 4.412 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(C#N)c1C ZINC000477044649 891970068 /nfs/dbraw/zinc/97/00/68/891970068.db2.gz CNOYZTRHBKLOPN-UQBPGWFLSA-N 1 0 420.557 4.083 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000477288294 892246840 /nfs/dbraw/zinc/24/68/40/892246840.db2.gz DPUFXZFLOWNBRI-QILAJZQNSA-N 1 0 414.553 4.451 20 30 HIEDRO N#Cc1ccccc1NC(=O)CC[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000477435017 892386366 /nfs/dbraw/zinc/38/63/66/892386366.db2.gz GCPUFQRRVXBKKA-UHFFFAOYSA-N 1 0 405.498 4.450 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Br)c(Cl)c1 ZINC000477461510 892426479 /nfs/dbraw/zinc/42/64/79/892426479.db2.gz HASXZJJWXKPQPG-UHFFFAOYSA-N 1 0 420.738 4.178 20 30 HIEDRO C=C(C)[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)c(F)c1 ZINC000477730035 892830493 /nfs/dbraw/zinc/83/04/93/892830493.db2.gz UWPYLCPXXGWRHM-OAQYLSRUSA-N 1 0 400.473 4.193 20 30 HIEDRO C=C(C)[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)c(F)c1 ZINC000477756003 892847024 /nfs/dbraw/zinc/84/70/24/892847024.db2.gz RPERXHHLRWRVRQ-HSZRJFAPSA-N 1 0 424.495 4.371 20 30 HIEDRO Cn1cc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000478231052 893391672 /nfs/dbraw/zinc/39/16/72/893391672.db2.gz NYDGDWXILQQMAR-GOSISDBHSA-N 1 0 409.896 4.120 20 30 HIEDRO CC(C)C[C@H](C)Oc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)ccn1 ZINC000478306229 893526519 /nfs/dbraw/zinc/52/65/19/893526519.db2.gz SRGOSSSHIWUHLP-SFHVURJKSA-N 1 0 403.530 4.457 20 30 HIEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC3(c4cccc(C#N)c4)CC3)cc2)C1 ZINC000478804873 894078039 /nfs/dbraw/zinc/07/80/39/894078039.db2.gz HISWQURALYFZBI-IBGZPJMESA-N 1 0 402.542 4.279 20 30 HIEDRO O=C(NCc1ccc(F)cc1)C1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000478960056 894240166 /nfs/dbraw/zinc/24/01/66/894240166.db2.gz RPISWIXNFQVNJP-UHFFFAOYSA-N 1 0 418.434 4.224 20 30 HIEDRO C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479211591 894475462 /nfs/dbraw/zinc/47/54/62/894475462.db2.gz FSQQAVFPYNAGDR-FQEVSTJZSA-N 1 0 419.569 4.426 20 30 HIEDRO N#CC1(NC(=O)c2ccc3ccc(Cl)cc3n2)CC[NH+](Cc2ccccc2)CC1 ZINC000479224603 894486277 /nfs/dbraw/zinc/48/62/77/894486277.db2.gz XTUZCQSTIHDWBH-UHFFFAOYSA-N 1 0 404.901 4.176 20 30 HIEDRO N#CC1(NC(=O)Cc2ccc(Cl)c(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479243883 894506044 /nfs/dbraw/zinc/50/60/44/894506044.db2.gz MAUNJJNHWCAQCP-UHFFFAOYSA-N 1 0 402.325 4.210 20 30 HIEDRO N#CC1(NC(=O)c2cc(Oc3ccccc3)ccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000479250927 894516872 /nfs/dbraw/zinc/51/68/72/894516872.db2.gz UTFNXYKWRZBJFS-UHFFFAOYSA-N 1 0 412.493 4.162 20 30 HIEDRO N#CC1(NC(=O)COc2cc(Cl)cc(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479268958 894542429 /nfs/dbraw/zinc/54/24/29/894542429.db2.gz AVMMOOIUFXKFQX-UHFFFAOYSA-N 1 0 418.324 4.047 20 30 HIEDRO Cc1cccc(OCCCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479345995 894640993 /nfs/dbraw/zinc/64/09/93/894640993.db2.gz OWVIGDCMASHMDL-UHFFFAOYSA-N 1 0 405.542 4.219 20 30 HIEDRO N#Cc1ccc(Oc2ccc(C(=O)N3CCC(CCC[NH+]4CCCC4)CC3)cc2)nc1 ZINC000505260756 913917292 /nfs/dbraw/zinc/91/72/92/913917292.db2.gz HRCPKHDNGCPCQW-UHFFFAOYSA-N 1 0 418.541 4.474 20 30 HIEDRO Cn1cc(C[NH2+]CCOc2cccc(C(F)(F)F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000479919903 895267815 /nfs/dbraw/zinc/26/78/15/895267815.db2.gz QDZMOCCSGREIHG-UHFFFAOYSA-N 1 0 400.404 4.146 20 30 HIEDRO CCOc1ccc(CC[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OCC ZINC000479959495 895311117 /nfs/dbraw/zinc/31/11/17/895311117.db2.gz JUWNVLSXOATBCU-UHFFFAOYSA-N 1 0 404.514 4.088 20 30 HIEDRO N#Cc1ccc2ncc(C[NH2+]Cc3ccc(Br)cc3C(F)(F)F)n2c1 ZINC000479960671 895314046 /nfs/dbraw/zinc/31/40/46/895314046.db2.gz GDNUIUIDSQKXHC-UHFFFAOYSA-N 1 0 409.209 4.277 20 30 HIEDRO Cn1cc(C[NH2+]Cc2ccc(NC(=O)c3ccco3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000479978277 895330865 /nfs/dbraw/zinc/33/08/65/895330865.db2.gz JURSQRQQVKYBSW-UHFFFAOYSA-N 1 0 411.465 4.094 20 30 HIEDRO Cn1cc(C[NH2+]CCc2cc(Br)ccc2F)c(-c2ccc(C#N)cc2)n1 ZINC000480038068 895386868 /nfs/dbraw/zinc/38/68/68/895386868.db2.gz AZIXVWNYSMGVGK-UHFFFAOYSA-N 1 0 413.294 4.193 20 30 HIEDRO C[NH+](C)[C@@]1(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCSC1 ZINC000480266811 895675484 /nfs/dbraw/zinc/67/54/84/895675484.db2.gz PKJVZAWUXIZEAX-JOCHJYFZSA-N 1 0 411.596 4.018 20 30 HIEDRO COc1cc2c(cc1OC)C[N@H+](Cc1ccccc1NCc1cc(C#N)n(C)c1)CC2 ZINC000480267503 895675556 /nfs/dbraw/zinc/67/55/56/895675556.db2.gz SIIUELAAPMFJFA-UHFFFAOYSA-N 1 0 416.525 4.084 20 30 HIEDRO Cn1cc(C[NH2+]C2(c3ccc(OCc4ccccc4)cc3)CCOCC2)cc1C#N ZINC000480363446 895770323 /nfs/dbraw/zinc/77/03/23/895770323.db2.gz OWAJJYKMCZTLRC-UHFFFAOYSA-N 1 0 401.510 4.271 20 30 HIEDRO N#Cc1ccccc1Oc1ccccc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000480864222 896228891 /nfs/dbraw/zinc/22/88/91/896228891.db2.gz LOGRFJWCCCACJM-UHFFFAOYSA-N 1 0 412.493 4.392 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000481174518 896509453 /nfs/dbraw/zinc/50/94/53/896509453.db2.gz HSIYBPWJQMOZHS-ZJSXRUAMSA-N 1 0 418.585 4.050 20 30 HIEDRO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481185843 896532796 /nfs/dbraw/zinc/53/27/96/896532796.db2.gz UWVGAVZGJMKEGG-JLHGSKIFSA-N 1 0 410.949 4.039 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2F)c1 ZINC000481620070 897002470 /nfs/dbraw/zinc/00/24/70/897002470.db2.gz CIHLHJBVRCWVRY-VQTJNVASSA-N 1 0 408.477 4.025 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)NC3CC[NH+](C4CC4)CC3)cc2F)c1 ZINC000481735596 897129712 /nfs/dbraw/zinc/12/97/12/897129712.db2.gz ATLULKBJGVXRQO-UHFFFAOYSA-N 1 0 408.477 4.025 20 30 HIEDRO N#CCSc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000481887705 897262077 /nfs/dbraw/zinc/26/20/77/897262077.db2.gz MABHXORXUZYREB-FYYLOGMGSA-N 1 0 405.567 4.429 20 30 HIEDRO CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481922319 897306412 /nfs/dbraw/zinc/30/64/12/897306412.db2.gz YAHOCWILAYFJJP-AREMUKBSSA-N 1 0 402.586 4.253 20 30 HIEDRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3cc(C#N)cn3C(C)(C)C)CC[N@@H+]2C2CC2)c1 ZINC000481926850 897310631 /nfs/dbraw/zinc/31/06/31/897310631.db2.gz WDDCDWVICGXGNK-UNMCSNQZSA-N 1 0 421.545 4.223 20 30 HIEDRO COC(=O)c1ccccc1-c1ccc(CN2CCO[C@H](c3cccc(C#N)c3)C2)o1 ZINC000481983795 897377537 /nfs/dbraw/zinc/37/75/37/897377537.db2.gz LNMUJKSWMNLHRE-QHCPKHFHSA-N 1 0 402.450 4.178 20 30 HIEDRO COc1cc(I)c(Cl)cc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000482004307 897400921 /nfs/dbraw/zinc/40/09/21/897400921.db2.gz VWZSIFPOEVZNRK-CMPLNLGQSA-N 1 0 404.679 4.125 20 30 HIEDRO C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000482098630 897544072 /nfs/dbraw/zinc/54/40/72/897544072.db2.gz LJFHOPJBUDURLE-UGKGYDQZSA-N 1 0 405.542 4.227 20 30 HIEDRO N#Cc1ccc(OCc2cccc(C(=O)NC3CC[NH+](C4CCCC4)CC3)c2)cc1 ZINC000482635823 898238524 /nfs/dbraw/zinc/23/85/24/898238524.db2.gz YFOFMORDSRSSCB-UHFFFAOYSA-N 1 0 403.526 4.274 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000505542537 914239104 /nfs/dbraw/zinc/23/91/04/914239104.db2.gz JXBUNAGEXIINCJ-UHFFFAOYSA-N 1 0 405.527 4.277 20 30 HIEDRO Cc1nc2ccccc2n1C1CC[NH+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000482866056 898477793 /nfs/dbraw/zinc/47/77/93/898477793.db2.gz DVWKEDSOOCJLGD-XMMPIXPASA-N 1 0 413.525 4.049 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ncc(Cc2ccccc2)s1 ZINC000505552346 914256422 /nfs/dbraw/zinc/25/64/22/914256422.db2.gz YTRUAORKISSNRJ-UHFFFAOYSA-N 1 0 419.554 4.201 20 30 HIEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC[C@@H]21 ZINC000483040766 898709628 /nfs/dbraw/zinc/70/96/28/898709628.db2.gz AFRSXMRYRNNMOC-URXFXBBRSA-N 1 0 418.541 4.280 20 30 HIEDRO OC[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)c1ccc(Cl)cc1C(F)(F)F ZINC000483244444 898886747 /nfs/dbraw/zinc/88/67/47/898886747.db2.gz ZGMOXLNHDWHYGN-NSHDSACASA-N 1 0 415.708 4.196 20 30 HIEDRO CS[C@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C[C@H]1[NH+]1CCCC1 ZINC000483385019 899020288 /nfs/dbraw/zinc/02/02/88/899020288.db2.gz KQQQOAFVVOAPLQ-GGAORHGYSA-N 1 0 421.566 4.311 20 30 HIEDRO N#Cc1cccc(-c2nnc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)o2)c1 ZINC000483476651 899121780 /nfs/dbraw/zinc/12/17/80/899121780.db2.gz ALDFLKGPGRICJW-XZOQPEGZSA-N 1 0 413.525 4.095 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000483503262 899163200 /nfs/dbraw/zinc/16/32/00/899163200.db2.gz LUFYOUWEZXNUNL-UHFFFAOYSA-N 1 0 410.493 4.224 20 30 HIEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC[C@@H]21 ZINC000483568095 899222545 /nfs/dbraw/zinc/22/25/45/899222545.db2.gz ZIJICUPEFHNBLS-UNMCSNQZSA-N 1 0 405.567 4.407 20 30 HIEDRO C[N@@H+](Cc1cccc(NS(=O)(=O)c2ccccc2)c1)Cc1ccc(C#N)c(F)c1 ZINC000483588893 899240134 /nfs/dbraw/zinc/24/01/34/899240134.db2.gz FMGFXIXVZVKXJF-UHFFFAOYSA-N 1 0 409.486 4.130 20 30 HIEDRO C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000505636357 914336839 /nfs/dbraw/zinc/33/68/39/914336839.db2.gz OZRTXOLAZZTBEU-UZUQRXQVSA-N 1 0 400.482 4.167 20 30 HIEDRO CSc1cccc(N(C(=O)[C@H](C)Oc2ccccc2C#N)C2CC[NH+](C)CC2)c1 ZINC000484299897 899861578 /nfs/dbraw/zinc/86/15/78/899861578.db2.gz ZACZADVMGQBCEY-KRWDZBQOSA-N 1 0 409.555 4.175 20 30 HIEDRO C=CCOc1ccc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1 ZINC000505724360 914405879 /nfs/dbraw/zinc/40/58/79/914405879.db2.gz BKNCVNVIOZIYAQ-UHFFFAOYSA-N 1 0 407.514 4.318 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1n1cccn1)CCCCC2 ZINC000484632943 900083811 /nfs/dbraw/zinc/08/38/11/900083811.db2.gz NPTNVRUEWSEZPP-RTBURBONSA-N 1 0 411.575 4.187 20 30 HIEDRO C=CC[N@@H+](CC(=O)Nc1ccccc1I)CC1CCCCC1 ZINC000484668332 900109899 /nfs/dbraw/zinc/10/98/99/900109899.db2.gz GQVMYGMSYCJNMV-UHFFFAOYSA-N 1 0 412.315 4.298 20 30 HIEDRO CN(c1ccccc1)C1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000505786088 914452090 /nfs/dbraw/zinc/45/20/90/914452090.db2.gz XWUUMAGEWDFHAQ-UHFFFAOYSA-N 1 0 408.571 4.038 20 30 HIEDRO CC[N@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)[C@@H](C)c1ccc(C#N)cc1 ZINC000505788639 914453742 /nfs/dbraw/zinc/45/37/42/914453742.db2.gz BYXPVBPGWBNGLX-BVZFJXPGSA-N 1 0 421.541 4.226 20 30 HIEDRO CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000485771174 901027563 /nfs/dbraw/zinc/02/75/63/901027563.db2.gz PWCPNZIQFJUCQC-NSISKUIASA-N 1 0 403.592 4.402 20 30 HIEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cc(F)cc(Br)c1 ZINC000485827055 901072993 /nfs/dbraw/zinc/07/29/93/901072993.db2.gz YVSXPTVXVPIIPF-SUMWQHHRSA-N 1 0 410.331 4.360 20 30 HIEDRO C=CCSc1ccccc1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000486227602 901410580 /nfs/dbraw/zinc/41/05/80/901410580.db2.gz HKGFLXVYIQNFDE-UHFFFAOYSA-N 1 0 414.546 4.377 20 30 HIEDRO C=CCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cc1OC ZINC000486447119 901605396 /nfs/dbraw/zinc/60/53/96/901605396.db2.gz DSPBYDHJAMLSMU-NTKDMRAZSA-N 1 0 409.530 4.149 20 30 HIEDRO N#Cc1cccc(OCC[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)c1 ZINC000486832929 901884390 /nfs/dbraw/zinc/88/43/90/901884390.db2.gz IOIYJUZOVIZFBQ-HYBUGGRVSA-N 1 0 400.482 4.041 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](Cc2cccc(Br)c2)CC(C)C)CC1 ZINC000487238859 902110829 /nfs/dbraw/zinc/11/08/29/902110829.db2.gz CVWAAXLVPBDJGM-GOSISDBHSA-N 1 0 407.396 4.421 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000487400655 902184341 /nfs/dbraw/zinc/18/43/41/902184341.db2.gz DVPRRVCRSXCDNH-VQIMIIECSA-N 1 0 420.582 4.193 20 30 HIEDRO N#Cc1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1Br ZINC000487869767 902416721 /nfs/dbraw/zinc/41/67/21/902416721.db2.gz ABFGRBYHFLMDLV-MRXNPFEDSA-N 1 0 419.367 4.441 20 30 HIEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)o1 ZINC000487955556 902481494 /nfs/dbraw/zinc/48/14/94/902481494.db2.gz WORQHHISSCQHKA-FQEVSTJZSA-N 1 0 421.541 4.458 20 30 HIEDRO C[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000487997347 902519969 /nfs/dbraw/zinc/51/99/69/902519969.db2.gz VXBHSOQHOWWXSK-SCLBCKFNSA-N 1 0 401.308 4.134 20 30 HIEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccccc1Sc1ccccc1C#N ZINC000488043506 902559950 /nfs/dbraw/zinc/55/99/50/902559950.db2.gz QHXKLSFYDMNPQZ-SFHVURJKSA-N 1 0 421.566 4.035 20 30 HIEDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2cccc(Br)c21 ZINC000488489076 902851874 /nfs/dbraw/zinc/85/18/74/902851874.db2.gz AEAOQAQPVNBQLI-VOBQZIQPSA-N 1 0 424.342 4.260 20 30 HIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCc4c3cc(Cl)cc4Cl)C2=O)cc1 ZINC000488505340 902861040 /nfs/dbraw/zinc/86/10/40/902861040.db2.gz MYYZEXFDUMTJHJ-PMACEKPBSA-N 1 0 400.309 4.243 20 30 HIEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000489815523 903610520 /nfs/dbraw/zinc/61/05/20/903610520.db2.gz WJGOGEXBCTUDMG-XZOQPEGZSA-N 1 0 408.521 4.282 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 ZINC000489817290 903611312 /nfs/dbraw/zinc/61/13/12/903611312.db2.gz GEXCRYCXTKXVEN-AKAGGGOCSA-N 1 0 416.569 4.378 20 30 HIEDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C[C@@H](C)C1 ZINC000489908267 903666564 /nfs/dbraw/zinc/66/65/64/903666564.db2.gz FLVNCAVNUOCBFF-AXHZCLLHSA-N 1 0 402.542 4.097 20 30 HIEDRO C[C@H]1CN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC[N@@H+](C2CCC2)C1 ZINC000489916967 903672562 /nfs/dbraw/zinc/67/25/62/903672562.db2.gz QSGRXSONLPRGOI-LJQANCHMSA-N 1 0 402.542 4.241 20 30 HIEDRO CCC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)C[C@@H]1COc2ccccc2O1 ZINC000491195320 904477285 /nfs/dbraw/zinc/47/72/85/904477285.db2.gz UPLVDQJIDMDOFY-OAQYLSRUSA-N 1 0 402.498 4.011 20 30 HIEDRO Cn1cc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c(-c2ccc(C#N)cc2)n1 ZINC000491206301 904482536 /nfs/dbraw/zinc/48/25/36/904482536.db2.gz SKOCTSUUKLVNNK-QHCPKHFHSA-N 1 0 404.489 4.279 20 30 HIEDRO COc1ccc(C[C@@H]2CCC[N@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)cc1 ZINC000491247924 904501500 /nfs/dbraw/zinc/50/15/00/904501500.db2.gz HBAOKBWXMVKJQE-NRFANRHFSA-N 1 0 400.526 4.422 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H](c4nc5ccc(F)cc5o4)C3)C2=O)cc1 ZINC000492731572 904896790 /nfs/dbraw/zinc/89/67/90/904896790.db2.gz WVENMIZLMDYGHE-UWJYYQICSA-N 1 0 418.472 4.214 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000494489198 905772998 /nfs/dbraw/zinc/77/29/98/905772998.db2.gz CGVDJHRKVOJTQH-JHVJFLLYSA-N 1 0 415.896 4.234 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000494515911 905807130 /nfs/dbraw/zinc/80/71/30/905807130.db2.gz ZTWUZUBWBZNXKW-IWMITWMQSA-N 1 0 415.896 4.234 20 30 HIEDRO CC[N@H+](CCNC(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F)CCC(F)(F)F ZINC000494578323 905846463 /nfs/dbraw/zinc/84/64/63/905846463.db2.gz HFLNLBIWIUDGGP-CYBMUJFWSA-N 1 0 421.332 4.142 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](OCC3CC3)C2)sc2c1CCCCC2 ZINC000494714252 905916610 /nfs/dbraw/zinc/91/66/10/905916610.db2.gz WKAUNIMHAPAYES-QGZVFWFLSA-N 1 0 401.576 4.108 20 30 HIEDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000495008245 906169696 /nfs/dbraw/zinc/16/96/96/906169696.db2.gz XCHURQNCMYBWKW-GHDARCQNSA-N 1 0 424.589 4.009 20 30 HIEDRO C[NH+](C)CC1(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CCCCC1 ZINC000495099958 906240000 /nfs/dbraw/zinc/24/00/00/906240000.db2.gz SHWMJTFKTXVHDJ-UHFFFAOYSA-N 1 0 415.588 4.153 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](C)[C@H](C)c2ccccc2)c1C#N ZINC000495405816 906430960 /nfs/dbraw/zinc/43/09/60/906430960.db2.gz BXHCSAMSFKLFLI-FUHWJXTLSA-N 1 0 404.514 4.338 20 30 HIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cccc(OCC(F)(F)F)c3)CC2)c1 ZINC000512585107 921249848 /nfs/dbraw/zinc/24/98/48/921249848.db2.gz BELBRHYPJFHZSK-UHFFFAOYSA-N 1 0 417.431 4.350 20 30 HIEDRO N#C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Br)c1 ZINC000496274925 906646726 /nfs/dbraw/zinc/64/67/26/906646726.db2.gz ZXPOAPZMOIYTHB-AZUAARDMSA-N 1 0 412.331 4.042 20 30 HIEDRO N#Cc1cccc(NC(=O)C2CCN(Cc3ccccc3OC(F)(F)F)CC2)c1 ZINC000512611719 921260208 /nfs/dbraw/zinc/26/02/08/921260208.db2.gz BBSBCCXAUYQTRK-UHFFFAOYSA-N 1 0 403.404 4.308 20 30 HIEDRO COc1ccc(CC[C@@H]2CCCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)cc1OC ZINC000512632989 921268610 /nfs/dbraw/zinc/26/86/10/921268610.db2.gz KERPUAOZCKDNBV-FQEVSTJZSA-N 1 0 404.514 4.210 20 30 HIEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1OC ZINC000512685344 921286447 /nfs/dbraw/zinc/28/64/47/921286447.db2.gz BOYLMBCZJJIPKG-UHFFFAOYSA-N 1 0 408.542 4.097 20 30 HIEDRO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593379 907075153 /nfs/dbraw/zinc/07/51/53/907075153.db2.gz AUYCSISQESUVGU-PGRDOPGGSA-N 1 0 419.525 4.076 20 30 HIEDRO CCOC(=O)c1c(NC(=O)c2sccc2C#N)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000497991769 907468699 /nfs/dbraw/zinc/46/86/99/907468699.db2.gz RNMAYGSBQQKQHR-UHFFFAOYSA-N 1 0 417.556 4.270 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)c(F)c1 ZINC000512841040 921344192 /nfs/dbraw/zinc/34/41/92/921344192.db2.gz PYATTXMQFIDQHO-SFHVURJKSA-N 1 0 422.422 4.163 20 30 HIEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000498464159 907930710 /nfs/dbraw/zinc/93/07/10/907930710.db2.gz YBCSUQRCHMUWFE-FQEVSTJZSA-N 1 0 405.542 4.379 20 30 HIEDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000498503665 907975511 /nfs/dbraw/zinc/97/55/11/907975511.db2.gz CZTHAASEFFPREF-UHFFFAOYSA-N 1 0 406.530 4.330 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)ccc1OC ZINC000512874533 921372553 /nfs/dbraw/zinc/37/25/53/921372553.db2.gz PSUALSWBQHNXPW-OAQYLSRUSA-N 1 0 420.347 4.410 20 30 HIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498708461 908135031 /nfs/dbraw/zinc/13/50/31/908135031.db2.gz UYRFIUDNBMGVBE-RDPSFJRHSA-N 1 0 404.558 4.389 20 30 HIEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C[C@@H]1C ZINC000499564678 908841910 /nfs/dbraw/zinc/84/19/10/908841910.db2.gz SXOOGHHVCJBNPF-RBUKOAKNSA-N 1 0 406.530 4.392 20 30 HIEDRO C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000499576905 908845381 /nfs/dbraw/zinc/84/53/81/908845381.db2.gz RPAAAQSSANZKPU-VQIMIIECSA-N 1 0 407.352 4.311 20 30 HIEDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@H]1C ZINC000499592621 908849953 /nfs/dbraw/zinc/84/99/53/908849953.db2.gz PWLMHRLZZFCAJV-MOPGFXCFSA-N 1 0 406.530 4.278 20 30 HIEDRO C=CCN1CC[C@H]([NH2+][C@H](C)c2sc(-c3ccc(Br)cc3)nc2C)C1=O ZINC000499629482 908861329 /nfs/dbraw/zinc/86/13/29/908861329.db2.gz ZRJWLMJRWRJVKP-WBMJQRKESA-N 1 0 420.376 4.319 20 30 HIEDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000499629775 908861400 /nfs/dbraw/zinc/86/14/00/908861400.db2.gz AFGFTWMCHASKOS-MRXNPFEDSA-N 1 0 414.347 4.015 20 30 HIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)ccc1OC ZINC000513037612 921496144 /nfs/dbraw/zinc/49/61/44/921496144.db2.gz UIHWJGUCAQYNJZ-NRFANRHFSA-N 1 0 408.542 4.292 20 30 HIEDRO COc1ccc([C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)N2CCOCC2)cc1 ZINC000500012181 909465958 /nfs/dbraw/zinc/46/59/58/909465958.db2.gz UOXKBPNUCWTUEJ-CNWYCCFASA-N 1 0 419.569 4.062 20 30 HIEDRO C[NH+](C)CCOc1cccc(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1 ZINC000500313220 909775859 /nfs/dbraw/zinc/77/58/59/909775859.db2.gz FBKIRZVQQYADJZ-UHFFFAOYSA-N 1 0 415.493 4.330 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)ccc1OC ZINC000500481025 909884335 /nfs/dbraw/zinc/88/43/35/909884335.db2.gz IDQWUMDZYALREA-QFIPXVFZSA-N 1 0 404.510 4.343 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccccc1 ZINC000513095653 921545538 /nfs/dbraw/zinc/54/55/38/921545538.db2.gz LENMZCOLPIPXDL-OAQYLSRUSA-N 1 0 420.492 4.088 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)c1ccccc1 ZINC000513095652 921546206 /nfs/dbraw/zinc/54/62/06/921546206.db2.gz LENMZCOLPIPXDL-NRFANRHFSA-N 1 0 420.492 4.088 20 30 HIEDRO C=CCc1cc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cc(OC)c1OC ZINC000500908893 910178655 /nfs/dbraw/zinc/17/86/55/910178655.db2.gz NZXWRQLKFKIMCS-UHFFFAOYSA-N 1 0 400.563 4.161 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501377156 910505297 /nfs/dbraw/zinc/50/52/97/910505297.db2.gz QMJUQNRKAFOUEJ-QPPBQGQZSA-N 1 0 423.605 4.462 20 30 HIEDRO C=CCOc1cccc(C[N@@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000501695835 910765957 /nfs/dbraw/zinc/76/59/57/910765957.db2.gz IHHBYMNEKGGTRF-FQEVSTJZSA-N 1 0 408.546 4.483 20 30 HIEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)ccn1 ZINC000501744099 910804513 /nfs/dbraw/zinc/80/45/13/910804513.db2.gz SEUYDYHSELESFF-UHFFFAOYSA-N 1 0 405.329 4.244 20 30 HIEDRO C=CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 ZINC000501765080 910820677 /nfs/dbraw/zinc/82/06/77/910820677.db2.gz AHJWPPNUHJFGIT-HXUWFJFHSA-N 1 0 408.546 4.483 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)CC1 ZINC000502296320 911254545 /nfs/dbraw/zinc/25/45/45/911254545.db2.gz XMKQHAKYTROZFJ-JOCHJYFZSA-N 1 0 412.965 4.359 20 30 HIEDRO CC[C@@H]1C[C@]1([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)c1cccc(C)c1 ZINC000502494103 911494368 /nfs/dbraw/zinc/49/43/68/911494368.db2.gz JQEWTKUYWQKKMF-CJFMBICVSA-N 1 0 422.573 4.175 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCCC12CCOCC2)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000502824231 911839939 /nfs/dbraw/zinc/83/99/39/911839939.db2.gz MDQFICWDZBSKMY-KXBFYZLASA-N 1 0 401.576 4.155 20 30 HIEDRO CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502919666 911905722 /nfs/dbraw/zinc/90/57/22/911905722.db2.gz PFDZLYIPSQYJLT-MRXNPFEDSA-N 1 0 412.921 4.279 20 30 HIEDRO Cc1cc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)nn1-c1cccc(C#N)c1 ZINC000502925546 911911742 /nfs/dbraw/zinc/91/17/42/911911742.db2.gz MOYDRQBILMHRDA-UHFFFAOYSA-N 1 0 413.525 4.333 20 30 HIEDRO C=CCOc1ccc(C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)cc1OC ZINC000502969427 911949373 /nfs/dbraw/zinc/94/93/73/911949373.db2.gz OYEWYDCDOJXLNV-UHFFFAOYSA-N 1 0 412.555 4.370 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487173 915092234 /nfs/dbraw/zinc/09/22/34/915092234.db2.gz NSPWCCLZYXOKBH-ROUUACIJSA-N 1 0 414.619 4.023 20 30 HIEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](C)c2ccc3n[nH]cc3c2)c1C#N ZINC000513406817 921774385 /nfs/dbraw/zinc/77/43/85/921774385.db2.gz XYEPTUPGRQKWDU-INIZCTEOSA-N 1 0 412.497 4.131 20 30 HIEDRO COC(=O)c1cc(C(C)C)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000506830077 915602009 /nfs/dbraw/zinc/60/20/09/915602009.db2.gz BKRILPIUIIEDLG-UHFFFAOYSA-N 1 0 422.529 4.064 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)c1cccs1 ZINC000513427691 921797031 /nfs/dbraw/zinc/79/70/31/921797031.db2.gz VYYPLDCIXWIRAA-HXUWFJFHSA-N 1 0 405.523 4.231 20 30 HIEDRO C=CCc1cc(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc(OC)c1OC ZINC000507096294 915867561 /nfs/dbraw/zinc/86/75/61/915867561.db2.gz CKEXVABGOHZPKR-UHFFFAOYSA-N 1 0 422.569 4.213 20 30 HIEDRO CCOc1cc(C[N@H+](Cc2ccc(C#N)cc2)C(C)C)ccc1O[C@H](C)C(=O)N(C)C ZINC000507140289 915886108 /nfs/dbraw/zinc/88/61/08/915886108.db2.gz BZSVVHSIYPGVPH-LJQANCHMSA-N 1 0 423.557 4.223 20 30 HIEDRO COc1ccccc1[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)[NH+]1CCCCC1 ZINC000507163743 915904059 /nfs/dbraw/zinc/90/40/59/915904059.db2.gz ZYRVWMHJRCOWNC-JOCHJYFZSA-N 1 0 423.532 4.327 20 30 HIEDRO N#Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccc(CC[NH+]2CCCCC2)cc1 ZINC000507288554 916055929 /nfs/dbraw/zinc/05/59/29/916055929.db2.gz AEXRYDXYTJZHRN-UHFFFAOYSA-N 1 0 403.935 4.041 20 30 HIEDRO CC[N@H+](CCC1CCN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CC1)CC1CC1 ZINC000507395724 916157526 /nfs/dbraw/zinc/15/75/26/916157526.db2.gz BIJLYYSXGYRCMR-UHFFFAOYSA-N 1 0 419.573 4.027 20 30 HIEDRO Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507424210 916194649 /nfs/dbraw/zinc/19/46/49/916194649.db2.gz TVSHAOXNJJTBIJ-YWZLYKJASA-N 1 0 417.538 4.231 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000507652575 916414385 /nfs/dbraw/zinc/41/43/85/916414385.db2.gz IZSDPCUFAANXPX-UHFFFAOYSA-N 1 0 402.586 4.192 20 30 HIEDRO CC[NH+](CC)Cc1cccc(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000507667115 916433667 /nfs/dbraw/zinc/43/36/67/916433667.db2.gz TWUQRQMUNXHKNX-UHFFFAOYSA-N 1 0 422.548 4.072 20 30 HIEDRO COc1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)ccc1OC(F)F ZINC000507733951 916526039 /nfs/dbraw/zinc/52/60/39/916526039.db2.gz UIUPVKADNWYXSU-UHFFFAOYSA-N 1 0 403.429 4.043 20 30 HIEDRO COCc1ccccc1/C=C(/C)C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000507985432 916828932 /nfs/dbraw/zinc/82/89/32/916828932.db2.gz OKKPKUDXBOGDPF-RGEXLXHISA-N 1 0 403.526 4.459 20 30 HIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)ccc1OC ZINC000507998154 916839838 /nfs/dbraw/zinc/83/98/38/916839838.db2.gz KEEUKXICLJYERS-FQEVSTJZSA-N 1 0 409.530 4.204 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCCCC[NH+]2CCCC2)cc1C ZINC000508106920 916922682 /nfs/dbraw/zinc/92/26/82/916922682.db2.gz RUTJMGIWLXCLNX-UHFFFAOYSA-N 1 0 407.562 4.077 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(C)(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000508159021 916980049 /nfs/dbraw/zinc/98/00/49/916980049.db2.gz DQWWYCNTJCPAQE-SFHVURJKSA-N 1 0 410.484 4.424 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000508237766 917056306 /nfs/dbraw/zinc/05/63/06/917056306.db2.gz AJNOIDGVUXJRGT-UHFFFAOYSA-N 1 0 408.502 4.213 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000508243645 917060740 /nfs/dbraw/zinc/06/07/40/917060740.db2.gz RVKYPEQDBIFMED-MOPGFXCFSA-N 1 0 406.486 4.107 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000508272600 917090692 /nfs/dbraw/zinc/09/06/92/917090692.db2.gz IDCWVRAIYNQQLD-UHFFFAOYSA-N 1 0 420.513 4.451 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(C)(C#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000508431390 917219541 /nfs/dbraw/zinc/21/95/41/917219541.db2.gz QPSJUXDXRNKXLP-IEBWSBKVSA-N 1 0 422.495 4.424 20 30 HIEDRO C=CCn1c(-c2cccnc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508476353 917260551 /nfs/dbraw/zinc/26/05/51/917260551.db2.gz CNVQXQIDEHSUHP-DHIUTWEWSA-N 1 0 414.557 4.017 20 30 HIEDRO C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508498163 917282350 /nfs/dbraw/zinc/28/23/50/917282350.db2.gz PXEKFQVTSABCIL-AWEZNQCLSA-N 1 0 422.396 4.020 20 30 HIEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[N@H+](Cc2ccccc2)[C@@H](CCC)C1 ZINC000508499144 917284159 /nfs/dbraw/zinc/28/41/59/917284159.db2.gz XNCHRZORDWXURT-ILWGZMRPSA-N 1 0 409.578 4.053 20 30 HIEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508504349 917289976 /nfs/dbraw/zinc/28/99/76/917289976.db2.gz KDMQSBITVCRAMY-HXUWFJFHSA-N 1 0 416.573 4.300 20 30 HIEDRO CC[N@H+](Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000508605127 917374562 /nfs/dbraw/zinc/37/45/62/917374562.db2.gz PVSRSNZTMZKKJR-IBGZPJMESA-N 1 0 421.541 4.151 20 30 HIEDRO C=CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508798443 917553779 /nfs/dbraw/zinc/55/37/79/917553779.db2.gz SSAUFOFHWNEBOO-PMACEKPBSA-N 1 0 411.569 4.285 20 30 HIEDRO C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000508868831 917623428 /nfs/dbraw/zinc/62/34/28/917623428.db2.gz XMWNLUINUSJDCC-NFBKMPQASA-N 1 0 421.589 4.089 20 30 HIEDRO C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508873373 917626725 /nfs/dbraw/zinc/62/67/25/917626725.db2.gz MRDKZEUNWNFMMW-GHTZIAJQSA-N 1 0 411.981 4.161 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000508879671 917631890 /nfs/dbraw/zinc/63/18/90/917631890.db2.gz JXPRVZBHUOZOHW-PGRDOPGGSA-N 1 0 410.518 4.292 20 30 HIEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000508880979 917634047 /nfs/dbraw/zinc/63/40/47/917634047.db2.gz NZMAJFYQBPWWET-UHFFFAOYSA-N 1 0 416.573 4.183 20 30 HIEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[NH+](C)C ZINC000508892132 917647972 /nfs/dbraw/zinc/64/79/72/917647972.db2.gz HXYCIYZUTLLVJR-NTKDMRAZSA-N 1 0 420.557 4.111 20 30 HIEDRO C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000508897659 917653255 /nfs/dbraw/zinc/65/32/55/917653255.db2.gz YNYDSWTZVYBSCV-IBGZPJMESA-N 1 0 424.549 4.132 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508999328 917753041 /nfs/dbraw/zinc/75/30/41/917753041.db2.gz VVFDSJZOLAWEHG-MSOLQXFVSA-N 1 0 417.985 4.426 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)c1C#N ZINC000509500972 918146965 /nfs/dbraw/zinc/14/69/65/918146965.db2.gz BXWMVAKRXIVCJX-MAUKXSAKSA-N 1 0 406.555 4.118 20 30 HIEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)cc1 ZINC000509518531 918168723 /nfs/dbraw/zinc/16/87/23/918168723.db2.gz GHNGAAMRVRRJKH-UHFFFAOYSA-N 1 0 400.906 4.461 20 30 HIEDRO COCC[N@H+](C)CC[C@@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000509548752 918199507 /nfs/dbraw/zinc/19/95/07/918199507.db2.gz JIYRDSQCNWCJNA-JOCHJYFZSA-N 1 0 408.546 4.319 20 30 HIEDRO CC[N@@H+]1CCC[C@@H](CN(C)c2ccc(C#N)c(C(F)(F)F)c2)[C@@H]1c1cnn(C)c1 ZINC000509599246 918250418 /nfs/dbraw/zinc/25/04/18/918250418.db2.gz IGRVIVCGLFQWCV-OXJNMPFZSA-N 1 0 405.468 4.220 20 30 HIEDRO C=CCOc1ccc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)cc1OC ZINC000509736505 918356868 /nfs/dbraw/zinc/35/68/68/918356868.db2.gz SEGYZZPGKMNJKW-UHFFFAOYSA-N 1 0 413.493 4.185 20 30 HIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 ZINC000509930956 918530778 /nfs/dbraw/zinc/53/07/78/918530778.db2.gz NMLJZEDMPRJLCM-UHFFFAOYSA-N 1 0 420.557 4.305 20 30 HIEDRO C[C@@H]1C[C@@H](CCNC(=O)CSCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000510195811 918744931 /nfs/dbraw/zinc/74/49/31/918744931.db2.gz VRKYHIFCLJESQO-AUSIDOKSSA-N 1 0 407.583 4.208 20 30 HIEDRO C=CCOc1ccc(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc1OC ZINC000510209239 918756574 /nfs/dbraw/zinc/75/65/74/918756574.db2.gz GKOSNZOIIPSOCG-CTNGQTDRSA-N 1 0 408.542 4.291 20 30 HIEDRO N#Cc1cccc(COc2cccc(CN3CCNC(=O)C[C@H]3c3ccccc3)c2)c1 ZINC000510519466 918964761 /nfs/dbraw/zinc/96/47/61/918964761.db2.gz IFTRSZGENRWGBA-VWLOTQADSA-N 1 0 411.505 4.200 20 30 HIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000510521038 918966672 /nfs/dbraw/zinc/96/66/72/918966672.db2.gz BRXJBUGJLCCBQV-RTBURBONSA-N 1 0 422.529 4.280 20 30 HIEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[NH+](C)C ZINC000510533948 918978387 /nfs/dbraw/zinc/97/83/87/918978387.db2.gz AYOFCJVLHRQTHF-HOYKHHGWSA-N 1 0 417.509 4.460 20 30 HIEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[NH+](C)C ZINC000510544516 918989478 /nfs/dbraw/zinc/98/94/78/918989478.db2.gz ISNGZACDLJLYNR-KOSHJBKYSA-N 1 0 414.509 4.475 20 30 HIEDRO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000510554518 918999592 /nfs/dbraw/zinc/99/95/92/918999592.db2.gz QXDIXQWBDWGOCM-UHFFFAOYSA-N 1 0 420.465 4.143 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCN(c3ccc4ccccc4n3)CC2)c(-c2ccccc2)n1 ZINC000510556214 919000360 /nfs/dbraw/zinc/00/03/60/919000360.db2.gz XWJIUMXEHAFWIO-UHFFFAOYSA-N 1 0 422.536 4.334 20 30 HIEDRO C=CC[N@H+](Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)Cc1ccc(OC)cc1 ZINC000510628904 919071146 /nfs/dbraw/zinc/07/11/46/919071146.db2.gz KAPLXYQUQCVLMI-UHFFFAOYSA-N 1 0 419.525 4.445 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000510703369 919141934 /nfs/dbraw/zinc/14/19/34/919141934.db2.gz RSFPFLSGDGIXOR-OAQYLSRUSA-N 1 0 422.529 4.314 20 30 HIEDRO C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000511048338 919638456 /nfs/dbraw/zinc/63/84/56/919638456.db2.gz OLYZJYTXASCETC-HRAATJIYSA-N 1 0 415.459 4.289 20 30 HIEDRO C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511282648 919877427 /nfs/dbraw/zinc/87/74/27/919877427.db2.gz AVHIYSHMFNEWSN-MJGOQNOKSA-N 1 0 407.514 4.113 20 30 HIEDRO C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511378916 919979281 /nfs/dbraw/zinc/97/92/81/919979281.db2.gz MZXFEFZZXCDMJZ-YLJYHZDGSA-N 1 0 404.514 4.128 20 30 HIEDRO C[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511423489 920038542 /nfs/dbraw/zinc/03/85/42/920038542.db2.gz NHNPLRSASPWGHV-USLGIFOWSA-N 1 0 424.589 4.200 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccc(F)cc1 ZINC000511620059 920276375 /nfs/dbraw/zinc/27/63/75/920276375.db2.gz IRERYMIOLGXCQK-KRWDZBQOSA-N 1 0 424.398 4.063 20 30 HIEDRO O=C(N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cc(F)c(F)c(F)c1F ZINC000511832663 920539682 /nfs/dbraw/zinc/53/96/82/920539682.db2.gz QOOWPOXUORODDS-GFCCVEGCSA-N 1 0 420.328 4.266 20 30 HIEDRO C=CCOc1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000511840664 920552273 /nfs/dbraw/zinc/55/22/73/920552273.db2.gz AGHOOKHUYPFMEG-IBGZPJMESA-N 1 0 404.432 4.275 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H](CCO)c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000512216982 920965668 /nfs/dbraw/zinc/96/56/68/920965668.db2.gz DCEJXOMDBSOESN-UXHICEINSA-N 1 0 418.324 4.074 20 30 HIEDRO COc1cc(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000512229480 920981053 /nfs/dbraw/zinc/98/10/53/920981053.db2.gz RYKWZERNWKNOOQ-WMZHIEFXSA-N 1 0 405.542 4.204 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCCN(c4ccccc4)C3=O)c2)c1 ZINC000512234878 920990633 /nfs/dbraw/zinc/99/06/33/920990633.db2.gz UPYRBUKKRUCUFQ-VWLOTQADSA-N 1 0 411.505 4.422 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]([C@H](C)c1ccccc1)C1CC1 ZINC000512292562 921047897 /nfs/dbraw/zinc/04/78/97/921047897.db2.gz HPSMZWGDZFKPOJ-LJQANCHMSA-N 1 0 408.546 4.177 20 30 HIEDRO COc1ccc(C[N@H+](C)C2CCN(Cc3ccccc3)CC2)cc1OCCCC#N ZINC000513509289 921856774 /nfs/dbraw/zinc/85/67/74/921856774.db2.gz QPYHDJXMFYLDOS-UHFFFAOYSA-N 1 0 407.558 4.474 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+][C@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)cc1 ZINC000513659304 921981563 /nfs/dbraw/zinc/98/15/63/921981563.db2.gz BHRIYFAPXYXVDH-VWLOTQADSA-N 1 0 410.521 4.497 20 30 HIEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000513790021 922118831 /nfs/dbraw/zinc/11/88/31/922118831.db2.gz QVBZDDRHZBKWAN-OAHLLOKOSA-N 1 0 403.935 4.393 20 30 HIEDRO CCC1(CNC(=O)[C@@H](C)Oc2ccccc2C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000514059293 922382474 /nfs/dbraw/zinc/38/24/74/922382474.db2.gz MEZGNTIOANFYDD-HXUWFJFHSA-N 1 0 405.542 4.134 20 30 HIEDRO C=CCc1cc(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cc(OC)c1OC ZINC000514217683 922552928 /nfs/dbraw/zinc/55/29/28/922552928.db2.gz FCNWSIJYQXLONB-JOCHJYFZSA-N 1 0 423.557 4.069 20 30 HIEDRO COc1ccccc1[C@@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)[NH+]1CCCC1 ZINC000515118342 922931259 /nfs/dbraw/zinc/93/12/59/922931259.db2.gz ZMABDQQDJICDLG-OAQYLSRUSA-N 1 0 406.530 4.455 20 30 HIEDRO CC1CC[NH+]([C@H](CNC(=O)CSCc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000515981515 923476482 /nfs/dbraw/zinc/47/64/82/923476482.db2.gz XUWJJVNBLXJDTB-HSZRJFAPSA-N 1 0 407.583 4.381 20 30 HIEDRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000517532150 924249869 /nfs/dbraw/zinc/24/98/69/924249869.db2.gz LHTKDZKFWPBJPP-INIZCTEOSA-N 1 0 404.580 4.092 20 30 HIEDRO N#Cc1ccc(Oc2ccc(C(=O)N3CC[NH+](CC4CCCCC4)CC3)cc2)nc1 ZINC000517656670 926763894 /nfs/dbraw/zinc/76/38/94/926763894.db2.gz PAFZJDNDNGHJRZ-UHFFFAOYSA-N 1 0 404.514 4.084 20 30 HIEDRO N#CCCSc1ccccc1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000518362716 927222363 /nfs/dbraw/zinc/22/23/63/927222363.db2.gz VNTSVIYIOFKFIT-UHFFFAOYSA-N 1 0 408.571 4.233 20 30 HIEDRO N#Cc1ccc(C[NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)c(C(F)(F)F)c1 ZINC000518623121 927384859 /nfs/dbraw/zinc/38/48/59/927384859.db2.gz UELSERPSEFHCIA-UHFFFAOYSA-N 1 0 413.399 4.390 20 30 HIEDRO COc1ccc(CC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cc1OC ZINC000518748010 927472817 /nfs/dbraw/zinc/47/28/17/927472817.db2.gz CJDPJPPAXRMWFY-UHFFFAOYSA-N 1 0 402.494 4.487 20 30 HIEDRO C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CCN(CCc2ccccn2)CC1 ZINC000518848685 927552193 /nfs/dbraw/zinc/55/21/93/927552193.db2.gz UGYRYDREWOUAKR-UHFFFAOYSA-N 1 0 402.464 4.111 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)ccc1OC ZINC000520227074 928400007 /nfs/dbraw/zinc/40/00/07/928400007.db2.gz CTVOGHDSJGHUTA-QGZVFWFLSA-N 1 0 400.906 4.199 20 30 HIEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)C2)CC1 ZINC000520340552 928502940 /nfs/dbraw/zinc/50/29/40/928502940.db2.gz OFALPDUQMRZQFY-NRFANRHFSA-N 1 0 418.541 4.330 20 30 HIEDRO CC[NH+](CC)[C@H](C(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccccc1 ZINC000520367043 928523156 /nfs/dbraw/zinc/52/31/56/928523156.db2.gz CKQWPPGYQHQONN-IWAAJCSBSA-N 1 0 405.542 4.448 20 30 HIEDRO C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000520649144 928699758 /nfs/dbraw/zinc/69/97/58/928699758.db2.gz XVKGVOKOBFSFBE-NRFGWYQLSA-N 1 0 413.443 4.371 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(C(=O)N(CCC)CCC)cc2)CC1 ZINC000520697043 928743590 /nfs/dbraw/zinc/74/35/90/928743590.db2.gz ZCUGOBOWDROIMC-UHFFFAOYSA-N 1 0 400.567 4.111 20 30 HIEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(Br)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000521093409 928989296 /nfs/dbraw/zinc/98/92/96/928989296.db2.gz GCSCJIJQDFPBLW-UHFFFAOYSA-N 1 0 418.291 4.374 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)CC1 ZINC000521573864 929305501 /nfs/dbraw/zinc/30/55/01/929305501.db2.gz VFJKRGGETFNBSA-UHFFFAOYSA-N 1 0 411.527 4.435 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000521593551 929315849 /nfs/dbraw/zinc/31/58/49/929315849.db2.gz JAYLYSUZKKSUEZ-UHFFFAOYSA-N 1 0 423.557 4.114 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(OCC(F)(F)F)cc3)C2)c(F)c1 ZINC000521862200 929512611 /nfs/dbraw/zinc/51/26/11/929512611.db2.gz SMTJIHFJPHDRAR-KRWDZBQOSA-N 1 0 407.411 4.397 20 30 HIEDRO C[N@H+](CCCNC(=O)c1cccc(COc2cccc(C#N)c2)c1)Cc1ccccc1 ZINC000524492968 929642033 /nfs/dbraw/zinc/64/20/33/929642033.db2.gz WRQUDALUIWECLT-UHFFFAOYSA-N 1 0 413.521 4.389 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCCCC[C@H]1CC(C)C ZINC000524908545 929883999 /nfs/dbraw/zinc/88/39/99/929883999.db2.gz YRTQXLCTWMTVJX-FQEVSTJZSA-N 1 0 402.583 4.242 20 30 HIEDRO CCC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000525409576 930223257 /nfs/dbraw/zinc/22/32/57/930223257.db2.gz DOJMYTDVCYVSJH-NRSPTQNISA-N 1 0 403.954 4.112 20 30 HIEDRO COCC[N@H+](CCCc1nc(-c2ccc(C)c(F)c2)no1)Cc1ccc(C#N)cc1 ZINC000530628099 930777717 /nfs/dbraw/zinc/77/77/17/930777717.db2.gz PYYGPRVQNRNIKU-UHFFFAOYSA-N 1 0 408.477 4.137 20 30 HIEDRO Cc1ccc(-c2noc(CCC[N@@H+]3CCCN(c4ccccc4C#N)CC3)n2)cc1F ZINC000530631927 930778726 /nfs/dbraw/zinc/77/87/26/930778726.db2.gz VQZGWJWOYSDHDO-UHFFFAOYSA-N 1 0 419.504 4.201 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2cccc(C#N)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000530670024 930793321 /nfs/dbraw/zinc/79/33/21/930793321.db2.gz YTZRZXYXYJZFHB-UGKGYDQZSA-N 1 0 415.459 4.319 20 30 HIEDRO N#C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000530877750 930847178 /nfs/dbraw/zinc/84/71/78/930847178.db2.gz RQPXANKSMKMHCD-HXUWFJFHSA-N 1 0 417.431 4.178 20 30 HIEDRO C=C(C)COc1cc(CNc2cccc(C[NH+]3CCC(CO)CC3)c2)ccc1OC ZINC000531017822 930886094 /nfs/dbraw/zinc/88/60/94/930886094.db2.gz KFUZLGXKNUAPFO-UHFFFAOYSA-N 1 0 410.558 4.467 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000531079500 930911308 /nfs/dbraw/zinc/91/13/08/930911308.db2.gz RMBMFWZRJQRBQX-FQEVSTJZSA-N 1 0 416.909 4.249 20 30 HIEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]([C@H](C)C2CC2)C2CC2)c1C#N ZINC000532489365 931458045 /nfs/dbraw/zinc/45/80/45/931458045.db2.gz GQBNBTUWKSZTRA-QGZVFWFLSA-N 1 0 408.521 4.365 20 30 HIEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000532690172 931585778 /nfs/dbraw/zinc/58/57/78/931585778.db2.gz HEUZOSKZSAJKSQ-NRFANRHFSA-N 1 0 409.533 4.437 20 30 HIEDRO CC[N@H+](Cc1ccc(OC)c(C#N)c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000532747074 931621075 /nfs/dbraw/zinc/62/10/75/931621075.db2.gz QPGVUCXBQPJNAW-UHFFFAOYSA-N 1 0 407.562 4.280 20 30 HIEDRO CN(CC(=O)NC[C@H](c1c[nH]c2ccccc21)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000532753262 931622264 /nfs/dbraw/zinc/62/22/64/931622264.db2.gz QDOWAVYSHXPURI-DEOSSOPVSA-N 1 0 422.532 4.420 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC(C[N@@H+](C)C(C)C)CC2)c1C#N ZINC000532949763 931709089 /nfs/dbraw/zinc/70/90/89/931709089.db2.gz GMWYRTPXMNMLEE-UHFFFAOYSA-N 1 0 413.610 4.082 20 30 HIEDRO COc1cc(C[N@H+](CCO)Cc2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC000533271638 931824816 /nfs/dbraw/zinc/82/48/16/931824816.db2.gz IVNDAMYAXPDTKF-UHFFFAOYSA-N 1 0 402.494 4.140 20 30 HIEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000533364961 931848938 /nfs/dbraw/zinc/84/89/38/931848938.db2.gz PCNSGZZPHUNBPK-WMZOPIPTSA-N 1 0 414.937 4.159 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000533374839 931852620 /nfs/dbraw/zinc/85/26/20/931852620.db2.gz CWRZMOFXANTETN-WTGUMLROSA-N 1 0 414.619 4.357 20 30 HIEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000533388187 931855708 /nfs/dbraw/zinc/85/57/08/931855708.db2.gz MOBHDGFRVASYBN-SFHVURJKSA-N 1 0 401.514 4.078 20 30 HIEDRO COc1ccc(C(=O)Nc2cccc(OCC[NH2+]Cc3ccc(C#N)cc3F)c2)cc1 ZINC000533446102 931871893 /nfs/dbraw/zinc/87/18/93/931871893.db2.gz CAFWDEWLKOEFRV-UHFFFAOYSA-N 1 0 419.456 4.127 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000533512504 931889876 /nfs/dbraw/zinc/88/98/76/931889876.db2.gz XTTHTRFITQSBTH-WTGUMLROSA-N 1 0 414.619 4.214 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](c2ncccc2C)C(C)C)c1C#N ZINC000533518681 931892371 /nfs/dbraw/zinc/89/23/71/931892371.db2.gz UCWVYAANEDBGBQ-JOCHJYFZSA-N 1 0 419.529 4.247 20 30 HIEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000533531153 931895296 /nfs/dbraw/zinc/89/52/96/931895296.db2.gz PFAGRVUDYJZJNE-HNNXBMFYSA-N 1 0 424.372 4.233 20 30 HIEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)CC1 ZINC000533944634 932116928 /nfs/dbraw/zinc/11/69/28/932116928.db2.gz IBVKHYBJLGECCL-UHFFFAOYSA-N 1 0 417.340 4.384 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)sc2c1CCCC2 ZINC000534356498 932391231 /nfs/dbraw/zinc/39/12/31/932391231.db2.gz GLQFCGJZJCRTKD-OAQYLSRUSA-N 1 0 423.582 4.100 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)Cc1ccccc1 ZINC000534524852 932546125 /nfs/dbraw/zinc/54/61/25/932546125.db2.gz FJLIXWMNGUFRJX-DEOSSOPVSA-N 1 0 413.521 4.040 20 30 HIEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CC(=O)Nc1sc(C)c(C)c1C#N ZINC000534537607 932550655 /nfs/dbraw/zinc/55/06/55/932550655.db2.gz KMCIHJMDIFEJSY-LJQANCHMSA-N 1 0 406.939 4.061 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC=C(C(F)(F)F)CC2)c1C#N ZINC000534543842 932554427 /nfs/dbraw/zinc/55/44/27/932554427.db2.gz BOMQFCOPTDLVBV-UHFFFAOYSA-N 1 0 420.435 4.141 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3(c4ccc(Br)cc4)CC3)C2=O)cc1 ZINC000562619922 945108974 /nfs/dbraw/zinc/10/89/74/945108974.db2.gz RNTONOOKYPPFIO-IBGZPJMESA-N 1 0 410.315 4.095 20 30 HIEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CSc2ccc(C#N)cc2Cl)CC1 ZINC000562764477 945119041 /nfs/dbraw/zinc/11/90/41/945119041.db2.gz JZSYQRYETDLEFF-UHFFFAOYSA-N 1 0 413.974 4.393 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2C2CCOCC2)sc2c1CCCCC2 ZINC000537527761 938316377 /nfs/dbraw/zinc/31/63/77/938316377.db2.gz OPXTVLDPXPCRFZ-IBGZPJMESA-N 1 0 401.576 4.108 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@]2(C)CCCc3ccccc32)c1C#N ZINC000537596300 938331237 /nfs/dbraw/zinc/33/12/37/938331237.db2.gz HUWUWOKOIDOTNN-VWLOTQADSA-N 1 0 416.525 4.398 20 30 HIEDRO C[N@H+](Cc1cccc(OCCCC#N)c1)[C@H](CO)c1cccc(Br)c1 ZINC000537621483 938336729 /nfs/dbraw/zinc/33/67/29/938336729.db2.gz SNHQVRHCDBCEOT-HXUWFJFHSA-N 1 0 403.320 4.297 20 30 HIEDRO CN(Cc1cn(CCC#N)nc1-c1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537628132 938338854 /nfs/dbraw/zinc/33/88/54/938338854.db2.gz LKHRQRNCOXMIFV-QHCPKHFHSA-N 1 0 413.569 4.418 20 30 HIEDRO COc1ccc(C[N@H+](CC(=O)NCc2cccc(C#N)c2)C2CCCCC2)cc1OC ZINC000537686699 938354396 /nfs/dbraw/zinc/35/43/96/938354396.db2.gz MFFRMUUGIFAOHK-UHFFFAOYSA-N 1 0 421.541 4.027 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1cccs1 ZINC000538079074 938497308 /nfs/dbraw/zinc/49/73/08/938497308.db2.gz YZHKXONOYUZKTD-NRFANRHFSA-N 1 0 404.539 4.389 20 30 HIEDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)cc2)ccc1OCc1ccccc1 ZINC000538151142 938522750 /nfs/dbraw/zinc/52/27/50/938522750.db2.gz JRUQJXNAHHQZRS-GOSISDBHSA-N 1 0 415.493 4.435 20 30 HIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(OCC(F)(F)F)cc2)c(C#N)c1C ZINC000538161211 938529966 /nfs/dbraw/zinc/52/99/66/938529966.db2.gz KXYVRXUTODEONV-CHWSQXEVSA-N 1 0 409.408 4.387 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](CC)c1ccc2c(c1)OCCO2 ZINC000538176516 938538422 /nfs/dbraw/zinc/53/84/22/938538422.db2.gz TWESIHHFWBYJPA-QFBILLFUSA-N 1 0 400.544 4.163 20 30 HIEDRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000538178093 938539422 /nfs/dbraw/zinc/53/94/22/938539422.db2.gz QPTRUADUUNHZNS-HSZRJFAPSA-N 1 0 403.457 4.218 20 30 HIEDRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000538181395 938541188 /nfs/dbraw/zinc/54/11/88/938541188.db2.gz XSVFLVYXGYNVPW-JOCHJYFZSA-N 1 0 421.472 4.428 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000538191351 938546445 /nfs/dbraw/zinc/54/64/45/938546445.db2.gz SPBNQOXIUUBZJJ-FHJLPGHOSA-N 1 0 409.555 4.387 20 30 HIEDRO C=CCC[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000538231886 938566531 /nfs/dbraw/zinc/56/65/31/938566531.db2.gz YMINANAEWJFUJZ-HXUWFJFHSA-N 1 0 401.432 4.490 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)c1C#N ZINC000538276117 938581148 /nfs/dbraw/zinc/58/11/48/938581148.db2.gz GPVURPRRCUNDAY-OAQYLSRUSA-N 1 0 410.566 4.141 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1ccc(C#N)cc1 ZINC000538395187 938609981 /nfs/dbraw/zinc/60/99/81/938609981.db2.gz GBUXWIMLNKGJIT-HNNXBMFYSA-N 1 0 400.320 4.020 20 30 HIEDRO C[C@@H](c1ccccc1)N1CCC([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000538394584 938610170 /nfs/dbraw/zinc/61/01/70/938610170.db2.gz GNLLCFYQWNTKMB-NRFANRHFSA-N 1 0 402.586 4.338 20 30 HIEDRO Cc1ccc(-c2nc(CC[NH2+]C3CCN(Cc4ccc(C#N)cc4)CC3)co2)cc1 ZINC000538395617 938610516 /nfs/dbraw/zinc/61/05/16/938610516.db2.gz QUIRUTKWBKBIDR-UHFFFAOYSA-N 1 0 400.526 4.318 20 30 HIEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000538398396 938611366 /nfs/dbraw/zinc/61/13/66/938611366.db2.gz ORKKWTMAGBXNGT-GOSISDBHSA-N 1 0 417.557 4.157 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000538407493 938613373 /nfs/dbraw/zinc/61/33/73/938613373.db2.gz CRCJTUOBCONDCU-UHFFFAOYSA-N 1 0 421.932 4.058 20 30 HIEDRO C[N@H+](Cc1cccc(C#N)c1)[C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000538467415 938628748 /nfs/dbraw/zinc/62/87/48/938628748.db2.gz FFTRWPFSVDJCES-FQEVSTJZSA-N 1 0 401.432 4.200 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cccc(COCc4ccco4)c3)C2=O)cc1 ZINC000538706641 938687115 /nfs/dbraw/zinc/68/71/15/938687115.db2.gz IMGOEZOEKGHOCW-DEOSSOPVSA-N 1 0 415.493 4.153 20 30 HIEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)c(-c2ccccc2)n1 ZINC000538760686 938704206 /nfs/dbraw/zinc/70/42/06/938704206.db2.gz FETDWSDQMHXYHA-LJQANCHMSA-N 1 0 402.502 4.104 20 30 HIEDRO N#Cc1ccc(CC(=O)Nc2cccc(N3CC[NH+](CCc4ccccc4)CC3)c2)cc1 ZINC000538922140 938738301 /nfs/dbraw/zinc/73/83/01/938738301.db2.gz KOFCDZCYDIPOGQ-UHFFFAOYSA-N 1 0 424.548 4.104 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](Cc2ccccc2)[C@H](C)CCO)c1C#N ZINC000538953174 938747539 /nfs/dbraw/zinc/74/75/39/938747539.db2.gz BUAVKHCMLBZSQK-GOSISDBHSA-N 1 0 422.573 4.303 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(OCc2ccccn2)c1 ZINC000539255022 938827522 /nfs/dbraw/zinc/82/75/22/938827522.db2.gz HXNGMOHSOHGRJB-SFHVURJKSA-N 1 0 400.482 4.212 20 30 HIEDRO COc1cc([C@@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)ccc1OCC(C)C ZINC000539269186 938830641 /nfs/dbraw/zinc/83/06/41/938830641.db2.gz ATIPITPPVHXCEB-GOSISDBHSA-N 1 0 401.551 4.065 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000539302546 938837058 /nfs/dbraw/zinc/83/70/58/938837058.db2.gz BHIWVHWRRLXLDM-NRFANRHFSA-N 1 0 418.541 4.281 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000539304968 938837635 /nfs/dbraw/zinc/83/76/35/938837635.db2.gz DQTQAXUWIVKGHW-GOSISDBHSA-N 1 0 409.505 4.398 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000539339274 938844608 /nfs/dbraw/zinc/84/46/08/938844608.db2.gz PNFSKRQAPATFIC-RTWAWAEBSA-N 1 0 415.541 4.475 20 30 HIEDRO Cc1ccc(S(=O)(=O)NC[C@@H]([NH2+]CCCC(C)(C)C#N)c2ccccc2)c(C)c1 ZINC000539356760 938847641 /nfs/dbraw/zinc/84/76/41/938847641.db2.gz LEPYNOVBZFGUPK-OAQYLSRUSA-N 1 0 413.587 4.243 20 30 HIEDRO CC[C@H]1Oc2cc([C@H](C)[NH2+]CC#Cc3ccc(OC(F)(F)F)cc3)ccc2NC1=O ZINC000539359169 938848245 /nfs/dbraw/zinc/84/82/45/938848245.db2.gz FAKIPEYKBIROJX-IFXJQAMLSA-N 1 0 418.415 4.397 20 30 HIEDRO CC(C)[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000539498796 938869229 /nfs/dbraw/zinc/86/92/29/938869229.db2.gz YQFFVXIVRUCUMP-VWLOTQADSA-N 1 0 405.542 4.281 20 30 HIEDRO COc1ccc(C[C@@H](C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000539508195 938870332 /nfs/dbraw/zinc/87/03/32/938870332.db2.gz UWACEPLQAYYPEG-LJQANCHMSA-N 1 0 407.558 4.008 20 30 HIEDRO C[C@H](CC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)cc1 ZINC000539683801 938900657 /nfs/dbraw/zinc/90/06/57/938900657.db2.gz ABJLQYRVUBCAAZ-QGZVFWFLSA-N 1 0 411.933 4.011 20 30 HIEDRO N#CCCN(C(=O)C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21)c1cccc(Cl)c1 ZINC000539882142 938965167 /nfs/dbraw/zinc/96/51/67/938965167.db2.gz LKRXHYUPAUVMPA-FQEVSTJZSA-N 1 0 421.932 4.101 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000563639367 945229190 /nfs/dbraw/zinc/22/91/90/945229190.db2.gz AGSSANUHWQAJFM-SFHVURJKSA-N 1 0 416.997 4.199 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000540320593 939193530 /nfs/dbraw/zinc/19/35/30/939193530.db2.gz DUWIPAHPZDUVOV-JKSUJKDBSA-N 1 0 417.456 4.283 20 30 HIEDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)ccc1OC(C)C ZINC000540353782 939204973 /nfs/dbraw/zinc/20/49/73/939204973.db2.gz IHQCOZQXOULYSS-CQSZACIVSA-N 1 0 401.532 4.322 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(-n2cccn2)cc1 ZINC000540437388 939249330 /nfs/dbraw/zinc/24/93/30/939249330.db2.gz JVGOUOJJZLJTSU-INIZCTEOSA-N 1 0 419.554 4.364 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(-n2cccn2)cc1 ZINC000540437389 939249511 /nfs/dbraw/zinc/24/95/11/939249511.db2.gz JVGOUOJJZLJTSU-MRXNPFEDSA-N 1 0 419.554 4.364 20 30 HIEDRO COc1ccccc1[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccn1 ZINC000540609240 939318706 /nfs/dbraw/zinc/31/87/06/939318706.db2.gz ZAJZEZHYHOEIAD-AREMUKBSSA-N 1 0 412.537 4.305 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(C#N)c(F)c1 ZINC000540707710 939344922 /nfs/dbraw/zinc/34/49/22/939344922.db2.gz MXGFDKRHOTUTLX-XIKOKIGWSA-N 1 0 407.367 4.052 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(C#N)c(F)c1 ZINC000540707705 939345062 /nfs/dbraw/zinc/34/50/62/939345062.db2.gz MXGFDKRHOTUTLX-KZULUSFZSA-N 1 0 407.367 4.052 20 30 HIEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000540741294 939355029 /nfs/dbraw/zinc/35/50/29/939355029.db2.gz HTHOAWJPZKALQY-UWJYYQICSA-N 1 0 411.908 4.457 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000541024835 939433488 /nfs/dbraw/zinc/43/34/88/939433488.db2.gz SFCSCGOQFKZTOW-MSOLQXFVSA-N 1 0 408.571 4.496 20 30 HIEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541085623 939454701 /nfs/dbraw/zinc/45/47/01/939454701.db2.gz KZBSSGWKTWWLFF-GOSISDBHSA-N 1 0 415.518 4.221 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000541104121 939461361 /nfs/dbraw/zinc/46/13/61/939461361.db2.gz XFYWYCXYYDQSBL-PKOBYXMFSA-N 1 0 424.524 4.001 20 30 HIEDRO CCN(CC)C(=O)CCC1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000541111231 939464091 /nfs/dbraw/zinc/46/40/91/939464091.db2.gz CALGPRQOXYZLML-UHFFFAOYSA-N 1 0 410.480 4.297 20 30 HIEDRO C[C@H](NC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541158575 939480818 /nfs/dbraw/zinc/48/08/18/939480818.db2.gz HTNFBMWOHUBGGO-GLYQVZKVSA-N 1 0 402.542 4.412 20 30 HIEDRO C[C@H](NC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541158577 939480840 /nfs/dbraw/zinc/48/08/40/939480840.db2.gz HTNFBMWOHUBGGO-NWVWQQAFSA-N 1 0 402.542 4.412 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1cccc(S(N)(=O)=O)c1 ZINC000541176230 939484359 /nfs/dbraw/zinc/48/43/59/939484359.db2.gz ZMYHOBNNOKIGSP-DLBZAZTESA-N 1 0 405.523 4.284 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2cccc(OC)c2)cc1 ZINC000541320584 939490780 /nfs/dbraw/zinc/49/07/80/939490780.db2.gz ZNBIYADCRPJBIC-DVECYGJZSA-N 1 0 421.541 4.424 20 30 HIEDRO COc1cc(C[NH2+][C@@H](CC(N)=O)C2CCCCC2)ccc1OCc1cccc(C#N)c1 ZINC000541636804 939579601 /nfs/dbraw/zinc/57/96/01/939579601.db2.gz FIXJNEMGLPVLKD-QFIPXVFZSA-N 1 0 421.541 4.060 20 30 HIEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000541660042 939592352 /nfs/dbraw/zinc/59/23/52/939592352.db2.gz GIQFJJPYQAFICD-MRXNPFEDSA-N 1 0 404.539 4.266 20 30 HIEDRO C=CCC[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000541967337 939664779 /nfs/dbraw/zinc/66/47/79/939664779.db2.gz UQLPGYMILWEDQG-BJKOFHAPSA-N 1 0 407.558 4.150 20 30 HIEDRO CC1CC[NH+](CCCCNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 ZINC000542034379 939694132 /nfs/dbraw/zinc/69/41/32/939694132.db2.gz ZSUBURUXTODSBM-UHFFFAOYSA-N 1 0 414.941 4.031 20 30 HIEDRO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542257672 939774939 /nfs/dbraw/zinc/77/49/39/939774939.db2.gz RYTSAVNYYSUQCF-HTAPYJJXSA-N 1 0 417.465 4.224 20 30 HIEDRO C=CCOc1ccccc1CN(C(=O)C[NH2+]C1(C2CC2)CC1)c1ccc2c(c1)OCO2 ZINC000542521910 939836884 /nfs/dbraw/zinc/83/68/84/939836884.db2.gz QNTQSLUSRIFKEN-UHFFFAOYSA-N 1 0 420.509 4.046 20 30 HIEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(c1ccccc1)c1ccccc1 ZINC000542554834 939842720 /nfs/dbraw/zinc/84/27/20/939842720.db2.gz FIQIGIUDXNLXLL-IBGZPJMESA-N 1 0 404.535 4.142 20 30 HIEDRO CCN(CC)C(=O)Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000542830722 939861717 /nfs/dbraw/zinc/86/17/17/939861717.db2.gz NBKCYACPAQJUSR-UHFFFAOYSA-N 1 0 404.558 4.046 20 30 HIEDRO COc1cccc(COC[C@@H](O)C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000542944683 939883374 /nfs/dbraw/zinc/88/33/74/939883374.db2.gz DFQDUDCIULPWNF-CLOONOSVSA-N 1 0 416.521 4.462 20 30 HIEDRO C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@H](CCC#N)c1ccccc1 ZINC000543074160 939926359 /nfs/dbraw/zinc/92/63/59/939926359.db2.gz MBCDAALDPNKOHF-VGOFRKELSA-N 1 0 404.514 4.387 20 30 HIEDRO Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000543599183 940126172 /nfs/dbraw/zinc/12/61/72/940126172.db2.gz OGAGRPOLRBMEGB-KMFTYDHNSA-N 1 0 412.555 4.009 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)N1CC(=O)Nc2ccccc21 ZINC000543863211 940215059 /nfs/dbraw/zinc/21/50/59/940215059.db2.gz ONTZDYPLKJTYAO-ZWKOTPCHSA-N 1 0 424.504 4.250 20 30 HIEDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543872560 940219619 /nfs/dbraw/zinc/21/96/19/940219619.db2.gz CAUQQSAYSNDFBP-GOSISDBHSA-N 1 0 419.550 4.326 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1nnc(-c2ccco2)o1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543873405 940220066 /nfs/dbraw/zinc/22/00/66/940220066.db2.gz PSHBSSLMPIJDBQ-HNNXBMFYSA-N 1 0 413.437 4.158 20 30 HIEDRO COCc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543876115 940220901 /nfs/dbraw/zinc/22/09/01/940220901.db2.gz ZJSWDHCXLJGDQC-IBGZPJMESA-N 1 0 413.521 4.339 20 30 HIEDRO C[N@@H+]1CC[C@H](C(=O)N[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C(F)(F)F)C1 ZINC000544025331 940302880 /nfs/dbraw/zinc/30/28/80/940302880.db2.gz KKSKGZQYMAASJT-QPUJVOFHSA-N 1 0 422.291 4.396 20 30 HIEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC000544419917 940419724 /nfs/dbraw/zinc/41/97/24/940419724.db2.gz PREZGGNAKSSHGP-AZUAARDMSA-N 1 0 420.479 4.367 20 30 HIEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)NC1(C#N)CCCCC1 ZINC000544478630 940449794 /nfs/dbraw/zinc/44/97/94/940449794.db2.gz CYFDGNHWZCCITG-AWEZNQCLSA-N 1 0 400.523 4.251 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)c1C#N ZINC000544548515 940477140 /nfs/dbraw/zinc/47/71/40/940477140.db2.gz BQRDZZDEOPGLGK-IBGZPJMESA-N 1 0 412.578 4.311 20 30 HIEDRO CS[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C[C@H]1[NH+]1CCCC1 ZINC000545332457 940562227 /nfs/dbraw/zinc/56/22/27/940562227.db2.gz NIODXPAEIGBTSL-FGZHOGPDSA-N 1 0 407.539 4.002 20 30 HIEDRO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000545385875 940567694 /nfs/dbraw/zinc/56/76/94/940567694.db2.gz WQFAAVFIBGRPGR-KRWDZBQOSA-N 1 0 411.933 4.011 20 30 HIEDRO Cc1ccccc1C([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1C ZINC000546225765 940735072 /nfs/dbraw/zinc/73/50/72/940735072.db2.gz PJFXDMWARQSJJN-UHFFFAOYSA-N 1 0 404.535 4.328 20 30 HIEDRO C=CCNC(=O)c1cccc(-c2noc([C@@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)n2)c1 ZINC000546362708 940801849 /nfs/dbraw/zinc/80/18/49/940801849.db2.gz IXJMPSMEZFHAKJ-HXUWFJFHSA-N 1 0 420.488 4.171 20 30 HIEDRO COc1ccc(OC2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)cc1 ZINC000548773278 941123244 /nfs/dbraw/zinc/12/32/44/941123244.db2.gz KSDYCPSSEUVHHS-UHFFFAOYSA-N 1 0 402.498 4.011 20 30 HIEDRO N#CC1(c2ccccn2)CC[NH+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000548860024 941126948 /nfs/dbraw/zinc/12/69/48/941126948.db2.gz ACHSZRXDFGKZKA-UHFFFAOYSA-N 1 0 420.520 4.387 20 30 HIEDRO C=C(C)Cn1c(C2CCCC2)nnc1N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000549326467 941180201 /nfs/dbraw/zinc/18/02/01/941180201.db2.gz PNYNZQZDMKGROM-BGYRXZFFSA-N 1 0 415.626 4.228 20 30 HIEDRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(-c2cnn(C)c2)c1 ZINC000549401758 941186470 /nfs/dbraw/zinc/18/64/70/941186470.db2.gz YFGBXTJIKSDVRD-UHFFFAOYSA-N 1 0 413.525 4.118 20 30 HIEDRO CCN1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549468466 941192914 /nfs/dbraw/zinc/19/29/14/941192914.db2.gz LGRYPXOEFYMLAD-PUCZYUMASA-N 1 0 414.912 4.103 20 30 HIEDRO CCN1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549468467 941192978 /nfs/dbraw/zinc/19/29/78/941192978.db2.gz LGRYPXOEFYMLAD-SZFUDVHCSA-N 1 0 414.912 4.103 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000549689295 941204630 /nfs/dbraw/zinc/20/46/30/941204630.db2.gz ZOVPCEGIMUOPJL-QFIPXVFZSA-N 1 0 423.605 4.362 20 30 HIEDRO C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000549690430 941204667 /nfs/dbraw/zinc/20/46/67/941204667.db2.gz CEGJKDINDDJJTO-UHFFFAOYSA-N 1 0 411.594 4.010 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c(-c2ccncc2)n1 ZINC000549825447 941208717 /nfs/dbraw/zinc/20/87/17/941208717.db2.gz QYXUADUJSDBZTF-GOSISDBHSA-N 1 0 403.452 4.413 20 30 HIEDRO C=CCc1cc(C[NH2+][C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)cc(OC)c1O ZINC000549861619 941219258 /nfs/dbraw/zinc/21/92/58/941219258.db2.gz XIBXSWNCSLNRBV-IIBYNOLFSA-N 1 0 412.505 4.110 20 30 HIEDRO N#Cc1cccc(C2([NH2+]CC(=O)N[C@@H](c3cccs3)c3ccc(F)cc3)CC2)c1 ZINC000551714277 941531358 /nfs/dbraw/zinc/53/13/58/941531358.db2.gz WJGLQHHLCJRIBW-JOCHJYFZSA-N 1 0 405.498 4.243 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCC[C@H]3Oc3cc(F)cc(F)c3)CC2)cc1 ZINC000552089647 941583046 /nfs/dbraw/zinc/58/30/46/941583046.db2.gz QOHZLCCNIOEOBU-BJKOFHAPSA-N 1 0 411.496 4.391 20 30 HIEDRO COc1ccccc1CC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000552197154 941600174 /nfs/dbraw/zinc/60/01/74/941600174.db2.gz CVJPQNPGQSYVAH-MRXNPFEDSA-N 1 0 411.571 4.256 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc2F)c1 ZINC000552304849 941628007 /nfs/dbraw/zinc/62/80/07/941628007.db2.gz FIZVQEXNHHTDEE-NRFANRHFSA-N 1 0 422.504 4.368 20 30 HIEDRO C=CCc1cc(C[N@H+](C)[C@@H](CO)c2cccc(Br)c2)cc(OC)c1O ZINC000552305243 941628570 /nfs/dbraw/zinc/62/85/70/941628570.db2.gz CGTARALWIPTMGF-SFHVURJKSA-N 1 0 406.320 4.057 20 30 HIEDRO CN(C(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000552364301 941645516 /nfs/dbraw/zinc/64/55/16/941645516.db2.gz FJEDCUVODBVSGD-UHFFFAOYSA-N 1 0 409.505 4.113 20 30 HIEDRO C[NH+](C)CCCCC(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1 ZINC000552549585 941704433 /nfs/dbraw/zinc/70/44/33/941704433.db2.gz PCNOVXODYAHBSN-UHFFFAOYSA-N 1 0 410.465 4.295 20 30 HIEDRO N#CCC[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br)c1ccccc1 ZINC000553386034 941877625 /nfs/dbraw/zinc/87/76/25/941877625.db2.gz NEDAQLRKXRQZJO-AEFFLSMTSA-N 1 0 423.738 4.477 20 30 HIEDRO C=CCN(CCc1ccccc1)CC(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000553496313 941896187 /nfs/dbraw/zinc/89/61/87/941896187.db2.gz WALVGFYQTXHRRV-UHFFFAOYSA-N 1 0 400.906 4.171 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)c2ccc(-c3ccccc3)cc2)CC1 ZINC000553672311 941941805 /nfs/dbraw/zinc/94/18/05/941941805.db2.gz PZEBEGJNEHUEIG-FQEVSTJZSA-N 1 0 419.569 4.030 20 30 HIEDRO C[C@@H](C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H](C)CO)c1ccccc1 ZINC000553935955 942002487 /nfs/dbraw/zinc/00/24/87/942002487.db2.gz NMEDTJOBRKGNBC-OALUTQOASA-N 1 0 413.949 4.073 20 30 HIEDRO C=CCOc1ccc(CNC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000554247007 942076985 /nfs/dbraw/zinc/07/69/85/942076985.db2.gz IPQZBQKRTBNOTD-UHFFFAOYSA-N 1 0 407.558 4.305 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCCC(=O)OC(C)(C)C)sc2C1 ZINC000554889608 942310030 /nfs/dbraw/zinc/31/00/30/942310030.db2.gz XTROVZCIHFKYNK-HNNXBMFYSA-N 1 0 419.591 4.127 20 30 HIEDRO Cc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c(-c2cnn(C)c2)c1 ZINC000554919760 942319683 /nfs/dbraw/zinc/31/96/83/942319683.db2.gz XHAYPQWPOHPKAX-UHFFFAOYSA-N 1 0 401.514 4.142 20 30 HIEDRO CCN1CC[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000555126011 942392887 /nfs/dbraw/zinc/39/28/87/942392887.db2.gz PNLKSMJHPPWRGA-HIFRSBDPSA-N 1 0 420.344 4.043 20 30 HIEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000555263405 942452593 /nfs/dbraw/zinc/45/25/93/942452593.db2.gz AULOAIBOXYYJGB-FDDCHVKYSA-N 1 0 416.573 4.456 20 30 HIEDRO C=CCc1cc(C[NH2+][C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)cc(OC)c1O ZINC000555627823 942679905 /nfs/dbraw/zinc/67/99/05/942679905.db2.gz YDXYQTVNQYBKAB-IERDGZPVSA-N 1 0 412.505 4.110 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCc4sc(Br)cc43)C2=O)cc1 ZINC000556169595 942813537 /nfs/dbraw/zinc/81/35/37/942813537.db2.gz BSANNDHHWJEHLU-HOTGVXAUSA-N 1 0 416.344 4.155 20 30 HIEDRO N#Cc1cccc(F)c1CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000557033238 942999523 /nfs/dbraw/zinc/99/95/23/942999523.db2.gz INWFIEGAXGJTSE-UKILVPOCSA-N 1 0 413.496 4.024 20 30 HIEDRO C[NH+](C)Cc1ccccc1CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000557409675 943110095 /nfs/dbraw/zinc/11/00/95/943110095.db2.gz HYUHXMWEGMYHSU-UHFFFAOYSA-N 1 0 424.976 4.196 20 30 HIEDRO COc1cc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000558131486 943389777 /nfs/dbraw/zinc/38/97/77/943389777.db2.gz BZMWGGDTRRLBJW-XXBNENTESA-N 1 0 405.542 4.204 20 30 HIEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000558286264 943483646 /nfs/dbraw/zinc/48/36/46/943483646.db2.gz GKFUWDVVHDSERQ-DVECYGJZSA-N 1 0 418.541 4.422 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(C#N)c(F)c1 ZINC000558501253 943578035 /nfs/dbraw/zinc/57/80/35/943578035.db2.gz JVLPIWCCMILMFD-UHFFFAOYSA-N 1 0 408.399 4.312 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)c1ccc(C#N)cc1 ZINC000558740666 943636547 /nfs/dbraw/zinc/63/65/47/943636547.db2.gz DDVBHFXFZPHESV-KRWDZBQOSA-N 1 0 401.514 4.331 20 30 HIEDRO Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(C[N@H+]4CCCC[C@@H]4C)cc3)CC2)o1 ZINC000558977747 943780400 /nfs/dbraw/zinc/78/04/00/943780400.db2.gz FERQEQSMUDVAFC-KRWDZBQOSA-N 1 0 421.545 4.084 20 30 HIEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[NH+](Cc2ccc(CC)s2)CC1 ZINC000559004085 943799775 /nfs/dbraw/zinc/79/97/75/943799775.db2.gz REHNPFBURUOFJA-UHFFFAOYSA-N 1 0 422.602 4.171 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000559028282 943810072 /nfs/dbraw/zinc/81/00/72/943810072.db2.gz SMCFZLWMYXRMDY-JOCHJYFZSA-N 1 0 418.589 4.485 20 30 HIEDRO N#Cc1csc(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)c1 ZINC000559312132 943894348 /nfs/dbraw/zinc/89/43/48/943894348.db2.gz CWHRSGIYLWXHIO-UHFFFAOYSA-N 1 0 409.324 4.403 20 30 HIEDRO N#Cc1cc(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cnc1C(F)(F)F ZINC000559332587 943897671 /nfs/dbraw/zinc/89/76/71/943897671.db2.gz ZTYXNPCXQCLHBU-UHFFFAOYSA-N 1 0 416.447 4.278 20 30 HIEDRO C=C(C)CN(Cc1ccccc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000560082865 944152389 /nfs/dbraw/zinc/15/23/89/944152389.db2.gz VKYPEMSDAIKTDW-UHFFFAOYSA-N 1 0 407.558 4.448 20 30 HIEDRO Cc1cc(Br)cn2cc(C[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)nc12 ZINC000560547892 944249882 /nfs/dbraw/zinc/24/98/82/944249882.db2.gz GYRDLVJFCPEZOV-UHFFFAOYSA-N 1 0 424.346 4.036 20 30 HIEDRO N#Cc1ncn(CC[NH2+][C@@H](Cc2cccc(F)c2)c2ccc(Cl)c(Cl)c2)n1 ZINC000560581537 944263263 /nfs/dbraw/zinc/26/32/63/944263263.db2.gz VBJWEOJXYBSNPE-SFHVURJKSA-N 1 0 404.276 4.169 20 30 HIEDRO Cc1oc(NC(=O)C[NH2+][C@H](C)c2ccc(OCc3cccnc3)cc2)c(C#N)c1C ZINC000561089024 944441110 /nfs/dbraw/zinc/44/11/10/944441110.db2.gz FBWXQMXCQBHOHD-MRXNPFEDSA-N 1 0 404.470 4.031 20 30 HIEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2ccccc2F)cc1 ZINC000561160558 944489095 /nfs/dbraw/zinc/48/90/95/944489095.db2.gz IONKOOFFFZMGAV-SQJMNOBHSA-N 1 0 404.485 4.205 20 30 HIEDRO C[C@H](CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[NH+]1CCCCC1 ZINC000561250015 944527413 /nfs/dbraw/zinc/52/74/13/944527413.db2.gz JKIHGCXIPFYNAM-GOSISDBHSA-N 1 0 416.997 4.199 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)ccc1OC ZINC000561758270 944782329 /nfs/dbraw/zinc/78/23/29/944782329.db2.gz XDRXSQQUXCQZFI-QGZVFWFLSA-N 1 0 414.468 4.073 20 30 HIEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)Cc1ccc(C)cc1 ZINC000561810753 944806977 /nfs/dbraw/zinc/80/69/77/944806977.db2.gz KYJOVQJEZBBIDU-UHFFFAOYSA-N 1 0 404.514 4.387 20 30 HIEDRO COc1ccc(Cn2nc(C)c(C[N@H+](C)CCOCc3ccc(C#N)cc3)c2C)cc1 ZINC000561982068 944885192 /nfs/dbraw/zinc/88/51/92/944885192.db2.gz JLYNOYQRUUIHPE-UHFFFAOYSA-N 1 0 418.541 4.077 20 30 HIEDRO N#Cc1ccc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)c(C(F)(F)F)c1 ZINC000562078551 944926802 /nfs/dbraw/zinc/92/68/02/944926802.db2.gz LWXVUQZEZOYWIT-UHFFFAOYSA-N 1 0 413.193 4.358 20 30 HIEDRO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000562109031 944944645 /nfs/dbraw/zinc/94/46/45/944944645.db2.gz MYNVYPMIMIUQBH-UHFFFAOYSA-N 1 0 407.518 4.475 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)c1 ZINC000564395089 945552828 /nfs/dbraw/zinc/55/28/28/945552828.db2.gz IOYPUNJLFHSYPE-UPVQGACJSA-N 1 0 424.976 4.239 20 30 HIEDRO CC(C)Oc1ccc([C@@H](C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)N(C)C)cc1 ZINC000564436737 945585266 /nfs/dbraw/zinc/58/52/66/945585266.db2.gz ZAIFTVWRZCDGBN-RUZDIDTESA-N 1 0 406.574 4.207 20 30 HIEDRO N#Cc1ccc2c(c1)[C@H]([NH2+]C1CCN(C(=O)c3ccccc3C(F)(F)F)CC1)CC2 ZINC000564496579 945625406 /nfs/dbraw/zinc/62/54/06/945625406.db2.gz KMODMRZPSCPLPF-OAQYLSRUSA-N 1 0 413.443 4.459 20 30 HIEDRO C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000565333297 945813692 /nfs/dbraw/zinc/81/36/92/945813692.db2.gz XPTZCVDMUCHWHP-IBGZPJMESA-N 1 0 420.586 4.236 20 30 HIEDRO C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000565333307 945813708 /nfs/dbraw/zinc/81/37/08/945813708.db2.gz XPTZCVDMUCHWHP-LJQANCHMSA-N 1 0 420.586 4.236 20 30 HIEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000565615923 945855452 /nfs/dbraw/zinc/85/54/52/945855452.db2.gz ZXOHDZGDWLVJQO-SBUREZEXSA-N 1 0 411.571 4.317 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)F)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000566381571 946015035 /nfs/dbraw/zinc/01/50/35/946015035.db2.gz LUPFQWVCMRRDQN-NWDGAFQWSA-N 1 0 405.470 4.388 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(C#N)cc3C(F)(F)F)CC2)nc1 ZINC000567003195 946212588 /nfs/dbraw/zinc/21/25/88/946212588.db2.gz VZMCPBYXNRJOIK-UHFFFAOYSA-N 1 0 400.404 4.324 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc(-n3cccn3)c(F)c2)c1 ZINC000567183276 946262908 /nfs/dbraw/zinc/26/29/08/946262908.db2.gz MOYXEBAFZOXUBZ-LJQANCHMSA-N 1 0 419.504 4.226 20 30 HIEDRO Cc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c(-c2ccnn2C)c1 ZINC000567294536 946299005 /nfs/dbraw/zinc/29/90/05/946299005.db2.gz SQQIVANJYHMSDR-UHFFFAOYSA-N 1 0 422.536 4.138 20 30 HIEDRO Cc1nc(-c2ccc([C@H](C)[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)cc2)cs1 ZINC000568307897 946497221 /nfs/dbraw/zinc/49/72/21/946497221.db2.gz DEOYWNJATWUQLU-KKSFZXQISA-N 1 0 407.539 4.275 20 30 HIEDRO CC[NH+](CC)CCOc1ccc(-c2noc([C@@H](C#N)Cc3ccc(C#N)cc3)n2)cc1 ZINC000568325587 946508460 /nfs/dbraw/zinc/50/84/60/946508460.db2.gz MBFUGAWPZPSSFO-OAQYLSRUSA-N 1 0 415.497 4.179 20 30 HIEDRO C=C(C)Cn1c(CC2CCCCC2)nnc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000568653471 946635065 /nfs/dbraw/zinc/63/50/65/946635065.db2.gz IWDNLLHJDWEHMD-UHFFFAOYSA-N 1 0 415.626 4.058 20 30 HIEDRO C[C@@H](Cc1cncc2ccccc21)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000569031571 946803427 /nfs/dbraw/zinc/80/34/27/946803427.db2.gz TXRYOERATHYPGU-FQEVSTJZSA-N 1 0 412.537 4.088 20 30 HIEDRO C[C@@H]1CN(Cc2cccc(C[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)c2)CCO1 ZINC000569973011 947058209 /nfs/dbraw/zinc/05/82/09/947058209.db2.gz SSNRNCVSPMYUAL-MRXNPFEDSA-N 1 0 403.448 4.088 20 30 HIEDRO N#Cc1ccc(C[N@H+](CCO)Cc2cccc(Br)c2)c(C(F)(F)F)c1 ZINC000570326439 947202643 /nfs/dbraw/zinc/20/26/43/947202643.db2.gz TWAMWDMCEPTRFN-UHFFFAOYSA-N 1 0 413.237 4.334 20 30 HIEDRO C[C@H]1[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000570425939 947237515 /nfs/dbraw/zinc/23/75/15/947237515.db2.gz HIAOHPUPZTUMOT-FDDCHVKYSA-N 1 0 415.493 4.123 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]CCc3nc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC000572024504 947830192 /nfs/dbraw/zinc/83/01/92/947830192.db2.gz MGUQWXZSTYBWTG-UHFFFAOYSA-N 1 0 407.905 4.063 20 30 HIEDRO C=C(C)Cn1c(N2CC[C@H]([NH+]3CCCCC3)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000572100981 947845117 /nfs/dbraw/zinc/84/51/17/947845117.db2.gz AHYSDNFAOFXGQE-SFHVURJKSA-N 1 0 417.504 4.047 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000572412082 947896883 /nfs/dbraw/zinc/89/68/83/947896883.db2.gz QVWUXKLJTBUMAC-JTSKRJEESA-N 1 0 411.571 4.226 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000573736285 948285542 /nfs/dbraw/zinc/28/55/42/948285542.db2.gz RDKLCTRUYWVFMY-QFIPXVFZSA-N 1 0 419.569 4.162 20 30 HIEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)c1ccc(C#N)cc1 ZINC000573909697 948326543 /nfs/dbraw/zinc/32/65/43/948326543.db2.gz UIIZENLYOVPBPM-HSZRJFAPSA-N 1 0 411.571 4.062 20 30 HIEDRO COc1cc(C[NH2+]Cc2cc(Br)cc(Br)c2)ccc1C#N ZINC000574005368 948347549 /nfs/dbraw/zinc/34/75/49/948347549.db2.gz JXBBNTJUWUINRI-UHFFFAOYSA-N 1 0 410.109 4.382 20 30 HIEDRO Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000328606921 569418643 /nfs/dbraw/zinc/41/86/43/569418643.db2.gz TYPXNLORIHCVEX-ROMRWMGNSA-N 1 0 417.513 4.470 20 30 HIEDRO Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000328607753 569419117 /nfs/dbraw/zinc/41/91/17/569419117.db2.gz WYGVKXCCANUELZ-REWPJTCUSA-N 1 0 419.529 4.312 20 30 HIEDRO N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H](CF)[C@@H](C4([NH3+])CC4)C3)cnc2Cl)c1 ZINC001164625906 719127368 /nfs/dbraw/zinc/12/73/68/719127368.db2.gz ZGKWGNGEFRXNFI-YJBOKZPZSA-N 1 0 420.866 4.332 20 30 HIEDRO CCCc1cc(C#N)c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)nc1Cl ZINC001164857222 720971490 /nfs/dbraw/zinc/97/14/90/720971490.db2.gz DRFRVBOJRKOVNG-HNNXBMFYSA-N 1 0 400.958 4.177 20 30 HIEDRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncnc5[nH]cc(C#N)c54)CC3)CC2)cc1 ZINC001164760755 721041124 /nfs/dbraw/zinc/04/11/24/721041124.db2.gz CWNGEABYCZEROW-UHFFFAOYSA-N 1 0 400.530 4.021 20 30 HIEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903123 721555203 /nfs/dbraw/zinc/55/52/03/721555203.db2.gz ARZMSLQVLCPVMZ-ICSRJNTNSA-N 1 0 420.513 4.163 20 30 HIEDRO N#Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc2ccc(Cl)cc12 ZINC001164904739 721563593 /nfs/dbraw/zinc/56/35/93/721563593.db2.gz FLIPNTITNFIPSL-ICSRJNTNSA-N 1 0 422.891 4.241 20 30 HIEDRO Cc1nc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(Cl)cc1C#N ZINC001164913819 721736744 /nfs/dbraw/zinc/73/67/44/721736744.db2.gz YDUOLRVFFCTLGF-HXUWFJFHSA-N 1 0 417.891 4.048 20 30 HIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc(C4(C#N)CCC4)cn3)C[C@H]21 ZINC001165019861 721811944 /nfs/dbraw/zinc/81/19/44/721811944.db2.gz BZYCYBUDEKVGRJ-WWPVKYPJSA-N 1 0 401.558 4.159 20 30 HIEDRO Cc1cccc(C)c1NC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1ccccc1 ZINC000003285101 845010549 /nfs/dbraw/zinc/01/05/49/845010549.db2.gz KENGPWFKNJRAJU-UHFFFAOYSA-O 1 0 419.526 4.413 20 30 HIEDRO COC(=O)c1c(C)[nH]c(C(=O)C(C(=S)Nc2ccccc2)[n+]2cccc(C)c2)c1C ZINC000010170648 845625688 /nfs/dbraw/zinc/62/56/88/845625688.db2.gz USJPLNDMTPXSFW-UHFFFAOYSA-O 1 0 422.530 4.065 20 30 HIEDRO Cc1ccc(NC(=S)C(C(=O)c2cc(C)ccc2C)[n+]2cccc(CO)c2)cc1 ZINC000010173235 845627063 /nfs/dbraw/zinc/62/70/63/845627063.db2.gz YCOAJZZZONKTBW-UHFFFAOYSA-O 1 0 405.543 4.443 20 30 HIEDRO Cc1ccc(NC(=S)C(C(=O)c2ccc(F)c(F)c2)[n+]2cccc(CO)c2)cc1 ZINC000010173169 845627224 /nfs/dbraw/zinc/62/72/24/845627224.db2.gz FWBRFPNQFUWEGF-UHFFFAOYSA-O 1 0 413.469 4.104 20 30 HIEDRO Cc1ccc(C)c(C(=O)C(C(=S)Nc2ccccc2F)[n+]2cccc(CO)c2)c1 ZINC000011170745 845762724 /nfs/dbraw/zinc/76/27/24/845762724.db2.gz CSOMPPVCINVCPA-UHFFFAOYSA-O 1 0 409.506 4.273 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000436332663 861637088 /nfs/dbraw/zinc/63/70/88/861637088.db2.gz PLLQEKCDZCJDJX-JRFVFWCSSA-N 1 0 405.517 4.336 20 30 HIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000436362665 861693719 /nfs/dbraw/zinc/69/37/19/861693719.db2.gz IREIGHDTNNRSEY-GOTSBHOMSA-N 1 0 405.567 4.147 20 30 HIEDRO C=CCc1cc(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)cc(OC)c1OC ZINC000022680503 846602901 /nfs/dbraw/zinc/60/29/01/846602901.db2.gz ANDYZHHHOWCYFI-OAQYLSRUSA-N 1 0 424.541 4.008 20 30 HIEDRO C=CCNC(=S)C(C(=O)c1cccc(Br)c1)[n+]1ccc(CC)cc1 ZINC000022687297 846604148 /nfs/dbraw/zinc/60/41/48/846604148.db2.gz SJLMXMHKISHOAA-UHFFFAOYSA-O 1 0 404.353 4.013 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2cc(C)c(C)cc2C)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000022691284 846604164 /nfs/dbraw/zinc/60/41/64/846604164.db2.gz IUQCXHXDCIAGCS-FQEVSTJZSA-O 1 0 411.591 4.169 20 30 HIEDRO Cc1ccc(C(=O)C(C(=S)NC[C@H]2CCCO2)[n+]2ccc(C(C)(C)C)cc2)s1 ZINC000022692135 846604814 /nfs/dbraw/zinc/60/48/14/846604814.db2.gz WVEBGXBYALZQJZ-QGZVFWFLSA-O 1 0 417.620 4.349 20 30 HIEDRO CCOc1ccc(C(=O)C(C(=S)NCc2ccc(OC)cc2)[n+]2ccccc2)cc1 ZINC000022692903 846604873 /nfs/dbraw/zinc/60/48/73/846604873.db2.gz KTJNPRIKNZITMO-UHFFFAOYSA-O 1 0 421.542 4.110 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)cc1 ZINC000436365378 861700510 /nfs/dbraw/zinc/70/05/10/861700510.db2.gz PFQPDDMZZGDOEC-QHCPKHFHSA-N 1 0 424.589 4.419 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1cc(C)[nH]c1C)C(=S)NCCc1ccccc1 ZINC000023604837 846728229 /nfs/dbraw/zinc/72/82/29/846728229.db2.gz DOBBRFXCOPCQFP-UHFFFAOYSA-O 1 0 406.575 4.253 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2)c1C#N ZINC000025440849 846978244 /nfs/dbraw/zinc/97/82/44/846978244.db2.gz RMFAKOJQVZBNQF-NRFANRHFSA-N 1 0 416.525 4.264 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccccc1OC(F)(F)F ZINC000025534487 846994414 /nfs/dbraw/zinc/99/44/14/846994414.db2.gz NMNHBRJODFAORO-UHFFFAOYSA-N 1 0 423.460 4.468 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2ccc3c(c2)OCO3)cc1OC ZINC000026317135 847124052 /nfs/dbraw/zinc/12/40/52/847124052.db2.gz VCOHJNXYDWFDRT-UHFFFAOYSA-N 1 0 420.303 4.084 20 30 HIEDRO CCCCNC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccccc1CC ZINC000027326990 847283332 /nfs/dbraw/zinc/28/33/32/847283332.db2.gz QZRKVZPMOIVBNS-UHFFFAOYSA-O 1 0 400.524 4.082 20 30 HIEDRO COc1ccccc1NC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccccc1 ZINC000028695699 847449753 /nfs/dbraw/zinc/44/97/53/847449753.db2.gz QZDNBSYXUKAHGP-UHFFFAOYSA-O 1 0 422.530 4.181 20 30 HIEDRO CCOC(=O)c1c(C)[nH]c(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccccc2)c1C ZINC000028793533 847461872 /nfs/dbraw/zinc/46/18/72/847461872.db2.gz VPPXSZFUBNTIFT-UHFFFAOYSA-O 1 0 422.530 4.147 20 30 HIEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000030537529 847731423 /nfs/dbraw/zinc/73/14/23/847731423.db2.gz IJYXAYMJZMIDIN-YJBOKZPZSA-N 1 0 420.347 4.277 20 30 HIEDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@H](C)C3)cs2)cc1 ZINC000030558507 847735914 /nfs/dbraw/zinc/73/59/14/847735914.db2.gz RMVIXBIDKMTDSV-IAGOWNOFSA-N 1 0 416.591 4.230 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)c1C#N ZINC000031525135 847899566 /nfs/dbraw/zinc/89/95/66/847899566.db2.gz ZANPRPAMUYZEEW-UHFFFAOYSA-N 1 0 420.582 4.468 20 30 HIEDRO CC[C@H](CNC(=O)c1cc(C2CC2)nc(SC)c1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000032447114 848028773 /nfs/dbraw/zinc/02/87/73/848028773.db2.gz DMHRWHPRLZKZFA-LJQANCHMSA-N 1 0 420.582 4.119 20 30 HIEDRO Cc1cc(N2CCCC2)ccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000043496304 848430866 /nfs/dbraw/zinc/43/08/66/848430866.db2.gz JEIZQYGONCZBBH-UHFFFAOYSA-N 1 0 417.557 4.207 20 30 HIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000045757088 848723792 /nfs/dbraw/zinc/72/37/92/848723792.db2.gz HIDXJYUSKQYYPS-UHFFFAOYSA-N 1 0 404.558 4.453 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000045786256 848727874 /nfs/dbraw/zinc/72/78/74/848727874.db2.gz FCLMFTLYZJVGSE-KDURUIRLSA-N 1 0 413.587 4.255 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(OC(F)F)c(F)c3)CC2)cc1 ZINC000047714195 849095683 /nfs/dbraw/zinc/09/56/83/849095683.db2.gz DUYAOKMHYOTGKC-UHFFFAOYSA-N 1 0 418.419 4.039 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000048161887 849183605 /nfs/dbraw/zinc/18/36/05/849183605.db2.gz UCZYPQWWEYPFHB-IBGZPJMESA-N 1 0 406.530 4.328 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050136917 849356498 /nfs/dbraw/zinc/35/64/98/849356498.db2.gz PDQOBGRLTHJVPH-NRFANRHFSA-N 1 0 408.571 4.230 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050136918 849356678 /nfs/dbraw/zinc/35/66/78/849356678.db2.gz PDQOBGRLTHJVPH-OAQYLSRUSA-N 1 0 408.571 4.230 20 30 HIEDRO N#CCc1ccc(OC[C@@H](O)C[N@H+](Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC000051407133 849465937 /nfs/dbraw/zinc/46/59/37/849465937.db2.gz WNKCZAGAJXRJAN-FQEVSTJZSA-N 1 0 404.432 4.176 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(-c4nccs4)c3)CC2)cc1 ZINC000056778095 850480087 /nfs/dbraw/zinc/48/00/87/850480087.db2.gz UXIOCNWKPIBXTQ-UHFFFAOYSA-N 1 0 417.538 4.422 20 30 HIEDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000056985425 850530177 /nfs/dbraw/zinc/53/01/77/850530177.db2.gz DQBYRPCJODFWJA-UHFFFAOYSA-N 1 0 405.542 4.330 20 30 HIEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000058263568 850789168 /nfs/dbraw/zinc/78/91/68/850789168.db2.gz KWIWMYCYSIIFFS-UHFFFAOYSA-N 1 0 403.526 4.228 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000060465919 851109367 /nfs/dbraw/zinc/10/93/67/851109367.db2.gz UBOBHUWNZDITAQ-HCYUJWNOSA-N 1 0 402.542 4.332 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)ccc1Cl ZINC000060575846 851153312 /nfs/dbraw/zinc/15/33/12/851153312.db2.gz YETYGCMOUURQAT-UHFFFAOYSA-N 1 0 420.738 4.178 20 30 HIEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000062604018 851579719 /nfs/dbraw/zinc/57/97/19/851579719.db2.gz ZBWJERHKLAAJCM-OAQYLSRUSA-N 1 0 419.569 4.114 20 30 HIEDRO N#Cc1ccc(NC(=O)CCN2CCC[N@H+](CC3CCCCC3)CC2)cc1Cl ZINC000063549764 851713097 /nfs/dbraw/zinc/71/30/97/851713097.db2.gz BQYOLMMDDOYOBM-UHFFFAOYSA-N 1 0 402.970 4.128 20 30 HIEDRO CC(C)[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000437084500 862278979 /nfs/dbraw/zinc/27/89/79/862278979.db2.gz MFXGVQNZMSLEDG-NGICGMGXSA-N 1 0 406.486 4.477 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000064244480 851856901 /nfs/dbraw/zinc/85/69/01/851856901.db2.gz BUYMDGDDYOVGMK-UHFFFAOYSA-N 1 0 413.587 4.367 20 30 HIEDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H](C)Oc3ccc(C#N)cc3)ccc21 ZINC000065316724 852104628 /nfs/dbraw/zinc/10/46/28/852104628.db2.gz NCQSJIAOMLJUDD-SFHVURJKSA-N 1 0 404.514 4.261 20 30 HIEDRO Cc1nc(SCC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c(C#N)c(C)c1C ZINC000065876341 852297309 /nfs/dbraw/zinc/29/73/09/852297309.db2.gz BATLFUKRZKMPCG-UHFFFAOYSA-N 1 0 408.571 4.248 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000065930500 852321083 /nfs/dbraw/zinc/32/10/83/852321083.db2.gz BLZAMYBHSLLWFA-UHFFFAOYSA-N 1 0 416.525 4.126 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000437220527 862412707 /nfs/dbraw/zinc/41/27/07/862412707.db2.gz YWPQUZRSCWVSHV-UHFFFAOYSA-N 1 0 409.839 4.434 20 30 HIEDRO CC(C)c1ccc(NC(=O)CON=C(N)c2cccc(C[NH+]3CCCCC3)c2)cc1 ZINC000110181867 853069707 /nfs/dbraw/zinc/06/97/07/853069707.db2.gz MAEFIJJIJGYAPR-UHFFFAOYSA-N 1 0 408.546 4.072 20 30 HIEDRO C[C@H]1C[NH+](CC2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)C[C@H](C)O1 ZINC000110451895 853101243 /nfs/dbraw/zinc/10/12/43/853101243.db2.gz LUFNODCJEJCMPW-PMACEKPBSA-N 1 0 417.553 4.187 20 30 HIEDRO C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H](c2ccccc2)O1 ZINC000138362767 853384328 /nfs/dbraw/zinc/38/43/28/853384328.db2.gz PTHIGSIKEIHAMG-OXQOHEQNSA-N 1 0 409.555 4.289 20 30 HIEDRO COc1ccc2[nH]cc(C3CC[NH+](CCC(=O)Nc4ccccc4C#N)CC3)c2c1 ZINC000142111195 853488392 /nfs/dbraw/zinc/48/83/92/853488392.db2.gz MCOYTLIWURFEHW-UHFFFAOYSA-N 1 0 402.498 4.256 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)N[C@H]2CCCC[C@H]2C)cc1 ZINC000186963260 853669109 /nfs/dbraw/zinc/66/91/09/853669109.db2.gz SONXDKTUJIJEGN-KDOFPFPSSA-O 1 0 400.568 4.248 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2c(C)noc2C)C(=S)N[C@@H]2CCCC[C@@H]2C)cc1 ZINC000186963201 853669234 /nfs/dbraw/zinc/66/92/34/853669234.db2.gz SONXDKTUJIJEGN-KBXCAEBGSA-O 1 0 400.568 4.248 20 30 HIEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000195650716 853737820 /nfs/dbraw/zinc/73/78/20/853737820.db2.gz TYMMYWYMHPSNJN-QGZVFWFLSA-N 1 0 412.496 4.156 20 30 HIEDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)cc1Br ZINC000216013036 853842443 /nfs/dbraw/zinc/84/24/43/853842443.db2.gz VBQKWISRNDBXQH-NSHDSACASA-N 1 0 422.710 4.272 20 30 HIEDRO C=C(C)C[NH+]1CCC(NCc2csc(N(C(C)=O)c3ccc(F)cc3)n2)CC1 ZINC000236691916 853912438 /nfs/dbraw/zinc/91/24/38/853912438.db2.gz VJBYJIUXUQTFJA-UHFFFAOYSA-N 1 0 402.539 4.097 20 30 HIEDRO CC(C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000236741716 853918610 /nfs/dbraw/zinc/91/86/10/853918610.db2.gz HGNLTSJRMWBPET-UHFFFAOYSA-N 1 0 416.525 4.302 20 30 HIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000237200485 853981153 /nfs/dbraw/zinc/98/11/53/853981153.db2.gz CAGAZLWULJAMKC-TZIWHRDSSA-N 1 0 400.567 4.210 20 30 HIEDRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC(F)F ZINC000237368331 854015690 /nfs/dbraw/zinc/01/56/90/854015690.db2.gz AWYPDZXRXHLVFY-INIZCTEOSA-N 1 0 405.420 4.066 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)ccc1OC ZINC000237374702 854017368 /nfs/dbraw/zinc/01/73/68/854017368.db2.gz XMLOTVZFXNIGFC-UHFFFAOYSA-N 1 0 413.562 4.257 20 30 HIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000237502786 854046635 /nfs/dbraw/zinc/04/66/35/854046635.db2.gz OHHRHGSWQZLRPH-OXJNMPFZSA-N 1 0 403.448 4.360 20 30 HIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000237506756 854047090 /nfs/dbraw/zinc/04/70/90/854047090.db2.gz AXVCLARTLZPSDM-WMZOPIPTSA-N 1 0 401.457 4.337 20 30 HIEDRO CC[N@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000249965688 854192930 /nfs/dbraw/zinc/19/29/30/854192930.db2.gz NPZOYMYISYZCDP-VGSWGCGISA-N 1 0 404.539 4.303 20 30 HIEDRO CCCc1cc[n+](C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C(=S)NC(C)C)cc1 ZINC000297755749 854280745 /nfs/dbraw/zinc/28/07/45/854280745.db2.gz OQJLCKOSXDDYQS-UHFFFAOYSA-O 1 0 400.524 4.080 20 30 HIEDRO N#Cc1cc(N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301363441 854371817 /nfs/dbraw/zinc/37/18/17/854371817.db2.gz RDBHPIMZAFXLCR-UHFFFAOYSA-N 1 0 421.888 4.380 20 30 HIEDRO C[C@@H]1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000301450419 854398069 /nfs/dbraw/zinc/39/80/69/854398069.db2.gz PUIHFQKFRDVUSU-QGZVFWFLSA-N 1 0 401.470 4.115 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3cncc(SCc4ccccc4)n3)CC2)cc1 ZINC000301766379 854462373 /nfs/dbraw/zinc/46/23/73/854462373.db2.gz HHDAOCKGLVXYLX-UHFFFAOYSA-N 1 0 415.566 4.353 20 30 HIEDRO Cc1cc(C)c2ncc(C#N)c(NCc3ccccc3C[N@@H+]3CCC[C@H]3CO)c2c1 ZINC000302875397 854663177 /nfs/dbraw/zinc/66/31/77/854663177.db2.gz FJIIQBYYVYSVHM-QFIPXVFZSA-N 1 0 400.526 4.292 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)cc1OC ZINC000303208374 854816987 /nfs/dbraw/zinc/81/69/87/854816987.db2.gz QKEZFPVRHMGCEN-GOSISDBHSA-N 1 0 417.347 4.391 20 30 HIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000303230808 854827704 /nfs/dbraw/zinc/82/77/04/854827704.db2.gz VLRAADZSJZEQMF-XMMPIXPASA-N 1 0 404.558 4.044 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(C)nc3cc(Br)ccc32)CC1 ZINC000303303160 854861192 /nfs/dbraw/zinc/86/11/92/854861192.db2.gz QHYHZRZVYFZYCZ-UHFFFAOYSA-N 1 0 402.336 4.076 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000303562775 855041760 /nfs/dbraw/zinc/04/17/60/855041760.db2.gz IHZXRKYGEHAJQX-PCCBWWKXSA-N 1 0 403.636 4.238 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c1C#N ZINC000303563449 855041851 /nfs/dbraw/zinc/04/18/51/855041851.db2.gz LONNZMDBKNPKMD-DEOSSOPVSA-N 1 0 406.530 4.379 20 30 HIEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CCC(C[NH+]4CCCC4)CC3)c2)c1 ZINC000303636798 855093888 /nfs/dbraw/zinc/09/38/88/855093888.db2.gz GNOFMFIYLALLIV-UHFFFAOYSA-N 1 0 403.526 4.085 20 30 HIEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCS[C@H](C)[C@H]2c2ccccc2)c(OC)c1 ZINC000303740033 855165128 /nfs/dbraw/zinc/16/51/28/855165128.db2.gz YUECUFZMDKJVCH-JLGINSKQSA-N 1 0 413.583 4.342 20 30 HIEDRO C=CCc1ccc(OCC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC000303775117 855190548 /nfs/dbraw/zinc/19/05/48/855190548.db2.gz RKBZRMGVIQZZAM-NZQKXSOJSA-N 1 0 422.569 4.314 20 30 HIEDRO C=CCc1ccc(OCC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(OC)c1 ZINC000303775118 855190972 /nfs/dbraw/zinc/19/09/72/855190972.db2.gz RKBZRMGVIQZZAM-OFNKIYASSA-N 1 0 422.569 4.314 20 30 HIEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCc2nnc3n2CCCCC3)cc1 ZINC000303789483 855199495 /nfs/dbraw/zinc/19/94/95/855199495.db2.gz VJVUHQSWPQKXJE-UHFFFAOYSA-N 1 0 402.546 4.113 20 30 HIEDRO COc1cc(OC)c(OC)cc1CNC(=[NH2+])N[C@H](C)c1ccc(Cl)cc1Cl ZINC000303790685 855200334 /nfs/dbraw/zinc/20/03/34/855200334.db2.gz WRMZQASGCIUQEF-LLVKDONJSA-N 1 0 412.317 4.185 20 30 HIEDRO COc1cc(C#N)ccc1OCC[N@H+](Cc1cccc(Br)c1)C1CC1 ZINC000303799306 855204472 /nfs/dbraw/zinc/20/44/72/855204472.db2.gz GMGMTFTWCOFREQ-UHFFFAOYSA-N 1 0 401.304 4.373 20 30 HIEDRO CC(C)Oc1ccc(NC(=[NH2+])NCc2ccc(OCCOc3ccccc3)nc2)cc1 ZINC000303880451 855266115 /nfs/dbraw/zinc/26/61/15/855266115.db2.gz HESQACRZYVBYEN-UHFFFAOYSA-N 1 0 420.513 4.253 20 30 HIEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2cccc(NC(=O)C3CCCCC3)c2)c1 ZINC000303888753 855271635 /nfs/dbraw/zinc/27/16/35/855271635.db2.gz PCKSYGPBFUDWTD-UHFFFAOYSA-N 1 0 410.518 4.149 20 30 HIEDRO CCCOc1ccc(Oc2ncccc2CNC(=[NH2+])NCCc2cccs2)cc1 ZINC000303897406 855275793 /nfs/dbraw/zinc/27/57/93/855275793.db2.gz VBVPAHKASIJGLB-UHFFFAOYSA-N 1 0 410.543 4.371 20 30 HIEDRO [NH2+]=C(NCc1ccc(Oc2ccc(F)cc2)nc1)Nc1ccc2c(c1)OCCCO2 ZINC000303899404 855276450 /nfs/dbraw/zinc/27/64/50/855276450.db2.gz RQJLCTPVUKKGNL-UHFFFAOYSA-N 1 0 408.433 4.101 20 30 HIEDRO [NH2+]=C(NCc1ccc(Br)cc1Cl)Nc1ccc2c(c1)OCCCO2 ZINC000303903555 855278184 /nfs/dbraw/zinc/27/81/84/855278184.db2.gz YLYCBHFOWRJEOG-UHFFFAOYSA-N 1 0 410.699 4.191 20 30 HIEDRO COc1cc(CNC(Nc2ccccc2)=[NH+]Cc2ccc(C)cc2)cc(OC)c1O ZINC000303905016 855279234 /nfs/dbraw/zinc/27/92/34/855279234.db2.gz ZDFNFYZWTSPJQZ-UHFFFAOYSA-N 1 0 405.498 4.285 20 30 HIEDRO Cc1cccc(NC(=[NH2+])NCC2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000303978808 855334050 /nfs/dbraw/zinc/33/40/50/855334050.db2.gz MOWQRBVYAIWNCC-UHFFFAOYSA-N 1 0 402.336 4.233 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCC(=O)Nc2cccc(Cl)c2C)c1 ZINC000303987334 855336686 /nfs/dbraw/zinc/33/66/86/855336686.db2.gz VJKUWGNEFKEFFT-UHFFFAOYSA-N 1 0 418.925 4.201 20 30 HIEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]CCc2cccc(C(=O)N(C)C)c2)cc1 ZINC000304350662 855355715 /nfs/dbraw/zinc/35/57/15/855355715.db2.gz VNVYIXZBGWQNAC-UHFFFAOYSA-N 1 0 414.553 4.497 20 30 HIEDRO COC(=O)c1cc(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)ccc1OC ZINC000304487222 855356154 /nfs/dbraw/zinc/35/61/54/855356154.db2.gz KJYYQCLGKQYEEL-UHFFFAOYSA-N 1 0 405.454 4.201 20 30 HIEDRO [NH2+]=C(NC[C@@H](c1c(F)cccc1Cl)N1CCCC1)N[C@@H]1CCOc2ccccc21 ZINC000304480638 855356706 /nfs/dbraw/zinc/35/67/06/855356706.db2.gz JKXAMEOUPGJSLH-MOPGFXCFSA-N 1 0 416.928 4.044 20 30 HIEDRO CC1CCC(Oc2cc(CNC(=[NH2+])Nc3ccc4c(c3)OCCCO4)ccn2)CC1 ZINC000304753929 855357930 /nfs/dbraw/zinc/35/79/30/855357930.db2.gz LMZPQEHGBALEBF-UHFFFAOYSA-N 1 0 410.518 4.127 20 30 HIEDRO Cc1ccc(-n2nc(CCCNC(=[NH2+])Nc3cccc(C(C)C)c3)c(C#N)c2N)cc1 ZINC000304780489 855359096 /nfs/dbraw/zinc/35/90/96/855359096.db2.gz FVBWLXVOPCIWQQ-UHFFFAOYSA-N 1 0 415.545 4.117 20 30 HIEDRO COc1ccc(Br)cc1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000305179382 855360394 /nfs/dbraw/zinc/36/03/94/855360394.db2.gz BERQKOAKRNGWLA-UHFFFAOYSA-N 1 0 418.213 4.283 20 30 HIEDRO C[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1nc(-c2ccccc2)no1 ZINC000305670101 855360845 /nfs/dbraw/zinc/36/08/45/855360845.db2.gz WPTQFJLIROTQFF-GFCCVEGCSA-N 1 0 405.380 4.166 20 30 HIEDRO N#Cc1ccc(OCc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)o2)cc1 ZINC000409663834 855591357 /nfs/dbraw/zinc/59/13/57/855591357.db2.gz GWQGSKTZYLVXMD-UHFFFAOYSA-N 1 0 415.493 4.125 20 30 HIEDRO N#CC1(CCC[NH2+]C2(c3ccc(Br)cc3)CCOCC2)CCOCC1 ZINC000410424905 855992513 /nfs/dbraw/zinc/99/25/13/855992513.db2.gz YNLZZJMXSBHZSD-UHFFFAOYSA-N 1 0 407.352 4.145 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CCC[C@H](Oc3ncccc3F)C2)c(-c2ccccc2)n1 ZINC000425976255 856025648 /nfs/dbraw/zinc/02/56/48/856025648.db2.gz PRLOHODKOUTDPR-FQEVSTJZSA-N 1 0 405.477 4.041 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[NH+](C(C)C)CC3)sc2C1 ZINC000426390588 856271176 /nfs/dbraw/zinc/27/11/76/856271176.db2.gz POEWNAASOJDPOG-QGZVFWFLSA-N 1 0 416.635 4.125 20 30 HIEDRO O=C(NC[C@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000426426709 856284357 /nfs/dbraw/zinc/28/43/57/856284357.db2.gz ZJFCUSSXAUXXHN-LJQANCHMSA-N 1 0 400.444 4.199 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1ccc(F)c(Cl)c1 ZINC000427125684 856654850 /nfs/dbraw/zinc/65/48/50/856654850.db2.gz GHLKGCMIULWWFX-UHFFFAOYSA-N 1 0 422.957 4.260 20 30 HIEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427245421 856734478 /nfs/dbraw/zinc/73/44/78/856734478.db2.gz ZRPLETFGKDQGHP-UHFFFAOYSA-N 1 0 410.525 4.002 20 30 HIEDRO CCOC(=O)[C@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(C)c1C ZINC000428373008 857181368 /nfs/dbraw/zinc/18/13/68/857181368.db2.gz JXQOGZFWEKLJKE-XMMPIXPASA-N 1 0 405.542 4.034 20 30 HIEDRO N#CCCn1ncc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)c1-c1ccccc1 ZINC000428921269 857415755 /nfs/dbraw/zinc/41/57/55/857415755.db2.gz JYYLXFULSBUVMU-UHFFFAOYSA-N 1 0 413.525 4.354 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000429069937 857491836 /nfs/dbraw/zinc/49/18/36/857491836.db2.gz SHPQJKWOYRKPCQ-YJBOKZPZSA-N 1 0 414.456 4.192 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000429122929 857520629 /nfs/dbraw/zinc/52/06/29/857520629.db2.gz RVMGRBDHMGRMMP-LRAJWGHMSA-N 1 0 415.584 4.373 20 30 HIEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C ZINC000429289011 857592232 /nfs/dbraw/zinc/59/22/32/857592232.db2.gz BONBYUGAUIJKQV-WSXQUGQNSA-N 1 0 406.368 4.105 20 30 HIEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@H](C)c2cccc(O)c2)c1C#N ZINC000429296874 857595238 /nfs/dbraw/zinc/59/52/38/857595238.db2.gz XVPBACZVQCPMBZ-MRXNPFEDSA-N 1 0 420.488 4.159 20 30 HIEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@H](C)c2cccc(O)c2)c1C#N ZINC000429298956 857596642 /nfs/dbraw/zinc/59/66/42/857596642.db2.gz XGYIMNFKECBRFP-OAHLLOKOSA-N 1 0 406.461 4.100 20 30 HIEDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)[C@@H](C)[C@H]1OC ZINC000429298775 857596656 /nfs/dbraw/zinc/59/66/56/857596656.db2.gz XUJXVCKDOQDSOZ-IMAQQZIHSA-N 1 0 403.592 4.449 20 30 HIEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000437636798 862964686 /nfs/dbraw/zinc/96/46/86/862964686.db2.gz OZBZZNUSLHZXDV-LADGPHEKSA-N 1 0 407.558 4.196 20 30 HIEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccccc1 ZINC000430064209 858018056 /nfs/dbraw/zinc/01/80/56/858018056.db2.gz CEXCVGKKTRBRAB-IBGZPJMESA-N 1 0 415.541 4.323 20 30 HIEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cnn(CCC#N)c1-c1ccccc1)c1ccccc1 ZINC000430064213 858018208 /nfs/dbraw/zinc/01/82/08/858018208.db2.gz CEXCVGKKTRBRAB-LJQANCHMSA-N 1 0 415.541 4.323 20 30 HIEDRO N#CCCn1ncc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1-c1ccccc1 ZINC000430073086 858020656 /nfs/dbraw/zinc/02/06/56/858020656.db2.gz WROADVJZJUPDQY-NRFANRHFSA-N 1 0 419.573 4.192 20 30 HIEDRO COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC2(CC#N)CC2)cc1OC ZINC000430075654 858021567 /nfs/dbraw/zinc/02/15/67/858021567.db2.gz HROXFFVGGQZFKC-UHFFFAOYSA-N 1 0 416.525 4.399 20 30 HIEDRO C=CCn1c(SC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nnc1-c1ccoc1C ZINC000430124062 858042026 /nfs/dbraw/zinc/04/20/26/858042026.db2.gz RMKUQFWULPOSAG-HXUWFJFHSA-N 1 0 424.570 4.416 20 30 HIEDRO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(-c2ccccc2)cc1OC ZINC000430177531 858067661 /nfs/dbraw/zinc/06/76/61/858067661.db2.gz MQHSDXXAZABXPH-OAQYLSRUSA-N 1 0 415.493 4.291 20 30 HIEDRO COc1ccc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1OCc1ccccc1 ZINC000430178765 858068498 /nfs/dbraw/zinc/06/84/98/858068498.db2.gz NBELRNAUZAMWKG-JOCHJYFZSA-N 1 0 415.493 4.194 20 30 HIEDRO N#Cc1ccc(O[C@@H]2CC[N@H+](Cc3cc4ccccc4nc3N3CCCCC3)C2)nc1 ZINC000430182684 858070505 /nfs/dbraw/zinc/07/05/05/858070505.db2.gz ZMNZZWLURKQMGH-JOCHJYFZSA-N 1 0 413.525 4.145 20 30 HIEDRO N#CCC1(CNC(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000430184401 858071254 /nfs/dbraw/zinc/07/12/54/858071254.db2.gz AGHCKVGQDOTTGE-UHFFFAOYSA-N 1 0 402.542 4.442 20 30 HIEDRO N#CCSc1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000430592212 858230261 /nfs/dbraw/zinc/23/02/61/858230261.db2.gz LZHJQLUOTMATQX-DEOSSOPVSA-N 1 0 405.567 4.431 20 30 HIEDRO N#CCSc1cccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000430696779 858272120 /nfs/dbraw/zinc/27/21/20/858272120.db2.gz CTUKSUQTKAIOBG-SFHVURJKSA-N 1 0 419.472 4.325 20 30 HIEDRO N#CCSc1cccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)c1 ZINC000430696778 858272417 /nfs/dbraw/zinc/27/24/17/858272417.db2.gz CTUKSUQTKAIOBG-GOSISDBHSA-N 1 0 419.472 4.325 20 30 HIEDRO C=CCN1C(=O)N(Cc2ccccc2C[N@@H+](C)C(C)C)C(=O)[C@@H]1Cc1ccccc1 ZINC000430749280 858287576 /nfs/dbraw/zinc/28/75/76/858287576.db2.gz ULYLKDOSFJQXAR-QHCPKHFHSA-N 1 0 405.542 4.088 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430765091 858296210 /nfs/dbraw/zinc/29/62/10/858296210.db2.gz DUSWLHZAWUOWHM-FHAGJXEFSA-N 1 0 406.526 4.296 20 30 HIEDRO C[C@H]1C[C@@H](N(C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000430826148 858318877 /nfs/dbraw/zinc/31/88/77/858318877.db2.gz GAGAMBYIDHBOMZ-AVRDEDQJSA-N 1 0 401.514 4.093 20 30 HIEDRO C=CCOc1ccc(CNC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000431305097 858555932 /nfs/dbraw/zinc/55/59/32/858555932.db2.gz LVMUBAKXTAHWFL-UHFFFAOYSA-N 1 0 419.569 4.449 20 30 HIEDRO CC(C)CC[NH+]1CCC(CNC(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000431551353 858666724 /nfs/dbraw/zinc/66/67/24/858666724.db2.gz VDEHQHLIQYTYNK-UHFFFAOYSA-N 1 0 409.530 4.218 20 30 HIEDRO N#CCCC[C@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000433034285 859492137 /nfs/dbraw/zinc/49/21/37/859492137.db2.gz XWCPZBYABJIYNY-UNMCSNQZSA-N 1 0 404.539 4.373 20 30 HIEDRO CCOC(=O)c1csc(C2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)n1 ZINC000433044872 859496920 /nfs/dbraw/zinc/49/69/20/859496920.db2.gz KRBKLFNAAINNLC-UHFFFAOYSA-N 1 0 413.543 4.382 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@H]3CCOC[C@H]3C)sc2C1 ZINC000433161768 859548148 /nfs/dbraw/zinc/54/81/48/859548148.db2.gz YIUNVPMCSYRRMA-RKVPGOIHSA-N 1 0 403.592 4.114 20 30 HIEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433295837 859622387 /nfs/dbraw/zinc/62/23/87/859622387.db2.gz GDNOPTFKPMMVJR-HNNXBMFYSA-N 1 0 418.360 4.275 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)c(-c2ccncc2)n1 ZINC000433303809 859627886 /nfs/dbraw/zinc/62/78/86/859627886.db2.gz JDGTZIGLPJHGAX-UHFFFAOYSA-N 1 0 415.419 4.090 20 30 HIEDRO N#CCCn1cc(C[NH2+][C@H]2CCN(c3ccc(F)c(Cl)c3)C2)c(-c2ccncc2)n1 ZINC000433315004 859634488 /nfs/dbraw/zinc/63/44/88/859634488.db2.gz AOXZTZVSTCAUEF-SFHVURJKSA-N 1 0 424.911 4.020 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCCC(=O)Nc2ccc(Cl)cc2)c(-c2ccncc2)n1 ZINC000433317733 859636280 /nfs/dbraw/zinc/63/62/80/859636280.db2.gz LUUVFKQKNVVLPF-UHFFFAOYSA-N 1 0 422.920 4.021 20 30 HIEDRO C[C@]1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCCN1Cc1ccccc1 ZINC000433321704 859639504 /nfs/dbraw/zinc/63/95/04/859639504.db2.gz OGOIRBVHWABBFZ-RUZDIDTESA-N 1 0 414.557 4.003 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)c(-c2ccncc2)n1 ZINC000433327845 859645124 /nfs/dbraw/zinc/64/51/24/859645124.db2.gz BCPDMCUXCZALJR-UHFFFAOYSA-N 1 0 415.419 4.090 20 30 HIEDRO C[C@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCN1Cc1ccccc1 ZINC000433329267 859647003 /nfs/dbraw/zinc/64/70/03/859647003.db2.gz GDLPKMXIEANPIN-RDPSFJRHSA-N 1 0 414.557 4.001 20 30 HIEDRO N#CCCn1cc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c(-c2ccncc2)n1 ZINC000433333132 859648501 /nfs/dbraw/zinc/64/85/01/859648501.db2.gz FMVYAISYONEACA-SFHVURJKSA-N 1 0 424.911 4.020 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCc2cc(Cl)cc(Cl)c2)c(-c2ccncc2)n1 ZINC000433336937 859650788 /nfs/dbraw/zinc/65/07/88/859650788.db2.gz BBVCIENERNLGML-UHFFFAOYSA-N 1 0 400.313 4.498 20 30 HIEDRO N#CCCn1cc(CNc2cccc(C[NH+]3CCCCC3)c2)c(-c2ccncc2)n1 ZINC000433337083 859650988 /nfs/dbraw/zinc/65/09/88/859650988.db2.gz XTZOJSAWEBKPCT-UHFFFAOYSA-N 1 0 400.530 4.457 20 30 HIEDRO Cc1cc(Cl)ccc1OCCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433337489 859652435 /nfs/dbraw/zinc/65/24/35/859652435.db2.gz SGNUJXCSSFELRX-UHFFFAOYSA-N 1 0 409.921 4.379 20 30 HIEDRO N#CCCn1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(-c2ccncc2)n1 ZINC000433339444 859654251 /nfs/dbraw/zinc/65/42/51/859654251.db2.gz LIIWKPPNRPNQEO-FGZHOGPDSA-N 1 0 405.477 4.008 20 30 HIEDRO C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000433406485 859681532 /nfs/dbraw/zinc/68/15/32/859681532.db2.gz PLYJBEGMZXZFJL-UXHICEINSA-N 1 0 420.557 4.086 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccnc(Oc3ccc(F)cc3F)c2)CC1 ZINC000433746986 859872010 /nfs/dbraw/zinc/87/20/10/859872010.db2.gz JSPCIQAYGLOQPQ-UHFFFAOYSA-N 1 0 402.445 4.314 20 30 HIEDRO C=CCOc1ccc(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)cc1OC ZINC000434495304 860373211 /nfs/dbraw/zinc/37/32/11/860373211.db2.gz ULHDTZNRAKDIEA-UHFFFAOYSA-N 1 0 410.514 4.011 20 30 HIEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)CCCCCO)sc2C1 ZINC000434683373 860458281 /nfs/dbraw/zinc/45/82/81/860458281.db2.gz GGJRRNYNARHIGL-INIZCTEOSA-N 1 0 405.608 4.194 20 30 HIEDRO C[C@H](NCc1cn(CCC#N)nc1-c1ccncc1)c1nc(C2CCCCC2)no1 ZINC000434987598 860586704 /nfs/dbraw/zinc/58/67/04/860586704.db2.gz VHOGKCWPUSJACZ-INIZCTEOSA-N 1 0 405.506 4.140 20 30 HIEDRO N#Cc1cccc(C2(C(=O)N[C@@H]3CCCN(Cc4ccc(F)cc4Cl)C3)CC2)c1 ZINC000434998228 860590853 /nfs/dbraw/zinc/59/08/53/860590853.db2.gz CJOLVPOMVOANAA-HXUWFJFHSA-N 1 0 411.908 4.163 20 30 HIEDRO N#CCCn1cc(C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)c(-c2ccncc2)n1 ZINC000435124287 860652118 /nfs/dbraw/zinc/65/21/18/860652118.db2.gz NVMMIWXQSGULEN-QHCPKHFHSA-N 1 0 401.514 4.040 20 30 HIEDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000435127714 860653700 /nfs/dbraw/zinc/65/37/00/860653700.db2.gz YEICUUSVEAGRLP-QHCPKHFHSA-N 1 0 400.530 4.262 20 30 HIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)cc1OC ZINC000435138001 860660121 /nfs/dbraw/zinc/66/01/21/860660121.db2.gz PCQLEXJXLFGZNO-OAQYLSRUSA-N 1 0 417.513 4.213 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000435741353 861022392 /nfs/dbraw/zinc/02/23/92/861022392.db2.gz OJCOKAJOFYMWNP-DOMZBBRYSA-N 1 0 406.267 4.130 20 30 HIEDRO N#CCCCn1cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c2ccccc21 ZINC000435819584 861085724 /nfs/dbraw/zinc/08/57/24/861085724.db2.gz SXTWDAAIWCWRPE-UHFFFAOYSA-N 1 0 400.526 4.471 20 30 HIEDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[N@@H+]1C ZINC000437744605 863069876 /nfs/dbraw/zinc/06/98/76/863069876.db2.gz KQTAQAASCIGCEO-XMSQKQJNSA-N 1 0 406.530 4.278 20 30 HIEDRO C[C@H]1C[C@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC[N@@H+]1C ZINC000437960107 863331573 /nfs/dbraw/zinc/33/15/73/863331573.db2.gz HWQOEKMRZLIQRY-HNAYVOBHSA-N 1 0 412.921 4.395 20 30 HIEDRO C[C@@H]1C[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC[N@@H+]1C ZINC000437960102 863332214 /nfs/dbraw/zinc/33/22/14/863332214.db2.gz HWQOEKMRZLIQRY-BEFAXECRSA-N 1 0 412.921 4.395 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)cc2Cl)c1 ZINC000437963521 863335241 /nfs/dbraw/zinc/33/52/41/863335241.db2.gz OUAWUANICCRPCL-HXUWFJFHSA-N 1 0 422.916 4.269 20 30 HIEDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000438064589 863439083 /nfs/dbraw/zinc/43/90/83/863439083.db2.gz KCSZVGQURSDCGK-XMMPIXPASA-N 1 0 424.548 4.467 20 30 HIEDRO O=C(NC[C@@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1)c1ccccc1 ZINC000438072832 863457048 /nfs/dbraw/zinc/45/70/48/863457048.db2.gz LJFZGODRQGCBPH-IBGZPJMESA-N 1 0 416.443 4.079 20 30 HIEDRO C=C(C)C[NH+]1CCC(NCc2ccccc2OCc2ccc(C(=O)OC)cc2)CC1 ZINC000438204023 863633741 /nfs/dbraw/zinc/63/37/41/863633741.db2.gz UOQSYKHDKRJYCY-UHFFFAOYSA-N 1 0 408.542 4.182 20 30 HIEDRO Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1OC(C)C ZINC000438396148 863844993 /nfs/dbraw/zinc/84/49/93/863844993.db2.gz MSLFJHWNEFFKCR-UHFFFAOYSA-N 1 0 406.530 4.394 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccccc2OCc2ccncc2)CC1 ZINC000438468940 863889678 /nfs/dbraw/zinc/88/96/78/863889678.db2.gz FFQDFRBGEDQBQT-UHFFFAOYSA-N 1 0 414.509 4.407 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)ccc1OC ZINC000438470911 863890687 /nfs/dbraw/zinc/89/06/87/863890687.db2.gz KNPUSLSULDMZFC-UHFFFAOYSA-N 1 0 407.514 4.397 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccccc2OCc2cccnc2)CC1 ZINC000438480408 863897185 /nfs/dbraw/zinc/89/71/85/863897185.db2.gz FIZXGFMLMJHHLT-UHFFFAOYSA-N 1 0 414.509 4.407 20 30 HIEDRO COc1cc(CN2CCO[C@@H](c3ccco3)C2)ccc1OCc1cccc(C#N)c1 ZINC000438560005 863993248 /nfs/dbraw/zinc/99/32/48/863993248.db2.gz UJGUEDPTMMLVCE-XMMPIXPASA-N 1 0 404.466 4.312 20 30 HIEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438641438 864078268 /nfs/dbraw/zinc/07/82/68/864078268.db2.gz MKRMUAXHZPGYHA-UHFFFAOYSA-N 1 0 417.435 4.281 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000438665390 864118396 /nfs/dbraw/zinc/11/83/96/864118396.db2.gz MFDKHTCPALEBKB-UHFFFAOYSA-N 1 0 414.575 4.119 20 30 HIEDRO C=CCOc1cccc(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)c1 ZINC000438671736 864132297 /nfs/dbraw/zinc/13/22/97/864132297.db2.gz ZMIOOCZKVVURDE-UHFFFAOYSA-N 1 0 421.541 4.103 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000467937488 881809236 /nfs/dbraw/zinc/80/92/36/881809236.db2.gz IEMVLMAUCSVIOE-UHFFFAOYSA-N 1 0 405.502 4.118 20 30 HIEDRO C[C@@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000439571781 864893562 /nfs/dbraw/zinc/89/35/62/864893562.db2.gz ORPKCLFLELMGNE-OAQYLSRUSA-N 1 0 404.558 4.462 20 30 HIEDRO CCCc1c(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cnn1-c1cccc(C#N)c1 ZINC000439664332 864994688 /nfs/dbraw/zinc/99/46/88/864994688.db2.gz NZLNVMMEWMZIGX-HSZRJFAPSA-N 1 0 416.529 4.121 20 30 HIEDRO CCCc1c(NC(=O)N2CCC([NH+]3CCCCC3)CC2)cnn1-c1cccc(C#N)c1 ZINC000439708592 865045747 /nfs/dbraw/zinc/04/57/47/865045747.db2.gz YYYXJXQFNNGYHH-UHFFFAOYSA-N 1 0 420.561 4.179 20 30 HIEDRO O=C(Nc1ccc(F)cc1)C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000439888950 865202109 /nfs/dbraw/zinc/20/21/09/865202109.db2.gz RIKMKIGDEUJJAV-UHFFFAOYSA-N 1 0 420.406 4.427 20 30 HIEDRO COc1ccccc1[C@@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)[NH+]1CCCC1 ZINC000440206487 865440296 /nfs/dbraw/zinc/44/02/96/865440296.db2.gz IIJOVIJPTXVUAJ-FGZHOGPDSA-N 1 0 406.530 4.176 20 30 HIEDRO COc1cccc([C@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)[NH+]2CCCC2)c1 ZINC000440216457 865454636 /nfs/dbraw/zinc/45/46/36/865454636.db2.gz OVTAHXZJXCTKIU-GOTSBHOMSA-N 1 0 406.530 4.176 20 30 HIEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000440230568 865466461 /nfs/dbraw/zinc/46/64/61/865466461.db2.gz HOULDXQQKKZLTG-JDBUVZGPSA-N 1 0 404.558 4.487 20 30 HIEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000440543406 865812122 /nfs/dbraw/zinc/81/21/22/865812122.db2.gz MOFPXBWXVZDWFX-RDGATRHJSA-N 1 0 419.569 4.332 20 30 HIEDRO COc1cc(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)ccc1C#N ZINC000440811771 865929311 /nfs/dbraw/zinc/92/93/11/865929311.db2.gz TWOHLKTWZZMQGQ-UHFFFAOYSA-N 1 0 415.331 4.167 20 30 HIEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c(OC)c1 ZINC000441368530 866438087 /nfs/dbraw/zinc/43/80/87/866438087.db2.gz ZPWRJQVPUSGEHE-DHIUTWEWSA-N 1 0 410.558 4.067 20 30 HIEDRO N#Cc1c(NC(=O)CCN2CC[C@@H](C[NH+]3CCCCC3)C2)sc2c1CCCCC2 ZINC000441447239 866522107 /nfs/dbraw/zinc/52/21/07/866522107.db2.gz KOWMJWMYEVSWQC-SFHVURJKSA-N 1 0 414.619 4.025 20 30 HIEDRO C[NH+](C)CCN(Cc1ccccc1)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000442180955 867203265 /nfs/dbraw/zinc/20/32/65/867203265.db2.gz JSCVYINXVUPKEM-UHFFFAOYSA-N 1 0 406.408 4.053 20 30 HIEDRO CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 ZINC000442187719 867211642 /nfs/dbraw/zinc/21/16/42/867211642.db2.gz WXXHLFIVUYVRMS-UHFFFAOYSA-N 1 0 412.456 4.433 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC1CCC(C#N)CC1 ZINC000442724780 867651007 /nfs/dbraw/zinc/65/10/07/867651007.db2.gz SEUOZSANTVMQLU-UHFFFAOYSA-N 1 0 410.484 4.109 20 30 HIEDRO Cc1c([C@H](C)[NH2+]CC2CCC(C#N)CC2)nnn1-c1cccc(Br)c1 ZINC000442866210 867704997 /nfs/dbraw/zinc/70/49/97/867704997.db2.gz KLXLRNBLEHMBNE-JEYLPNPQSA-N 1 0 402.340 4.319 20 30 HIEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000442867449 867705256 /nfs/dbraw/zinc/70/52/56/867705256.db2.gz LPENSNZMDYYRDY-NVPAJSRCSA-N 1 0 405.564 4.178 20 30 HIEDRO N#CCCn1ncc(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)c1-c1ccccc1 ZINC000442980343 867775388 /nfs/dbraw/zinc/77/53/88/867775388.db2.gz RBKAQEJCZSYNRB-UHFFFAOYSA-N 1 0 419.573 4.240 20 30 HIEDRO N#Cc1ccc(C2(C(=O)Nc3cccc(NC(=O)CC[NH+]4CCCCC4)c3)CC2)cc1 ZINC000444008988 868532211 /nfs/dbraw/zinc/53/22/11/868532211.db2.gz MEZHKQXYQVOSFY-UHFFFAOYSA-N 1 0 416.525 4.043 20 30 HIEDRO CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)Nc2ccccc2SCC#N)C12CCCCC2 ZINC000444229761 868679041 /nfs/dbraw/zinc/67/90/41/868679041.db2.gz XLKIJTYXWGRVMX-VQTJNVASSA-N 1 0 401.576 4.300 20 30 HIEDRO N#CC(CC[NH+]1CCC(C(=O)N2CCCC2)CC1)(c1ccccc1)c1ccccc1 ZINC000444591652 868893734 /nfs/dbraw/zinc/89/37/34/868893734.db2.gz HGTHXRJVCVAQPR-UHFFFAOYSA-N 1 0 401.554 4.221 20 30 HIEDRO N#CC(CC[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1)(c1ccccc1)c1ccccc1 ZINC000444640050 868925405 /nfs/dbraw/zinc/92/54/05/868925405.db2.gz MUOAIDUICDKMSW-QFIPXVFZSA-N 1 0 401.554 4.221 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)N(CC)[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000444648608 868929207 /nfs/dbraw/zinc/92/92/07/868929207.db2.gz JSIQXYPVZNOZRB-XXBNENTESA-N 1 0 420.557 4.292 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000445232647 869289920 /nfs/dbraw/zinc/28/99/20/869289920.db2.gz BLYCQJPRCVJBRW-UHFFFAOYSA-N 1 0 418.541 4.328 20 30 HIEDRO COc1cc(C#N)ccc1OCC[N@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445881873 869870479 /nfs/dbraw/zinc/87/04/79/869870479.db2.gz WTTXVJAFCWQWQH-KRWDZBQOSA-N 1 0 417.303 4.164 20 30 HIEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC000446004737 869968970 /nfs/dbraw/zinc/96/89/70/869968970.db2.gz WIBOWFLKYJEEJL-LKUPVBHCSA-N 1 0 404.432 4.243 20 30 HIEDRO N#Cc1cc(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)ccc1OCC(F)(F)F ZINC000468435243 882377541 /nfs/dbraw/zinc/37/75/41/882377541.db2.gz KZSBLSACARBAMM-UHFFFAOYSA-N 1 0 412.371 4.312 20 30 HIEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000447396697 871305812 /nfs/dbraw/zinc/30/58/12/871305812.db2.gz WUBGPZJPERPHQN-GOSISDBHSA-N 1 0 413.587 4.423 20 30 HIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447589412 871492230 /nfs/dbraw/zinc/49/22/30/871492230.db2.gz XSLWERCMDRXTAF-TUNPWDSISA-N 1 0 409.490 4.126 20 30 HIEDRO N#Cc1ccccc1OC1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447589411 871492865 /nfs/dbraw/zinc/49/28/65/871492865.db2.gz XSLWERCMDRXTAF-NTFDOXNWSA-N 1 0 409.490 4.126 20 30 HIEDRO CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C1CCC(Oc3ncccc3C#N)CC1)CCC2 ZINC000447590567 871497031 /nfs/dbraw/zinc/49/70/31/871497031.db2.gz DLUCEQQPFHIUKP-ACBHZAAOSA-N 1 0 423.513 4.389 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000448201661 872092068 /nfs/dbraw/zinc/09/20/68/872092068.db2.gz HURSEIZEHSIFJQ-PXDATVDWSA-N 1 0 415.537 4.226 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1)C(C)C ZINC000460130363 872611742 /nfs/dbraw/zinc/61/17/42/872611742.db2.gz XSWPLCZRBXWNAC-VQTJNVASSA-N 1 0 415.582 4.272 20 30 HIEDRO CC1=CC[N@H+](CCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000460232590 872819964 /nfs/dbraw/zinc/81/99/64/872819964.db2.gz PTVVFILWNZTCMS-UHFFFAOYSA-N 1 0 406.505 4.061 20 30 HIEDRO CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460283804 872872104 /nfs/dbraw/zinc/87/21/04/872872104.db2.gz OJSALGRXNBKIAK-CVDCTZTESA-N 1 0 414.557 4.326 20 30 HIEDRO CCn1c(-c2ccc(Cl)cc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460316229 872902894 /nfs/dbraw/zinc/90/28/94/872902894.db2.gz ZXTFWEOBUIYUMB-UHFFFAOYSA-N 1 0 420.948 4.202 20 30 HIEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460378826 873019069 /nfs/dbraw/zinc/01/90/69/873019069.db2.gz ZVBMJWDGRFFMIY-AZUAARDMSA-N 1 0 404.562 4.378 20 30 HIEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460380208 873021956 /nfs/dbraw/zinc/02/19/56/873021956.db2.gz MDWFNCILHIJNAU-PGRDOPGGSA-N 1 0 406.578 4.093 20 30 HIEDRO C=C(C)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460538977 873239045 /nfs/dbraw/zinc/23/90/45/873239045.db2.gz LGPRJJSXFXRSMW-CTNGQTDRSA-N 1 0 409.578 4.059 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460764996 873607049 /nfs/dbraw/zinc/60/70/49/873607049.db2.gz ADTZJCRAYAAHQG-APWZRJJASA-N 1 0 417.985 4.350 20 30 HIEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460794516 873661964 /nfs/dbraw/zinc/66/19/64/873661964.db2.gz XRZUHJITWZCAQV-UHFFFAOYSA-N 1 0 418.589 4.381 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460795365 873664241 /nfs/dbraw/zinc/66/42/41/873664241.db2.gz CNFOLLADHKZVTH-UHFFFAOYSA-N 1 0 424.376 4.272 20 30 HIEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460810552 873688933 /nfs/dbraw/zinc/68/89/33/873688933.db2.gz DADCBDPTWXBGIP-FPOVZHCZSA-N 1 0 406.578 4.024 20 30 HIEDRO N#C[C@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1ccc(Br)cc1 ZINC000468626120 882754275 /nfs/dbraw/zinc/75/42/75/882754275.db2.gz ZRVKFZXDBBIKGZ-IBGZPJMESA-N 1 0 407.271 4.004 20 30 HIEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000460935815 873836662 /nfs/dbraw/zinc/83/66/62/873836662.db2.gz WXRPMBKXCHTHIP-WOJBJXKFSA-N 1 0 402.546 4.015 20 30 HIEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460940031 873840879 /nfs/dbraw/zinc/84/08/79/873840879.db2.gz OLHCYPSZGQPMSW-UHFFFAOYSA-N 1 0 402.546 4.017 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460942813 873842735 /nfs/dbraw/zinc/84/27/35/873842735.db2.gz FBEDLNOVQFQDPY-NHCUHLMSSA-N 1 0 409.578 4.113 20 30 HIEDRO C=C(C)Cn1c(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)nnc1C(F)(F)Oc1ccccc1 ZINC000460950500 873848711 /nfs/dbraw/zinc/84/87/11/873848711.db2.gz QJFTZCMNAPZWFW-MSOLQXFVSA-N 1 0 417.504 4.046 20 30 HIEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460953354 873851673 /nfs/dbraw/zinc/85/16/73/873851673.db2.gz DXODKJRZVQPDIN-AZUAARDMSA-N 1 0 402.546 4.132 20 30 HIEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460961248 873858523 /nfs/dbraw/zinc/85/85/23/873858523.db2.gz SUDNNBWRCLMXSV-RXVVDRJESA-N 1 0 404.562 4.236 20 30 HIEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460962992 873859425 /nfs/dbraw/zinc/85/94/25/873859425.db2.gz MQRSTPKCHWIOLH-FPOVZHCZSA-N 1 0 406.578 4.166 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460964383 873861424 /nfs/dbraw/zinc/86/14/24/873861424.db2.gz STMOSQUVEXJONZ-UHFFFAOYSA-N 1 0 417.985 4.494 20 30 HIEDRO CC[NH+](CC)CCN(C(=O)c1ccc(C#N)c(C)n1)c1cccc(C(F)(F)F)c1 ZINC000461080762 873986947 /nfs/dbraw/zinc/98/69/47/873986947.db2.gz DEWIZQOYGISIOF-UHFFFAOYSA-N 1 0 404.436 4.269 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C ZINC000461427738 874462826 /nfs/dbraw/zinc/46/28/26/874462826.db2.gz QKDHOZZSBTWWGC-NRFANRHFSA-N 1 0 419.573 4.029 20 30 HIEDRO C=CCc1cc(C(=O)N2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1OC ZINC000461432743 874478433 /nfs/dbraw/zinc/47/84/33/874478433.db2.gz VJIXBCGUBYEKQN-FYYLOGMGSA-N 1 0 420.553 4.026 20 30 HIEDRO N#Cc1cccc(OCCCCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000461448170 874506327 /nfs/dbraw/zinc/50/63/27/874506327.db2.gz KFZXEHSLANGGOF-ZEQRLZLVSA-N 1 0 417.553 4.088 20 30 HIEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)[C@H](C)C1 ZINC000461478749 874536447 /nfs/dbraw/zinc/53/64/47/874536447.db2.gz KFMQHOZJHXJDRU-UTKZUKDTSA-N 1 0 420.586 4.093 20 30 HIEDRO C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)c1cccc(C#N)c1 ZINC000461797602 874912417 /nfs/dbraw/zinc/91/24/17/874912417.db2.gz LFFFVHGADJFEKQ-KRWDZBQOSA-N 1 0 415.459 4.415 20 30 HIEDRO C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cccc(C#N)c1 ZINC000462067417 875178986 /nfs/dbraw/zinc/17/89/86/875178986.db2.gz NDHNOYMYGVBFNJ-FOIQADDNSA-N 1 0 401.432 4.071 20 30 HIEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H](C)c1cccc(C#N)c1 ZINC000462237498 875350020 /nfs/dbraw/zinc/35/00/20/875350020.db2.gz LODOMZQGYXRXRR-CVDCTZTESA-N 1 0 413.525 4.252 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+]Cc2cc(Br)cc3c2OCC3)c1 ZINC000462550263 875673891 /nfs/dbraw/zinc/67/38/91/875673891.db2.gz LLRCLXAFYLSIDF-UHFFFAOYSA-N 1 0 401.304 4.356 20 30 HIEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)c2cn(CCCC#N)c3ccccc23)c1 ZINC000468934496 882999161 /nfs/dbraw/zinc/99/91/61/882999161.db2.gz JCKUNLCOABQUPP-UHFFFAOYSA-N 1 0 402.542 4.458 20 30 HIEDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000463121008 876163809 /nfs/dbraw/zinc/16/38/09/876163809.db2.gz UWCFESHTYSORIV-CQSZACIVSA-N 1 0 420.376 4.076 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@@H]2O)c1C ZINC000463195171 876254540 /nfs/dbraw/zinc/25/45/40/876254540.db2.gz VUCFLCSLHYDWHO-CJOZULMCSA-N 1 0 411.590 4.202 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000463774985 876895449 /nfs/dbraw/zinc/89/54/49/876895449.db2.gz KDAPOQIOJXWRHE-HRAATJIYSA-N 1 0 400.544 4.134 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469020816 883087856 /nfs/dbraw/zinc/08/78/56/883087856.db2.gz QPUWBZPOJSJSKV-UHFFFAOYSA-N 1 0 413.525 4.021 20 30 HIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000464608675 877836368 /nfs/dbraw/zinc/83/63/68/877836368.db2.gz KJQMCMQUEVXFJD-JKSUJKDBSA-N 1 0 413.591 4.488 20 30 HIEDRO C=C(C)C[C@@H](C)C(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000464648566 877869069 /nfs/dbraw/zinc/86/90/69/877869069.db2.gz FYNUVOQHRIQBLA-GOSISDBHSA-N 1 0 411.512 4.326 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)CN2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c1C ZINC000464839128 878102619 /nfs/dbraw/zinc/10/26/19/878102619.db2.gz OZJVSRHIKLNEGC-QFIPXVFZSA-N 1 0 418.585 4.147 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000503380471 912363433 /nfs/dbraw/zinc/36/34/33/912363433.db2.gz ZLXPUBJLBOQVAS-UHFFFAOYSA-N 1 0 406.408 4.053 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000465395802 878833081 /nfs/dbraw/zinc/83/30/81/878833081.db2.gz ALVVSAWKUGGYTJ-BHIFYINESA-N 1 0 406.530 4.288 20 30 HIEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000465553223 879018663 /nfs/dbraw/zinc/01/86/63/879018663.db2.gz QNBRSDRTPHHMJF-RPBOFIJWSA-N 1 0 416.569 4.441 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccccc2)[C@@H](C)Cc2ccccc2OC)CC1 ZINC000465875615 879527377 /nfs/dbraw/zinc/52/73/77/879527377.db2.gz SPRHTQCTOWCPFU-NRFANRHFSA-N 1 0 421.585 4.488 20 30 HIEDRO N#Cc1ccc(F)c(CNC(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1 ZINC000465889834 879545703 /nfs/dbraw/zinc/54/57/03/879545703.db2.gz JAHNSMZQVISERI-HXUWFJFHSA-N 1 0 414.912 4.205 20 30 HIEDRO COCCC[N@H+](C)CCNC(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000466089679 879808506 /nfs/dbraw/zinc/80/85/06/879808506.db2.gz WPNLVMHQGRFYIQ-FQEVSTJZSA-N 1 0 414.937 4.085 20 30 HIEDRO COc1ccc(C2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)cc1 ZINC000467175618 880904973 /nfs/dbraw/zinc/90/49/73/880904973.db2.gz JPMQSKSPDTXSFN-UHFFFAOYSA-N 1 0 409.555 4.325 20 30 HIEDRO N#Cc1ccccc1OCC[N@@H+](Cc1cccc(Br)c1)C1CCOCC1 ZINC000467301413 881049596 /nfs/dbraw/zinc/04/95/96/881049596.db2.gz NKLKVXNOUGJWAW-UHFFFAOYSA-N 1 0 415.331 4.381 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)CSc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000469489754 883727411 /nfs/dbraw/zinc/72/74/11/883727411.db2.gz KQBUKQNPQMMGTN-GOSISDBHSA-N 1 0 407.461 4.088 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)CSCc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000469496750 883740342 /nfs/dbraw/zinc/74/03/42/883740342.db2.gz YSGSQOJBTWYAFY-LJQANCHMSA-N 1 0 421.488 4.229 20 30 HIEDRO CCOc1cc(Cl)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000469653836 883850842 /nfs/dbraw/zinc/85/08/42/883850842.db2.gz UUJOJMMDLPWEAH-UHFFFAOYSA-N 1 0 400.910 4.206 20 30 HIEDRO COc1cccc(CN(CC[NH+](C)C)C(=O)c2cn(CCCC#N)c3ccccc23)c1 ZINC000469837872 884019403 /nfs/dbraw/zinc/01/94/03/884019403.db2.gz GFCONAKNKHWEOJ-UHFFFAOYSA-N 1 0 418.541 4.158 20 30 HIEDRO Cc1ccc2nc(CSCC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)cn2c1 ZINC000503822071 912831387 /nfs/dbraw/zinc/83/13/87/912831387.db2.gz BCKWUFWHPXGJFJ-UHFFFAOYSA-N 1 0 402.523 4.064 20 30 HIEDRO N#Cc1ccc(CN2CCN(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC2)cc1 ZINC000503822803 912831736 /nfs/dbraw/zinc/83/17/36/912831736.db2.gz XMJNDSYWMGZULA-AREMUKBSSA-N 1 0 424.548 4.369 20 30 HIEDRO N#CCCN(C(=O)C[N@@H+]1CC[C@@H](COCc2ccccc2)C1)c1cccc(Cl)c1 ZINC000470212290 884532790 /nfs/dbraw/zinc/53/27/90/884532790.db2.gz SOWRQWUOOJZESN-HXUWFJFHSA-N 1 0 411.933 4.125 20 30 HIEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 ZINC000470239862 884568301 /nfs/dbraw/zinc/56/83/01/884568301.db2.gz XMJMMNXSXZQHGQ-NRFANRHFSA-N 1 0 403.526 4.349 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471169508 885725748 /nfs/dbraw/zinc/72/57/48/885725748.db2.gz OXOIMOQFBILCHW-TZIWHRDSSA-N 1 0 422.598 4.478 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCCN(c2ccccc2)C1 ZINC000471169982 885727368 /nfs/dbraw/zinc/72/73/68/885727368.db2.gz PJSFQLAPQFIITN-GOSISDBHSA-N 1 0 408.571 4.038 20 30 HIEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)CSCc2ccc(C#N)cc2)CC1 ZINC000471233373 885807859 /nfs/dbraw/zinc/80/78/59/885807859.db2.gz JOJHGKKEZNXVNU-UHFFFAOYSA-N 1 0 422.598 4.208 20 30 HIEDRO C=C(C)CN(Cc1ccccc1)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000471497428 886199071 /nfs/dbraw/zinc/19/90/71/886199071.db2.gz WRLRDEWYJZLZSK-NRFANRHFSA-N 1 0 411.546 4.094 20 30 HIEDRO Cn1cc(C[NH2+]CC2(CCOCc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000472056178 886867345 /nfs/dbraw/zinc/86/73/45/886867345.db2.gz ZYTGXYPWOPPECH-UHFFFAOYSA-N 1 0 400.526 4.435 20 30 HIEDRO N#CCCn1cc(C(=O)C[N@@H+](CCCO)[C@H]2CCc3ccccc32)c2ccccc21 ZINC000472230130 887035379 /nfs/dbraw/zinc/03/53/79/887035379.db2.gz NYYDHZVNQBNMIU-DEOSSOPVSA-N 1 0 401.510 4.110 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472442653 887292311 /nfs/dbraw/zinc/29/23/11/887292311.db2.gz BXMNHVRDRTXNHT-UHFFFAOYSA-N 1 0 401.498 4.251 20 30 HIEDRO Cc1nsc(N2CCC[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)CC2)n1 ZINC000472586583 887465412 /nfs/dbraw/zinc/46/54/12/887465412.db2.gz PCJWFSBUNWQPIM-UHFFFAOYSA-N 1 0 417.582 4.259 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2)cc1 ZINC000504309892 913158676 /nfs/dbraw/zinc/15/86/76/913158676.db2.gz LOKBQXOJXZQLSR-VXKWHMMOSA-N 1 0 404.514 4.080 20 30 HIEDRO C=CCOc1ccc(C(=O)Nc2ccccc2N2CCC(C[NH+](C)C)CC2)cc1OC ZINC000473248852 888014635 /nfs/dbraw/zinc/01/46/35/888014635.db2.gz JOGRTUIZKCMPFT-UHFFFAOYSA-N 1 0 423.557 4.290 20 30 HIEDRO C=CCOc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1OC ZINC000473493899 888215243 /nfs/dbraw/zinc/21/52/43/888215243.db2.gz GCGWDVFEASIFGF-AREMUKBSSA-N 1 0 420.553 4.388 20 30 HIEDRO Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000504434116 913245517 /nfs/dbraw/zinc/24/55/17/913245517.db2.gz BGRAARIIJMEDAX-OAQYLSRUSA-N 1 0 408.546 4.247 20 30 HIEDRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)c2)CC1 ZINC000473825598 888658427 /nfs/dbraw/zinc/65/84/27/888658427.db2.gz CPAYKWYHWNXZQU-BJKOFHAPSA-N 1 0 417.557 4.132 20 30 HIEDRO COc1ccc(CC2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)cc1 ZINC000504521163 913303747 /nfs/dbraw/zinc/30/37/47/913303747.db2.gz JADUVVUTMKBZJW-LJQANCHMSA-N 1 0 423.532 4.424 20 30 HIEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)c1ccc(C(C)(C)C#N)cc1)c1ccccc1O2 ZINC000474787832 889645356 /nfs/dbraw/zinc/64/53/56/889645356.db2.gz MYJMKLDRDJTYRB-NRFANRHFSA-N 1 0 403.526 4.206 20 30 HIEDRO COc1ccccc1[C@@H](CNC(=O)C[C@@H](CC#N)c1ccccc1)[NH+]1CCCCC1 ZINC000475025925 889878765 /nfs/dbraw/zinc/87/87/65/889878765.db2.gz ZIQVXKXTECMOPX-FYYLOGMGSA-N 1 0 405.542 4.426 20 30 HIEDRO COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1OC ZINC000475084711 889931320 /nfs/dbraw/zinc/93/13/20/889931320.db2.gz AULDDTLEBLMZBM-FBIZOPLVSA-N 1 0 409.530 4.442 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CC[C@@H](c4cccc(F)c4)C3)CC2)cc1 ZINC000475396497 890323956 /nfs/dbraw/zinc/32/39/56/890323956.db2.gz IJMVYEQAPSZPIN-VWNXMTODSA-N 1 0 420.532 4.251 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000475561296 890490938 /nfs/dbraw/zinc/49/09/38/890490938.db2.gz LREOSXXRWLDVHN-QFIPXVFZSA-N 1 0 407.558 4.427 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000475567644 890498019 /nfs/dbraw/zinc/49/80/19/890498019.db2.gz LIHNLYIHQNRDHU-RUZDIDTESA-N 1 0 407.558 4.297 20 30 HIEDRO Cc1nc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)sc1SCC#N ZINC000504836792 913556965 /nfs/dbraw/zinc/55/69/65/913556965.db2.gz JNIRRWJZFRVFME-OAHLLOKOSA-N 1 0 404.536 4.057 20 30 HIEDRO C=C(C)[C@@H](NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000476948238 891885712 /nfs/dbraw/zinc/88/57/12/891885712.db2.gz CDIXHVJTSLCZKO-WMZHIEFXSA-N 1 0 413.512 4.446 20 30 HIEDRO C=C(C)[C@H](NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000476948240 891886633 /nfs/dbraw/zinc/88/66/33/891886633.db2.gz CDIXHVJTSLCZKO-XXBNENTESA-N 1 0 413.512 4.446 20 30 HIEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000477137184 892064458 /nfs/dbraw/zinc/06/44/58/892064458.db2.gz LKOZNBAPNFMHNT-QFIPXVFZSA-N 1 0 404.558 4.491 20 30 HIEDRO C=C(C)[C@@H](NC(=O)N1CCC(OCC[NH+](CC)CC)CC1)c1ccc(F)c(F)c1 ZINC000477750691 892843338 /nfs/dbraw/zinc/84/33/38/892843338.db2.gz ZNEBQYPFGLVQSQ-OAQYLSRUSA-N 1 0 409.521 4.114 20 30 HIEDRO N#Cc1cccc(OCCC[NH2+]C2(c3ccc(Br)cc3)CCOCC2)c1 ZINC000477763591 892852002 /nfs/dbraw/zinc/85/20/02/892852002.db2.gz YXJHYVRBGAPXCG-UHFFFAOYSA-N 1 0 415.331 4.385 20 30 HIEDRO CC(C)Oc1ccc([C@H](CNC(=O)Nc2ccc(C#N)cc2Cl)[NH+](C)C)cc1 ZINC000478120712 893292006 /nfs/dbraw/zinc/29/20/06/893292006.db2.gz OTCSRSSKAWKBQV-FQEVSTJZSA-N 1 0 400.910 4.423 20 30 HIEDRO Cn1cc(C[NH2+]C2CCC(Oc3ccccc3C#N)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000478234766 893397131 /nfs/dbraw/zinc/39/71/31/893397131.db2.gz RWBPTKIARBRXBW-UHFFFAOYSA-N 1 0 411.509 4.310 20 30 HIEDRO CC(C)(CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C[NH+]1CCCC1 ZINC000478412526 893701977 /nfs/dbraw/zinc/70/19/77/893701977.db2.gz DCOMXIIUHZXRAW-UHFFFAOYSA-N 1 0 419.529 4.054 20 30 HIEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2C#N)[C@@H]2CCCC[C@H]12 ZINC000479110070 894377468 /nfs/dbraw/zinc/37/74/68/894377468.db2.gz ZRGUMFUYGNDVIV-HUTZZIEHSA-N 1 0 424.589 4.071 20 30 HIEDRO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479210435 894474055 /nfs/dbraw/zinc/47/40/55/894474055.db2.gz CSNUBVIWFZDCEN-PUHATCMVSA-N 1 0 411.590 4.138 20 30 HIEDRO CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479210434 894474537 /nfs/dbraw/zinc/47/45/37/894474537.db2.gz CSNUBVIWFZDCEN-MZYLBHOOSA-N 1 0 411.590 4.138 20 30 HIEDRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479254138 894521030 /nfs/dbraw/zinc/52/10/30/894521030.db2.gz WTOSNUWBZXWZLR-QGZVFWFLSA-N 1 0 413.974 4.495 20 30 HIEDRO N#CC1(NC(=O)CCSc2ccc(Cl)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479276601 894552256 /nfs/dbraw/zinc/55/22/56/894552256.db2.gz GQTCMJNCMHGJKA-UHFFFAOYSA-N 1 0 413.974 4.497 20 30 HIEDRO COC1CC[NH+](C(C)(C)CNC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000479687929 894975354 /nfs/dbraw/zinc/97/53/54/894975354.db2.gz PDSWMHFIRUJNGB-UHFFFAOYSA-N 1 0 423.582 4.329 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000479697657 894989678 /nfs/dbraw/zinc/98/96/78/894989678.db2.gz YJDZQPKCMBIJDA-OYRHEFFESA-N 1 0 403.615 4.310 20 30 HIEDRO COc1ccc(C[N@@H+]2CCCN(Cc3ccc(OC)c(OCCCC#N)c3)CC2)cc1 ZINC000505273282 913929593 /nfs/dbraw/zinc/92/95/93/913929593.db2.gz OJDWZIVIEBWCDL-UHFFFAOYSA-N 1 0 423.557 4.094 20 30 HIEDRO COc1ccc([C@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000479817448 895131174 /nfs/dbraw/zinc/13/11/74/895131174.db2.gz JSCHVAVLPFQZBM-QHCPKHFHSA-N 1 0 421.541 4.068 20 30 HIEDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000479894850 895241497 /nfs/dbraw/zinc/24/14/97/895241497.db2.gz WAKLBHKPTFMJLQ-UHFFFAOYSA-N 1 0 410.525 4.110 20 30 HIEDRO COc1ccccc1SC[C@H](C)C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000480001104 895354806 /nfs/dbraw/zinc/35/48/06/895354806.db2.gz WTILRPIBEDFVPB-QGZVFWFLSA-N 1 0 406.555 4.485 20 30 HIEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)c1nc2c(c(C#N)c1C#N)CCCCCC2 ZINC000480171657 895562106 /nfs/dbraw/zinc/56/21/06/895562106.db2.gz QKPCERPNHHHVIC-CYFREDJKSA-N 1 0 414.557 4.008 20 30 HIEDRO OC1(Cc2ccc(F)cc2)CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000481618504 897001729 /nfs/dbraw/zinc/00/17/29/897001729.db2.gz BQJOEOBAMJIHRE-UHFFFAOYSA-N 1 0 407.407 4.145 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1ccc2ccccc2c1 ZINC000505453985 914122087 /nfs/dbraw/zinc/12/20/87/914122087.db2.gz RYAOILQZFARSIU-UHFFFAOYSA-N 1 0 400.526 4.027 20 30 HIEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)cc1 ZINC000481759462 897148268 /nfs/dbraw/zinc/14/82/68/897148268.db2.gz XALKSBJMAVAHJH-LJQANCHMSA-N 1 0 402.267 4.139 20 30 HIEDRO N#Cc1ccc(SCC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000481864193 897232274 /nfs/dbraw/zinc/23/22/74/897232274.db2.gz NRVJEHZLGCIVFA-GMAHTHKFSA-N 1 0 405.567 4.163 20 30 HIEDRO COc1cc(I)c(Cl)cc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000482004308 897400799 /nfs/dbraw/zinc/40/07/99/897400799.db2.gz VWZSIFPOEVZNRK-JQWIXIFHSA-N 1 0 404.679 4.125 20 30 HIEDRO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000482262458 897747100 /nfs/dbraw/zinc/74/71/00/897747100.db2.gz CKDOMNFFAFUTPY-IGKWTDBASA-N 1 0 402.542 4.315 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](C3CCCCC3)C(F)(F)F)CC2)cc1 ZINC000482282667 897777027 /nfs/dbraw/zinc/77/70/27/897777027.db2.gz NHFDSMQHQZLEGP-FQEVSTJZSA-N 1 0 422.495 4.287 20 30 HIEDRO N#CC1(NC(=O)CCCCC(=O)c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000482605260 898206217 /nfs/dbraw/zinc/20/62/17/898206217.db2.gz LUICLMHBHMAOBT-UHFFFAOYSA-N 1 0 403.526 4.104 20 30 HIEDRO N#CC1(NC(=O)CCn2ccc3cc(Cl)ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000482662361 898265695 /nfs/dbraw/zinc/26/56/95/898265695.db2.gz VGWMGRQRAIXLRF-UHFFFAOYSA-N 1 0 420.944 4.359 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C[C@@H](c1ccccc1)C(F)(F)F ZINC000482812085 898423242 /nfs/dbraw/zinc/42/32/42/898423242.db2.gz LDKPTSKCDFUMER-FQEVSTJZSA-N 1 0 403.448 4.185 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 ZINC000482854542 898465123 /nfs/dbraw/zinc/46/51/23/898465123.db2.gz BWMOEQRKVGEHIU-UHFFFAOYSA-N 1 0 417.431 4.449 20 30 HIEDRO C=CCOc1ccccc1C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000482866719 898479554 /nfs/dbraw/zinc/47/95/54/898479554.db2.gz MOJUSQPWDSFGEH-LJQANCHMSA-N 1 0 414.571 4.277 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(O)(Cc2cccc(C)c2)CC1 ZINC000482927207 898548456 /nfs/dbraw/zinc/54/84/56/898548456.db2.gz LGCWKGXPFVAYBL-HXUWFJFHSA-N 1 0 412.599 4.029 20 30 HIEDRO CO[C@@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000483025955 898685731 /nfs/dbraw/zinc/68/57/31/898685731.db2.gz ZFNJKYIUHGWLRU-QHCPKHFHSA-N 1 0 400.567 4.311 20 30 HIEDRO C[NH+](C)CCn1ncc(C(=O)Nc2cccc(OCCCC#N)c2)c1-c1ccccc1 ZINC000483084722 898769944 /nfs/dbraw/zinc/76/99/44/898769944.db2.gz TVMAPEGRSISOJI-UHFFFAOYSA-N 1 0 417.513 4.047 20 30 HIEDRO N#CCc1ccc(C[NH2+][C@H](CO)c2ccc(Br)cc2C(F)(F)F)cc1 ZINC000483235369 898879873 /nfs/dbraw/zinc/87/98/73/898879873.db2.gz LHHUPHPAERLYOF-QGZVFWFLSA-N 1 0 413.237 4.357 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CC[C@H](c4ccccc4F)C3)CC2)cc1 ZINC000483383942 899017742 /nfs/dbraw/zinc/01/77/42/899017742.db2.gz QUICVTDPJZSJOE-VXKWHMMOSA-N 1 0 420.532 4.251 20 30 HIEDRO CS[C@@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@H]1[NH+]1CCCC1 ZINC000483392694 899027217 /nfs/dbraw/zinc/02/72/17/899027217.db2.gz IQLMMQVILZWKMF-DHIUTWEWSA-N 1 0 421.566 4.197 20 30 HIEDRO CS[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)C[C@H]1[NH+]1CCCC1 ZINC000483393458 899027381 /nfs/dbraw/zinc/02/73/81/899027381.db2.gz JPCVBXHHUNWJIK-KNQAVFIVSA-N 1 0 407.539 4.002 20 30 HIEDRO COc1ccc(C[NH+]2CCC(c3noc(-c4ccccc4OC)n3)CC2)cc1C#N ZINC000483445575 899081119 /nfs/dbraw/zinc/08/11/19/899081119.db2.gz YPUSRXUXNQGRBN-UHFFFAOYSA-N 1 0 404.470 4.005 20 30 HIEDRO C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505636355 914335478 /nfs/dbraw/zinc/33/54/78/914335478.db2.gz OZRTXOLAZZTBEU-HXOBKFHXSA-N 1 0 400.482 4.167 20 30 HIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000483781855 899448022 /nfs/dbraw/zinc/44/80/22/899448022.db2.gz GFLXNHJAJUMSLA-UHFFFAOYSA-N 1 0 414.619 4.230 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc3ccn(Cc4cccc(OC)c4)c3c2)CC1 ZINC000484165338 899785281 /nfs/dbraw/zinc/78/52/81/899785281.db2.gz YPPVNCGYAHFNTO-UHFFFAOYSA-N 1 0 418.541 4.470 20 30 HIEDRO C[NH+](C)C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccc(F)cc1 ZINC000484471219 899965357 /nfs/dbraw/zinc/96/53/57/899965357.db2.gz VXYQJJMTEQWETM-MRXNPFEDSA-N 1 0 410.371 4.020 20 30 HIEDRO N#Cc1cnc2ccccc2c1NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000484830139 900232807 /nfs/dbraw/zinc/23/28/07/900232807.db2.gz QFRIKFSYDUXHLW-UHFFFAOYSA-N 1 0 400.526 4.012 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2C(C)C)CC1 ZINC000485191131 900485007 /nfs/dbraw/zinc/48/50/07/900485007.db2.gz IBHQRVDDBLJLTA-UHFFFAOYSA-N 1 0 401.942 4.421 20 30 HIEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000485524119 900806339 /nfs/dbraw/zinc/80/63/39/900806339.db2.gz WFJCKDSLZMZGML-PXNSSMCTSA-N 1 0 420.561 4.132 20 30 HIEDRO CC[C@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)c1cc(F)cc(Br)c1 ZINC000485827053 901073586 /nfs/dbraw/zinc/07/35/86/901073586.db2.gz YVSXPTVXVPIIPF-DYVFJYSZSA-N 1 0 410.331 4.360 20 30 HIEDRO C[C@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc2ncsc2c1 ZINC000485830886 901078076 /nfs/dbraw/zinc/07/80/76/901078076.db2.gz GECOYJPGKYIHPR-AWEZNQCLSA-N 1 0 417.456 4.134 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@H+](CCO)Cc2ccccc2)cc1OC ZINC000505887118 914531085 /nfs/dbraw/zinc/53/10/85/914531085.db2.gz SGPUCPCWGIQOBO-UHFFFAOYSA-N 1 0 406.320 4.017 20 30 HIEDRO CC(C)[C@H]1CN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[N@@H+]1C ZINC000486245676 901428202 /nfs/dbraw/zinc/42/82/02/901428202.db2.gz SDQOBQNBKBMPPY-HSZRJFAPSA-N 1 0 406.530 4.136 20 30 HIEDRO N#CCCCOc1cccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)c1 ZINC000486460932 901620834 /nfs/dbraw/zinc/62/08/34/901620834.db2.gz BSHKABATDRRPPZ-HYBUGGRVSA-N 1 0 406.530 4.258 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1C#N ZINC000505935919 914587510 /nfs/dbraw/zinc/58/75/10/914587510.db2.gz QWILGVPSAGWLKP-DLBZAZTESA-N 1 0 412.603 4.279 20 30 HIEDRO N#Cc1ccc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)s1 ZINC000487782653 902362758 /nfs/dbraw/zinc/36/27/58/902362758.db2.gz KFVFTLBDILKNLV-INIZCTEOSA-N 1 0 407.461 4.146 20 30 HIEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)o2)cc1 ZINC000487953796 902480339 /nfs/dbraw/zinc/48/03/39/902480339.db2.gz UKZJABYXSUFFIH-OAQYLSRUSA-N 1 0 421.541 4.458 20 30 HIEDRO Cc1ccc2ncc(C#N)c(N(C)CCC3CC[NH+](C4CCN(C)CC4)CC3)c2c1 ZINC000488126698 902624631 /nfs/dbraw/zinc/62/46/31/902624631.db2.gz NJTWIULMNYRILV-UHFFFAOYSA-N 1 0 405.590 4.047 20 30 HIEDRO N#Cc1cnc2c(F)cc(F)cc2c1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000488239045 902714324 /nfs/dbraw/zinc/71/43/24/902714324.db2.gz AKHPWIDSVCTRAR-UHFFFAOYSA-N 1 0 408.452 4.471 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000488327465 902766607 /nfs/dbraw/zinc/76/66/07/902766607.db2.gz SXEIIAHAEXXHBN-KRWDZBQOSA-N 1 0 414.619 4.023 20 30 HIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]C3CC(c4ccc(C(F)(F)F)cc4)C3)C2=O)cc1 ZINC000488485884 902849349 /nfs/dbraw/zinc/84/93/49/902849349.db2.gz ZCYSNIGPTZANTK-MNLRITNHSA-N 1 0 413.443 4.214 20 30 HIEDRO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Br)c1 ZINC000488499381 902857107 /nfs/dbraw/zinc/85/71/07/902857107.db2.gz OGVMKXVIBONVGS-WOJBJXKFSA-N 1 0 412.331 4.163 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)c1cc(C)c(C(=O)OC)o1 ZINC000488559838 902883240 /nfs/dbraw/zinc/88/32/40/902883240.db2.gz JBKUQDHAUTXZJE-MRXNPFEDSA-N 1 0 418.563 4.034 20 30 HIEDRO Cn1cc(C[N@H+](C)Cc2cccc(OC(F)(F)F)c2)c(-c2ccc(C#N)cc2)n1 ZINC000490538432 904085163 /nfs/dbraw/zinc/08/51/63/904085163.db2.gz DRTQCIXITZXDQM-UHFFFAOYSA-N 1 0 400.404 4.489 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000491041315 904391937 /nfs/dbraw/zinc/39/19/37/904391937.db2.gz UFGKBYJHQGHTSL-NRFANRHFSA-N 1 0 413.566 4.290 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000492076870 904789640 /nfs/dbraw/zinc/78/96/40/904789640.db2.gz BHLCEMWRDMSYED-OFNKIYASSA-N 1 0 404.514 4.004 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@@H]2c2nc(-c3ccccc3)no2)CC1 ZINC000492274907 904827625 /nfs/dbraw/zinc/82/76/25/904827625.db2.gz WRGNPDPFRHSDNV-HXUWFJFHSA-N 1 0 409.534 4.014 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000492402531 904845198 /nfs/dbraw/zinc/84/51/98/904845198.db2.gz SQINCTJMXCOZAS-QHCPKHFHSA-N 1 0 423.605 4.116 20 30 HIEDRO C[C@H](NCc1ccccc1C[NH+]1CCCCC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000492661423 904884243 /nfs/dbraw/zinc/88/42/43/904884243.db2.gz RAZRKFZYEYDIJB-KRWDZBQOSA-N 1 0 422.598 4.211 20 30 HIEDRO N#Cc1cc(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)ccc1F ZINC000493888925 905248266 /nfs/dbraw/zinc/24/82/66/905248266.db2.gz QPZQIPUJLKEZOY-CQSZACIVSA-N 1 0 403.383 4.138 20 30 HIEDRO CN1C(=O)C[C@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493915537 905268509 /nfs/dbraw/zinc/26/85/09/905268509.db2.gz DVPHKPCMLJDMJJ-LPHOPBHVSA-N 1 0 423.822 4.014 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3c(Cl)cccc3Cl)CC2)cc1 ZINC000493986806 905331091 /nfs/dbraw/zinc/33/10/91/905331091.db2.gz HHDQVKYEZYVPJI-UHFFFAOYSA-N 1 0 402.325 4.142 20 30 HIEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000512427004 921154690 /nfs/dbraw/zinc/15/46/90/921154690.db2.gz KARNKXKQZBZZJW-UHFFFAOYSA-N 1 0 405.505 4.491 20 30 HIEDRO CN(CCCn1ccnc1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000494236753 905563816 /nfs/dbraw/zinc/56/38/16/905563816.db2.gz GBDSLBYSWBVKGA-UHFFFAOYSA-N 1 0 403.486 4.082 20 30 HIEDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000512443732 921164317 /nfs/dbraw/zinc/16/43/17/921164317.db2.gz GOEDTNORORFDBK-QHCPKHFHSA-N 1 0 405.542 4.121 20 30 HIEDRO Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1C(=O)N(C)C(C)C ZINC000494455891 905737313 /nfs/dbraw/zinc/73/73/13/905737313.db2.gz WEYIKOSBGIACQF-UHFFFAOYSA-N 1 0 404.558 4.424 20 30 HIEDRO N#CCCN(C(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000494455923 905737520 /nfs/dbraw/zinc/73/75/20/905737520.db2.gz WLPWHEXLGYZYCQ-PZJWPPBQSA-N 1 0 418.324 4.360 20 30 HIEDRO Cc1cc(Br)cc2c1[C@@H]([NH2+][C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 ZINC000494481412 905763517 /nfs/dbraw/zinc/76/35/17/905763517.db2.gz GNMGQWCIHNOSQN-PMACEKPBSA-N 1 0 424.342 4.007 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000494515929 905807156 /nfs/dbraw/zinc/80/71/56/905807156.db2.gz ZTWUZUBWBZNXKW-JHVJFLLYSA-N 1 0 415.896 4.234 20 30 HIEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cccc(F)c2C#N)CC1 ZINC000494844169 906033747 /nfs/dbraw/zinc/03/37/47/906033747.db2.gz GEQCHOSXBHMTAW-UHFFFAOYSA-N 1 0 419.422 4.453 20 30 HIEDRO CC(C)c1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1[N+](=O)[O-] ZINC000512591834 921252410 /nfs/dbraw/zinc/25/24/10/921252410.db2.gz ZXDVCTNZGASCFV-UHFFFAOYSA-N 1 0 406.486 4.441 20 30 HIEDRO N#C[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1cccc(Br)c1 ZINC000496263439 906642606 /nfs/dbraw/zinc/64/26/06/906642606.db2.gz OJVLNQPYUDTQFL-LJQANCHMSA-N 1 0 407.271 4.004 20 30 HIEDRO N#C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1cccc(Br)c1 ZINC000496274790 906646997 /nfs/dbraw/zinc/64/69/97/906646997.db2.gz YZXPUAQHTOJVBS-FQEVSTJZSA-N 1 0 412.331 4.042 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ncc(Cc3ccc(Cl)cc3C)s2)CC1 ZINC000496429968 906679330 /nfs/dbraw/zinc/67/93/30/906679330.db2.gz SEQGPLXKDYEZEE-UHFFFAOYSA-N 1 0 404.967 4.468 20 30 HIEDRO COc1ccc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1OCCCC#N ZINC000497197748 906819300 /nfs/dbraw/zinc/81/93/00/906819300.db2.gz HJILDRACKINDAX-UHFFFAOYSA-N 1 0 422.451 4.430 20 30 HIEDRO CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000497593377 907075064 /nfs/dbraw/zinc/07/50/64/907075064.db2.gz AUYCSISQESUVGU-AVRDEDQJSA-N 1 0 419.525 4.076 20 30 HIEDRO CC[N@H+](CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000497599745 907079350 /nfs/dbraw/zinc/07/93/50/907079350.db2.gz KPXQRNAZLLLUPL-QZTJIDSGSA-N 1 0 409.530 4.144 20 30 HIEDRO CC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497620019 907099447 /nfs/dbraw/zinc/09/94/47/907099447.db2.gz MALJFIDIBQZUGX-QGZVFWFLSA-N 1 0 413.443 4.128 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000512769468 921304489 /nfs/dbraw/zinc/30/44/89/921304489.db2.gz VBFMCXBKUQKLMC-SFHVURJKSA-N 1 0 404.514 4.218 20 30 HIEDRO COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccccc3C[NH+](C)C)c2)c1 ZINC000498010060 907499757 /nfs/dbraw/zinc/49/97/57/907499757.db2.gz XOBBMCNUBLCFQP-UHFFFAOYSA-N 1 0 412.489 4.187 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1C ZINC000498372467 907863531 /nfs/dbraw/zinc/86/35/31/907863531.db2.gz IYBBXMDSAWAKQC-HSZRJFAPSA-N 1 0 421.589 4.321 20 30 HIEDRO C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498701923 908126231 /nfs/dbraw/zinc/12/62/31/908126231.db2.gz HUEKCVPXPXHJDZ-WMZHIEFXSA-N 1 0 402.542 4.143 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+](Cc2cccc(O)c2)CC2CC2)sc2c1CCCC2 ZINC000499074242 908438788 /nfs/dbraw/zinc/43/87/88/908438788.db2.gz HOZXFBBHEIABOI-UHFFFAOYSA-N 1 0 409.555 4.445 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000499194578 908549297 /nfs/dbraw/zinc/54/92/97/908549297.db2.gz PLFUBALSEHLXJN-REWPJTCUSA-N 1 0 409.578 4.215 20 30 HIEDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C[C@@H]1C ZINC000499592626 908849935 /nfs/dbraw/zinc/84/99/35/908849935.db2.gz PWLMHRLZZFCAJV-OALUTQOASA-N 1 0 406.530 4.278 20 30 HIEDRO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2sc(-c3ccc(Br)cc3)nc2C)C1=O ZINC000499629379 908861256 /nfs/dbraw/zinc/86/12/56/908861256.db2.gz ZRJWLMJRWRJVKP-BLLLJJGKSA-N 1 0 420.376 4.319 20 30 HIEDRO C=CCOc1ccc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1Cl ZINC000512989341 921457092 /nfs/dbraw/zinc/45/70/92/921457092.db2.gz SNUDUDJRDNBXGI-UHFFFAOYSA-N 1 0 408.329 4.281 20 30 HIEDRO COc1cc(C[NH2+]Cc2ccc(I)c(Cl)c2)ccc1C#N ZINC000500446527 909864382 /nfs/dbraw/zinc/86/43/82/909864382.db2.gz GDVNNBFECKFXHY-UHFFFAOYSA-N 1 0 412.658 4.115 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](Oc2ccc(F)c(Cl)c2)c2ccccc2)CC1 ZINC000500742105 910052438 /nfs/dbraw/zinc/05/24/38/910052438.db2.gz HIOXULPFRRDNIK-NRFANRHFSA-N 1 0 402.897 4.366 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC(CCC[NH+](C)C)CC2)c1C#N ZINC000501784893 910839441 /nfs/dbraw/zinc/83/94/41/910839441.db2.gz JXEIJGHYYHBGHB-UHFFFAOYSA-N 1 0 413.610 4.084 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc2n[nH]cc2c1 ZINC000513210394 921625938 /nfs/dbraw/zinc/62/59/38/921625938.db2.gz PGWLPHWTOCDQEX-AWEZNQCLSA-N 1 0 407.543 4.444 20 30 HIEDRO C[C@@H](c1nc(-c2cccs2)no1)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502205053 911149891 /nfs/dbraw/zinc/14/98/91/911149891.db2.gz IAEINJITTYAMDN-AWEZNQCLSA-N 1 0 407.499 4.081 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)N[C@H](C[NH+]3CCCC3)c3ccccc3)CC2)cc1 ZINC000502284193 911237410 /nfs/dbraw/zinc/23/74/10/911237410.db2.gz XPXDJMRMPYMNRJ-XMMPIXPASA-N 1 0 400.526 4.194 20 30 HIEDRO C/C=C\c1ccc(OC[C@H](O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000502507459 911511434 /nfs/dbraw/zinc/51/14/34/911511434.db2.gz OEFJWEZYFJQDEO-GYLQWBMOSA-N 1 0 404.510 4.129 20 30 HIEDRO CCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000502933930 911918986 /nfs/dbraw/zinc/91/89/86/911918986.db2.gz DMETYZSNZVIZJH-QGZVFWFLSA-N 1 0 403.486 4.238 20 30 HIEDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)ccc1OCc1cccc(C#N)c1 ZINC000503077359 912048044 /nfs/dbraw/zinc/04/80/44/912048044.db2.gz UEIOKOFSQKOVHZ-AUSIDOKSSA-N 1 0 416.525 4.425 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccncc2)c1C#N ZINC000503146318 912109574 /nfs/dbraw/zinc/10/95/74/912109574.db2.gz MRPDFNRXUQMWNL-JOCHJYFZSA-N 1 0 417.513 4.179 20 30 HIEDRO N#Cc1ccc(CN2CCC[N@H+](Cc3ccc(OCc4ccccn4)cc3)CC2)cc1 ZINC000506295381 914890466 /nfs/dbraw/zinc/89/04/66/914890466.db2.gz QBSHCBVMXFZSBM-UHFFFAOYSA-N 1 0 412.537 4.240 20 30 HIEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000506310652 914899645 /nfs/dbraw/zinc/89/96/45/914899645.db2.gz XVJGTPZAAWCQIH-DEOSSOPVSA-N 1 0 422.475 4.435 20 30 HIEDRO Cc1noc(C2(C)CC[NH+](Cc3cccc(OCc4cccc(C#N)c4)c3)CC2)n1 ZINC000513366389 921739382 /nfs/dbraw/zinc/73/93/82/921739382.db2.gz UUVYBBGUJRGBAZ-UHFFFAOYSA-N 1 0 402.498 4.382 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)c1C#N ZINC000506464921 915062929 /nfs/dbraw/zinc/06/29/29/915062929.db2.gz UEYYQAWRLYSVQM-IBGZPJMESA-N 1 0 410.543 4.021 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+]C1(c2cccc(C)c2)CCCC1 ZINC000506469041 915066386 /nfs/dbraw/zinc/06/63/86/915066386.db2.gz GSMUGUCCUDNAOX-UHFFFAOYSA-N 1 0 422.573 4.319 20 30 HIEDRO COC(=O)C1(c2ccccc2)CC[NH+](Cc2ccc(OC)c(OCCCC#N)c2)CC1 ZINC000506689931 915368742 /nfs/dbraw/zinc/36/87/42/915368742.db2.gz OVOTWXDUUGRICH-UHFFFAOYSA-N 1 0 422.525 4.085 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccc(Br)c1 ZINC000506887496 915680162 /nfs/dbraw/zinc/68/01/62/915680162.db2.gz WLYRWXKVUNOTCA-UHFFFAOYSA-N 1 0 418.360 4.332 20 30 HIEDRO N#Cc1ccc(N2CC[NH+](CCC(=O)Nc3cccc4ccccc43)CC2)c(F)c1 ZINC000507165089 915904228 /nfs/dbraw/zinc/90/42/28/915904228.db2.gz MXVFWAIFVVOLBS-UHFFFAOYSA-N 1 0 402.473 4.001 20 30 HIEDRO C[N@H+](CCCCCc1cc(-c2ccccc2)no1)CC(=O)NC1(C#N)CCCCC1 ZINC000507218149 915970784 /nfs/dbraw/zinc/97/07/84/915970784.db2.gz JUPLVOGUTAXZAE-UHFFFAOYSA-N 1 0 408.546 4.329 20 30 HIEDRO C=C[C@H](CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000507241478 916001064 /nfs/dbraw/zinc/00/10/64/916001064.db2.gz YLQBFPPCFJFYQW-ILBGXUMGSA-N 1 0 418.581 4.391 20 30 HIEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(Nc2ccc(F)cc2)CC1 ZINC000507254408 916014725 /nfs/dbraw/zinc/01/47/25/916014725.db2.gz QXSVKTBXCWPJLR-OTQYULQBSA-N 1 0 400.542 4.021 20 30 HIEDRO N#Cc1ccccc1COc1cccc(CN2CCN(C(=O)c3ccccc3)CC2)c1 ZINC000507298987 916063743 /nfs/dbraw/zinc/06/37/43/916063743.db2.gz KWRDVULOIDYSLD-UHFFFAOYSA-N 1 0 411.505 4.095 20 30 HIEDRO N#Cc1ccccc1-c1ccccc1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000507641338 916399729 /nfs/dbraw/zinc/39/97/29/916399729.db2.gz QXUFEOBSMFEKPD-UHFFFAOYSA-N 1 0 417.553 4.190 20 30 HIEDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000507651305 916413144 /nfs/dbraw/zinc/41/31/44/916413144.db2.gz DPAKRYXQAHKAHR-UHFFFAOYSA-N 1 0 421.932 4.495 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCC([NH+]4CCCCC4)CC3)sc2C1 ZINC000507712379 916506714 /nfs/dbraw/zinc/50/67/14/916506714.db2.gz BFKOOXZGUOWRKV-QGZVFWFLSA-N 1 0 414.619 4.023 20 30 HIEDRO COc1cccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1OC(F)F ZINC000507765556 916549688 /nfs/dbraw/zinc/54/96/88/916549688.db2.gz FLNLRZDWAIUBPJ-UHFFFAOYSA-N 1 0 403.429 4.043 20 30 HIEDRO COc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1Br ZINC000507766338 916550588 /nfs/dbraw/zinc/55/05/88/916550588.db2.gz LSTSYHNNEFSUOE-UHFFFAOYSA-N 1 0 416.319 4.204 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3c[nH]nc3-c3cccc(Cl)c3)CC2)nc1 ZINC000507770520 916556389 /nfs/dbraw/zinc/55/63/89/916556389.db2.gz UTWSJEMPKVICME-UHFFFAOYSA-N 1 0 407.905 4.477 20 30 HIEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000508466615 917251483 /nfs/dbraw/zinc/25/14/83/917251483.db2.gz VIYXMWQGCLPGFS-UHFFFAOYSA-N 1 0 416.573 4.183 20 30 HIEDRO C=CCn1c(-c2ccccc2OC)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508497638 917280945 /nfs/dbraw/zinc/28/09/45/917280945.db2.gz MRZANLIFTFGCAN-OAQYLSRUSA-N 1 0 417.557 4.098 20 30 HIEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508504023 917288089 /nfs/dbraw/zinc/28/80/89/917288089.db2.gz ISFOOVBYWKBPMG-LJQANCHMSA-N 1 0 404.562 4.156 20 30 HIEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000508505712 917291826 /nfs/dbraw/zinc/29/18/26/917291826.db2.gz OAXXZDNBQHHOLG-VQTJNVASSA-N 1 0 409.578 4.231 20 30 HIEDRO Cn1ccnc1C[C@@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000508620372 917388167 /nfs/dbraw/zinc/38/81/67/917388167.db2.gz JGAJAIXNLRFIAR-QFIPXVFZSA-N 1 0 400.526 4.325 20 30 HIEDRO C=CCn1c(-c2cccnc2)nnc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000508738526 917498209 /nfs/dbraw/zinc/49/82/09/917498209.db2.gz GSSWQNJPVKCACQ-UHFFFAOYSA-N 1 0 414.557 4.019 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508747593 917505586 /nfs/dbraw/zinc/50/55/86/917505586.db2.gz OINDEUWXTGQWJH-RTBURBONSA-N 1 0 413.541 4.055 20 30 HIEDRO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508798904 917553499 /nfs/dbraw/zinc/55/34/99/917553499.db2.gz YHFOZLOYJCQBNL-KRWDZBQOSA-N 1 0 417.504 4.045 20 30 HIEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000508803434 917559023 /nfs/dbraw/zinc/55/90/23/917559023.db2.gz XKOGSIVMSBSTPN-GOTSBHOMSA-N 1 0 421.589 4.164 20 30 HIEDRO C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000508868832 917623266 /nfs/dbraw/zinc/62/32/66/917623266.db2.gz XMWNLUINUSJDCC-NZQKXSOJSA-N 1 0 421.589 4.089 20 30 HIEDRO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000508868833 917623740 /nfs/dbraw/zinc/62/37/40/917623740.db2.gz XMWNLUINUSJDCC-OFNKIYASSA-N 1 0 421.589 4.089 20 30 HIEDRO C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508916777 917673659 /nfs/dbraw/zinc/67/36/59/917673659.db2.gz IAGZYETWMDZJSL-HKUYNNGSSA-N 1 0 415.969 4.322 20 30 HIEDRO C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508964988 917721418 /nfs/dbraw/zinc/72/14/18/917721418.db2.gz VLUIXOBPCRMPIQ-UHFFFAOYSA-N 1 0 418.010 4.474 20 30 HIEDRO COCC[N@H+](C)CC[C@H](NC(=O)Nc1ccc(C(C)(C)C#N)cc1)c1ccccc1 ZINC000509548753 918198785 /nfs/dbraw/zinc/19/87/85/918198785.db2.gz JIYRDSQCNWCJNA-QFIPXVFZSA-N 1 0 408.546 4.319 20 30 HIEDRO Cc1c(C#N)cccc1C(=O)N(C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000510056515 918625975 /nfs/dbraw/zinc/62/59/75/918625975.db2.gz PIOVETOPPCVCKN-IBGZPJMESA-N 1 0 415.459 4.393 20 30 HIEDRO C[C@H]1C[C@@H](CCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000510071917 918640544 /nfs/dbraw/zinc/64/05/44/918640544.db2.gz NFUKFCMGTDWRQY-SIKLNZKXSA-N 1 0 405.542 4.133 20 30 HIEDRO N#C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccc(Cl)cc1 ZINC000510319244 918828626 /nfs/dbraw/zinc/82/86/26/918828626.db2.gz LRJMLWBKNFELHE-OALUTQOASA-N 1 0 403.860 4.178 20 30 HIEDRO COc1ccc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1OCCCC#N ZINC000510509590 918956173 /nfs/dbraw/zinc/95/61/73/918956173.db2.gz WEFLMBOBWQISLC-UHFFFAOYSA-N 1 0 405.498 4.293 20 30 HIEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[NH+](C)C ZINC000510533955 918978554 /nfs/dbraw/zinc/97/85/54/918978554.db2.gz AYOFCJVLHRQTHF-MHECFPHRSA-N 1 0 417.509 4.460 20 30 HIEDRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3cc(C#N)cn3C(C)(C)C)CC2)cc1 ZINC000510583977 919026767 /nfs/dbraw/zinc/02/67/67/919026767.db2.gz KYKPHOFFWSHNBJ-UHFFFAOYSA-N 1 0 423.561 4.157 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000510887228 919382442 /nfs/dbraw/zinc/38/24/42/919382442.db2.gz JGQDXQXXQUOYIU-JOCHJYFZSA-N 1 0 422.529 4.314 20 30 HIEDRO N#Cc1ccc(CNC(=O)C[N@H+](Cc2ccccc2C(F)(F)F)CC2CC2)cc1 ZINC000511135834 919751805 /nfs/dbraw/zinc/75/18/05/919751805.db2.gz IBQUFGKXHMUTNZ-UHFFFAOYSA-N 1 0 401.432 4.105 20 30 HIEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000511192521 919809630 /nfs/dbraw/zinc/80/96/30/919809630.db2.gz QOKCDFGKXJAKAM-SFHVURJKSA-N 1 0 422.548 4.159 20 30 HIEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000511217569 919827092 /nfs/dbraw/zinc/82/70/92/919827092.db2.gz PQFRYZRNYDUGMP-UHFFFAOYSA-N 1 0 420.557 4.151 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H](c3ccc(F)cc3)C3CCC3)CC2)cc1 ZINC000511328343 919918512 /nfs/dbraw/zinc/91/85/12/919918512.db2.gz RVVXOIPVYUJQSC-DEOSSOPVSA-N 1 0 420.532 4.456 20 30 HIEDRO C[C@H](CNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C[NH+]1CCCC1 ZINC000511355652 919950739 /nfs/dbraw/zinc/95/07/39/919950739.db2.gz RNFDIFIHAUPCCF-LJQANCHMSA-N 1 0 406.530 4.185 20 30 HIEDRO CC[N@@H+]1CCN(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)[C@@H](C)C1 ZINC000511608044 920258096 /nfs/dbraw/zinc/25/80/96/920258096.db2.gz ZKIYGDOIHTVLAT-IRXDYDNUSA-N 1 0 416.635 4.125 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccc(F)cc1 ZINC000511620060 920277383 /nfs/dbraw/zinc/27/73/83/920277383.db2.gz IRERYMIOLGXCQK-QGZVFWFLSA-N 1 0 424.398 4.063 20 30 HIEDRO N#CC(CC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CO)C1)(c1ccccc1)c1ccccc1 ZINC000511658315 920323936 /nfs/dbraw/zinc/32/39/36/920323936.db2.gz XGOSGHZXSTVFJS-WIYYLYMNSA-N 1 0 402.460 4.379 20 30 HIEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000511873673 920605920 /nfs/dbraw/zinc/60/59/20/920605920.db2.gz KUTRKGGXVLSPLB-PMACEKPBSA-N 1 0 401.432 4.119 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000513684071 922005669 /nfs/dbraw/zinc/00/56/69/922005669.db2.gz OQLFQTAYUAINQL-NRFANRHFSA-N 1 0 413.525 4.055 20 30 HIEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000514046210 922366998 /nfs/dbraw/zinc/36/69/98/922366998.db2.gz NZKTVYULIDQGFL-XZOQPEGZSA-N 1 0 406.505 4.036 20 30 HIEDRO CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000514688026 922754853 /nfs/dbraw/zinc/75/48/53/922754853.db2.gz CQYSHBMULLLPEF-FCHUYYIVSA-N 1 0 401.514 4.194 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)Cc2cccc(F)c2)c1C#N ZINC000514917863 922843982 /nfs/dbraw/zinc/84/39/82/922843982.db2.gz PNKBQNPVQIHZDK-UHFFFAOYSA-N 1 0 408.477 4.218 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000517340852 924114651 /nfs/dbraw/zinc/11/46/51/924114651.db2.gz FKHLFFBMMDXBGC-QGZVFWFLSA-N 1 0 424.408 4.278 20 30 HIEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000517540118 924253129 /nfs/dbraw/zinc/25/31/29/924253129.db2.gz NTLQHGQJWGWPPC-UWJYYQICSA-N 1 0 415.459 4.192 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)cc1OC ZINC000517710044 926807525 /nfs/dbraw/zinc/80/75/25/926807525.db2.gz YSNQVGDXNYILPD-KRWDZBQOSA-N 1 0 417.347 4.391 20 30 HIEDRO C=C(C)Cn1c([C@H](C)CC)nnc1N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000517761647 926824879 /nfs/dbraw/zinc/82/48/79/926824879.db2.gz NCWOKEYCDFGBRK-AABGKKOBSA-N 1 0 403.615 4.083 20 30 HIEDRO CCO[C@H]1C[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)C12CCCC2 ZINC000518008122 926948370 /nfs/dbraw/zinc/94/83/70/926948370.db2.gz SJPPEZYFBBWWJU-OALUTQOASA-N 1 0 401.576 4.155 20 30 HIEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000518187368 927071764 /nfs/dbraw/zinc/07/17/64/927071764.db2.gz XCFQRFWTLJHGNZ-UHFFFAOYSA-N 1 0 423.532 4.007 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@H](CN2CCOCC2)c2ccc(C)cc2)ccc1OC ZINC000518271874 927130630 /nfs/dbraw/zinc/13/06/30/927130630.db2.gz MTRPAPJKFNCUFD-HSZRJFAPSA-N 1 0 410.558 4.122 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCCNC(=O)c2ccc(F)cc2)c1 ZINC000518450391 927282298 /nfs/dbraw/zinc/28/22/98/927282298.db2.gz HGIRBLIJRIDWBQ-UHFFFAOYSA-N 1 0 417.484 4.186 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N(CCOC)[C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000518528611 927329611 /nfs/dbraw/zinc/32/96/11/927329611.db2.gz MMTQUJBUYFXYJR-MRXNPFEDSA-N 1 0 413.484 4.075 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000518531325 927331129 /nfs/dbraw/zinc/33/11/29/927331129.db2.gz UHFGIHYEJHXDGG-UHFFFAOYSA-N 1 0 406.505 4.060 20 30 HIEDRO C=CCOc1ccc(C[NH2+]C[C@H](c2cccs2)N2CCN(C)CC2)cc1Cl ZINC000518747299 927472320 /nfs/dbraw/zinc/47/23/20/927472320.db2.gz BEMDUJFWENVLNV-LJQANCHMSA-N 1 0 405.995 4.045 20 30 HIEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000518754389 927477325 /nfs/dbraw/zinc/47/73/25/927477325.db2.gz IZMAPDIEEDQXKO-UHFFFAOYSA-N 1 0 415.497 4.341 20 30 HIEDRO CN(Cc1cccc(C#N)c1)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000518827878 927525596 /nfs/dbraw/zinc/52/55/96/927525596.db2.gz URNAKMKDUBDATA-UHFFFAOYSA-N 1 0 418.585 4.435 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)CC1 ZINC000519270621 927857481 /nfs/dbraw/zinc/85/74/81/927857481.db2.gz YDDRDUPZZMOASH-UHFFFAOYSA-N 1 0 414.553 4.287 20 30 HIEDRO CCC[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)C(=O)N1CCc2sccc2C1 ZINC000520219825 928396517 /nfs/dbraw/zinc/39/65/17/928396517.db2.gz MYWUWRGDRWBOJC-NRFANRHFSA-N 1 0 411.571 4.274 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCN(Cc4ccccc4)C3=O)c2)c1 ZINC000520221127 928397325 /nfs/dbraw/zinc/39/73/25/928397325.db2.gz PVPIBJVJXBQJPI-RUZDIDTESA-N 1 0 411.505 4.028 20 30 HIEDRO CC(C)[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[NH+]1CCC(C)CC1 ZINC000520322875 928485834 /nfs/dbraw/zinc/48/58/34/928485834.db2.gz JODUPIABARYNTR-QFIPXVFZSA-N 1 0 406.530 4.232 20 30 HIEDRO N#Cc1ccc(Oc2ccc(C(=O)N3C[C@H]4CCC[N@@H+]4Cc4ccccc43)cc2)nc1 ZINC000520322826 928485994 /nfs/dbraw/zinc/48/59/94/928485994.db2.gz HDRARMLFIOWPDI-OAQYLSRUSA-N 1 0 410.477 4.370 20 30 HIEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)C2)CC1 ZINC000520340553 928503591 /nfs/dbraw/zinc/50/35/91/928503591.db2.gz OFALPDUQMRZQFY-OAQYLSRUSA-N 1 0 418.541 4.330 20 30 HIEDRO N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000520366620 928522596 /nfs/dbraw/zinc/52/25/96/928522596.db2.gz WRYBOEZFJGQVBP-VNXZQDSDSA-N 1 0 403.526 4.029 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000520746932 928798066 /nfs/dbraw/zinc/79/80/66/928798066.db2.gz KWRMKQDORNYDEU-UHFFFAOYSA-N 1 0 404.514 4.104 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@@H](NC(=O)c2ccc(C)cc2)c2ccccc2)CC1 ZINC000521573907 929305601 /nfs/dbraw/zinc/30/56/01/929305601.db2.gz XEWURAWEYCKKBO-XMMPIXPASA-N 1 0 419.569 4.013 20 30 HIEDRO C=CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000521810853 929468136 /nfs/dbraw/zinc/46/81/36/929468136.db2.gz HJDYWQNBGXYFFS-INIZCTEOSA-N 1 0 417.435 4.353 20 30 HIEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)CC1 ZINC000521823249 929479642 /nfs/dbraw/zinc/47/96/42/929479642.db2.gz OYTHOXGPWIFFEF-UHFFFAOYSA-N 1 0 419.573 4.390 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000525244375 930102913 /nfs/dbraw/zinc/10/29/13/930102913.db2.gz PBQLGKVFKBUGCC-RTBURBONSA-N 1 0 409.530 4.468 20 30 HIEDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1OC ZINC000525248418 930104686 /nfs/dbraw/zinc/10/46/86/930104686.db2.gz WHJQPHKNLMPEBL-DLBZAZTESA-N 1 0 413.493 4.219 20 30 HIEDRO C[C@@](CO)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C1CCCCC1 ZINC000525408359 930224024 /nfs/dbraw/zinc/22/40/24/930224024.db2.gz BOPFYAQRAYWRLK-QFIPXVFZSA-N 1 0 403.592 4.138 20 30 HIEDRO C=CCOc1ccc(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1OC ZINC000525570775 930336432 /nfs/dbraw/zinc/33/64/32/930336432.db2.gz UDSWQXSNHHCQMA-UTKZUKDTSA-N 1 0 400.544 4.134 20 30 HIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000527100067 930590046 /nfs/dbraw/zinc/59/00/46/930590046.db2.gz CJFOZTZJPYYCSU-HLFJOQDNSA-N 1 0 401.514 4.488 20 30 HIEDRO N#C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000530638754 930783211 /nfs/dbraw/zinc/78/32/11/930783211.db2.gz ABXWYEFCLJOWHX-ICSRJNTNSA-N 1 0 417.431 4.178 20 30 HIEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)CC1 ZINC000530728399 930809925 /nfs/dbraw/zinc/80/99/25/930809925.db2.gz VUCRGSYCTMPGTH-GOSISDBHSA-N 1 0 402.420 4.006 20 30 HIEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCC(=O)Nc1sccc1C#N ZINC000532526224 931474940 /nfs/dbraw/zinc/47/49/40/931474940.db2.gz TWXYWNFTXUZTPK-UHFFFAOYSA-N 1 0 411.506 4.042 20 30 HIEDRO C=CC[N@H+](Cc1ccc(-n2nc(C)cc2C)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000532554332 931520473 /nfs/dbraw/zinc/52/04/73/931520473.db2.gz GTZBZTMGAWPOQW-HXUWFJFHSA-N 1 0 413.529 4.214 20 30 HIEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000532590545 931547693 /nfs/dbraw/zinc/54/76/93/931547693.db2.gz NQNGICFPERMLGM-UPVQGACJSA-N 1 0 415.537 4.226 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000533059707 931757819 /nfs/dbraw/zinc/75/78/19/931757819.db2.gz AJBAMDIOJALYCX-SFHVURJKSA-N 1 0 409.555 4.172 20 30 HIEDRO C[N@H+](CCCCCc1cc(-c2cccc(F)c2)no1)[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000533260735 931821812 /nfs/dbraw/zinc/82/18/12/931821812.db2.gz LZOSXEWMPKLQMC-QHCPKHFHSA-N 1 0 420.488 4.224 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CCN1CCC[C@H](C[NH+]3CCCCCC3)C1)CCC2 ZINC000533271133 931824828 /nfs/dbraw/zinc/82/48/28/931824828.db2.gz CFYZVCMOPHQQNO-GOSISDBHSA-N 1 0 414.619 4.025 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCC[N@@H+](C4CCCC4)CC3)sc2C1 ZINC000533289795 931829102 /nfs/dbraw/zinc/82/91/02/931829102.db2.gz CVHDIESSFFEIAD-QGZVFWFLSA-N 1 0 414.619 4.023 20 30 HIEDRO COc1ccc(C[NH2+]C2CCN([C@@H](C)c3ccncc3)CC2)cc1OCCCC#N ZINC000533359787 931848160 /nfs/dbraw/zinc/84/81/60/931848160.db2.gz CVZKIDUFDRBXEJ-IBGZPJMESA-N 1 0 408.546 4.088 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533374838 931852718 /nfs/dbraw/zinc/85/27/18/931852718.db2.gz CWRZMOFXANTETN-WCIQWLHISA-N 1 0 414.619 4.357 20 30 HIEDRO N#Cc1ccsc1NC(=O)CC[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000533416922 931861977 /nfs/dbraw/zinc/86/19/77/931861977.db2.gz JTQMBRWIZFSLGT-UHFFFAOYSA-N 1 0 412.342 4.140 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CCC[C@@H]([NH+]4CCCC4)CC3)sc2C1 ZINC000533426323 931864808 /nfs/dbraw/zinc/86/48/08/931864808.db2.gz IABHAIJEPCDNTG-QZTJIDSGSA-N 1 0 414.619 4.023 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@@]2(CC)OCCc3c4cccc(CC)c4[nH]c32)CC1 ZINC000533940072 932113110 /nfs/dbraw/zinc/11/31/10/932113110.db2.gz BBONHVGDTWJZGS-AREMUKBSSA-N 1 0 423.601 4.455 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C[C@]2(CC)OCCc3c4cccc(CC)c4[nH]c32)CC1 ZINC000533940073 932113330 /nfs/dbraw/zinc/11/33/30/932113330.db2.gz BBONHVGDTWJZGS-SANMLTNESA-N 1 0 423.601 4.455 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc2c1CN(c1ccccn1)C2)C(C)C ZINC000534599308 932585450 /nfs/dbraw/zinc/58/54/50/932585450.db2.gz YXLLIZWKCCWQLX-QHCPKHFHSA-N 1 0 419.573 4.422 20 30 HIEDRO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@@H]1c1ccccc1 ZINC000534753517 932730788 /nfs/dbraw/zinc/73/07/88/932730788.db2.gz KWAHKNWNKBMYJC-RPBOFIJWSA-N 1 0 411.505 4.312 20 30 HIEDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1F ZINC000534964373 932863360 /nfs/dbraw/zinc/86/33/60/932863360.db2.gz LBGTYSBJFYBTOV-UHFFFAOYSA-N 1 0 402.473 4.004 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000534968773 932867470 /nfs/dbraw/zinc/86/74/70/932867470.db2.gz YIUWVTBBPWNUCA-OAHLLOKOSA-N 1 0 400.523 4.461 20 30 HIEDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000535664557 933308276 /nfs/dbraw/zinc/30/82/76/933308276.db2.gz BNDAYQCDMYFCLV-GOSISDBHSA-N 1 0 411.575 4.394 20 30 HIEDRO C[NH+]1CCC(Oc2ccc(CNc3cccc(Br)c3C#N)cc2)CC1 ZINC000562911142 945149989 /nfs/dbraw/zinc/14/99/89/945149989.db2.gz GEZSXOZHKCOJOJ-UHFFFAOYSA-N 1 0 400.320 4.406 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCN(c2ccc(C#N)cc2)C1=O)c1cccc(NC(=O)c2ccccc2)c1 ZINC000563324377 945179332 /nfs/dbraw/zinc/17/93/32/945179332.db2.gz MXAIIFMWKSFRMA-KOSHJBKYSA-N 1 0 424.504 4.267 20 30 HIEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000538110475 938504698 /nfs/dbraw/zinc/50/46/98/938504698.db2.gz GUCOHYPDSLMYJR-OAQYLSRUSA-N 1 0 402.542 4.099 20 30 HIEDRO COc1cc([C@@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)ccc1OC1CCCC1 ZINC000538152261 938524728 /nfs/dbraw/zinc/52/47/28/938524728.db2.gz WKLCGUGCYAOIIF-GOSISDBHSA-N 1 0 413.562 4.352 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2cccc(OCc3ccccn3)c2)c(C#N)c1C ZINC000538155813 938526051 /nfs/dbraw/zinc/52/60/51/938526051.db2.gz PZBKRUZLLPNLRE-SJORKVTESA-N 1 0 418.497 4.420 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(-c3ccco3)nn2-c2ccc(C)cc2)CC1 ZINC000538156589 938527246 /nfs/dbraw/zinc/52/72/46/938527246.db2.gz AKGUALWJEGQVEK-UHFFFAOYSA-N 1 0 405.502 4.213 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)ccc1Cl ZINC000538198842 938550948 /nfs/dbraw/zinc/55/09/48/938550948.db2.gz SXEIHKQGWSEMGJ-CVDCTZTESA-N 1 0 411.933 4.263 20 30 HIEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000538208741 938556030 /nfs/dbraw/zinc/55/60/30/938556030.db2.gz WOGIVEQAFMECPR-JOCHJYFZSA-N 1 0 419.916 4.467 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3cc(Br)ccc3F)CC2)cc1 ZINC000538398301 938611319 /nfs/dbraw/zinc/61/13/19/938611319.db2.gz GXSCFWBQOMUADS-UHFFFAOYSA-N 1 0 416.338 4.257 20 30 HIEDRO CC(C)N1CC[C@@H](NC(=O)COc2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000538600925 938659142 /nfs/dbraw/zinc/65/91/42/938659142.db2.gz LSLZUSOMYLIHPJ-KNQAVFIVSA-N 1 0 415.896 4.070 20 30 HIEDRO OC1(Cc2ccc(OC(F)(F)F)cc2)CC[NH+](CC#Cc2ccc(F)cc2)CC1 ZINC000538637377 938669325 /nfs/dbraw/zinc/66/93/25/938669325.db2.gz YAMMULAUVIWIJZ-UHFFFAOYSA-N 1 0 407.407 4.145 20 30 HIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](CCOc3ccc(F)cc3Cl)CC2)c1 ZINC000538781107 938708622 /nfs/dbraw/zinc/70/86/22/938708622.db2.gz HNEMPALRHWWQGG-UHFFFAOYSA-N 1 0 401.869 4.080 20 30 HIEDRO C[C@H](Cc1ccccc1)n1cccc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000539122257 938806235 /nfs/dbraw/zinc/80/62/35/938806235.db2.gz WARGBXDRAOITED-OAQYLSRUSA-N 1 0 414.553 4.367 20 30 HIEDRO Cc1sc(NC(=O)C[NH2+][C@@H](C)c2ccc(OCc3cccnc3)cc2)c(C#N)c1C ZINC000539227096 938821760 /nfs/dbraw/zinc/82/17/60/938821760.db2.gz OHMSXKJJVZDKLI-INIZCTEOSA-N 1 0 420.538 4.500 20 30 HIEDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2cccc(C#N)c2)ccc1OCc1ccccc1 ZINC000539255624 938827724 /nfs/dbraw/zinc/82/77/24/938827724.db2.gz NPXQOWMPDPCVRG-SFHVURJKSA-N 1 0 415.493 4.435 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2-n2cccn2)c1 ZINC000539259163 938828516 /nfs/dbraw/zinc/82/85/16/938828516.db2.gz ONRRMICPLQHUQM-LEWJYISDSA-N 1 0 415.541 4.475 20 30 HIEDRO CC(C)Oc1ccc([C@@H](C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000539262756 938829507 /nfs/dbraw/zinc/82/95/07/938829507.db2.gz KHRCTNLOIKKSAI-QGZVFWFLSA-N 1 0 418.459 4.311 20 30 HIEDRO COc1ccc([C@H](C)[NH2+]CCOc2ccc(C#N)cc2OC)cc1Br ZINC000539269493 938830714 /nfs/dbraw/zinc/83/07/14/938830714.db2.gz ABVAPRWVTFPQBF-ZDUSSCGKSA-N 1 0 405.292 4.068 20 30 HIEDRO CCCCOc1ccc([C@@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)cc1OC ZINC000539269443 938830805 /nfs/dbraw/zinc/83/08/05/938830805.db2.gz HBWZCLHSNNULHX-GOSISDBHSA-N 1 0 401.551 4.210 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000539293746 938835415 /nfs/dbraw/zinc/83/54/15/938835415.db2.gz XEFIJLZRMTVRKT-BOCKYXSRSA-N 1 0 409.555 4.244 20 30 HIEDRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1OC ZINC000539297534 938835961 /nfs/dbraw/zinc/83/59/61/938835961.db2.gz LBWJUWMVEHNYKX-IBGZPJMESA-N 1 0 409.530 4.227 20 30 HIEDRO CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000539457635 938863494 /nfs/dbraw/zinc/86/34/94/938863494.db2.gz GNDYVJKMZWZTSP-LEWJYISDSA-N 1 0 417.985 4.013 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cccc(NC(=O)C4CCCC4)c3)CC2)cc1 ZINC000539498279 938868904 /nfs/dbraw/zinc/86/89/04/938868904.db2.gz BYPJUJCCDTXPMA-UHFFFAOYSA-N 1 0 416.569 4.441 20 30 HIEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000539634926 938891398 /nfs/dbraw/zinc/89/13/98/938891398.db2.gz KHPDHXWZFIOWFO-SFHVURJKSA-N 1 0 420.532 4.014 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)cc1OC ZINC000539899159 938972140 /nfs/dbraw/zinc/97/21/40/938972140.db2.gz ADUOUCXIUPXUPL-SJORKVTESA-N 1 0 410.352 4.271 20 30 HIEDRO COc1cc([C@H](C)[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)ccc1S(C)(=O)=O ZINC000540314775 939191065 /nfs/dbraw/zinc/19/10/65/939191065.db2.gz XSTSWTYACPXZJR-KRWDZBQOSA-N 1 0 420.534 4.488 20 30 HIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)c1 ZINC000540330054 939197174 /nfs/dbraw/zinc/19/71/74/939197174.db2.gz AAPQEMGAUDISPX-CQSZACIVSA-N 1 0 410.543 4.136 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2cccc(-n3cccn3)c2)c1 ZINC000540386810 939222843 /nfs/dbraw/zinc/22/28/43/939222843.db2.gz ZYZMYTKLTQNVBB-HXUWFJFHSA-N 1 0 401.514 4.087 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(-c2cccnc2)cc1 ZINC000540433927 939247229 /nfs/dbraw/zinc/24/72/29/939247229.db2.gz BYGUHGYAJWDIGR-SFHVURJKSA-N 1 0 422.492 4.095 20 30 HIEDRO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)c2)cc1 ZINC000540593692 939313877 /nfs/dbraw/zinc/31/38/77/939313877.db2.gz JKXDHDGOKBJUJS-KRWDZBQOSA-N 1 0 421.522 4.218 20 30 HIEDRO COc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(C(F)(F)F)c1 ZINC000540594626 939314191 /nfs/dbraw/zinc/31/41/91/939314191.db2.gz COGKZBVDDCFJKL-UHFFFAOYSA-N 1 0 403.448 4.340 20 30 HIEDRO C[C@H]([NH2+]Cc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1cccc(C#N)c1 ZINC000540597332 939315104 /nfs/dbraw/zinc/31/51/04/939315104.db2.gz MGYHUETXFOXRAK-IBGZPJMESA-N 1 0 415.516 4.270 20 30 HIEDRO Cn1ccnc1[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(Cl)cc1 ZINC000540597017 939315236 /nfs/dbraw/zinc/31/52/36/939315236.db2.gz FWBVBHWGXOQSRR-QHCPKHFHSA-N 1 0 419.960 4.289 20 30 HIEDRO Cc1ccccc1C1(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)CCOCC1 ZINC000540596598 939315254 /nfs/dbraw/zinc/31/52/54/939315254.db2.gz CWYXBWGILJYHQU-UHFFFAOYSA-N 1 0 403.570 4.169 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000540605560 939317698 /nfs/dbraw/zinc/31/76/98/939317698.db2.gz AYIPPYGWUCKXBZ-DHIUTWEWSA-N 1 0 413.924 4.435 20 30 HIEDRO COc1cccc(S(=O)(=O)CC[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000541085917 939454660 /nfs/dbraw/zinc/45/46/60/939454660.db2.gz ZCWAUFFVVRHBSU-GOSISDBHSA-N 1 0 420.534 4.358 20 30 HIEDRO C[C@H](C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2)c1nccs1 ZINC000541379522 939501445 /nfs/dbraw/zinc/50/14/45/939501445.db2.gz RNQUUXXKHFPHSH-UONOGXRCSA-N 1 0 402.589 4.265 20 30 HIEDRO COC(=O)COc1ccccc1[C@H](C)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000541563866 939556109 /nfs/dbraw/zinc/55/61/09/939556109.db2.gz OARAUSWYDQHSHQ-KKXNLOMOSA-N 1 0 408.498 4.151 20 30 HIEDRO N#Cc1cc(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)ccc1Cl ZINC000541625110 939573652 /nfs/dbraw/zinc/57/36/52/939573652.db2.gz GVMVXSRCIKDZFX-UHFFFAOYSA-N 1 0 410.905 4.278 20 30 HIEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000541659615 939591581 /nfs/dbraw/zinc/59/15/81/939591581.db2.gz JNSZQUUCIYJMJN-KGLIPLIRSA-N 1 0 404.967 4.431 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000541692416 939606443 /nfs/dbraw/zinc/60/64/43/939606443.db2.gz YOSBBFGAEGOGQA-MKFDZEHOSA-N 1 0 409.555 4.420 20 30 HIEDRO CC(=O)N(Cc1ccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1)C1CC1 ZINC000541901542 939650109 /nfs/dbraw/zinc/65/01/09/939650109.db2.gz WYBYRQADAUAYSS-UHFFFAOYSA-N 1 0 402.542 4.146 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(NC(=O)c4ccco4)cc3)CC2)cc1 ZINC000541901386 939650151 /nfs/dbraw/zinc/65/01/51/939650151.db2.gz BLAJWICJFQJXFF-UHFFFAOYSA-N 1 0 400.482 4.480 20 30 HIEDRO CCc1cnccc1[C@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000542124782 939722003 /nfs/dbraw/zinc/72/20/03/939722003.db2.gz RFDCPGWDMSYFSC-SFHVURJKSA-N 1 0 415.541 4.272 20 30 HIEDRO CC[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000542420018 939818455 /nfs/dbraw/zinc/81/84/55/939818455.db2.gz YPJDQTHAAAWQBQ-QHCPKHFHSA-N 1 0 402.542 4.069 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)C(C)C ZINC000542535660 939839556 /nfs/dbraw/zinc/83/95/56/939839556.db2.gz WFGOLOVYSUBUDL-BHDDXSALSA-N 1 0 403.542 4.044 20 30 HIEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000542839847 939862313 /nfs/dbraw/zinc/86/23/13/939862313.db2.gz WHUGGVVMGFCLMQ-UHFFFAOYSA-N 1 0 424.524 4.003 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000542966458 939887932 /nfs/dbraw/zinc/88/79/32/939887932.db2.gz CUFHGNTVOZCPCA-GKWFENNMSA-N 1 0 415.584 4.108 20 30 HIEDRO N#CCc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)cc1 ZINC000543140323 939967019 /nfs/dbraw/zinc/96/70/19/939967019.db2.gz UOOZOHQRESZPQE-UHFFFAOYSA-N 1 0 412.331 4.366 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000563756892 945286527 /nfs/dbraw/zinc/28/65/27/945286527.db2.gz YMINAFSRLLJYEY-GOSISDBHSA-N 1 0 410.949 4.137 20 30 HIEDRO CC(C)([C@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000543389800 940049052 /nfs/dbraw/zinc/04/90/52/940049052.db2.gz NOLNTHUNSIUZDA-HXUWFJFHSA-N 1 0 419.422 4.460 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000543459544 940069427 /nfs/dbraw/zinc/06/94/27/940069427.db2.gz VYNCXFWGTRKMER-BHIFYINESA-N 1 0 410.606 4.181 20 30 HIEDRO COc1ccccc1C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)C(C)C ZINC000543498301 940085763 /nfs/dbraw/zinc/08/57/63/940085763.db2.gz WCERXIWZPGDIMY-JOCHJYFZSA-N 1 0 407.558 4.416 20 30 HIEDRO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000543980983 940281962 /nfs/dbraw/zinc/28/19/62/940281962.db2.gz WTZNZEQHACIBQI-MRXNPFEDSA-N 1 0 419.504 4.352 20 30 HIEDRO N#Cc1ccc(-c2ccccc2)nc1SC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000544023626 940302247 /nfs/dbraw/zinc/30/22/47/940302247.db2.gz CLJWKWIKDFDKIX-QFIPXVFZSA-N 1 0 401.535 4.132 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1)C(C)C ZINC000544231849 940362122 /nfs/dbraw/zinc/36/21/22/940362122.db2.gz WFVMEFCVOHAWFQ-GMAHTHKFSA-N 1 0 412.622 4.308 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Br)c(Cl)c1Cl ZINC000544628713 940493852 /nfs/dbraw/zinc/49/38/52/940493852.db2.gz ODWMYUUPQYHZIK-UHFFFAOYSA-N 1 0 422.154 4.455 20 30 HIEDRO N#CCc1ccnc(NCc2cc(Br)ccc2OCc2ccccn2)c1 ZINC000546633243 940863190 /nfs/dbraw/zinc/86/31/90/940863190.db2.gz IHPTYPQBODUMPK-UHFFFAOYSA-N 1 0 409.287 4.496 20 30 HIEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000547373890 941059247 /nfs/dbraw/zinc/05/92/47/941059247.db2.gz NBNWESHBEMASCY-KRWDZBQOSA-N 1 0 406.320 4.063 20 30 HIEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000547945467 941080097 /nfs/dbraw/zinc/08/00/97/941080097.db2.gz XMTOSLITOSSFFT-UHFFFAOYSA-N 1 0 406.574 4.318 20 30 HIEDRO N#Cc1ccc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1Cl ZINC000548283539 941093835 /nfs/dbraw/zinc/09/38/35/941093835.db2.gz BHHITLIRBYKITE-UHFFFAOYSA-N 1 0 410.905 4.278 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C#N)c(Cl)c1 ZINC000548612273 941115188 /nfs/dbraw/zinc/11/51/88/941115188.db2.gz LEZLDMOQWIEXNF-UHFFFAOYSA-N 1 0 409.839 4.434 20 30 HIEDRO CC(C)N1CC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000548636823 941116934 /nfs/dbraw/zinc/11/69/34/941116934.db2.gz LGAYFJRDHRRORB-WOJBJXKFSA-N 1 0 403.860 4.444 20 30 HIEDRO N#CC1(c2ccccn2)CCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000548790972 941124019 /nfs/dbraw/zinc/12/40/19/941124019.db2.gz JFVQDCIXHZAIML-UHFFFAOYSA-N 1 0 417.557 4.199 20 30 HIEDRO Cc1cc(Cl)c2ncc(C#N)c(NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)c2c1 ZINC000548987756 941139235 /nfs/dbraw/zinc/13/92/35/941139235.db2.gz UUWXFXUCVMSXRY-LJQANCHMSA-N 1 0 406.917 4.247 20 30 HIEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)c1ccc(C#N)cc1 ZINC000549161680 941167219 /nfs/dbraw/zinc/16/72/19/941167219.db2.gz GANWMUPYJLVAHZ-LRDDRELGSA-N 1 0 409.711 4.065 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000549217723 941171714 /nfs/dbraw/zinc/17/17/14/941171714.db2.gz MOSTVPLPIOPXDL-UHFFFAOYSA-N 1 0 403.958 4.150 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000549262816 941174908 /nfs/dbraw/zinc/17/49/08/941174908.db2.gz QBEJLPSSZVJYGI-UHFFFAOYSA-N 1 0 423.605 4.362 20 30 HIEDRO C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000549287506 941177060 /nfs/dbraw/zinc/17/70/60/941177060.db2.gz LCTHTDUHLHTRDV-OAQYLSRUSA-N 1 0 423.605 4.308 20 30 HIEDRO CCN1CC[C@@H]([NH2+]CCC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549475168 941194247 /nfs/dbraw/zinc/19/42/47/941194247.db2.gz CUVHYBSWOOHETD-IRLDBZIGSA-N 1 0 414.912 4.104 20 30 HIEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H]1CCN(C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000549477404 941194555 /nfs/dbraw/zinc/19/45/55/941194555.db2.gz KOEGEXWCHLDXSG-REWPJTCUSA-N 1 0 415.484 4.037 20 30 HIEDRO CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000549541983 941198762 /nfs/dbraw/zinc/19/87/62/941198762.db2.gz JIMWLLZMSSEUBJ-KXBFYZLASA-N 1 0 416.447 4.270 20 30 HIEDRO C[NH+]1CCC(C#N)(NC(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000549605315 941201070 /nfs/dbraw/zinc/20/10/70/941201070.db2.gz CWEHKYMDMVXLON-NRFANRHFSA-N 1 0 413.974 4.267 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000549685414 941204407 /nfs/dbraw/zinc/20/44/07/941204407.db2.gz KKCZBSWBRIOFAJ-OALUTQOASA-N 1 0 415.557 4.301 20 30 HIEDRO CC[C@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)[N@H+](C)Cc1ccccc1 ZINC000549806946 941207921 /nfs/dbraw/zinc/20/79/21/941207921.db2.gz BIWDATMUAFTJLI-RBUKOAKNSA-N 1 0 400.320 4.041 20 30 HIEDRO CC1CC[NH+]([C@H](CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c2ccccc2)CC1 ZINC000549932025 941241814 /nfs/dbraw/zinc/24/18/14/941241814.db2.gz ONTNJGMUNHLPCC-LJQANCHMSA-N 1 0 416.447 4.175 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000550287541 941309846 /nfs/dbraw/zinc/30/98/46/941309846.db2.gz XSKKSPIDODMTJO-KBPBESRZSA-N 1 0 423.517 4.111 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)Cc2ccc(Br)c(C)c2)CC1 ZINC000550781079 941365928 /nfs/dbraw/zinc/36/59/28/941365928.db2.gz AOIRRDGTZJDDNN-UHFFFAOYSA-N 1 0 407.396 4.483 20 30 HIEDRO C=CCOc1ccc(CNc2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)cc1OC ZINC000551086518 941406831 /nfs/dbraw/zinc/40/68/31/941406831.db2.gz SENMNCFMONSTSF-JOCHJYFZSA-N 1 0 423.557 4.038 20 30 HIEDRO N#Cc1cccc(C2([NH2+]CC(=O)NCc3ccc(COc4ccccc4)cc3)CC2)c1 ZINC000551411118 941472277 /nfs/dbraw/zinc/47/22/77/941472277.db2.gz OYGQMSICRDEDRW-UHFFFAOYSA-N 1 0 411.505 4.032 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](O)C23CCCC3)cc1OCC ZINC000552086156 941582153 /nfs/dbraw/zinc/58/21/53/941582153.db2.gz ZIAOHSXICHNCIH-SFHVURJKSA-N 1 0 410.352 4.292 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 ZINC000552150134 941594160 /nfs/dbraw/zinc/59/41/60/941594160.db2.gz VGCLPYULQISISY-LJQANCHMSA-N 1 0 419.422 4.167 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cccc(COCC(F)(F)F)c3)CC2)cc1 ZINC000552276668 941620522 /nfs/dbraw/zinc/62/05/22/941620522.db2.gz GNLBGSAGKUXFOT-UHFFFAOYSA-N 1 0 403.448 4.396 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000552431177 941668858 /nfs/dbraw/zinc/66/88/58/941668858.db2.gz XDNOBNBQXAUYMM-IBGZPJMESA-N 1 0 421.438 4.413 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000552431178 941669017 /nfs/dbraw/zinc/66/90/17/941669017.db2.gz XDNOBNBQXAUYMM-LJQANCHMSA-N 1 0 421.438 4.413 20 30 HIEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H]2CCSc3ccc(F)cc32)c(OC)c1 ZINC000552497258 941688906 /nfs/dbraw/zinc/68/89/06/941688906.db2.gz BDVVRXZKYBYUCK-HKUYNNGSSA-N 1 0 403.519 4.129 20 30 HIEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000552989505 941812635 /nfs/dbraw/zinc/81/26/35/941812635.db2.gz CFBVJTBWSDDQCL-HXUWFJFHSA-N 1 0 416.997 4.199 20 30 HIEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+]CCc1nc2cc(Cl)ccc2s1 ZINC000553062121 941826321 /nfs/dbraw/zinc/82/63/21/941826321.db2.gz FFUAXEFEQGSDMP-QGZVFWFLSA-N 1 0 402.947 4.250 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000553071687 941828683 /nfs/dbraw/zinc/82/86/83/941828683.db2.gz VMZXPPGENGSWEE-KRWDZBQOSA-N 1 0 409.559 4.119 20 30 HIEDRO N#Cc1ccc(CC(=O)N(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000553174329 941844899 /nfs/dbraw/zinc/84/48/99/941844899.db2.gz QAFVYOIUWPIFOX-AREMUKBSSA-N 1 0 424.548 4.189 20 30 HIEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000553412735 941881220 /nfs/dbraw/zinc/88/12/20/941881220.db2.gz ABWRWBJXNJPGIU-HXUWFJFHSA-N 1 0 410.558 4.020 20 30 HIEDRO N#Cc1ccc(OC2CCN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccccc3)CC2)c(F)c1 ZINC000553541260 941905022 /nfs/dbraw/zinc/90/50/22/941905022.db2.gz WOVMZNVRZDESTD-HSZRJFAPSA-N 1 0 421.516 4.122 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2ccc(Cn3cncn3)cc2)c1 ZINC000553574941 941912476 /nfs/dbraw/zinc/91/24/76/941912476.db2.gz DJWGAFVKJOBWMO-UHFFFAOYSA-N 1 0 409.493 4.067 20 30 HIEDRO N#CCC[C@H](NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000553681728 941943602 /nfs/dbraw/zinc/94/36/02/941943602.db2.gz YNJGYOSEDUCZJO-ZCYQVOJMSA-N 1 0 402.542 4.339 20 30 HIEDRO C=CCOc1ccc(CNC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000553899783 941994000 /nfs/dbraw/zinc/99/40/00/941994000.db2.gz RTJUENBYBOGYIS-VWLOTQADSA-N 1 0 405.542 4.059 20 30 HIEDRO C[NH+](C)C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccc(F)cc1 ZINC000554072939 942029646 /nfs/dbraw/zinc/02/96/46/942029646.db2.gz GYVNXFGGUAIAPL-FQEVSTJZSA-N 1 0 423.517 4.169 20 30 HIEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000554334842 942106227 /nfs/dbraw/zinc/10/62/27/942106227.db2.gz LPLUSOYAVFLRCB-RKDDFOCISA-N 1 0 407.562 4.062 20 30 HIEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000554334841 942106375 /nfs/dbraw/zinc/10/63/75/942106375.db2.gz LPLUSOYAVFLRCB-JZGPVCMCSA-N 1 0 407.562 4.062 20 30 HIEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000554640777 942184075 /nfs/dbraw/zinc/18/40/75/942184075.db2.gz PLTJHRNNBGKAEW-UHFFFAOYSA-N 1 0 406.578 4.093 20 30 HIEDRO N#Cc1ccc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c(C(F)(F)F)c1 ZINC000555093509 942383633 /nfs/dbraw/zinc/38/36/33/942383633.db2.gz RXVGPIOVMACNPF-KRWDZBQOSA-N 1 0 411.786 4.265 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555131390 942396551 /nfs/dbraw/zinc/39/65/51/942396551.db2.gz MUUFDPQOSJNXJK-UZKOGDIHSA-N 1 0 422.976 4.037 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@H]1c2ccccc2CC12CCOCC2)C(C)C ZINC000555167374 942413659 /nfs/dbraw/zinc/41/36/59/942413659.db2.gz CUZVAPYEERIECO-PKTZIBPZSA-N 1 0 411.590 4.078 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000555237836 942440801 /nfs/dbraw/zinc/44/08/01/942440801.db2.gz RCAYXIJVVVCKQZ-JOCHJYFZSA-N 1 0 423.605 4.362 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000555241175 942442440 /nfs/dbraw/zinc/44/24/40/942442440.db2.gz ZYTYCLBDWVUYDN-OAQYLSRUSA-N 1 0 411.594 4.218 20 30 HIEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000555271158 942456889 /nfs/dbraw/zinc/45/68/89/942456889.db2.gz VEDSNOXVXNHEGB-UHFFFAOYSA-N 1 0 416.573 4.382 20 30 HIEDRO C=C(C)Cn1c(N2CC[C@@H](C[N@@H+](C)CCC)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000555273148 942458639 /nfs/dbraw/zinc/45/86/39/942458639.db2.gz RRJYVDALOLRAGG-SFHVURJKSA-N 1 0 419.520 4.151 20 30 HIEDRO N#Cc1cccc(C2([NH2+]CC(=O)N3Cc4ccccc4[C@@H](c4ccccc4)C3)CC2)c1 ZINC000556511413 942888019 /nfs/dbraw/zinc/88/80/19/942888019.db2.gz WISZAFPJCJLPMC-RUZDIDTESA-N 1 0 407.517 4.311 20 30 HIEDRO N#Cc1ccc2ncc(C[NH2+][C@@H](Cn3cnc4ccccc43)c3ccc(F)cc3)n2c1 ZINC000556594805 942909128 /nfs/dbraw/zinc/90/91/28/942909128.db2.gz JXVACLCUADOSPY-QFIPXVFZSA-N 1 0 410.456 4.226 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cccc(NC(=O)C4CCCC4)c3)CC2)cc1 ZINC000556863228 942943668 /nfs/dbraw/zinc/94/36/68/942943668.db2.gz XYPHDMTUZVWZRP-UHFFFAOYSA-N 1 0 402.542 4.446 20 30 HIEDRO C[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)Oc1ccccc1Br ZINC000556869504 942944821 /nfs/dbraw/zinc/94/48/21/942944821.db2.gz JHFPUWNRIIVVSN-MRXNPFEDSA-N 1 0 414.347 4.347 20 30 HIEDRO C=CCC[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccco1 ZINC000556870721 942945704 /nfs/dbraw/zinc/94/57/04/942945704.db2.gz QIQRUOXGCKPHTQ-GOSISDBHSA-N 1 0 408.589 4.355 20 30 HIEDRO C[N@H+](CCc1cccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1)C1CC1 ZINC000556960021 942979248 /nfs/dbraw/zinc/97/92/48/942979248.db2.gz LABQCQXYPAWFMF-UHFFFAOYSA-N 1 0 420.532 4.189 20 30 HIEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NCc2ccc(F)cc2C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000557523124 943189885 /nfs/dbraw/zinc/18/98/85/943189885.db2.gz IYBQQPAVPHWRHC-TZMCWYRMSA-N 1 0 414.365 4.370 20 30 HIEDRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C[C@H](C)O1 ZINC000557716463 943267771 /nfs/dbraw/zinc/26/77/71/943267771.db2.gz SVYJRRMPDFIQSF-BGYRXZFFSA-N 1 0 407.558 4.115 20 30 HIEDRO C=CC1CC[NH+](CC(=O)N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000558244802 943456389 /nfs/dbraw/zinc/45/63/89/943456389.db2.gz DLJBCZOPSIGUDX-UHFFFAOYSA-N 1 0 408.542 4.131 20 30 HIEDRO CCc1ccc([C@@H](CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)[NH+](CC)CC)cc1 ZINC000558349531 943521763 /nfs/dbraw/zinc/52/17/63/943521763.db2.gz AGLOCVMOOHSZOL-BJKOFHAPSA-N 1 0 402.542 4.002 20 30 HIEDRO CN1CC[C@@H]([NH2+]Cc2ccc(Br)cc2C#N)[C@@H]1c1ccc(F)c(F)c1 ZINC000558466648 943566762 /nfs/dbraw/zinc/56/67/62/943566762.db2.gz PBMPVRNYKITUHV-MOPGFXCFSA-N 1 0 406.274 4.134 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000558980589 943782344 /nfs/dbraw/zinc/78/23/44/943782344.db2.gz HUVAXFYJCBKOIP-GOSISDBHSA-N 1 0 417.985 4.255 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000558990161 943791219 /nfs/dbraw/zinc/79/12/19/943791219.db2.gz MZMCLILEJBQMSQ-QGZVFWFLSA-N 1 0 417.985 4.351 20 30 HIEDRO C[C@@H](c1ccccc1F)N1CCC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1=O ZINC000559323492 943896752 /nfs/dbraw/zinc/89/67/52/943896752.db2.gz JWXGHALFZRIEED-MBSDFSHPSA-N 1 0 409.505 4.350 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000560198975 944195006 /nfs/dbraw/zinc/19/50/06/944195006.db2.gz PHXYLPAJVRTQBK-UHFFFAOYSA-N 1 0 405.523 4.290 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+][C@H](c3cncc(Br)c3)C3CC3)CC2)cc1 ZINC000560537574 944246624 /nfs/dbraw/zinc/24/66/24/944246624.db2.gz SEXMARVJWCJJOA-NRFANRHFSA-N 1 0 411.347 4.425 20 30 HIEDRO C=CCCO[C@@H](C)C(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000561074127 944428984 /nfs/dbraw/zinc/42/89/84/944428984.db2.gz GOWCGFQOLWEFDN-URXFXBBRSA-N 1 0 407.558 4.056 20 30 HIEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000561365478 944563394 /nfs/dbraw/zinc/56/33/94/944563394.db2.gz SFRWASZTACRJGF-YOOZRZFBSA-N 1 0 411.590 4.029 20 30 HIEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000562015882 944895272 /nfs/dbraw/zinc/89/52/72/944895272.db2.gz QZFRIEUSKZOMPS-QGZVFWFLSA-N 1 0 407.518 4.052 20 30 HIEDRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)cc1 ZINC000562243393 945038941 /nfs/dbraw/zinc/03/89/41/945038941.db2.gz IXPDVPMEOWNGCL-FPOVZHCZSA-N 1 0 423.532 4.424 20 30 HIEDRO COc1ccc(C[C@@H]2CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)cc1 ZINC000562243292 945039462 /nfs/dbraw/zinc/03/94/62/945039462.db2.gz IXPDVPMEOWNGCL-CTNGQTDRSA-N 1 0 423.532 4.424 20 30 HIEDRO C[N@H+](CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C1CCCCC1 ZINC000564236885 945455145 /nfs/dbraw/zinc/45/51/45/945455145.db2.gz RIWJKGFEVHBIJV-UHFFFAOYSA-N 1 0 416.997 4.199 20 30 HIEDRO N#Cc1ccc(CNc2cccc(C[NH+]3CCC(CO)CC3)c2)c(C(F)(F)F)c1 ZINC000564409813 945562478 /nfs/dbraw/zinc/56/24/78/945562478.db2.gz CEQKGXRWZGYROO-UHFFFAOYSA-N 1 0 403.448 4.393 20 30 HIEDRO C[NH+](C)C[C@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(F)cc1 ZINC000566591312 946051690 /nfs/dbraw/zinc/05/16/90/946051690.db2.gz XHEDFNFKTFTUDA-QFIPXVFZSA-N 1 0 419.460 4.309 20 30 HIEDRO CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000566670758 946071144 /nfs/dbraw/zinc/07/11/44/946071144.db2.gz BEQOCBJVPKJTOT-UHFFFAOYSA-N 1 0 420.557 4.267 20 30 HIEDRO C=C(C)[C@H](CC(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1)OCC ZINC000567393316 946322793 /nfs/dbraw/zinc/32/27/93/946322793.db2.gz BXXOHWHXGTZWSS-DQEYMECFSA-N 1 0 421.585 4.446 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)CC1 ZINC000568174507 946485699 /nfs/dbraw/zinc/48/56/99/946485699.db2.gz IGIDJSRVJJPJNB-OYMFQORVSA-N 1 0 402.460 4.249 20 30 HIEDRO C[C@H](Cc1cncc2ccccc21)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000569031573 946803283 /nfs/dbraw/zinc/80/32/83/946803283.db2.gz TXRYOERATHYPGU-HXUWFJFHSA-N 1 0 412.537 4.088 20 30 HIEDRO C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000569674794 946935377 /nfs/dbraw/zinc/93/53/77/946935377.db2.gz LEHYZBWJRBSFME-NHCUHLMSSA-N 1 0 423.605 4.155 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000569860323 947022872 /nfs/dbraw/zinc/02/28/72/947022872.db2.gz VAKXWMOOZUELQQ-QRWLVFNGSA-N 1 0 417.600 4.430 20 30 HIEDRO C[C@@H]1[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000570425944 947237594 /nfs/dbraw/zinc/23/75/94/947237594.db2.gz HIAOHPUPZTUMOT-WZONZLPQSA-N 1 0 415.493 4.123 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1OC ZINC000570551631 947291370 /nfs/dbraw/zinc/29/13/70/947291370.db2.gz KHRIALIVACPGGU-PWIZWCRZSA-N 1 0 400.316 4.450 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)cc1 ZINC000570601312 947309914 /nfs/dbraw/zinc/30/99/14/947309914.db2.gz RGXRXOUZVOQRSB-CALCHBBNSA-N 1 0 411.468 4.385 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000570671144 947325334 /nfs/dbraw/zinc/32/53/34/947325334.db2.gz UADDOJPLRYSJRS-TZIWHRDSSA-N 1 0 404.432 4.130 20 30 HIEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000571353624 947614938 /nfs/dbraw/zinc/61/49/38/947614938.db2.gz OUUMKDWYHAVMCU-SIKLNZKXSA-N 1 0 418.541 4.422 20 30 HIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)C2CCC(F)(F)CC2)c1C#N ZINC000571830073 947797778 /nfs/dbraw/zinc/79/77/78/947797778.db2.gz MYZUAZXZAFZQLT-UHFFFAOYSA-N 1 0 414.500 4.473 20 30 HIEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000572009705 947827365 /nfs/dbraw/zinc/82/73/65/947827365.db2.gz ABIRMPUZFDNQCX-UHFFFAOYSA-N 1 0 409.578 4.054 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)c1C#N ZINC000572736139 947994628 /nfs/dbraw/zinc/99/46/28/947994628.db2.gz WBPZCBOTWKKGAQ-RTWAWAEBSA-N 1 0 408.546 4.457 20 30 HIEDRO C[NH+](C)C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccc(F)cc1 ZINC000573010095 948055905 /nfs/dbraw/zinc/05/59/05/948055905.db2.gz KGMYDIPLPCDFGG-KRWDZBQOSA-N 1 0 424.398 4.063 20 30 HIEDRO C[NH+](C)C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccc(F)cc1 ZINC000573010096 948056175 /nfs/dbraw/zinc/05/61/75/948056175.db2.gz KGMYDIPLPCDFGG-QGZVFWFLSA-N 1 0 424.398 4.063 20 30 HIEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000575089833 948589428 /nfs/dbraw/zinc/58/94/28/948589428.db2.gz OVWULYFDBUTDDQ-SJLPKXTDSA-N 1 0 422.454 4.482 20 30 HIEDRO N#Cc1ccc(-c2cc(C(F)(F)N3C[C@@H](CF)[C@H](C4([NH3+])CC4)C3)cnc2Cl)cc1 ZINC001164621854 719127241 /nfs/dbraw/zinc/12/72/41/719127241.db2.gz NMFRJBIBYQXKEI-CRAIPNDOSA-N 1 0 420.866 4.332 20 30 HIEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc4c(cc2C#N)CCCC4)CC3)cs1 ZINC001164693524 719813468 /nfs/dbraw/zinc/81/34/68/719813468.db2.gz WCIWSQPFYLWBJW-UHFFFAOYSA-N 1 0 407.587 4.232 20 30 HIEDRO N#Cc1c(Cl)cc(Cl)nc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2 ZINC001164706892 719905665 /nfs/dbraw/zinc/90/56/65/719905665.db2.gz LKMJFWCSFGNUBH-UHFFFAOYSA-N 1 0 423.369 4.193 20 30 HIEDRO Cc1ccc2nc(N3CC[C@@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c(C#N)c(Cl)c2c1 ZINC001164729029 720489174 /nfs/dbraw/zinc/48/91/74/720489174.db2.gz QRTXCQCKMFWONZ-NHCUHLMSSA-N 1 0 403.917 4.317 20 30 HIEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164731177 720489222 /nfs/dbraw/zinc/48/92/22/720489222.db2.gz WJTVZCVJIDBCAO-VQTJNVASSA-N 1 0 403.917 4.317 20 30 HIEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@H]4[C@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164725336 720490398 /nfs/dbraw/zinc/49/03/98/720490398.db2.gz JUHUNRYJKBQUOB-VQTJNVASSA-N 1 0 421.907 4.456 20 30 HIEDRO CC(C)c1ccc(C#N)c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842755 720666808 /nfs/dbraw/zinc/66/68/08/720666808.db2.gz UATNENOTBKSMDN-JOCHJYFZSA-N 1 0 404.558 4.337 20 30 HIEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4cc(C#N)c5ccccc5n4)CC3)C2)cc1 ZINC001164938620 721930611 /nfs/dbraw/zinc/93/06/11/721930611.db2.gz BDFPUEHHVNXIMO-UHFFFAOYSA-N 1 0 412.537 4.286 20 30 HIEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955358 722013736 /nfs/dbraw/zinc/01/37/36/722013736.db2.gz VAAXZLPKSZXPMS-UHFFFAOYSA-N 1 0 418.932 4.042 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cnn(-c2ccccc2)c1 ZINC000011459924 845799426 /nfs/dbraw/zinc/79/94/26/845799426.db2.gz UNWYPPYEARFNQC-UHFFFAOYSA-N 1 0 419.554 4.145 20 30 HIEDRO COc1ccc(NC(=S)C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)[n+]2ccccc2)cc1 ZINC000020834532 846391005 /nfs/dbraw/zinc/39/10/05/846391005.db2.gz MMNHNUIJHQTYFM-UHFFFAOYSA-O 1 0 422.486 4.250 20 30 HIEDRO Cc1cccc(NC(=S)C(C(=O)c2cc(F)ccc2F)[n+]2cccc(CO)c2)c1 ZINC000022729024 846610334 /nfs/dbraw/zinc/61/03/34/846610334.db2.gz OMKUGICORFMJAJ-UHFFFAOYSA-O 1 0 413.469 4.104 20 30 HIEDRO Cc1ccc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NCc2ccccc2)c1 ZINC000022730790 846610589 /nfs/dbraw/zinc/61/05/89/846610589.db2.gz NCDSSBVCDOMPBH-UHFFFAOYSA-O 1 0 401.555 4.500 20 30 HIEDRO COc1ccc(NC(=S)C(C(=O)c2cc(C)ccc2C)[n+]2cccc(CO)c2)cc1 ZINC000022731219 846611728 /nfs/dbraw/zinc/61/17/28/846611728.db2.gz QCFQVBSNFSTYER-UHFFFAOYSA-O 1 0 421.542 4.143 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc(CCC)cc1 ZINC000022798611 846622831 /nfs/dbraw/zinc/62/28/31/846622831.db2.gz NXSUMHXIZLAIIN-UHFFFAOYSA-O 1 0 412.535 4.248 20 30 HIEDRO N#Cc1c(NC(=O)CCN2CC[NH+](Cc3ccccc3)CC2)sc2c1CCCCC2 ZINC000023468150 846703695 /nfs/dbraw/zinc/70/36/95/846703695.db2.gz IXXWGCZCCDRKSL-UHFFFAOYSA-N 1 0 422.598 4.035 20 30 HIEDRO Cc1ccc([C@@H](OC[C@H](O)C[N@@H+](C)Cc2cccc(C#N)c2)c2ccccc2)cc1 ZINC000027208192 847266992 /nfs/dbraw/zinc/26/69/92/847266992.db2.gz RJDCVFAVPSKWOV-FTJBHMTQSA-N 1 0 400.522 4.466 20 30 HIEDRO C=CCNC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000028776868 847459117 /nfs/dbraw/zinc/45/91/17/847459117.db2.gz PZWIZYKSEATYEM-UHFFFAOYSA-O 1 0 412.535 4.203 20 30 HIEDRO N#Cc1ccc(CN2CC[NH+](CCC(=O)Nc3ccccc3-c3ccccc3)CC2)cc1 ZINC000028879458 847471876 /nfs/dbraw/zinc/47/18/76/847471876.db2.gz MTIBQBCIEMRMCO-UHFFFAOYSA-N 1 0 424.548 4.372 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1Br ZINC000030509663 847724970 /nfs/dbraw/zinc/72/49/70/847724970.db2.gz PDIJXVDNYFZBKU-OLZOCXBDSA-N 1 0 402.292 4.007 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1cccs1 ZINC000032486002 848037899 /nfs/dbraw/zinc/03/78/99/848037899.db2.gz DRPPIPKAHMRLBZ-NRFANRHFSA-N 1 0 405.523 4.231 20 30 HIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045756264 848722926 /nfs/dbraw/zinc/72/29/26/848722926.db2.gz XFHQPFQBGGAIAT-UHFFFAOYSA-N 1 0 404.967 4.159 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3ccccc3Cn3cncn3)c2)c1 ZINC000047701767 849093019 /nfs/dbraw/zinc/09/30/19/849093019.db2.gz ZNQIZTPAPYGQON-UHFFFAOYSA-N 1 0 409.493 4.067 20 30 HIEDRO COc1ccc([C@@H](CNC(=O)N[C@H](C)c2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000047794009 849113231 /nfs/dbraw/zinc/11/32/31/849113231.db2.gz XVARVIUCCJAPIC-WZONZLPQSA-N 1 0 406.530 4.154 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C3CCN(Cc4ccncc4)CC3)c2)c1 ZINC000048748053 849263148 /nfs/dbraw/zinc/26/31/48/849263148.db2.gz JGYKLUCGUWGVGJ-UHFFFAOYSA-N 1 0 412.537 4.286 20 30 HIEDRO C=CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050136861 849356897 /nfs/dbraw/zinc/35/68/97/849356897.db2.gz ZEIHTKJREMISQH-GOSISDBHSA-N 1 0 401.551 4.497 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nc2ccccc2nc1C ZINC000052485698 849587119 /nfs/dbraw/zinc/58/71/19/849587119.db2.gz JBQWQTLHNFDVGA-UHFFFAOYSA-N 1 0 408.575 4.036 20 30 HIEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cc2ccccc2o1 ZINC000053986383 849786426 /nfs/dbraw/zinc/78/64/26/849786426.db2.gz SXDKJDNHTWSELZ-GOSISDBHSA-N 1 0 402.498 4.283 20 30 HIEDRO COc1cccc(-c2nc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cs2)c1 ZINC000055172556 849981930 /nfs/dbraw/zinc/98/19/30/849981930.db2.gz PQAACTREBIAMHT-UHFFFAOYSA-N 1 0 418.566 4.398 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)Nc1ccccc1C#N ZINC000056153330 850258396 /nfs/dbraw/zinc/25/83/96/850258396.db2.gz PLDKFVBYHYOFLW-ROUUACIJSA-N 1 0 412.493 4.488 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)Nc1ccccc1C#N ZINC000056201369 850282360 /nfs/dbraw/zinc/28/23/60/850282360.db2.gz SSMMWYIEFLWQSM-ROUUACIJSA-N 1 0 400.482 4.210 20 30 HIEDRO C=CCN(Cc1ccccc1F)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000056562995 850394814 /nfs/dbraw/zinc/39/48/14/850394814.db2.gz MGTMWXULBQXNIV-UHFFFAOYSA-N 1 0 410.537 4.496 20 30 HIEDRO CCCOc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000056747348 850464068 /nfs/dbraw/zinc/46/40/68/850464068.db2.gz ATFDJOLJMYPMJV-UHFFFAOYSA-N 1 0 406.530 4.395 20 30 HIEDRO COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000057042236 850538613 /nfs/dbraw/zinc/53/86/13/850538613.db2.gz PPFSPHYZMRNUJD-HSZRJFAPSA-N 1 0 417.553 4.111 20 30 HIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000061139711 851303321 /nfs/dbraw/zinc/30/33/21/851303321.db2.gz AMMWNOVIPMXKJJ-UHFFFAOYSA-N 1 0 404.558 4.139 20 30 HIEDRO Cc1c([C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)nnn1-c1ccc(F)cc1 ZINC000437073417 862269352 /nfs/dbraw/zinc/26/93/52/862269352.db2.gz GOZGYAJCDIVOEP-ULUNDTCASA-N 1 0 420.492 4.022 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000063400884 851679476 /nfs/dbraw/zinc/67/94/76/851679476.db2.gz CNFLJFBSTCTKLM-UHFFFAOYSA-N 1 0 422.529 4.479 20 30 HIEDRO O=C(c1ccccc1)C(C(=S)Nc1ccc2c(c1)OC(F)(F)O2)[n+]1ccccc1 ZINC000063441300 851690045 /nfs/dbraw/zinc/69/00/45/851690045.db2.gz YKYDJVRODZWWCW-UHFFFAOYSA-O 1 0 413.425 4.347 20 30 HIEDRO Cc1nc(CSc2ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc2)cs1 ZINC000064381094 851882643 /nfs/dbraw/zinc/88/26/43/851882643.db2.gz HTOYPYMRZNQLJQ-UHFFFAOYSA-N 1 0 402.589 4.051 20 30 HIEDRO CC(C)[N@H+](C)CC1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000064738979 851973007 /nfs/dbraw/zinc/97/30/07/851973007.db2.gz WMZPQFKZDQDUMW-UHFFFAOYSA-N 1 0 405.542 4.330 20 30 HIEDRO C=CCc1cc(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)cc(OC)c1OC ZINC000065282551 852100023 /nfs/dbraw/zinc/10/00/23/852100023.db2.gz RIZJTDMVJSDTSO-UHFFFAOYSA-N 1 0 423.557 4.028 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[NH+](CC3CCCCC3)CC2)cc1 ZINC000065416748 852125417 /nfs/dbraw/zinc/12/54/17/852125417.db2.gz VATHQZYBGDJEOM-UHFFFAOYSA-N 1 0 424.589 4.231 20 30 HIEDRO Cc1ccccc1C[N@H+]1CCCN(C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 ZINC000065473113 852147191 /nfs/dbraw/zinc/14/71/91/852147191.db2.gz FPHQPKLNKVSRSK-UHFFFAOYSA-N 1 0 406.530 4.394 20 30 HIEDRO N#Cc1ccccc1-c1ccccc1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000106088796 852753303 /nfs/dbraw/zinc/75/33/03/852753303.db2.gz SUKIDYFRAGDYKS-UHFFFAOYSA-N 1 0 424.548 4.167 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000107602147 852780850 /nfs/dbraw/zinc/78/08/50/852780850.db2.gz SAECSYNFLOSZKY-UHFFFAOYSA-N 1 0 419.500 4.480 20 30 HIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CSCc3ccc(C#N)cc3)cc2)C1 ZINC000107715144 852789496 /nfs/dbraw/zinc/78/94/96/852789496.db2.gz CREZBGDCRNVSGO-LJQANCHMSA-N 1 0 407.583 4.340 20 30 HIEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000109371464 852961025 /nfs/dbraw/zinc/96/10/25/852961025.db2.gz TVVZHUAIUGCLLD-UHFFFAOYSA-N 1 0 407.533 4.403 20 30 HIEDRO CCc1ccc2c(C[NH+]3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc(=O)oc2c1 ZINC000116401927 853301497 /nfs/dbraw/zinc/30/14/97/853301497.db2.gz AKYYCZIHVYCDGG-UHFFFAOYSA-N 1 0 415.493 4.078 20 30 HIEDRO CCOc1cc(C[N@H+](C)CCC(=O)Nc2sccc2C#N)ccc1OC(F)F ZINC000116912902 853337158 /nfs/dbraw/zinc/33/71/58/853337158.db2.gz KHVGVVKIZMAQPC-UHFFFAOYSA-N 1 0 409.458 4.080 20 30 HIEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000139936720 853427165 /nfs/dbraw/zinc/42/71/65/853427165.db2.gz ZYEZDMCRMYEKKG-PGRDOPGGSA-N 1 0 411.571 4.052 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2ccc(C)c([N+](=O)[O-])c2)C(=S)N[C@H](C)CC)cc1 ZINC000154528672 853645062 /nfs/dbraw/zinc/64/50/62/853645062.db2.gz SPWJHYUXCAFCKE-OAHLLOKOSA-O 1 0 400.524 4.080 20 30 HIEDRO CCC(C)(C)NC(=S)C(C(=O)c1c(C)noc1C)[n+]1ccc2c(c1)CCCC2 ZINC000186976581 853668873 /nfs/dbraw/zinc/66/88/73/853668873.db2.gz MOEYWPLFUDYQFM-UHFFFAOYSA-O 1 0 400.568 4.175 20 30 HIEDRO C=CCN(Cc1ccccc1F)C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000195548052 853678218 /nfs/dbraw/zinc/67/82/18/853678218.db2.gz WGVDIGZBXPWIOJ-QHCPKHFHSA-N 1 0 411.521 4.369 20 30 HIEDRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1F ZINC000216027539 853843096 /nfs/dbraw/zinc/84/30/96/853843096.db2.gz IWCSXRCYQUBHNJ-ZDUSSCGKSA-N 1 0 401.507 4.326 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@@H](Nc4ccccc4)C3)sc2C1 ZINC000229550787 853891805 /nfs/dbraw/zinc/89/18/05/853891805.db2.gz WYZMUTDOIMMSMG-SJLPKXTDSA-N 1 0 408.571 4.260 20 30 HIEDRO CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000236679670 853911594 /nfs/dbraw/zinc/91/15/94/853911594.db2.gz OVONXEXNAZDMEX-NFBKMPQASA-N 1 0 405.542 4.310 20 30 HIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2c[nH]nc2-c2ccc(OC)cc2)ccc1OC ZINC000236895091 853933910 /nfs/dbraw/zinc/93/39/10/853933910.db2.gz WXNAOJAEHHYFTP-LJQANCHMSA-N 1 0 406.486 4.065 20 30 HIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2c[nH]nc2-c2ccc(OC)cc2)ccc1OC ZINC000237020318 853952707 /nfs/dbraw/zinc/95/27/07/853952707.db2.gz WXNAOJAEHHYFTP-IBGZPJMESA-N 1 0 406.486 4.065 20 30 HIEDRO COc1cc(OC)c(OC)cc1C[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000237317514 854006074 /nfs/dbraw/zinc/00/60/74/854006074.db2.gz WMCGQFVFMZJMJW-UHFFFAOYSA-N 1 0 418.493 4.453 20 30 HIEDRO C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)c1cc(F)ccc1N1CCC(O)CC1 ZINC000237494396 854045275 /nfs/dbraw/zinc/04/52/75/854045275.db2.gz OMDQTHCPBYPMQD-SFHVURJKSA-N 1 0 411.521 4.320 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(Oc4cnccn4)cc3)C2)c(F)c1 ZINC000237713917 854081715 /nfs/dbraw/zinc/08/17/15/854081715.db2.gz TWKXYGCWUHLYMT-LJQANCHMSA-N 1 0 403.461 4.038 20 30 HIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000237828938 854104499 /nfs/dbraw/zinc/10/44/99/854104499.db2.gz BAXTZGQJKWXELI-UHFFFAOYSA-N 1 0 406.448 4.397 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CC3(N4CCCCC4)CCOCC3)c2)c1 ZINC000237853511 854108217 /nfs/dbraw/zinc/10/82/17/854108217.db2.gz WWKMOEFYQGPDFX-UHFFFAOYSA-N 1 0 419.569 4.262 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)nc1 ZINC000237957901 854125319 /nfs/dbraw/zinc/12/53/19/854125319.db2.gz WSJBHWFQMHTAGY-UHFFFAOYSA-N 1 0 419.510 4.349 20 30 HIEDRO C=CC[NH+]1CCC(Nc2nc(-c3cnccn3)nc3sc4c(c32)CCCC4)CC1 ZINC000301173224 854319747 /nfs/dbraw/zinc/31/97/47/854319747.db2.gz KWFMGLLCZAHHDM-UHFFFAOYSA-N 1 0 406.559 4.089 20 30 HIEDRO C=CC[NH+]1CCC(Nc2nc(CN(C)C)nc3scc(-c4ccccc4)c32)CC1 ZINC000301186127 854323157 /nfs/dbraw/zinc/32/31/57/854323157.db2.gz SFBXFPQIIXVSRC-UHFFFAOYSA-N 1 0 407.587 4.482 20 30 HIEDRO Cc1nnc(NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000301295767 854350773 /nfs/dbraw/zinc/35/07/73/854350773.db2.gz RNYBTZXPVVRCSU-QFBILLFUSA-N 1 0 403.452 4.479 20 30 HIEDRO C[N@@H+](Cc1ccccc1)CC1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 ZINC000301418020 854389139 /nfs/dbraw/zinc/38/91/39/854389139.db2.gz RKEVSOBIVZRRKH-UHFFFAOYSA-N 1 0 415.497 4.363 20 30 HIEDRO COc1ccc([C@H](CNc2ccc(Br)cc2C#N)[NH+](C)C)cc1OC ZINC000302589377 854588238 /nfs/dbraw/zinc/58/82/38/854588238.db2.gz VYIKMRHATZPSGY-KRWDZBQOSA-N 1 0 404.308 4.053 20 30 HIEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000302938903 854688977 /nfs/dbraw/zinc/68/89/77/854688977.db2.gz KLGGQAZIQQFQPR-HDICACEKSA-N 1 0 409.496 4.114 20 30 HIEDRO Cc1cccc(-c2nc(CC(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cs2)c1 ZINC000303043493 854735857 /nfs/dbraw/zinc/73/58/57/854735857.db2.gz HKVPGPUNBKSWKX-UHFFFAOYSA-N 1 0 418.566 4.123 20 30 HIEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)o1 ZINC000303129948 854775661 /nfs/dbraw/zinc/77/56/61/854775661.db2.gz AZMJXMYEQOKRGU-UHFFFAOYSA-N 1 0 403.482 4.456 20 30 HIEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000303144792 854783341 /nfs/dbraw/zinc/78/33/41/854783341.db2.gz FDFGCIOGVWBXTD-QHCPKHFHSA-N 1 0 403.526 4.228 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccc(Cl)cc2)CCC1 ZINC000303152102 854787267 /nfs/dbraw/zinc/78/72/67/854787267.db2.gz MXBRIRSRUIQDIF-UHFFFAOYSA-N 1 0 424.976 4.407 20 30 HIEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+]C1(c2ccc(Cl)cc2)CCC1 ZINC000303288574 854854411 /nfs/dbraw/zinc/85/44/11/854854411.db2.gz WKQHUXBENQISCY-UHFFFAOYSA-N 1 0 405.889 4.005 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000303305774 854862317 /nfs/dbraw/zinc/86/23/17/854862317.db2.gz JGLILKTWHNNXIJ-GOSISDBHSA-N 1 0 407.942 4.060 20 30 HIEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)c2)c1 ZINC000303598488 855069050 /nfs/dbraw/zinc/06/90/50/855069050.db2.gz JNJVOIATPZEZDA-HSZRJFAPSA-N 1 0 403.526 4.228 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](c2ccco2)N2CCCCC2)c1 ZINC000303703592 855141708 /nfs/dbraw/zinc/14/17/08/855141708.db2.gz JPCVWUHFECVLSN-IBGZPJMESA-N 1 0 400.523 4.031 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2cccc(NC(=O)C3CCC3)c2)c1 ZINC000303793122 855201057 /nfs/dbraw/zinc/20/10/57/855201057.db2.gz ZDCOABXEJHDZFW-UHFFFAOYSA-N 1 0 410.518 4.149 20 30 HIEDRO CCc1ccc(NC(=[NH2+])NC[C@H]2CCN(c3cccc(Br)c3)C2)cc1 ZINC000303878690 855266668 /nfs/dbraw/zinc/26/66/68/855266668.db2.gz JEQAHKOKXLNLAN-MRXNPFEDSA-N 1 0 401.352 4.265 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCc2cccc(NC(=O)C3CCCCC3)c2)cc1OC ZINC000303879027 855266789 /nfs/dbraw/zinc/26/67/89/855266789.db2.gz JLMKUDYGVMMNBG-UHFFFAOYSA-N 1 0 410.518 4.149 20 30 HIEDRO COc1ccc(NC(=[NH2+])NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1OC ZINC000303883953 855269702 /nfs/dbraw/zinc/26/97/02/855269702.db2.gz IXPCKFIGYSHCBQ-KRWDZBQOSA-N 1 0 420.916 4.060 20 30 HIEDRO CCOc1ccc(Oc2cc(CNC(=[NH2+])Nc3ccc(OC)c(OC)c3)ccn2)cc1 ZINC000303894981 855274329 /nfs/dbraw/zinc/27/43/29/855274329.db2.gz PGYDKMVFDXDCOR-UHFFFAOYSA-N 1 0 422.485 4.217 20 30 HIEDRO Cc1ccc(NC(=[NH2+])NC[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1C ZINC000303894235 855274773 /nfs/dbraw/zinc/27/47/73/855274773.db2.gz SJHVPNKNMHZBNB-INIZCTEOSA-N 1 0 401.352 4.319 20 30 HIEDRO Cc1ccc(NC(=[NH2+])NC[C@@H]2CCN(c3cccc(Br)c3)C2)cc1C ZINC000303897398 855275536 /nfs/dbraw/zinc/27/55/36/855275536.db2.gz VBIUECMVVCRHOY-INIZCTEOSA-N 1 0 401.352 4.319 20 30 HIEDRO CC(=O)Nc1cccc(OCCNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)c1 ZINC000304525422 855356106 /nfs/dbraw/zinc/35/61/06/855356106.db2.gz ZFEKZDIAKJNOOZ-UHFFFAOYSA-N 1 0 404.470 4.243 20 30 HIEDRO [NH2+]=C(NCc1ccc(Cn2cnc3ccccc32)cc1)N[C@@H]1CCOc2ccccc21 ZINC000304488436 855356285 /nfs/dbraw/zinc/35/62/85/855356285.db2.gz KUSZGQDZQPKSDD-OAQYLSRUSA-N 1 0 411.509 4.013 20 30 HIEDRO [NH2+]=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cccc(Oc2ccccc2)c1 ZINC000304480867 855356437 /nfs/dbraw/zinc/35/64/37/855356437.db2.gz IKYNXJNVOQBMHK-UHFFFAOYSA-N 1 0 420.488 4.381 20 30 HIEDRO [NH2+]=C(NCc1ccc(-c2nc3ccccc3s2)o1)N[C@@H]1CCOc2ccccc21 ZINC000304489846 855356546 /nfs/dbraw/zinc/35/65/46/855356546.db2.gz LKBKNTXMJHNICK-MRXNPFEDSA-N 1 0 404.495 4.484 20 30 HIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1 ZINC000304994779 855358677 /nfs/dbraw/zinc/35/86/77/855358677.db2.gz FIVMBKOFQMFPFS-MSOLQXFVSA-N 1 0 410.562 4.470 20 30 HIEDRO [NH2+]=C(NCc1csc(CCc2ccccc2)n1)Nc1ccc2c(c1)OCCCO2 ZINC000304817008 855358700 /nfs/dbraw/zinc/35/87/00/855358700.db2.gz YLOHQBUCSKLLAD-UHFFFAOYSA-N 1 0 408.527 4.016 20 30 HIEDRO CC1CCN(c2ccc(CNC(=[NH2+])Nc3ccccc3OC(F)(F)F)cn2)CC1 ZINC000305229382 855360350 /nfs/dbraw/zinc/36/03/50/855360350.db2.gz LNNPIPSMAZNHCW-UHFFFAOYSA-N 1 0 407.440 4.143 20 30 HIEDRO [NH2+]=C(NCc1ccccc1-c1ccc(Cn2cncn2)cc1)NC1CCCCCC1 ZINC000305747755 855361131 /nfs/dbraw/zinc/36/11/31/855361131.db2.gz TVPSBVXZKOZKTD-UHFFFAOYSA-N 1 0 402.546 4.121 20 30 HIEDRO N#CC1(CCC[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)CCOCC1 ZINC000410306894 855918656 /nfs/dbraw/zinc/91/86/56/855918656.db2.gz CQKCMRLGJIVBJB-UHFFFAOYSA-N 1 0 403.570 4.494 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC(n4ccc([N+](=O)[O-])n4)CC3)c2)c1 ZINC000425972958 856024734 /nfs/dbraw/zinc/02/47/34/856024734.db2.gz DSVIYVCCPRKDQD-UHFFFAOYSA-N 1 0 417.469 4.079 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CCC[C@@H](Oc3ncccc3F)C2)c(-c2ccccc2)n1 ZINC000425976258 856025574 /nfs/dbraw/zinc/02/55/74/856025574.db2.gz PRLOHODKOUTDPR-HXUWFJFHSA-N 1 0 405.477 4.041 20 30 HIEDRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc(C#N)cc3Cl)CC2)cc1 ZINC000426155521 856143669 /nfs/dbraw/zinc/14/36/69/856143669.db2.gz YFMKXCILIISLGL-UHFFFAOYSA-N 1 0 412.921 4.254 20 30 HIEDRO O=C(C1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1)N1CCc2ccccc21 ZINC000426419185 856281322 /nfs/dbraw/zinc/28/13/22/856281322.db2.gz HTMGXZFCMUEWLW-UHFFFAOYSA-N 1 0 412.455 4.358 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(F)cc1 ZINC000426654035 856395793 /nfs/dbraw/zinc/39/57/93/856395793.db2.gz HPTNNDWTVZKGJF-UHFFFAOYSA-N 1 0 414.529 4.008 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000429122304 857519604 /nfs/dbraw/zinc/51/96/04/857519604.db2.gz KIGWZNVTWPUDDS-PZPWOCDFSA-N 1 0 415.584 4.230 20 30 HIEDRO CSC[C@@H]1CCC[N@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000429277412 857587643 /nfs/dbraw/zinc/58/76/43/857587643.db2.gz VPQSUCYMPSLIGE-GOSISDBHSA-N 1 0 414.575 4.022 20 30 HIEDRO CC[NH+](CC)Cc1cccc(CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1 ZINC000429592347 857775640 /nfs/dbraw/zinc/77/56/40/857775640.db2.gz LIOREZQGQALHPH-UHFFFAOYSA-N 1 0 415.541 4.236 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000429771138 857879284 /nfs/dbraw/zinc/87/92/84/857879284.db2.gz XZHBNXFPEVKCDM-LJQANCHMSA-N 1 0 408.502 4.307 20 30 HIEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)nc1 ZINC000430188660 858073531 /nfs/dbraw/zinc/07/35/31/858073531.db2.gz UWDCWGPZAMXHBK-GOSISDBHSA-N 1 0 406.467 4.243 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C#N ZINC000430742171 858284012 /nfs/dbraw/zinc/28/40/12/858284012.db2.gz OCJLQANLMLOZPB-VQIMIIECSA-N 1 0 420.582 4.335 20 30 HIEDRO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cccc(OCc3ccccc3C#N)c1)C[C@H](C)O2 ZINC000430765095 858296429 /nfs/dbraw/zinc/29/64/29/858296429.db2.gz DUSWLHZAWUOWHM-RNHFSVANSA-N 1 0 406.526 4.296 20 30 HIEDRO CC[NH+](CC)CCN(C(=O)c1cc(C#N)cs1)c1cccc(Br)c1 ZINC000437666682 863008682 /nfs/dbraw/zinc/00/86/82/863008682.db2.gz FJEKKKCIDRUTDM-UHFFFAOYSA-N 1 0 406.349 4.371 20 30 HIEDRO CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000430828541 858319894 /nfs/dbraw/zinc/31/98/94/858319894.db2.gz BOGFWXHLIVZWDV-IRLDBZIGSA-N 1 0 406.530 4.376 20 30 HIEDRO C=CCN1C(=O)N(CC2CC[NH+](Cc3cccs3)CC2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431170828 858485404 /nfs/dbraw/zinc/48/54/04/858485404.db2.gz ZBFKDQWSGVHEAN-QFIPXVFZSA-N 1 0 423.582 4.022 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000431204854 858501796 /nfs/dbraw/zinc/50/17/96/858501796.db2.gz GZDLAIXNGLBEEG-LOSJGSFVSA-N 1 0 412.537 4.341 20 30 HIEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@@H](CCCC#N)c3ccccc3)cc2)CC1 ZINC000431320816 858563511 /nfs/dbraw/zinc/56/35/11/858563511.db2.gz OMAHOLYPDPTHLV-DEOSSOPVSA-N 1 0 420.557 4.394 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431700318 858749833 /nfs/dbraw/zinc/74/98/33/858749833.db2.gz VBNPCNWFSNHNMZ-SIKLNZKXSA-N 1 0 422.529 4.346 20 30 HIEDRO N#CCCC[C@H](NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000431935164 858877153 /nfs/dbraw/zinc/87/71/53/858877153.db2.gz GFYDQZSQFKIFDZ-VWNXMTODSA-N 1 0 404.558 4.285 20 30 HIEDRO N#CCCC[C@@H]([NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 ZINC000433013708 859478663 /nfs/dbraw/zinc/47/86/63/859478663.db2.gz PDCWMCZPILESND-JOCHJYFZSA-N 1 0 404.514 4.167 20 30 HIEDRO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000433016872 859479715 /nfs/dbraw/zinc/47/97/15/859479715.db2.gz VHCJOUWHJJBYQM-XZOQPEGZSA-N 1 0 421.541 4.392 20 30 HIEDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433019973 859482024 /nfs/dbraw/zinc/48/20/24/859482024.db2.gz LXRCYCWIZIWOQB-JOCHJYFZSA-N 1 0 401.514 4.452 20 30 HIEDRO N#CCCC[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)c1ccccc1 ZINC000433031175 859489434 /nfs/dbraw/zinc/48/94/34/859489434.db2.gz YGKGASDLZYZBNF-UYAOXDASSA-N 1 0 421.310 4.353 20 30 HIEDRO COc1ccccc1-c1noc(C2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)n1 ZINC000433161533 859547235 /nfs/dbraw/zinc/54/72/35/859547235.db2.gz YAGUIISVKQUPEW-UHFFFAOYSA-N 1 0 404.470 4.005 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(OC(F)F)c(C(F)(F)F)c1 ZINC000433225939 859578034 /nfs/dbraw/zinc/57/80/34/859578034.db2.gz KLLZJIPZLRHJRZ-UHFFFAOYSA-N 1 0 408.371 4.006 20 30 HIEDRO N#Cc1c(NC(=O)C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)sc2c1CCCCC2 ZINC000433299948 859624203 /nfs/dbraw/zinc/62/42/03/859624203.db2.gz CMRJBJUXAHYRLU-QFIPXVFZSA-N 1 0 423.582 4.321 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCc2ccc(OC(F)(F)F)cc2)c(-c2ccncc2)n1 ZINC000433313450 859633128 /nfs/dbraw/zinc/63/31/28/859633128.db2.gz QMKPUAHYQVDVHJ-UHFFFAOYSA-N 1 0 415.419 4.090 20 30 HIEDRO CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433317605 859636018 /nfs/dbraw/zinc/63/60/18/859636018.db2.gz DTAHDNCTYGFILK-XZOQPEGZSA-N 1 0 415.541 4.332 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccnc(OCc3ccccc3)c2)c(-c2ccncc2)n1 ZINC000433321122 859638702 /nfs/dbraw/zinc/63/87/02/859638702.db2.gz MXQXLSWEJVNARN-UHFFFAOYSA-N 1 0 424.508 4.123 20 30 HIEDRO CN1CCC[C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]1c1cccs1 ZINC000433320201 859639581 /nfs/dbraw/zinc/63/95/81/859639581.db2.gz TXYJNJGLLKNYMG-XXBNENTESA-N 1 0 420.586 4.093 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCCO[C@H]2CCCc3ccccc32)c(-c2ccncc2)n1 ZINC000433329956 859646824 /nfs/dbraw/zinc/64/68/24/859646824.db2.gz AAMBBJUIRDAULN-DEOSSOPVSA-N 1 0 415.541 4.433 20 30 HIEDRO CC(C)(C)c1cccc(OCC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000433331006 859647049 /nfs/dbraw/zinc/64/70/49/859647049.db2.gz DIUPXIBZCQDHSC-UHFFFAOYSA-N 1 0 403.530 4.325 20 30 HIEDRO C=CCOc1ccc(C(=O)Nc2c(C)cnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000434312764 860273324 /nfs/dbraw/zinc/27/33/24/860273324.db2.gz POXFITFQRJCCIT-QFIPXVFZSA-N 1 0 416.525 4.456 20 30 HIEDRO COC(=O)[C@@H](NCc1ccccc1-c1ccc(C[NH+](C)C)cc1)c1cccc(C#N)c1 ZINC000434863058 860526980 /nfs/dbraw/zinc/52/69/80/860526980.db2.gz XOHISAFTGYPIIJ-VWLOTQADSA-N 1 0 413.521 4.291 20 30 HIEDRO CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434980324 860584229 /nfs/dbraw/zinc/58/42/29/860584229.db2.gz CVWCIVDDCSTFTA-ZHRRBRCNSA-N 1 0 409.921 4.378 20 30 HIEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000434985865 860585910 /nfs/dbraw/zinc/58/59/10/860585910.db2.gz KZQOGIJGOUUTPJ-GOTSBHOMSA-N 1 0 419.504 4.350 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c(-c2ccncc2)n1 ZINC000435137624 860659426 /nfs/dbraw/zinc/65/94/26/860659426.db2.gz MYDOPWHPFQKTEB-UHFFFAOYSA-N 1 0 411.513 4.115 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000435739245 861020007 /nfs/dbraw/zinc/02/00/07/861020007.db2.gz FQMJWGLRVFGYAU-MBSDFSHPSA-N 1 0 412.486 4.253 20 30 HIEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000437960889 863331543 /nfs/dbraw/zinc/33/15/43/863331543.db2.gz WWOBRSLXRJIJGD-BAGYTPMASA-N 1 0 421.566 4.033 20 30 HIEDRO C[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000438003197 863363878 /nfs/dbraw/zinc/36/38/78/863363878.db2.gz VUFXCUUTKASGGO-MRXNPFEDSA-N 1 0 414.456 4.288 20 30 HIEDRO CC(C)(C)OC(=O)c1cccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1 ZINC000438466932 863888458 /nfs/dbraw/zinc/88/84/58/863888458.db2.gz AHJZFSLDWDMKJQ-UHFFFAOYSA-N 1 0 407.514 4.388 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000438469371 863889802 /nfs/dbraw/zinc/88/98/02/863889802.db2.gz VVQVQSFLKDTKIT-UHFFFAOYSA-N 1 0 404.283 4.335 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000438473928 863891789 /nfs/dbraw/zinc/89/17/89/863891789.db2.gz SZHCAOSESGRWLC-UHFFFAOYSA-N 1 0 404.283 4.335 20 30 HIEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H](O)COCc2cccs2)cc1 ZINC000438728685 864212594 /nfs/dbraw/zinc/21/25/94/864212594.db2.gz CATIALWOJMPVQS-QFIPXVFZSA-N 1 0 410.514 4.339 20 30 HIEDRO CCCc1c(NC2CC[NH+](Cc3ccccn3)CC2)cnn1-c1cccc(C#N)c1 ZINC000439052128 864502756 /nfs/dbraw/zinc/50/27/56/864502756.db2.gz CERUYYWOVGEPBB-UHFFFAOYSA-N 1 0 400.530 4.168 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH+]2CCC([C@@H]3CCCO3)CC2)sc2c1CCCCC2 ZINC000439273874 864693130 /nfs/dbraw/zinc/69/31/30/864693130.db2.gz LGTHKKIXIRMAPO-IBGZPJMESA-N 1 0 401.576 4.108 20 30 HIEDRO CC[C@](C)(O)C[N@H+](CC(=O)N(CCC#N)c1cccc(C)c1C)Cc1ccccc1 ZINC000439277079 864694678 /nfs/dbraw/zinc/69/46/78/864694678.db2.gz RQBOFKXNEZSGLY-VWLOTQADSA-N 1 0 407.558 4.213 20 30 HIEDRO CN(CCC[NH+]1CCCC1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000439362446 864802751 /nfs/dbraw/zinc/80/27/51/864802751.db2.gz VHDZUDCVGWVHOU-UHFFFAOYSA-N 1 0 406.530 4.281 20 30 HIEDRO N#CCC[C@H](NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000439384166 864812355 /nfs/dbraw/zinc/81/23/55/864812355.db2.gz YHOVCWSNIOIMDE-QFIPXVFZSA-N 1 0 408.571 4.444 20 30 HIEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 ZINC000439392768 864816725 /nfs/dbraw/zinc/81/67/25/864816725.db2.gz APMCZGIPYZAPKC-AWEZNQCLSA-N 1 0 417.435 4.319 20 30 HIEDRO C=C(C)CN(Cc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000467935319 881808152 /nfs/dbraw/zinc/80/81/52/881808152.db2.gz LUUURYXJKDXTKV-UHFFFAOYSA-N 1 0 422.573 4.447 20 30 HIEDRO Cc1ccccc1C1(C[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CCOCC1 ZINC000439570131 864892830 /nfs/dbraw/zinc/89/28/30/864892830.db2.gz MDEFOGBOJSERGP-FQEVSTJZSA-N 1 0 423.532 4.107 20 30 HIEDRO CCCc1c(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)cnn1-c1cccc(C#N)c1 ZINC000439663433 864993114 /nfs/dbraw/zinc/99/31/14/864993114.db2.gz LOXKFAWNHHAWAO-UHFFFAOYSA-N 1 0 408.550 4.081 20 30 HIEDRO CCCc1c(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cnn1-c1cccc(C#N)c1 ZINC000439664333 864994382 /nfs/dbraw/zinc/99/43/82/864994382.db2.gz NZLNVMMEWMZIGX-QHCPKHFHSA-N 1 0 416.529 4.121 20 30 HIEDRO CCCc1c(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cnn1-c1cccc(C#N)c1 ZINC000439693388 865029309 /nfs/dbraw/zinc/02/93/09/865029309.db2.gz LGIRZSCWESYAQO-FQEVSTJZSA-N 1 0 420.561 4.082 20 30 HIEDRO C[C@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc(C#N)cc1F ZINC000468028495 881861601 /nfs/dbraw/zinc/86/16/01/881861601.db2.gz IBRUOSMEOPKQRT-BBRMVZONSA-N 1 0 405.395 4.168 20 30 HIEDRO C[C@@H]([NH2+]C1(CNC(=O)N[C@@H](CCC#N)c2ccccc2)CCOCC1)c1ccccc1 ZINC000440238400 865476299 /nfs/dbraw/zinc/47/62/99/865476299.db2.gz BXUFZWKVUISFQQ-OFNKIYASSA-N 1 0 420.557 4.231 20 30 HIEDRO COc1cc(CNc2cc(NC(=O)C[N@@H+]3CCCC[C@H]3C)ccc2F)ccc1C#N ZINC000440625583 865845736 /nfs/dbraw/zinc/84/57/36/865845736.db2.gz PDPXGAWWPKRYCW-MRXNPFEDSA-N 1 0 410.493 4.131 20 30 HIEDRO C[N@@H+]1CC[C@@H](CNC(=O)NCC2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000440982179 866064049 /nfs/dbraw/zinc/06/40/49/866064049.db2.gz ALJJHKVLKSEMAP-OVSDUUTQSA-N 1 0 406.933 4.101 20 30 HIEDRO C[N@@H+]1CC[C@H](CNC(=O)NCC2CCC(C#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000440982185 866064657 /nfs/dbraw/zinc/06/46/57/866064657.db2.gz ALJJHKVLKSEMAP-VQIVBJKUSA-N 1 0 406.933 4.101 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441232865 866307967 /nfs/dbraw/zinc/30/79/67/866307967.db2.gz SSIARSWWBPOOSM-WOJBJXKFSA-N 1 0 412.578 4.169 20 30 HIEDRO C[C@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[N@@H+]1C1CC1 ZINC000441290042 866364031 /nfs/dbraw/zinc/36/40/31/866364031.db2.gz WWCDYCFVBLONCF-HTAPYJJXSA-N 1 0 406.505 4.034 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1C ZINC000441358301 866426875 /nfs/dbraw/zinc/42/68/75/866426875.db2.gz PJBTXUIUVMIMQR-HSZRJFAPSA-N 1 0 405.542 4.089 20 30 HIEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c(OC)c1 ZINC000441368532 866437749 /nfs/dbraw/zinc/43/77/49/866437749.db2.gz ZPWRJQVPUSGEHE-GOTSBHOMSA-N 1 0 410.558 4.067 20 30 HIEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c(OC)c1 ZINC000441368534 866438057 /nfs/dbraw/zinc/43/80/57/866438057.db2.gz ZPWRJQVPUSGEHE-PKTZIBPZSA-N 1 0 410.558 4.067 20 30 HIEDRO COc1cc(C[NH2+]CC2CCC(C#N)CC2)cc(Br)c1OC(F)F ZINC000441381487 866452228 /nfs/dbraw/zinc/45/22/28/866452228.db2.gz QGROPZJYDNXXPZ-UHFFFAOYSA-N 1 0 403.267 4.479 20 30 HIEDRO C[NH+](C)CC1CCC(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000442189981 867213135 /nfs/dbraw/zinc/21/31/35/867213135.db2.gz DADOSRBHLDAFPJ-UHFFFAOYSA-N 1 0 419.529 4.052 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)s1)C(=O)N(CCC#N)c1ccccc1 ZINC000442742797 867659543 /nfs/dbraw/zinc/65/95/43/867659543.db2.gz YGNVYSMQCOQTHY-ZIAGYGMSSA-N 1 0 406.349 4.497 20 30 HIEDRO COc1cc(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)ccc1C#N ZINC000442800994 867679311 /nfs/dbraw/zinc/67/93/11/867679311.db2.gz LLQPMLPFJWQUJD-INIZCTEOSA-N 1 0 415.419 4.008 20 30 HIEDRO N#CC1CCC(C[NH2+][C@H]2CCCOc3ccc(I)cc32)CC1 ZINC000442849563 867696762 /nfs/dbraw/zinc/69/67/62/867696762.db2.gz CDLBJKGGSZYTHI-KVULBXGLSA-N 1 0 410.299 4.424 20 30 HIEDRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CC2CCC(C#N)CC2)c2ccc(F)cc2)c1 ZINC000442879905 867711584 /nfs/dbraw/zinc/71/15/84/867711584.db2.gz XEXWYVHEUDSBOD-XWTGJVNOSA-N 1 0 400.519 4.238 20 30 HIEDRO C[N@H+](CCCSCC#N)Cc1cccc(Br)c1OC[C@H]1CCCO1 ZINC000442893619 867726491 /nfs/dbraw/zinc/72/64/91/867726491.db2.gz TVROYWZFIRCNDZ-MRXNPFEDSA-N 1 0 413.381 4.086 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)c(O)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000442961567 867765898 /nfs/dbraw/zinc/76/58/98/867765898.db2.gz BJZFZRMPHSTPBI-PXNSSMCTSA-N 1 0 417.431 4.096 20 30 HIEDRO COc1ccccc1C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1SC[C@@H](C)C#N ZINC000444233982 868682792 /nfs/dbraw/zinc/68/27/92/868682792.db2.gz CBBWBAJAENXUMA-ROUUACIJSA-N 1 0 411.571 4.448 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000444385202 868803315 /nfs/dbraw/zinc/80/33/15/868803315.db2.gz ANKLENRBMWHQJS-UHFFFAOYSA-N 1 0 421.501 4.058 20 30 HIEDRO N#CC(CC[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1)(c1ccccc1)c1ccccc1 ZINC000444609904 868902959 /nfs/dbraw/zinc/90/29/59/868902959.db2.gz NOKCYFHXSKZWOC-NRFANRHFSA-N 1 0 411.553 4.304 20 30 HIEDRO N#CC(CC[N@@H+]1CCCC[C@@H]1CN1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000444649135 868931565 /nfs/dbraw/zinc/93/15/65/868931565.db2.gz IRVNHURRCKETOD-RUZDIDTESA-N 1 0 403.570 4.073 20 30 HIEDRO CCC[C@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CC[N@@H+]1CCOC ZINC000444688473 868958233 /nfs/dbraw/zinc/95/82/33/868958233.db2.gz KCBODKUKMOWZIP-VWLOTQADSA-N 1 0 405.586 4.319 20 30 HIEDRO C=CC[C@@H]1[N@H+](Cc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)CCCC1(C)C ZINC000444776383 868998062 /nfs/dbraw/zinc/99/80/62/868998062.db2.gz CLPDIMGLHBGTLO-SFHVURJKSA-N 1 0 401.507 4.329 20 30 HIEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000445987632 869951372 /nfs/dbraw/zinc/95/13/72/869951372.db2.gz HAVLQTXJSSXLEX-WOJBJXKFSA-N 1 0 422.472 4.277 20 30 HIEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@@H]2CCC[C@H]2c2ccccc2C(F)(F)F)c1 ZINC000445996150 869959697 /nfs/dbraw/zinc/95/96/97/869959697.db2.gz WNIHIMXMHPUGMW-AZUAARDMSA-N 1 0 401.432 4.119 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(CO)(Cc3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000446842254 870761905 /nfs/dbraw/zinc/76/19/05/870761905.db2.gz DOJPBRATAQLRSW-UHFFFAOYSA-N 1 0 414.553 4.281 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3cc(C(C)(C)C)n[nH]3)sc2C1 ZINC000447403308 871314037 /nfs/dbraw/zinc/31/40/37/871314037.db2.gz DLYOCQQLLMGNPE-CQSZACIVSA-N 1 0 413.591 4.226 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000448201659 872092267 /nfs/dbraw/zinc/09/22/67/872092267.db2.gz HURSEIZEHSIFJQ-BWKNWUBXSA-N 1 0 415.537 4.226 20 30 HIEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 ZINC000448314960 872250348 /nfs/dbraw/zinc/25/03/48/872250348.db2.gz VSCCJLHXDTXHIK-JOCHJYFZSA-N 1 0 405.542 4.235 20 30 HIEDRO N#Cc1ccc(Nc2cccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2)cc1 ZINC000448450854 872396908 /nfs/dbraw/zinc/39/69/08/872396908.db2.gz WGAYNWSWTCZFSS-RDPSFJRHSA-N 1 0 400.526 4.391 20 30 HIEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460195409 872769065 /nfs/dbraw/zinc/76/90/65/872769065.db2.gz IAQHLOJZOFFXJO-CVDCTZTESA-N 1 0 414.557 4.326 20 30 HIEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460380207 873021425 /nfs/dbraw/zinc/02/14/25/873021425.db2.gz MDWFNCILHIJNAU-GCJKJVERSA-N 1 0 406.578 4.093 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460382655 873024846 /nfs/dbraw/zinc/02/48/46/873024846.db2.gz CIJANRRALXIPII-CMKODMSKSA-N 1 0 413.541 4.196 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460546637 873251003 /nfs/dbraw/zinc/25/10/03/873251003.db2.gz VMSVSUAUGNEHQG-WMZOPIPTSA-N 1 0 415.969 4.246 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000460572892 873306832 /nfs/dbraw/zinc/30/68/32/873306832.db2.gz CEDNFRNZRPQIGJ-ITTUMRLJSA-N 1 0 409.578 4.051 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460572888 873307356 /nfs/dbraw/zinc/30/73/56/873307356.db2.gz CEDNFRNZRPQIGJ-CUXKYVRBSA-N 1 0 409.578 4.051 20 30 HIEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460765777 873608864 /nfs/dbraw/zinc/60/88/64/873608864.db2.gz DEJLQGJLCHHBLR-QUCCMNQESA-N 1 0 418.545 4.239 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460773072 873622657 /nfs/dbraw/zinc/62/26/57/873622657.db2.gz JEXKCICTFDIRFR-SWUCNREESA-N 1 0 421.589 4.162 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460786519 873645074 /nfs/dbraw/zinc/64/50/74/873645074.db2.gz KCXITTYUFGLQNS-SJLPKXTDSA-N 1 0 417.985 4.492 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460804524 873679149 /nfs/dbraw/zinc/67/91/49/873679149.db2.gz OINSCJZVOCIKSE-PMACEKPBSA-N 1 0 403.615 4.083 20 30 HIEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460810553 873688734 /nfs/dbraw/zinc/68/87/34/873688734.db2.gz DADCBDPTWXBGIP-PZJWPPBQSA-N 1 0 406.578 4.024 20 30 HIEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000460935814 873836159 /nfs/dbraw/zinc/83/61/59/873836159.db2.gz WXRPMBKXCHTHIP-VQTJNVASSA-N 1 0 402.546 4.015 20 30 HIEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460935812 873836572 /nfs/dbraw/zinc/83/65/72/873836572.db2.gz WXRPMBKXCHTHIP-PMACEKPBSA-N 1 0 402.546 4.015 20 30 HIEDRO N#CCC[C@H](NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000460936921 873837313 /nfs/dbraw/zinc/83/73/13/873837313.db2.gz ZYUDUSOYSQDTPF-SMIHKQSGSA-N 1 0 402.542 4.195 20 30 HIEDRO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460942481 873842677 /nfs/dbraw/zinc/84/26/77/873842677.db2.gz APDCCEVUGYCPKP-QFIPXVFZSA-N 1 0 423.605 4.103 20 30 HIEDRO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460947308 873845672 /nfs/dbraw/zinc/84/56/72/873845672.db2.gz QUHQZYVVCXQLBQ-UHFFFAOYSA-N 1 0 423.605 4.103 20 30 HIEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460953355 873851518 /nfs/dbraw/zinc/85/15/18/873851518.db2.gz DXODKJRZVQPDIN-ICSRJNTNSA-N 1 0 402.546 4.132 20 30 HIEDRO N#Cc1cc(NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000461450788 874511120 /nfs/dbraw/zinc/51/11/20/874511120.db2.gz BEKCZDYRGIDABG-UHFFFAOYSA-N 1 0 421.888 4.745 20 30 HIEDRO N#Cc1cc(NCc2ccc(C[NH+]3CCCCC3)cc2)nc2ccc([N+](=O)[O-])cc12 ZINC000461460847 874519756 /nfs/dbraw/zinc/51/97/56/874519756.db2.gz QAGNYBYXBHIZDB-UHFFFAOYSA-N 1 0 401.470 4.613 20 30 HIEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468756617 882845227 /nfs/dbraw/zinc/84/52/27/882845227.db2.gz AGVCKWCGSADBED-UHFFFAOYSA-N 1 0 418.522 4.323 20 30 HIEDRO CC(C)(C)OC(=O)c1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1 ZINC000462788457 875841265 /nfs/dbraw/zinc/84/12/65/875841265.db2.gz BJSGRUPBDQHNKE-UHFFFAOYSA-N 1 0 419.525 4.364 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000463201305 876260278 /nfs/dbraw/zinc/26/02/78/876260278.db2.gz DMVJLHNUQFDQIP-VURPSTOHSA-N 1 0 415.603 4.282 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000463579508 876678078 /nfs/dbraw/zinc/67/80/78/876678078.db2.gz SLUCCHHQNLCFIR-UHFFFAOYSA-N 1 0 410.514 4.011 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(-c3noc(-c4ccc(F)cc4)n3)cc2)CC1 ZINC000463792353 876910196 /nfs/dbraw/zinc/91/01/96/876910196.db2.gz WQGUODKMOPPKTK-UHFFFAOYSA-N 1 0 420.488 4.313 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000464368559 877567017 /nfs/dbraw/zinc/56/70/17/877567017.db2.gz VIOXKPRLLIZCQN-UHFFFAOYSA-N 1 0 411.521 4.244 20 30 HIEDRO N#Cc1cccc(-c2nnc(C[N@H+](CCCOc3ccccc3)C3CCOCC3)o2)c1 ZINC000464589790 877815121 /nfs/dbraw/zinc/81/51/21/877815121.db2.gz WVKZKTGUWJXDCQ-UHFFFAOYSA-N 1 0 418.497 4.058 20 30 HIEDRO Cc1ccc(CC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C[C@H]2CCCO2)cc1 ZINC000464771212 878015231 /nfs/dbraw/zinc/01/52/31/878015231.db2.gz CIHDTTRZSQPQIH-JOCHJYFZSA-N 1 0 402.498 4.140 20 30 HIEDRO C=CCOc1ccc(C(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000464944771 878280566 /nfs/dbraw/zinc/28/05/66/878280566.db2.gz PRPOKDMNCUVXAZ-NRFANRHFSA-N 1 0 408.542 4.244 20 30 HIEDRO C=CCOc1ccc(C(=O)N(CC)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000464944772 878281070 /nfs/dbraw/zinc/28/10/70/878281070.db2.gz PRPOKDMNCUVXAZ-OAQYLSRUSA-N 1 0 408.542 4.244 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc2c(cc1Cl)OCCCO2)C(C)C ZINC000503410219 912391701 /nfs/dbraw/zinc/39/17/01/912391701.db2.gz LJSAAYVVTOGKKN-SFHVURJKSA-N 1 0 407.942 4.321 20 30 HIEDRO C[C@H]1CCN(C(=O)NCCSCc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000465632716 879144484 /nfs/dbraw/zinc/14/44/84/879144484.db2.gz LOLBFBJZTOLOFT-FQEVSTJZSA-N 1 0 422.598 4.097 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000465887069 879541743 /nfs/dbraw/zinc/54/17/43/879541743.db2.gz GUHYWLLQFXZPMH-QLBJFCOMSA-N 1 0 416.569 4.032 20 30 HIEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000503488578 912533191 /nfs/dbraw/zinc/53/31/91/912533191.db2.gz NZECGDIIWKXGDT-IBGZPJMESA-N 1 0 410.493 4.130 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@]2(C)CCO[C@@H]2C2CC2)cc1OC ZINC000466461104 880241302 /nfs/dbraw/zinc/24/13/02/880241302.db2.gz BKEPZAPUCMNAAY-WOJBJXKFSA-N 1 0 410.352 4.317 20 30 HIEDRO CC1CC[NH+]([C@@H](CNC(=O)Nc2ncccc2OCCCC#N)c2ccccc2)CC1 ZINC000466628640 880400464 /nfs/dbraw/zinc/40/04/64/880400464.db2.gz QQUHRQZMFVOXFM-NRFANRHFSA-N 1 0 421.545 4.359 20 30 HIEDRO C[NH+](C)CCc1ccc(CNC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000466862212 880630264 /nfs/dbraw/zinc/63/02/64/880630264.db2.gz JEWYVLAZHHNEEC-UHFFFAOYSA-N 1 0 412.537 4.329 20 30 HIEDRO Cc1c([C@@H](C)[NH2+]CCc2cccc(C#N)c2)nnn1-c1cccc(Br)c1 ZINC000467449453 881252294 /nfs/dbraw/zinc/25/22/94/881252294.db2.gz JVUNCILWSZRHLZ-CQSZACIVSA-N 1 0 410.319 4.103 20 30 HIEDRO N#Cc1cccc(-c2cc(C(=O)Nc3ccc(OCC[NH+]4CCCCC4)cc3)on2)c1 ZINC000469147752 883245088 /nfs/dbraw/zinc/24/50/88/883245088.db2.gz XJWJSRVDPXPPHD-UHFFFAOYSA-N 1 0 416.481 4.330 20 30 HIEDRO CC(C)c1nccn1CCC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 ZINC000469372097 883497914 /nfs/dbraw/zinc/49/79/14/883497914.db2.gz WAQSARVTIMQASJ-QFIPXVFZSA-N 1 0 402.498 4.357 20 30 HIEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000469442302 883635856 /nfs/dbraw/zinc/63/58/56/883635856.db2.gz GWHSRFRKTMZKDS-VBSBHUPXSA-N 1 0 410.480 4.186 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)sc2c1CCC2 ZINC000469452718 883655819 /nfs/dbraw/zinc/65/58/19/883655819.db2.gz QMRYRWUXOXUPRG-CYBMUJFWSA-N 1 0 401.482 4.205 20 30 HIEDRO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCCCc1cc(-c2cccc(F)c2)no1 ZINC000469592405 883827989 /nfs/dbraw/zinc/82/79/89/883827989.db2.gz FQBLEWSMXNCLHA-QGZVFWFLSA-N 1 0 412.509 4.076 20 30 HIEDRO C[C@H](C(=O)NC1(C#N)CCC1)[NH+]1CCC(COc2cc(Cl)cc(Cl)c2)CC1 ZINC000469616562 883836490 /nfs/dbraw/zinc/83/64/90/883836490.db2.gz AHGIJTDJTQPAIH-CQSZACIVSA-N 1 0 410.345 4.035 20 30 HIEDRO C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(C)(C)C[NH+](C)C ZINC000469697155 883876253 /nfs/dbraw/zinc/87/62/53/883876253.db2.gz DWPMTVCQSOGFIN-MRXNPFEDSA-N 1 0 412.509 4.374 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000469750212 883909468 /nfs/dbraw/zinc/90/94/68/883909468.db2.gz DDROIYKVLUGMGI-IBGZPJMESA-N 1 0 419.447 4.154 20 30 HIEDRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)c(Cl)c2)n1 ZINC000470336320 884722027 /nfs/dbraw/zinc/72/20/27/884722027.db2.gz HJAJCILKOUSZTG-UHFFFAOYSA-N 1 0 424.892 4.406 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)c1ccccc1Cl ZINC000470739167 885198237 /nfs/dbraw/zinc/19/82/37/885198237.db2.gz YJISICHWFDEHLG-SIKLNZKXSA-N 1 0 408.933 4.093 20 30 HIEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000471004517 885505291 /nfs/dbraw/zinc/50/52/91/885505291.db2.gz HYCXDYZMWUOOPL-IBGZPJMESA-N 1 0 406.452 4.278 20 30 HIEDRO COc1cc(C[N@H+](C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)ccc1O ZINC000471162498 885717570 /nfs/dbraw/zinc/71/75/70/885717570.db2.gz PURSGNKNPMTQOA-UHFFFAOYSA-N 1 0 418.493 4.492 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(N3CCCCC3)c3ncccc23)CC1 ZINC000471401053 886051975 /nfs/dbraw/zinc/05/19/75/886051975.db2.gz IIJGHMNNKRUBCR-UHFFFAOYSA-N 1 0 407.562 4.387 20 30 HIEDRO CSCC[C@H](C)[N@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000472238123 887045187 /nfs/dbraw/zinc/04/51/87/887045187.db2.gz JMJKXGUZLBFXSE-HNNXBMFYSA-N 1 0 402.564 4.020 20 30 HIEDRO CC(C)(C#N)CCC[NH+]1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 ZINC000472441168 887290928 /nfs/dbraw/zinc/29/09/28/887290928.db2.gz UTHBEDGFDNGKQK-UHFFFAOYSA-N 1 0 412.538 4.049 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000472535081 887407991 /nfs/dbraw/zinc/40/79/91/887407991.db2.gz CXMUJABWJNLMHC-GGAORHGYSA-N 1 0 408.521 4.107 20 30 HIEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)C1 ZINC000472713372 887562718 /nfs/dbraw/zinc/56/27/18/887562718.db2.gz LXXXMZSHESHEBO-JOCHJYFZSA-N 1 0 422.529 4.315 20 30 HIEDRO C[C@H](CCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000473013060 887840343 /nfs/dbraw/zinc/84/03/43/887840343.db2.gz ZQMIRNVIOLNWSA-HXUWFJFHSA-N 1 0 420.557 4.022 20 30 HIEDRO N#Cc1ccccc1OCc1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)o1 ZINC000473545650 888283734 /nfs/dbraw/zinc/28/37/34/888283734.db2.gz PPPNZINMWOEFQL-UHFFFAOYSA-N 1 0 407.514 4.257 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000504421197 913235887 /nfs/dbraw/zinc/23/58/87/913235887.db2.gz FBNHOHYSROFUAL-GZOXUSKESA-N 1 0 419.569 4.017 20 30 HIEDRO CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000473668178 888425743 /nfs/dbraw/zinc/42/57/43/888425743.db2.gz ZNNCVRMDOBZFBB-UHFFFAOYSA-N 1 0 412.921 4.349 20 30 HIEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000473989386 888851460 /nfs/dbraw/zinc/85/14/60/888851460.db2.gz ZWVZKXZWOOQWQW-LJQANCHMSA-N 1 0 419.529 4.006 20 30 HIEDRO COc1ccc(OC)c(C[N@H+](CCC(=O)Nc2sccc2C#N)C(C)(C)C)c1 ZINC000474169394 889008521 /nfs/dbraw/zinc/00/85/21/889008521.db2.gz CFQYVHRBUMKBFG-UHFFFAOYSA-N 1 0 401.532 4.266 20 30 HIEDRO COc1cc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)ccc1OCc1cccc(C#N)c1 ZINC000474273650 889138098 /nfs/dbraw/zinc/13/80/98/889138098.db2.gz DYPUPCGQZHHLSE-DEOSSOPVSA-N 1 0 414.505 4.238 20 30 HIEDRO COC(=O)C[C@](C)([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1ccncc1 ZINC000475103413 889952944 /nfs/dbraw/zinc/95/29/44/889952944.db2.gz XZHSUFSBLZBQFK-VWLOTQADSA-N 1 0 415.493 4.100 20 30 HIEDRO CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475312401 890227187 /nfs/dbraw/zinc/22/71/87/890227187.db2.gz XZBAFCRSOVECNV-QFIPXVFZSA-N 1 0 412.493 4.092 20 30 HIEDRO CN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475315165 890230076 /nfs/dbraw/zinc/23/00/76/890230076.db2.gz IZXZHUYMRVSATA-OAQYLSRUSA-N 1 0 415.493 4.077 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CC[C@H](c4cccc(F)c4)C3)CC2)cc1 ZINC000475396494 890323738 /nfs/dbraw/zinc/32/37/38/890323738.db2.gz IJMVYEQAPSZPIN-UPVQGACJSA-N 1 0 420.532 4.251 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000475520675 890443116 /nfs/dbraw/zinc/44/31/16/890443116.db2.gz SJDPRROCJZPPKW-JTHBVZDNSA-N 1 0 408.521 4.107 20 30 HIEDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475578321 890508576 /nfs/dbraw/zinc/50/85/76/890508576.db2.gz ABDMSFXPSMYLHW-LPHOPBHVSA-N 1 0 417.962 4.058 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000475579702 890510047 /nfs/dbraw/zinc/51/00/47/890510047.db2.gz CCUBEAYUCPBACO-VXKWHMMOSA-N 1 0 407.558 4.295 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000475586470 890515065 /nfs/dbraw/zinc/51/50/65/890515065.db2.gz UDXULGCQBOKYGS-UHFFFAOYSA-N 1 0 407.562 4.007 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cc2cccc(F)c2o1 ZINC000475715583 890653095 /nfs/dbraw/zinc/65/30/95/890653095.db2.gz FCXBWGWKBXKSAQ-CQSZACIVSA-N 1 0 418.390 4.409 20 30 HIEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000476762704 891735770 /nfs/dbraw/zinc/73/57/70/891735770.db2.gz DHQPWJTZYKHXQN-KMFTYDHNSA-N 1 0 412.578 4.058 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000476965281 891895571 /nfs/dbraw/zinc/89/55/71/891895571.db2.gz VWWITSILMNOQOF-UHFFFAOYSA-N 1 0 409.578 4.348 20 30 HIEDRO C=C(C)[C@@H](NC(=O)NCc1ccccc1OCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000476982921 891908382 /nfs/dbraw/zinc/90/83/82/891908382.db2.gz HZJPQUFYKVRWSW-OAQYLSRUSA-N 1 0 403.473 4.022 20 30 HIEDRO N#Cc1ccc(CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C2CC2)cc1 ZINC000477224467 892159534 /nfs/dbraw/zinc/15/95/34/892159534.db2.gz SUVMKQKNXJNMAF-WINZOAQQSA-N 1 0 414.553 4.428 20 30 HIEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000477288430 892246136 /nfs/dbraw/zinc/24/61/36/892246136.db2.gz GHQOJDPEBFUPMO-QHCPKHFHSA-N 1 0 408.521 4.284 20 30 HIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(C#N)cc2)cc(I)c1OC ZINC000477337903 892305034 /nfs/dbraw/zinc/30/50/34/892305034.db2.gz LTBBXDZSABKNIO-LBPRGKRZSA-N 1 0 422.266 4.031 20 30 HIEDRO C[C@H](CNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[N@H+](C)Cc1ccccc1 ZINC000477409682 892362826 /nfs/dbraw/zinc/36/28/26/892362826.db2.gz YKDSPIXVRUOEDZ-YUVSOPLDSA-N 1 0 420.557 4.068 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000477482446 892470691 /nfs/dbraw/zinc/47/06/91/892470691.db2.gz IJOBTMVTKAUYJF-SFHVURJKSA-N 1 0 423.538 4.393 20 30 HIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000477601364 892681154 /nfs/dbraw/zinc/68/11/54/892681154.db2.gz YONYIUCSMKQERV-UHFFFAOYSA-N 1 0 420.557 4.153 20 30 HIEDRO C=C(C)CN(CC)C(=O)C[NH2+]C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 ZINC000477646005 892772710 /nfs/dbraw/zinc/77/27/10/892772710.db2.gz XNOFFPSOMVAVSQ-UHFFFAOYSA-N 1 0 422.569 4.286 20 30 HIEDRO N#Cc1cccc(OCCC[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)c1 ZINC000477753419 892845278 /nfs/dbraw/zinc/84/52/78/892845278.db2.gz FEDWKLWVFRRSDD-UHFFFAOYSA-N 1 0 412.921 4.220 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000477829134 892892887 /nfs/dbraw/zinc/89/28/87/892892887.db2.gz SDHZGUMJZZGBGZ-QGZVFWFLSA-N 1 0 410.493 4.272 20 30 HIEDRO Cc1cc(NC(=O)NCC(C)(C)CCC#N)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000477934896 893024221 /nfs/dbraw/zinc/02/42/21/893024221.db2.gz FXEJLIOLODKQJF-FQEVSTJZSA-N 1 0 408.550 4.090 20 30 HIEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2CCCc3nc(CC)sc32)c(OC)c1 ZINC000478036483 893168074 /nfs/dbraw/zinc/16/80/74/893168074.db2.gz KZBAMUPKQUMVNP-MJGOQNOKSA-N 1 0 416.587 4.192 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c(C#N)c1C ZINC000478044607 893184004 /nfs/dbraw/zinc/18/40/04/893184004.db2.gz GXRLQUZFZUDDGU-AEFFLSMTSA-N 1 0 400.567 4.072 20 30 HIEDRO Cc1sc(NC(=O)CN2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c(C#N)c1C ZINC000478052027 893199841 /nfs/dbraw/zinc/19/98/41/893199841.db2.gz FCMVGDMSGFWOGY-INIZCTEOSA-N 1 0 402.608 4.152 20 30 HIEDRO CC1CC[NH+]([C@@H](CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c2cccs2)CC1 ZINC000505174269 913862900 /nfs/dbraw/zinc/86/29/00/913862900.db2.gz BMSZSXRYYKHSEY-FQEVSTJZSA-N 1 0 411.546 4.380 20 30 HIEDRO C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479211593 894476127 /nfs/dbraw/zinc/47/61/27/894476127.db2.gz FSQQAVFPYNAGDR-HXUWFJFHSA-N 1 0 419.569 4.426 20 30 HIEDRO CC(C)Oc1ccc(Cl)cc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479248848 894512753 /nfs/dbraw/zinc/51/27/53/894512753.db2.gz QYHGQCIFWVDZDP-UHFFFAOYSA-N 1 0 411.933 4.415 20 30 HIEDRO N#CC1(NC(=O)COc2cc(Cl)ccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000479347938 894643276 /nfs/dbraw/zinc/64/32/76/894643276.db2.gz RMZJAJQPGODKFJ-UHFFFAOYSA-N 1 0 418.324 4.047 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2cccnc2OCC(F)F)c1 ZINC000480029928 895379170 /nfs/dbraw/zinc/37/91/70/895379170.db2.gz MPVSMTZSBRHMPC-UHFFFAOYSA-N 1 0 409.436 4.466 20 30 HIEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[NH+](C)C ZINC000480302802 895707734 /nfs/dbraw/zinc/70/77/34/895707734.db2.gz VEZDNDCVWPFYTO-KSFYIVLOSA-N 1 0 420.492 4.004 20 30 HIEDRO C[C@@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000480347119 895752649 /nfs/dbraw/zinc/75/26/49/895752649.db2.gz IUNOXDRDOBMPDG-QVKFZJNVSA-N 1 0 422.920 4.210 20 30 HIEDRO C[C@@H]1C[NH+](CCC2CCN(Cc3ccc(C#N)cc3Br)CC2)C[C@@H](C)O1 ZINC000481032910 896360246 /nfs/dbraw/zinc/36/02/46/896360246.db2.gz JFEOFLPXDNZQPF-IAGOWNOFSA-N 1 0 420.395 4.032 20 30 HIEDRO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481185375 896529214 /nfs/dbraw/zinc/52/92/14/896529214.db2.gz UWVGAVZGJMKEGG-HYFFOGBASA-N 1 0 410.949 4.039 20 30 HIEDRO C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481185844 896533334 /nfs/dbraw/zinc/53/33/34/896533334.db2.gz UWVGAVZGJMKEGG-PNLZDCPESA-N 1 0 410.949 4.039 20 30 HIEDRO CC(C)C[C@@H](C)n1nccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000481452686 896848374 /nfs/dbraw/zinc/84/83/74/896848374.db2.gz SYQKJZSUPNTWDS-LJQANCHMSA-N 1 0 408.550 4.102 20 30 HIEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 ZINC000481622340 897006453 /nfs/dbraw/zinc/00/64/53/897006453.db2.gz IHISXFZJCZKZHB-FQEVSTJZSA-N 1 0 405.542 4.379 20 30 HIEDRO COC(=O)c1ccc(COc2ccc(C[N@H+](C)Cc3ccc(C#N)cc3)cc2OC)o1 ZINC000481929596 897313960 /nfs/dbraw/zinc/31/39/60/897313960.db2.gz XCXYPUFCLDXQNH-UHFFFAOYSA-N 1 0 420.465 4.157 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3ccc4ccccc4c3)CC2)cc1 ZINC000505475717 914153712 /nfs/dbraw/zinc/15/37/12/914153712.db2.gz FKAOIMCQDFKMEW-UHFFFAOYSA-N 1 0 412.537 4.171 20 30 HIEDRO Cc1cc(NC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482034139 897446773 /nfs/dbraw/zinc/44/67/73/897446773.db2.gz QIUKDMAUXCRNAK-UHFFFAOYSA-N 1 0 420.557 4.193 20 30 HIEDRO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000482098624 897544247 /nfs/dbraw/zinc/54/42/47/897544247.db2.gz LJFHOPJBUDURLE-KNQAVFIVSA-N 1 0 405.542 4.227 20 30 HIEDRO C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000482262461 897746678 /nfs/dbraw/zinc/74/66/78/897746678.db2.gz CKDOMNFFAFUTPY-WDJPJFJCSA-N 1 0 402.542 4.315 20 30 HIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]CCCc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000482438702 897999786 /nfs/dbraw/zinc/99/97/86/897999786.db2.gz MZNMOWOMPFIIKR-FQEVSTJZSA-N 1 0 402.325 4.188 20 30 HIEDRO C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000482661701 898265240 /nfs/dbraw/zinc/26/52/40/898265240.db2.gz JTLZZXREIXIQRE-IBGZPJMESA-N 1 0 424.504 4.025 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cnn(Cc2ccccc2)c1 ZINC000482887949 898504945 /nfs/dbraw/zinc/50/49/45/898504945.db2.gz LRMMZTXEHMGYSY-PGRDOPGGSA-N 1 0 403.505 4.262 20 30 HIEDRO N#Cc1ccccc1Oc1ccc(C(=O)N2CCN[C@H](c3ccncc3)C2)cc1Cl ZINC000505566245 914270525 /nfs/dbraw/zinc/27/05/25/914270525.db2.gz OEVORINQGFCXCY-FQEVSTJZSA-N 1 0 418.884 4.186 20 30 HIEDRO CCOC(=O)C1(COC)CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000483193992 898851367 /nfs/dbraw/zinc/85/13/67/898851367.db2.gz JTUIOWUMLBVNRZ-UHFFFAOYSA-N 1 0 420.553 4.178 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CC[C@@H](c4ccccc4F)C3)CC2)cc1 ZINC000483383944 899018370 /nfs/dbraw/zinc/01/83/70/899018370.db2.gz QUICVTDPJZSJOE-YADHBBJMSA-N 1 0 420.532 4.251 20 30 HIEDRO CS[C@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000483391281 899025596 /nfs/dbraw/zinc/02/55/96/899025596.db2.gz HUUKPLZELSIAHB-UNMCSNQZSA-N 1 0 423.607 4.361 20 30 HIEDRO CS[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)C[C@H]1[NH+]1CCCC1 ZINC000483393457 899027683 /nfs/dbraw/zinc/02/76/83/899027683.db2.gz JPCVBXHHUNWJIK-DENIHFKCSA-N 1 0 407.539 4.002 20 30 HIEDRO N#Cc1cc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)ccc1OCC(F)(F)F ZINC000483454663 899093195 /nfs/dbraw/zinc/09/31/95/899093195.db2.gz NAAJMQGMNKLWSO-UHFFFAOYSA-N 1 0 410.440 4.028 20 30 HIEDRO C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H](c1ccccc1)[NH+](C)C ZINC000505634084 914334392 /nfs/dbraw/zinc/33/43/92/914334392.db2.gz QQGTZPMHCHDMLA-UZUQRXQVSA-N 1 0 403.482 4.151 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1F ZINC000483954512 899605522 /nfs/dbraw/zinc/60/55/22/899605522.db2.gz LCWKYYIWFXZGOV-HNNXBMFYSA-N 1 0 403.383 4.138 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)c2)cc1 ZINC000505692083 914381552 /nfs/dbraw/zinc/38/15/52/914381552.db2.gz OWNDWTDHRHZLGD-PKTZIBPZSA-N 1 0 404.514 4.080 20 30 HIEDRO C[C@@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485162926 900461989 /nfs/dbraw/zinc/46/19/89/900461989.db2.gz SQADNZDRFUNOJM-SJLPKXTDSA-N 1 0 401.470 4.337 20 30 HIEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485306404 900584406 /nfs/dbraw/zinc/58/44/06/900584406.db2.gz RECGSRSEDPTCLK-OFNKIYASSA-N 1 0 422.960 4.137 20 30 HIEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000485306400 900584555 /nfs/dbraw/zinc/58/45/55/900584555.db2.gz RECGSRSEDPTCLK-NFBKMPQASA-N 1 0 422.960 4.137 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000485335663 900622036 /nfs/dbraw/zinc/62/20/36/900622036.db2.gz PEIFGSGUKKZMTB-HARLFGEKSA-N 1 0 420.557 4.082 20 30 HIEDRO Cc1sc(NC(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000485337787 900626764 /nfs/dbraw/zinc/62/67/64/900626764.db2.gz PHHAGWIDNIPDOR-IRLDBZIGSA-N 1 0 422.598 4.162 20 30 HIEDRO Cc1cc(C)c(NC(=O)CCC[NH+]2CCN([C@H](C#N)c3ccccc3)CC2)c(C)c1 ZINC000485686307 900937022 /nfs/dbraw/zinc/93/70/22/900937022.db2.gz JMXJBEHCSDYYJB-HSZRJFAPSA-N 1 0 404.558 4.213 20 30 HIEDRO CC[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1cc(F)cc(Br)c1 ZINC000486109721 901295996 /nfs/dbraw/zinc/29/59/96/901295996.db2.gz NXUZBUZBDGWFFI-CVEARBPZSA-N 1 0 422.323 4.368 20 30 HIEDRO Cc1cc(Br)cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000486324722 901500833 /nfs/dbraw/zinc/50/08/33/901500833.db2.gz ZYQWBMSRHQXOAT-UHFFFAOYSA-N 1 0 415.335 4.225 20 30 HIEDRO COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cc1C#N ZINC000486463771 901623415 /nfs/dbraw/zinc/62/34/15/901623415.db2.gz SJIUWDJGUDLRBI-HYBUGGRVSA-N 1 0 400.482 4.171 20 30 HIEDRO N#Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](Cc4ccccc4)CC3)cc2)s1 ZINC000486814937 901871692 /nfs/dbraw/zinc/87/16/92/901871692.db2.gz WNUWDNZVSRSSSV-UHFFFAOYSA-N 1 0 416.550 4.190 20 30 HIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cccc(OCc4ccccc4)c3)C2=O)cc1 ZINC000486867499 901912701 /nfs/dbraw/zinc/91/27/01/901912701.db2.gz LXJMRTLBKAXLGG-RUZDIDTESA-N 1 0 411.505 4.028 20 30 HIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(F)c(-c4cccs4)c3)C2=O)cc1 ZINC000486874841 901919356 /nfs/dbraw/zinc/91/93/56/901919356.db2.gz YZOCYZOPWPLOKI-OAQYLSRUSA-N 1 0 405.498 4.317 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000487857693 902408454 /nfs/dbraw/zinc/40/84/54/902408454.db2.gz PHASWSZILHMDKB-UHFFFAOYSA-N 1 0 419.298 4.056 20 30 HIEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cccc(Oc2ccc(Cl)cc2C#N)c1 ZINC000487862643 902413442 /nfs/dbraw/zinc/41/34/42/902413442.db2.gz VRSMDQOJAREISS-FQEVSTJZSA-N 1 0 415.921 4.091 20 30 HIEDRO Cc1ccc2ncc(C#N)c(NCC3([NH2+][C@@H](C)c4ccccc4)CCOCC3)c2c1 ZINC000488072550 902584380 /nfs/dbraw/zinc/58/43/80/902584380.db2.gz VJPJTOFTIDJNNP-IBGZPJMESA-N 1 0 400.526 4.149 20 30 HIEDRO CCOc1ccc([C@@H](CC)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OCC ZINC000488459975 902835168 /nfs/dbraw/zinc/83/51/68/902835168.db2.gz MAUWZTHIUYASJU-YADHBBJMSA-N 1 0 421.541 4.197 20 30 HIEDRO CCOc1ccc([C@@H](CC)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OCC ZINC000488459970 902835341 /nfs/dbraw/zinc/83/53/41/902835341.db2.gz MAUWZTHIUYASJU-FGZHOGPDSA-N 1 0 421.541 4.197 20 30 HIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCCc4ccc(Br)cc43)C2=O)cc1 ZINC000488471846 902843416 /nfs/dbraw/zinc/84/34/16/902843416.db2.gz XMXHLBUSMXLKOI-RTWAWAEBSA-N 1 0 424.342 4.089 20 30 HIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCc4c3cc(Cl)cc4Cl)C2=O)cc1 ZINC000488505343 902861194 /nfs/dbraw/zinc/86/11/94/902861194.db2.gz MYYZEXFDUMTJHJ-WOJBJXKFSA-N 1 0 400.309 4.243 20 30 HIEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000489103909 903197684 /nfs/dbraw/zinc/19/76/84/903197684.db2.gz KQGRGKJIVVSMQC-XMMPIXPASA-N 1 0 414.509 4.273 20 30 HIEDRO C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCSCc2ccccc2C#N)CC1 ZINC000489384250 903355669 /nfs/dbraw/zinc/35/56/69/903355669.db2.gz BXSZNLULJHGKIZ-UHFFFAOYSA-N 1 0 422.598 4.097 20 30 HIEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000489815520 903610273 /nfs/dbraw/zinc/61/02/73/903610273.db2.gz WJGOGEXBCTUDMG-PKTZIBPZSA-N 1 0 408.521 4.282 20 30 HIEDRO CC1(C#N)CC[NH+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000506048157 914741450 /nfs/dbraw/zinc/74/14/50/914741450.db2.gz VOFJWAGQNRWTQB-OAQYLSRUSA-N 1 0 400.469 4.057 20 30 HIEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)Cc2ccc(C#N)cc2)CC1 ZINC000490088111 903764952 /nfs/dbraw/zinc/76/49/52/903764952.db2.gz KEPKTOQWXQYXOY-UHFFFAOYSA-N 1 0 415.459 4.243 20 30 HIEDRO Cn1cc(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)c(-c2ccc(C#N)cc2)n1 ZINC000491167238 904465763 /nfs/dbraw/zinc/46/57/63/904465763.db2.gz LOLAXFXJCJJPIX-NRFANRHFSA-N 1 0 400.482 4.067 20 30 HIEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3O)CC2)cc1Cl ZINC000506139434 914819729 /nfs/dbraw/zinc/81/97/29/914819729.db2.gz XTWDTNCHAUXKDS-UHFFFAOYSA-N 1 0 400.906 4.461 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+][C@@H](CO)c2ccc(Br)c(F)c2)c1 ZINC000492221349 904817896 /nfs/dbraw/zinc/81/78/96/904817896.db2.gz AQGICJPVVNIDNR-IBGZPJMESA-N 1 0 407.283 4.094 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCCC[C@H]2c2nc(-c3ccccc3)no2)CC1 ZINC000492274906 904828076 /nfs/dbraw/zinc/82/80/76/904828076.db2.gz WRGNPDPFRHSDNV-FQEVSTJZSA-N 1 0 409.534 4.014 20 30 HIEDRO COc1ccc([C@H]([NH2+]CCC(=O)N(C)CCC#N)c2ccc(C(F)(F)F)cc2)cc1 ZINC000492515637 904862720 /nfs/dbraw/zinc/86/27/20/904862720.db2.gz OZIIPPGUSVCRSL-OAQYLSRUSA-N 1 0 419.447 4.155 20 30 HIEDRO C[C@@H]1C[N@@H+](CCC2CCN(Cc3cc(C#N)ccc3Br)CC2)C[C@H](C)O1 ZINC000492633941 904880295 /nfs/dbraw/zinc/88/02/95/904880295.db2.gz WAOMAJLXXSNCAF-CALCHBBNSA-N 1 0 420.395 4.032 20 30 HIEDRO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000493635058 905177680 /nfs/dbraw/zinc/17/76/80/905177680.db2.gz LNFAIUHUJAAGGA-AWEZNQCLSA-N 1 0 403.383 4.138 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000493924341 905275782 /nfs/dbraw/zinc/27/57/82/905275782.db2.gz CLNQPXKALVIADU-ICSRJNTNSA-N 1 0 406.530 4.378 20 30 HIEDRO Cc1ccc([C@H]([NH2+]CCOc2ccc(C#N)cc2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000494026294 905368027 /nfs/dbraw/zinc/36/80/27/905368027.db2.gz BGTIUIQZMMCTEW-DEOSSOPVSA-N 1 0 420.534 4.028 20 30 HIEDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000512443731 921164569 /nfs/dbraw/zinc/16/45/69/921164569.db2.gz GOEDTNORORFDBK-HSZRJFAPSA-N 1 0 405.542 4.121 20 30 HIEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494455055 905737627 /nfs/dbraw/zinc/73/76/27/905737627.db2.gz LPEBJQDBZUIVQF-NQSCKRDGSA-N 1 0 405.897 4.067 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)c(C#N)c1C ZINC000494475014 905754215 /nfs/dbraw/zinc/75/42/15/905754215.db2.gz LNZDWBNKCNHAOO-FJNPEDAXSA-N 1 0 405.857 4.007 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000494489201 905773315 /nfs/dbraw/zinc/77/33/15/905773315.db2.gz CGVDJHRKVOJTQH-RVHYNSKXSA-N 1 0 415.896 4.234 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000494491636 905777729 /nfs/dbraw/zinc/77/77/29/905777729.db2.gz JGGSPIBWXUDXMU-BQRZEWRMSA-N 1 0 403.954 4.079 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+][C@H]3CCN(c4ccc(F)c(Cl)c4)C3)CC2)cc1 ZINC000495167484 906281216 /nfs/dbraw/zinc/28/12/16/906281216.db2.gz PZYDPNVQGNXHGZ-FQEVSTJZSA-N 1 0 412.940 4.184 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCN(c4ccc(F)c(Cl)c4)C3)CC2)cc1 ZINC000495167485 906282067 /nfs/dbraw/zinc/28/20/67/906282067.db2.gz PZYDPNVQGNXHGZ-HXUWFJFHSA-N 1 0 412.940 4.184 20 30 HIEDRO N#Cc1ccc2ncc(C[NH2+]CC3(c4ccc(Br)s4)CCC3)n2c1 ZINC000512542564 921225245 /nfs/dbraw/zinc/22/52/45/921225245.db2.gz RAJRIBAOBKCAJN-UHFFFAOYSA-N 1 0 401.333 4.241 20 30 HIEDRO COc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc(OC)c1C(C)C ZINC000495323321 906376371 /nfs/dbraw/zinc/37/63/71/906376371.db2.gz CJAKCLWADDRMSX-UHFFFAOYSA-N 1 0 424.545 4.295 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH2+][C@H](CCO)C2CCCCC2)sc2c1CCCCC2 ZINC000495396519 906425611 /nfs/dbraw/zinc/42/56/11/906425611.db2.gz PTMOZIAWOIOXJD-LJQANCHMSA-N 1 0 403.592 4.138 20 30 HIEDRO C[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000496226297 906634007 /nfs/dbraw/zinc/63/40/07/906634007.db2.gz YGXWDCFHQNJAFB-HNRNTVDCSA-N 1 0 420.557 4.239 20 30 HIEDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000496688949 906735533 /nfs/dbraw/zinc/73/55/33/906735533.db2.gz OCCOOAKNNKLFDT-UHFFFAOYSA-N 1 0 409.530 4.314 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@H](c1ccccc1)C(C)C ZINC000497368360 906857985 /nfs/dbraw/zinc/85/79/85/906857985.db2.gz SRPIUFMREYYLLB-QHCPKHFHSA-N 1 0 410.562 4.281 20 30 HIEDRO Cc1ccc(CNC(=O)C2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)cc1 ZINC000512677022 921284704 /nfs/dbraw/zinc/28/47/04/921284704.db2.gz GVISERRAZCWFQM-UHFFFAOYSA-N 1 0 405.542 4.206 20 30 HIEDRO C=CCOc1ccc(C[NH+]2CCC(NC(=O)c3ccc(C)s3)CC2)cc1OC ZINC000512687520 921287240 /nfs/dbraw/zinc/28/72/40/921287240.db2.gz SSRHENVYBQRAKW-UHFFFAOYSA-N 1 0 400.544 4.024 20 30 HIEDRO COc1ccc([C@H](CNC(=O)CSCc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000497710767 907214368 /nfs/dbraw/zinc/21/43/68/907214368.db2.gz NMVBWCRKNINWLO-QHCPKHFHSA-N 1 0 423.582 4.143 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)Nc3ccccc3Cl)CC2)c(F)c1 ZINC000512796410 921313266 /nfs/dbraw/zinc/31/32/66/921313266.db2.gz HDOZFKQNHJLFNA-UHFFFAOYSA-N 1 0 401.869 4.223 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)Cc3ccc4ccccc4c3)CC2)c(F)c1 ZINC000512805777 921315016 /nfs/dbraw/zinc/31/50/16/921315016.db2.gz LYEAMRWKIVRBKL-JOCHJYFZSA-N 1 0 404.485 4.297 20 30 HIEDRO CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512811427 921316620 /nfs/dbraw/zinc/31/66/20/921316620.db2.gz GEWUACGLSZJSKX-LJQANCHMSA-N 1 0 412.505 4.104 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCC[N@@H+](C)C2CCCCC2)cc1C ZINC000497921733 907390539 /nfs/dbraw/zinc/39/05/39/907390539.db2.gz JSQVAAHWGVEBLB-UHFFFAOYSA-N 1 0 421.589 4.465 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000497927688 907394427 /nfs/dbraw/zinc/39/44/27/907394427.db2.gz MIYIFUOYFOBLBY-HNNXBMFYSA-N 1 0 404.584 4.026 20 30 HIEDRO CCC[C@H]1CN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000497929797 907396636 /nfs/dbraw/zinc/39/66/36/907396636.db2.gz HTEQBOZKPKWURH-IBGZPJMESA-N 1 0 416.447 4.099 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)c1[nH]c2ccccc2c1Br)C(C)C ZINC000498351183 907853070 /nfs/dbraw/zinc/85/30/70/907853070.db2.gz FHPOEMJGRDHURQ-KRWDZBQOSA-N 1 0 404.352 4.359 20 30 HIEDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1 ZINC000498526572 907996131 /nfs/dbraw/zinc/99/61/31/907996131.db2.gz OFNHTKOXWMCCID-UHFFFAOYSA-N 1 0 400.592 4.137 20 30 HIEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCC2(C#N)CCOCC2)[C@H]2CCCC[C@H]12 ZINC000499524020 908828848 /nfs/dbraw/zinc/82/88/48/908828848.db2.gz RRUXIEWWHNBOKS-ITBHCLRTSA-N 1 0 403.611 4.271 20 30 HIEDRO CC[NH+](CC)Cc1cccc(CNC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000500102157 909582699 /nfs/dbraw/zinc/58/26/99/909582699.db2.gz AVBMOTLRZBEBCW-UHFFFAOYSA-N 1 0 417.475 4.398 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@@H](C)[C@@H]3CCOC3)sc2C1 ZINC000500231515 909719531 /nfs/dbraw/zinc/71/95/31/909719531.db2.gz NMGVEZUNMBUFAW-ARFHVFGLSA-N 1 0 403.592 4.114 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@H](C)[C@H]3CCOC3)sc2C1 ZINC000500231533 909719592 /nfs/dbraw/zinc/71/95/92/909719592.db2.gz NMGVEZUNMBUFAW-OWCLPIDISA-N 1 0 403.592 4.114 20 30 HIEDRO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000500370046 909818608 /nfs/dbraw/zinc/81/86/08/909818608.db2.gz ZXOQQAIYEIDSOK-CZIOWHBQSA-N 1 0 413.443 4.371 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@H](Cn2ccccc2=O)c2ccccc2)ccc1OC ZINC000500481023 909884676 /nfs/dbraw/zinc/88/46/76/909884676.db2.gz IDQWUMDZYALREA-JOCHJYFZSA-N 1 0 404.510 4.343 20 30 HIEDRO CC(C)(CCC#N)CNC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000513130044 921573590 /nfs/dbraw/zinc/57/35/90/921573590.db2.gz PQFVHBPFWQAASN-UHFFFAOYSA-N 1 0 410.484 4.253 20 30 HIEDRO COc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OCc1cccc(C#N)c1 ZINC000513138130 921578434 /nfs/dbraw/zinc/57/84/34/921578434.db2.gz DHHCRYXACSJYEM-AIZNXBIQSA-N 1 0 405.542 4.203 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)CN(C)Cc2ccc(Br)cc2)c1C ZINC000501378720 910507864 /nfs/dbraw/zinc/50/78/64/910507864.db2.gz XMKDRIUXSRQKRE-UHFFFAOYSA-N 1 0 414.347 4.445 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(CCC[NH+](C)C)CC1 ZINC000501785565 910839364 /nfs/dbraw/zinc/83/93/64/910839364.db2.gz MEIILGMHRVKSSE-KRWDZBQOSA-N 1 0 416.635 4.269 20 30 HIEDRO C=C(C)[C@@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000502014766 910979655 /nfs/dbraw/zinc/97/96/55/910979655.db2.gz GEUZBUOWRVCCJY-NHCUHLMSSA-N 1 0 403.473 4.193 20 30 HIEDRO C[C@H]1C[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000502193948 911134158 /nfs/dbraw/zinc/13/41/58/911134158.db2.gz YSQSPJOXORDXGU-NBGIEHNGSA-N 1 0 414.553 4.410 20 30 HIEDRO Cc1ccc([C@@H](CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[NH+]2CCCC2)o1 ZINC000502290575 911244601 /nfs/dbraw/zinc/24/46/01/911244601.db2.gz GAGJYKJFDBZIRB-JOCHJYFZSA-N 1 0 404.514 4.096 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)NC3CC[NH+](CCc4ccccc4)CC3)CC2)cc1 ZINC000502302476 911263483 /nfs/dbraw/zinc/26/34/83/911263483.db2.gz CWLQNNVYQASNTD-UHFFFAOYSA-N 1 0 414.553 4.064 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCCC12CCOCC2)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000502824229 911839536 /nfs/dbraw/zinc/83/95/36/911839536.db2.gz MDQFICWDZBSKMY-DNVCBOLYSA-N 1 0 401.576 4.155 20 30 HIEDRO C[C@H]([NH2+]C1(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCCC1)c1ccccc1 ZINC000506332995 914945204 /nfs/dbraw/zinc/94/52/04/914945204.db2.gz QUZOMCFILBFRKK-FDDCHVKYSA-N 1 0 413.562 4.028 20 30 HIEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506475119 915073017 /nfs/dbraw/zinc/07/30/17/915073017.db2.gz SKIQGNDBFGQHFO-NJYVYQBISA-N 1 0 414.569 4.047 20 30 HIEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 ZINC000506475909 915077935 /nfs/dbraw/zinc/07/79/35/915077935.db2.gz CCXMVMURARSGOG-UHFFFAOYSA-N 1 0 405.517 4.277 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1 ZINC000506477281 915080492 /nfs/dbraw/zinc/08/04/92/915080492.db2.gz NFUFNOGYEISJPJ-GOSISDBHSA-N 1 0 405.517 4.420 20 30 HIEDRO N#Cc1ccc(OCC[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1 ZINC000506484454 915090449 /nfs/dbraw/zinc/09/04/49/915090449.db2.gz FMUYCHVPVMWDHD-UHFFFAOYSA-N 1 0 401.869 4.080 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCC[C@@H](c4nccs4)C3)sc2C1 ZINC000506562837 915209674 /nfs/dbraw/zinc/20/96/74/915209674.db2.gz QAVPEHWXQZXLAP-LSDHHAIUSA-N 1 0 414.600 4.409 20 30 HIEDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1OCCCC#N ZINC000506620110 915279151 /nfs/dbraw/zinc/27/91/51/915279151.db2.gz UBVZKROCDNKBCA-HXUWFJFHSA-N 1 0 423.561 4.075 20 30 HIEDRO Cc1ccc([C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)N2CCOCC2)cc1 ZINC000507623075 916380886 /nfs/dbraw/zinc/38/08/86/916380886.db2.gz WYFXAIZWFUBMMU-GXUWAKPLSA-N 1 0 403.570 4.362 20 30 HIEDRO COc1cc2c(cc1OC)CN(CC[NH2+]C1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC000507661465 916424817 /nfs/dbraw/zinc/42/48/17/916424817.db2.gz URIBXSLVJDELIP-UHFFFAOYSA-N 1 0 419.569 4.056 20 30 HIEDRO COc1sc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1Br ZINC000507765913 916550862 /nfs/dbraw/zinc/55/08/62/916550862.db2.gz IAPRJPXVGCIDOA-UHFFFAOYSA-N 1 0 422.348 4.266 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccccc3OCc3ccccn3)CC2)nc1 ZINC000507767003 916552658 /nfs/dbraw/zinc/55/26/58/916552658.db2.gz NXGZBPKKJFWSHQ-UHFFFAOYSA-N 1 0 414.509 4.407 20 30 HIEDRO COc1ccc(CC[C@H]2CCCC[N@@H+]2CCC(=O)Nc2ccccc2C#N)cc1OC ZINC000507986276 916829882 /nfs/dbraw/zinc/82/98/82/916829882.db2.gz RXWBIQPZMUPVRV-OAQYLSRUSA-N 1 0 421.541 4.391 20 30 HIEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Nc3cc(C#N)cn3C(C)(C)C)cc2)C[C@H](C)O1 ZINC000508071614 916892936 /nfs/dbraw/zinc/89/29/36/916892936.db2.gz NQUALDPUIKISBV-ROUUACIJSA-N 1 0 423.561 4.046 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(C)(C#N)CC1)c1ccc(C(F)(F)F)cc1 ZINC000508159011 916980190 /nfs/dbraw/zinc/98/01/90/916980190.db2.gz DQWWYCNTJCPAQE-GOSISDBHSA-N 1 0 410.484 4.424 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000508249387 917068544 /nfs/dbraw/zinc/06/85/44/917068544.db2.gz KESGDXLRDWMRBW-HXUWFJFHSA-N 1 0 420.513 4.451 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508460860 917245023 /nfs/dbraw/zinc/24/50/23/917245023.db2.gz GCMKSLMVTZPWCR-NHCUHLMSSA-N 1 0 411.594 4.389 20 30 HIEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000508497384 917281305 /nfs/dbraw/zinc/28/13/05/917281305.db2.gz KZPCSZIFRJKIIR-PZJWPPBQSA-N 1 0 403.615 4.146 20 30 HIEDRO C=CCn1c(CCCc2ccccc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508510719 917296397 /nfs/dbraw/zinc/29/63/97/917296397.db2.gz RTENKRABNTZGQO-GGAORHGYSA-N 1 0 405.590 4.093 20 30 HIEDRO C=CCn1c(-c2ccccn2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508724512 917486733 /nfs/dbraw/zinc/48/67/33/917486733.db2.gz SNWAQKVFCYFZGS-JTHBVZDNSA-N 1 0 414.557 4.017 20 30 HIEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508733666 917492805 /nfs/dbraw/zinc/49/28/05/917492805.db2.gz NMECFHOLOFZTLE-JTSKRJEESA-N 1 0 402.546 4.066 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508747585 917504597 /nfs/dbraw/zinc/50/45/97/917504597.db2.gz OINDEUWXTGQWJH-MOPGFXCFSA-N 1 0 413.541 4.055 20 30 HIEDRO C=CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508798444 917553952 /nfs/dbraw/zinc/55/39/52/917553952.db2.gz SSAUFOFHWNEBOO-UXHICEINSA-N 1 0 411.569 4.285 20 30 HIEDRO C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508909318 917665566 /nfs/dbraw/zinc/66/55/66/917665566.db2.gz ZBFWMMGQMOIMPB-NRFANRHFSA-N 1 0 403.574 4.376 20 30 HIEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508936923 917693422 /nfs/dbraw/zinc/69/34/22/917693422.db2.gz APWYPIJBAVQJPK-UGKGYDQZSA-N 1 0 414.557 4.132 20 30 HIEDRO N#Cc1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)c1 ZINC000509066246 917812970 /nfs/dbraw/zinc/81/29/70/917812970.db2.gz SZCYWVVZARLMJH-UHFFFAOYSA-N 1 0 410.905 4.278 20 30 HIEDRO C=CCSCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000509181345 917891629 /nfs/dbraw/zinc/89/16/29/917891629.db2.gz VZNRUVUJJZGEHX-AEFFLSMTSA-N 1 0 415.525 4.307 20 30 HIEDRO N#CCCCOc1cccc(C[NH+]2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)c1 ZINC000509347785 918013493 /nfs/dbraw/zinc/01/34/93/918013493.db2.gz DMFDIDVGOYCCAQ-UHFFFAOYSA-N 1 0 412.921 4.268 20 30 HIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)cc1OC ZINC000509381478 918048757 /nfs/dbraw/zinc/04/87/57/918048757.db2.gz YTYXHNGYQUXGLG-QGZVFWFLSA-N 1 0 415.921 4.159 20 30 HIEDRO C=C(C)COc1cc(C[NH+]2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)ccc1OC ZINC000509576570 918226399 /nfs/dbraw/zinc/22/63/99/918226399.db2.gz WQOLDKSZCFVWHL-LJQANCHMSA-N 1 0 400.563 4.121 20 30 HIEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000510240722 918779226 /nfs/dbraw/zinc/77/92/26/918779226.db2.gz MITCAJUEFKRNRB-IBGZPJMESA-N 1 0 415.921 4.345 20 30 HIEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)c1ccc(OC)c(OC)c1 ZINC000510259877 918792015 /nfs/dbraw/zinc/79/20/15/918792015.db2.gz RZAZVVLHRJAORA-FQEVSTJZSA-N 1 0 409.530 4.308 20 30 HIEDRO C=CCOc1cccc(NC(=O)NCc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000510537010 918981866 /nfs/dbraw/zinc/98/18/66/918981866.db2.gz ZZCBFYUWKCRQHX-OALUTQOASA-N 1 0 409.530 4.182 20 30 HIEDRO N#Cc1ccc(OC(F)F)c(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000510841370 919324800 /nfs/dbraw/zinc/32/48/00/919324800.db2.gz KCYTVMQFTJNOOC-MRXNPFEDSA-N 1 0 421.394 4.256 20 30 HIEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000510879683 919373964 /nfs/dbraw/zinc/37/39/64/919373964.db2.gz RFVPGKIJDLLKLB-UHFFFAOYSA-N 1 0 403.482 4.050 20 30 HIEDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000510934548 919456180 /nfs/dbraw/zinc/45/61/80/919456180.db2.gz FYQFHGHQOFIKIQ-QZTJIDSGSA-N 1 0 419.529 4.052 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC000511389708 919994337 /nfs/dbraw/zinc/99/43/37/919994337.db2.gz DWZXTWZNADRHJE-IBGZPJMESA-N 1 0 420.557 4.156 20 30 HIEDRO C[C@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000511476779 920085679 /nfs/dbraw/zinc/08/56/79/920085679.db2.gz OBRUGBMNNXHAGD-QZTJIDSGSA-N 1 0 419.529 4.052 20 30 HIEDRO CC(C)(CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[NH+]1CCCCC1 ZINC000511515912 920133891 /nfs/dbraw/zinc/13/38/91/920133891.db2.gz XLQJPTUTVJJMKR-UHFFFAOYSA-N 1 0 419.529 4.197 20 30 HIEDRO C=C(C)COc1cc(C[NH+]2CCC(NC(=O)c3ccsc3)CC2)ccc1OC ZINC000511873648 920605495 /nfs/dbraw/zinc/60/54/95/920605495.db2.gz OVNKVZALEFDWEK-UHFFFAOYSA-N 1 0 400.544 4.106 20 30 HIEDRO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(COc3ccccc3C#N)c2)cc1 ZINC000513510822 921858009 /nfs/dbraw/zinc/85/80/09/921858009.db2.gz BLKBTLBRQPPCLH-UHFFFAOYSA-N 1 0 415.493 4.330 20 30 HIEDRO CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(Br)c2)cc1 ZINC000513567921 921899769 /nfs/dbraw/zinc/89/97/69/921899769.db2.gz OUMAIKFURPRJNS-IBGZPJMESA-N 1 0 400.320 4.286 20 30 HIEDRO C=CCOc1c(Br)cc(CNC[C@H](C)C[NH+]2CCCCC2)cc1OC ZINC000513639139 921963168 /nfs/dbraw/zinc/96/31/68/921963168.db2.gz YGBSKFIMCSQUII-INIZCTEOSA-N 1 0 411.384 4.234 20 30 HIEDRO N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000514046209 922367054 /nfs/dbraw/zinc/36/70/54/922367054.db2.gz NZKTVYULIDQGFL-PKTZIBPZSA-N 1 0 406.505 4.036 20 30 HIEDRO COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000514119814 922452253 /nfs/dbraw/zinc/45/22/53/922452253.db2.gz AHKCMAWGHLAVJK-LJQANCHMSA-N 1 0 413.905 4.395 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccsc1 ZINC000515101447 922913984 /nfs/dbraw/zinc/91/39/84/922913984.db2.gz ZMJFNMOPQULAIF-SFHVURJKSA-N 1 0 411.556 4.091 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)CC(C)C ZINC000515392872 923078501 /nfs/dbraw/zinc/07/85/01/923078501.db2.gz CJXYYYHRLMPTKC-IBGZPJMESA-N 1 0 418.557 4.007 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000515502210 923137419 /nfs/dbraw/zinc/13/74/19/923137419.db2.gz YDGRKAGQIDCVEM-QFIPXVFZSA-N 1 0 422.573 4.049 20 30 HIEDRO N#Cc1ccc(CN2CCC[N@@H+](Cc3cccc(OCC(F)(F)F)c3)CC2)cc1 ZINC000515780006 923345467 /nfs/dbraw/zinc/34/54/67/923345467.db2.gz COQHGOJVCDLUNM-UHFFFAOYSA-N 1 0 403.448 4.207 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000515805211 923362063 /nfs/dbraw/zinc/36/20/63/923362063.db2.gz TUSBPEXHODZMIY-QHCPKHFHSA-N 1 0 423.557 4.239 20 30 HIEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000516009357 923499767 /nfs/dbraw/zinc/49/97/67/923499767.db2.gz ZZHIXYHOTGRIFC-DEOSSOPVSA-N 1 0 405.542 4.051 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)CC1 ZINC000518002832 926942367 /nfs/dbraw/zinc/94/23/67/926942367.db2.gz DDGCCNVNMHZFFI-UHFFFAOYSA-N 1 0 416.953 4.411 20 30 HIEDRO N#CC(CC[NH+]1CCC(OC[C@H]2CCOC2)CC1)(c1ccccc1)c1ccccc1 ZINC000518068180 927004365 /nfs/dbraw/zinc/00/43/65/927004365.db2.gz PPPVDWOTCFTNLY-QFIPXVFZSA-N 1 0 404.554 4.404 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000518098803 927021167 /nfs/dbraw/zinc/02/11/67/927021167.db2.gz ITLALPUQRIFCNL-JOCHJYFZSA-N 1 0 418.541 4.424 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)cc1 ZINC000518179675 927067330 /nfs/dbraw/zinc/06/73/30/927067330.db2.gz GVLVPPMKGIFXBG-QHCPKHFHSA-N 1 0 420.557 4.197 20 30 HIEDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000518371205 927225618 /nfs/dbraw/zinc/22/56/18/927225618.db2.gz XGONELVXGQBHJR-UHFFFAOYSA-N 1 0 416.481 4.075 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c32)CC1 ZINC000518496985 927309550 /nfs/dbraw/zinc/30/95/50/927309550.db2.gz QQHWMSMMTQZXRE-UHFFFAOYSA-N 1 0 404.514 4.277 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccc(OC)cc2)(C4)C3)CC1 ZINC000518510539 927317581 /nfs/dbraw/zinc/31/75/81/927317581.db2.gz VIPJWDSJUSSRRZ-ADXLDGDMSA-N 1 0 408.586 4.300 20 30 HIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CCN(C)CC2)cc1Cl ZINC000518747298 927472675 /nfs/dbraw/zinc/47/26/75/927472675.db2.gz BEMDUJFWENVLNV-IBGZPJMESA-N 1 0 405.995 4.045 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)CC1 ZINC000519286761 927863777 /nfs/dbraw/zinc/86/37/77/927863777.db2.gz IEPHWMGKKBYAOX-UHFFFAOYSA-N 1 0 410.518 4.353 20 30 HIEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000519895639 928131305 /nfs/dbraw/zinc/13/13/05/928131305.db2.gz RYTVMJQJZWYHHH-UHFFFAOYSA-N 1 0 418.585 4.433 20 30 HIEDRO CC[C@@H]([NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1 ZINC000520499868 928603081 /nfs/dbraw/zinc/60/30/81/928603081.db2.gz MNMWTKLYZDYXTC-JOCHJYFZSA-N 1 0 421.522 4.390 20 30 HIEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000520778475 928812945 /nfs/dbraw/zinc/81/29/45/928812945.db2.gz DINNROOVRDOFIQ-AOYPEHQESA-N 1 0 417.553 4.086 20 30 HIEDRO CCCCN(C1CC(C)(C)[NH2+]C(C)(C)C1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000521241305 929076051 /nfs/dbraw/zinc/07/60/51/929076051.db2.gz HELNFPIYAAYMOD-UHFFFAOYSA-N 1 0 411.999 4.312 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(OC3CCCC3)c(OC)c2)CC1 ZINC000521594359 929317224 /nfs/dbraw/zinc/31/72/24/929317224.db2.gz YYMDIBFTOBWJQM-KRWDZBQOSA-N 1 0 401.551 4.027 20 30 HIEDRO C[C@@H](NC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)c1ccc(C#N)cc1 ZINC000521808097 929466500 /nfs/dbraw/zinc/46/65/00/929466500.db2.gz CNDDVZIAKZWYAF-GOSISDBHSA-N 1 0 419.529 4.255 20 30 HIEDRO COc1ccc(CN(C(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)C2CC2)cc1 ZINC000521822567 929479670 /nfs/dbraw/zinc/47/96/70/929479670.db2.gz WEMZJCOOCNSGMP-UHFFFAOYSA-N 1 0 405.542 4.216 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000524501967 929649745 /nfs/dbraw/zinc/64/97/45/929649745.db2.gz CNFDECFIBKTSNH-UHFFFAOYSA-N 1 0 423.520 4.101 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)c1ccsc1 ZINC000524526787 929665301 /nfs/dbraw/zinc/66/53/01/929665301.db2.gz YTVCCXWULCJMHH-JOCHJYFZSA-N 1 0 405.523 4.231 20 30 HIEDRO Cc1nc(C#N)c(N2CCC(C(=O)Nc3cccc4c3C[N@H+](CCC(C)C)C4)CC2)o1 ZINC000527000006 930565121 /nfs/dbraw/zinc/56/51/21/930565121.db2.gz FBADKFHTLKRIGL-UHFFFAOYSA-N 1 0 421.545 4.072 20 30 HIEDRO N#Cc1ccc(Oc2ccc(NC(=O)CC3([NH+]4CCOCC4)CCCC3)cc2)cc1 ZINC000530571505 930754117 /nfs/dbraw/zinc/75/41/17/930754117.db2.gz WLFLJNNMVYAMQD-UHFFFAOYSA-N 1 0 405.498 4.324 20 30 HIEDRO N#C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000530638753 930783275 /nfs/dbraw/zinc/78/32/75/930783275.db2.gz ABXWYEFCLJOWHX-AZUAARDMSA-N 1 0 417.431 4.178 20 30 HIEDRO N#Cc1ccc(Oc2cccc(NC(=O)CC3([NH+]4CCOCC4)CCCC3)c2)cc1 ZINC000530816328 930830605 /nfs/dbraw/zinc/83/06/05/930830605.db2.gz DNDQHDNGNNXJKT-UHFFFAOYSA-N 1 0 405.498 4.324 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000530965104 930870126 /nfs/dbraw/zinc/87/01/26/930870126.db2.gz DTVPESIQOKVQGO-LJQANCHMSA-N 1 0 406.368 4.336 20 30 HIEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)C4(C#N)CC(C)C4)cc3)CC2)c1 ZINC000532322008 931396733 /nfs/dbraw/zinc/39/67/33/931396733.db2.gz NTKMAXMYQLASJO-UHFFFAOYSA-N 1 0 402.542 4.196 20 30 HIEDRO O=C1[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCN1CC(F)(F)F ZINC000532564173 931525562 /nfs/dbraw/zinc/52/55/62/931525562.db2.gz BQVRFJVUMPJYDV-LBPRGKRZSA-N 1 0 422.291 4.367 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)c1 ZINC000532701371 931594750 /nfs/dbraw/zinc/59/47/50/931594750.db2.gz SXFLYZMEZHMCRE-LUKWVAJMSA-N 1 0 410.606 4.276 20 30 HIEDRO Cc1ccc(C2=NN(C(=O)CN(C)Cc3ccc(C#N)cc3)[C@H](c3ccco3)C2)cc1 ZINC000532751583 931622067 /nfs/dbraw/zinc/62/20/67/931622067.db2.gz JEZWMPJQQDGLLT-QHCPKHFHSA-N 1 0 412.493 4.269 20 30 HIEDRO CC[NH+](CC)CCN(CC(=O)Nc1cc(Cl)ccc1C#N)Cc1cccs1 ZINC000533024024 931742401 /nfs/dbraw/zinc/74/24/01/931742401.db2.gz NHCIENNNHASXSD-UHFFFAOYSA-N 1 0 404.967 4.056 20 30 HIEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000533364960 931849247 /nfs/dbraw/zinc/84/92/47/931849247.db2.gz PCNSGZZPHUNBPK-SJLPKXTDSA-N 1 0 414.937 4.159 20 30 HIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+]C2(c3ccc(F)cc3)CC2)c1C#N ZINC000533390382 931856057 /nfs/dbraw/zinc/85/60/57/931856057.db2.gz BODOSOJOIAQZSU-UHFFFAOYSA-N 1 0 416.500 4.381 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCC[C@H]([NH+]4CCCC4)CC3)sc2C1 ZINC000533426324 931864706 /nfs/dbraw/zinc/86/47/06/931864706.db2.gz IABHAIJEPCDNTG-ROUUACIJSA-N 1 0 414.619 4.023 20 30 HIEDRO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@@H+]1CCC3(C1)CCCCC3)CCCC2 ZINC000533433032 931866930 /nfs/dbraw/zinc/86/69/30/931866930.db2.gz HDBGSCBPVKGJFC-IBGZPJMESA-N 1 0 424.589 4.012 20 30 HIEDRO COc1cccc(NC2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000533447960 931872434 /nfs/dbraw/zinc/87/24/34/931872434.db2.gz FSRYFRZCVCSNDI-UHFFFAOYSA-N 1 0 424.570 4.022 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2cnc(C3CC3)nc2)cc1OC ZINC000533740417 932002731 /nfs/dbraw/zinc/00/27/31/932002731.db2.gz IRKFUSMKAMTDSO-UHFFFAOYSA-N 1 0 418.335 4.022 20 30 HIEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000533761778 932015879 /nfs/dbraw/zinc/01/58/79/932015879.db2.gz PSMOHLSTVNVGBI-IBGZPJMESA-N 1 0 421.932 4.363 20 30 HIEDRO C=C[C@H](CC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1)c1ccccc1 ZINC000533936333 932110213 /nfs/dbraw/zinc/11/02/13/932110213.db2.gz AYQYYUQCMCTQNL-XXBNENTESA-N 1 0 405.542 4.151 20 30 HIEDRO CN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000534195243 932325389 /nfs/dbraw/zinc/32/53/89/932325389.db2.gz DTHKZCSPYYOQNZ-RTWAWAEBSA-N 1 0 417.985 4.013 20 30 HIEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCCCc2ccc(Cl)c(Cl)c2)c1C#N ZINC000534796875 932776465 /nfs/dbraw/zinc/77/64/65/932776465.db2.gz WQCRQIRDAWMZQS-UHFFFAOYSA-N 1 0 408.333 4.092 20 30 HIEDRO Cc1c(C#N)cccc1NC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535678298 933329143 /nfs/dbraw/zinc/32/91/43/933329143.db2.gz XXOZLDMYQCZNOQ-OXQOHEQNSA-N 1 0 400.885 4.474 20 30 HIEDRO Cc1c(C#N)cccc1NC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535678296 933329469 /nfs/dbraw/zinc/32/94/69/933329469.db2.gz XXOZLDMYQCZNOQ-JXFKEZNVSA-N 1 0 400.885 4.474 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]C3CCN(Cc4ccc(F)c(F)c4)CC3)CC2)cc1 ZINC000537294186 933701184 /nfs/dbraw/zinc/70/11/84/933701184.db2.gz AJFLCXGTHLSWBZ-UHFFFAOYSA-N 1 0 424.539 4.055 20 30 HIEDRO C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1cccc(C#N)c1 ZINC000537296754 933702003 /nfs/dbraw/zinc/70/20/03/933702003.db2.gz VXHXNJPLHDXQRV-OAHLLOKOSA-N 1 0 400.320 4.020 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CN(C)Cc3ccccc32)cc1OC ZINC000537317541 933714186 /nfs/dbraw/zinc/71/41/86/933714186.db2.gz KSCPIBUYHPIKSV-LJQANCHMSA-N 1 0 417.347 4.299 20 30 HIEDRO N#CC1(c2ccc(C(=O)Nc3ccc(NC(=O)CC[NH+]4CCCCC4)cc3)cc2)CC1 ZINC000537434302 933773577 /nfs/dbraw/zinc/77/35/77/933773577.db2.gz LYUQBNCBRISGGA-UHFFFAOYSA-N 1 0 416.525 4.309 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc(C#N)c1 ZINC000537478460 933790678 /nfs/dbraw/zinc/79/06/78/933790678.db2.gz TVXUJTDHJTWRKH-YWZLYKJASA-N 1 0 401.432 4.419 20 30 HIEDRO COCCC[C@@H]([NH2+]CCOc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000537988219 938450934 /nfs/dbraw/zinc/45/09/34/938450934.db2.gz QTPQHMALNKLYNF-HXUWFJFHSA-N 1 0 403.320 4.457 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000538126038 938511564 /nfs/dbraw/zinc/51/15/64/938511564.db2.gz SNGXDIUJWACSAE-RBUKOAKNSA-N 1 0 409.530 4.468 20 30 HIEDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)ccc1OC1CCCC1 ZINC000538153582 938525209 /nfs/dbraw/zinc/52/52/09/938525209.db2.gz WXRIXMURJXTFID-MSOLQXFVSA-N 1 0 413.562 4.398 20 30 HIEDRO COc1ccc(C[C@@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)c2ccccc2)cc1OC ZINC000538157795 938527856 /nfs/dbraw/zinc/52/78/56/938527856.db2.gz DRRIEGRNRHSDEK-JOCHJYFZSA-N 1 0 415.493 4.088 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)c(C#N)c1C ZINC000538161214 938530546 /nfs/dbraw/zinc/53/05/46/938530546.db2.gz KXYVRXUTODEONV-STQMWFEESA-N 1 0 409.408 4.387 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000538176524 938538378 /nfs/dbraw/zinc/53/83/78/938538378.db2.gz TZMZLMOMBBDAFK-AWEZNQCLSA-N 1 0 422.485 4.300 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000538186187 938542734 /nfs/dbraw/zinc/54/27/34/938542734.db2.gz CRNMEVAZWWRHSS-MSOLQXFVSA-N 1 0 419.554 4.413 20 30 HIEDRO CC([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000538204426 938552748 /nfs/dbraw/zinc/55/27/48/938552748.db2.gz HDUVYKAWDYQMSD-UHFFFAOYSA-N 1 0 421.504 4.236 20 30 HIEDRO C[C@H]([NH2+]Cc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)c1cccc(C#N)c1 ZINC000538397819 938611276 /nfs/dbraw/zinc/61/12/76/938611276.db2.gz CFHZQODINMTQHI-KRWDZBQOSA-N 1 0 423.513 4.027 20 30 HIEDRO N#CC1(c2ccccc2)CCC(Nc2ccc(C[N@H+]3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000538834371 938722291 /nfs/dbraw/zinc/72/22/91/938722291.db2.gz OSYGISUNSVOYSY-YFPLAWBCSA-N 1 0 416.569 4.200 20 30 HIEDRO CCN1CC[C@H](NC(=O)CSc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539133229 938808726 /nfs/dbraw/zinc/80/87/26/938808726.db2.gz QUKMTRYVDFIGRR-FPOVZHCZSA-N 1 0 417.937 4.395 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1C ZINC000539256330 938827788 /nfs/dbraw/zinc/82/77/88/938827788.db2.gz AEQLGIJXDHPRJD-IBGZPJMESA-N 1 0 418.541 4.249 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000539339275 938844669 /nfs/dbraw/zinc/84/46/69/938844669.db2.gz PNFSKRQAPATFIC-SFTDATJTSA-N 1 0 415.541 4.475 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539491353 938867974 /nfs/dbraw/zinc/86/79/74/938867974.db2.gz QJZISTWVXJNPPC-AOMKIAJQSA-N 1 0 412.555 4.163 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3cc(F)c(F)cc3Br)CC2)cc1 ZINC000563555126 945214052 /nfs/dbraw/zinc/21/40/52/945214052.db2.gz IPYHIRINZQTRHU-UHFFFAOYSA-N 1 0 406.274 4.358 20 30 HIEDRO CC[N@H+](Cc1ccc(OC)c(OCCCC#N)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000539829337 938949888 /nfs/dbraw/zinc/94/98/88/938949888.db2.gz RIOQUYSDXDPIOU-OAQYLSRUSA-N 1 0 407.514 4.005 20 30 HIEDRO C=CC[N@H+](Cc1ccc(OC(F)F)c(F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000539832465 938951597 /nfs/dbraw/zinc/95/15/97/938951597.db2.gz SPMOACSJBOSWCU-CQSZACIVSA-N 1 0 403.408 4.152 20 30 HIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000539979185 939028757 /nfs/dbraw/zinc/02/87/57/939028757.db2.gz XTTJXTFUTLUFLY-DEOSSOPVSA-N 1 0 420.557 4.122 20 30 HIEDRO C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000540179331 939107264 /nfs/dbraw/zinc/10/72/64/939107264.db2.gz YNOOIRXJVKIJAB-AFJQURTJSA-N 1 0 422.485 4.163 20 30 HIEDRO N#Cc1cccc(CNC(=O)C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000540196304 939121395 /nfs/dbraw/zinc/12/13/95/939121395.db2.gz JLBIATXSYSJQEW-UHFFFAOYSA-N 1 0 401.432 4.073 20 30 HIEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)c1ccc2c(c1)OCCO2 ZINC000540376727 939216675 /nfs/dbraw/zinc/21/66/75/939216675.db2.gz RRJIDJDBHKDCFO-HXUWFJFHSA-N 1 0 407.514 4.062 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+]C1(c2ccccc2)CCCC1 ZINC000540393419 939232003 /nfs/dbraw/zinc/23/20/03/939232003.db2.gz IXRUYUFNWDIRLI-UHFFFAOYSA-N 1 0 408.546 4.011 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000540399957 939234945 /nfs/dbraw/zinc/23/49/45/939234945.db2.gz WCVYSNMBMNKQDJ-GOSISDBHSA-N 1 0 417.484 4.243 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000540476629 939268400 /nfs/dbraw/zinc/26/84/00/939268400.db2.gz IPRZQTYLDVMRJG-VQTJNVASSA-N 1 0 420.557 4.281 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccc(C#N)c(F)c1 ZINC000540707702 939345106 /nfs/dbraw/zinc/34/51/06/939345106.db2.gz MXGFDKRHOTUTLX-KPZWWZAWSA-N 1 0 407.367 4.052 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@]2(C)CCCO)c1C#N ZINC000540715963 939346733 /nfs/dbraw/zinc/34/67/33/939346733.db2.gz UYROYTUPYBVCCA-HSZRJFAPSA-N 1 0 400.567 4.047 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cc(F)c(F)c(F)c1 ZINC000540830305 939387301 /nfs/dbraw/zinc/38/73/01/939387301.db2.gz BSNZSYAWWRCJSS-UHFFFAOYSA-N 1 0 407.461 4.376 20 30 HIEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000540981648 939424858 /nfs/dbraw/zinc/42/48/58/939424858.db2.gz NABXHSZOVATPMO-UHFFFAOYSA-N 1 0 420.492 4.047 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cc1)C1CC1 ZINC000541070713 939450017 /nfs/dbraw/zinc/45/00/17/939450017.db2.gz LZSCVMSPBCTNDP-UHFFFAOYSA-N 1 0 403.461 4.120 20 30 HIEDRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c1 ZINC000541104981 939461936 /nfs/dbraw/zinc/46/19/36/939461936.db2.gz GPEGISDWSDNGKB-UHFFFAOYSA-N 1 0 422.920 4.171 20 30 HIEDRO C[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541159261 939480983 /nfs/dbraw/zinc/48/09/83/939480983.db2.gz WVQNRGZBASBRAB-NWVWQQAFSA-N 1 0 402.542 4.412 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541175844 939484329 /nfs/dbraw/zinc/48/43/29/939484329.db2.gz GMZUXLAWSPYHBM-SJORKVTESA-N 1 0 405.523 4.284 20 30 HIEDRO N#CC1(NC(=O)CC2CCC(C(F)(F)F)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000541244450 939487339 /nfs/dbraw/zinc/48/73/39/939487339.db2.gz WQSMUXHFJHEYOE-UHFFFAOYSA-N 1 0 407.480 4.420 20 30 HIEDRO COc1ccc(C[N@@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)cc1OCCCC#N ZINC000541247767 939487513 /nfs/dbraw/zinc/48/75/13/939487513.db2.gz ZGBZQRCYZWCISE-KRWDZBQOSA-N 1 0 422.451 4.430 20 30 HIEDRO Cc1ccc([C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[NH+]2CCCC2)cc1 ZINC000541443977 939517643 /nfs/dbraw/zinc/51/76/43/939517643.db2.gz ZRGMGYSPLGIDBG-DEOSSOPVSA-N 1 0 402.542 4.378 20 30 HIEDRO N#CCCC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc2c(c1)OCCCO2 ZINC000541553443 939553597 /nfs/dbraw/zinc/55/35/97/939553597.db2.gz OWVDCPACYMSTJF-UHFFFAOYSA-N 1 0 402.498 4.153 20 30 HIEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@H](c2cccnc2)C2CC2)c1C#N ZINC000541589011 939561400 /nfs/dbraw/zinc/56/14/00/939561400.db2.gz RQKDLGUUGDEJHU-QHCPKHFHSA-N 1 0 417.488 4.179 20 30 HIEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H](c2cccnc2)C2CC2)c1C#N ZINC000541589010 939561547 /nfs/dbraw/zinc/56/15/47/939561547.db2.gz RQKDLGUUGDEJHU-HSZRJFAPSA-N 1 0 417.488 4.179 20 30 HIEDRO Cc1cnc([C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)C2CC2)s1 ZINC000541603492 939566788 /nfs/dbraw/zinc/56/67/88/939566788.db2.gz OYVIXRUKRXMTGR-GOSISDBHSA-N 1 0 400.573 4.333 20 30 HIEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)NC3(C#N)CCCCC3)s2)cc1 ZINC000541641399 939583067 /nfs/dbraw/zinc/58/30/67/939583067.db2.gz BKTQBLDXHDOYAW-HNNXBMFYSA-N 1 0 412.559 4.120 20 30 HIEDRO C[C@@H]1[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCC12CCOCC2 ZINC000541717683 939613278 /nfs/dbraw/zinc/61/32/78/939613278.db2.gz DLGWGNIPUKPCIL-INIZCTEOSA-N 1 0 401.576 4.108 20 30 HIEDRO N#Cc1cc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)ccc1Cl ZINC000541797039 939634830 /nfs/dbraw/zinc/63/48/30/939634830.db2.gz MVELFFBBBZVHSK-UHFFFAOYSA-N 1 0 411.933 4.013 20 30 HIEDRO CCc1ccc([C@@H](CO)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)cc1 ZINC000541982979 939669720 /nfs/dbraw/zinc/66/97/20/939669720.db2.gz DDDMULWWGRCPTL-HSZRJFAPSA-N 1 0 422.573 4.306 20 30 HIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cc1 ZINC000541998693 939675188 /nfs/dbraw/zinc/67/51/88/939675188.db2.gz CZYTZNNVCVWWJX-UHFFFAOYSA-N 1 0 405.477 4.367 20 30 HIEDRO C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542062044 939701630 /nfs/dbraw/zinc/70/16/30/939701630.db2.gz SWZADJDZZRVRQU-FQEVSTJZSA-N 1 0 417.553 4.438 20 30 HIEDRO Cc1cc(Br)cn2c(C[NH2+]CCSCc3ccccc3C#N)cnc12 ZINC000542318813 939798929 /nfs/dbraw/zinc/79/89/29/939798929.db2.gz GBWNMDAVRMCABS-UHFFFAOYSA-N 1 0 415.360 4.300 20 30 HIEDRO CC1(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000542514666 939835737 /nfs/dbraw/zinc/83/57/37/939835737.db2.gz MBDZHHQCHLHNSX-UHFFFAOYSA-N 1 0 414.471 4.475 20 30 HIEDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCS(=O)(=O)c1ccc(C#N)cc1 ZINC000542526759 939837448 /nfs/dbraw/zinc/83/74/48/939837448.db2.gz PSKNXIKNRWPXSE-OAQYLSRUSA-N 1 0 410.564 4.276 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542533297 939838706 /nfs/dbraw/zinc/83/87/06/939838706.db2.gz LSZIEDMBXCCGCU-QYZOEREBSA-N 1 0 414.619 4.262 20 30 HIEDRO Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccc(-c3ccccc3C#N)cc2)cc1 ZINC000542704638 939855416 /nfs/dbraw/zinc/85/54/16/939855416.db2.gz NVVXLSRCOMSSKB-IBGZPJMESA-N 1 0 404.535 4.486 20 30 HIEDRO CC[NH+](CC)CCOc1ccc(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)cc1 ZINC000543303215 940022890 /nfs/dbraw/zinc/02/28/90/940022890.db2.gz WMUQRYIOQUPAFN-UHFFFAOYSA-N 1 0 406.530 4.475 20 30 HIEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C ZINC000543516563 940092780 /nfs/dbraw/zinc/09/27/80/940092780.db2.gz XDKMVJWPKCZCTK-RNODOKPDSA-N 1 0 404.967 4.477 20 30 HIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000543516576 940093064 /nfs/dbraw/zinc/09/30/64/940093064.db2.gz JFZZBLNQOKPSLD-HNNXBMFYSA-N 1 0 411.552 4.115 20 30 HIEDRO C[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CCN1Cc1ccccc1 ZINC000543768273 940180011 /nfs/dbraw/zinc/18/00/11/940180011.db2.gz JDYNCWNRDNCLRN-IDTFWCKXSA-N 1 0 404.558 4.286 20 30 HIEDRO COc1cc(Br)cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000543787118 940186607 /nfs/dbraw/zinc/18/66/07/940186607.db2.gz UZHNFDCBMSTOQJ-UHFFFAOYSA-N 1 0 400.320 4.406 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000543861591 940214252 /nfs/dbraw/zinc/21/42/52/940214252.db2.gz SIPKSTLEJMHIAF-DLBZAZTESA-N 1 0 412.493 4.002 20 30 HIEDRO C[C@H]([NH2+]CC(=O)N1CCO[C@H]2CCCC[C@H]21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543869892 940217706 /nfs/dbraw/zinc/21/77/06/940217706.db2.gz HLBCVPITINEMJB-GLYQVZKVSA-N 1 0 403.526 4.046 20 30 HIEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543873253 940219637 /nfs/dbraw/zinc/21/96/37/940219637.db2.gz RDILGMQHZKLFJT-GOSISDBHSA-N 1 0 415.518 4.221 20 30 HIEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H]1CCCCC[C@H]1c1ccccc1C(F)(F)F ZINC000544419920 940419212 /nfs/dbraw/zinc/41/92/12/940419212.db2.gz PREZGGNAKSSHGP-ICSRJNTNSA-N 1 0 420.479 4.367 20 30 HIEDRO COc1ccc(C[NH2+]CCSCc2ccccc2C#N)c(Br)c1O ZINC000545464247 940571032 /nfs/dbraw/zinc/57/10/32/940571032.db2.gz AMSYLUGPWWQHGI-UHFFFAOYSA-N 1 0 407.333 4.058 20 30 HIEDRO C[N@@H+]1CCCN(c2ccc(-c3noc(-c4ccc(CC#N)cc4)n3)cc2Cl)CC1 ZINC000546446219 940821822 /nfs/dbraw/zinc/82/18/22/940821822.db2.gz WVUIKFWJNDWYSX-UHFFFAOYSA-N 1 0 407.905 4.265 20 30 HIEDRO C=CCNC(=O)c1cccc(-c2noc([C@H]3CCC[N@H+](Cc4ccccc4)C3)n2)c1 ZINC000547064357 940980934 /nfs/dbraw/zinc/98/09/34/940980934.db2.gz KELLVTLTFRHDQR-NRFANRHFSA-N 1 0 402.498 4.032 20 30 HIEDRO COc1cc(Br)ccc1CCC[NH+]1CCC(C#N)(c2ccccn2)CC1 ZINC000548798409 941124487 /nfs/dbraw/zinc/12/44/87/941124487.db2.gz QJNVTKIGIVGQTM-UHFFFAOYSA-N 1 0 414.347 4.343 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)c1ccc(C#N)cc1 ZINC000548936510 941130866 /nfs/dbraw/zinc/13/08/66/941130866.db2.gz GHDWZDMREUWNRO-OAHLLOKOSA-N 1 0 401.432 4.419 20 30 HIEDRO N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)ccc21 ZINC000549098285 941157695 /nfs/dbraw/zinc/15/76/95/941157695.db2.gz IDWHMVQQAQEPKP-UHFFFAOYSA-N 1 0 416.525 4.118 20 30 HIEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)c1ccc(C#N)cc1 ZINC000549161682 941167291 /nfs/dbraw/zinc/16/72/91/941167291.db2.gz GANWMUPYJLVAHZ-WBMJQRKESA-N 1 0 409.711 4.065 20 30 HIEDRO CC(C)[NH2+]C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccccc2)CC1 ZINC000549192214 941170072 /nfs/dbraw/zinc/17/00/72/941170072.db2.gz YCSGLUUJPFUCGD-UHFFFAOYSA-N 1 0 414.557 4.026 20 30 HIEDRO C=C(C)Cn1c(CCCc2cccs2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000549246602 941173904 /nfs/dbraw/zinc/17/39/04/941173904.db2.gz NUSBDNJYEZGRRE-HXUWFJFHSA-N 1 0 413.635 4.403 20 30 HIEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000549265483 941175292 /nfs/dbraw/zinc/17/52/92/941175292.db2.gz CEGOBXLXOKVPID-NRFANRHFSA-N 1 0 408.594 4.173 20 30 HIEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000549291592 941177530 /nfs/dbraw/zinc/17/75/30/941177530.db2.gz HKISSBVEQFXGQV-FQEVSTJZSA-N 1 0 406.578 4.025 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000549320631 941179710 /nfs/dbraw/zinc/17/97/10/941179710.db2.gz CKIZODWONHNIEE-UHFFFAOYSA-N 1 0 406.578 4.341 20 30 HIEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000549331842 941180716 /nfs/dbraw/zinc/18/07/16/941180716.db2.gz LBYNOQAUAWROQH-HXUWFJFHSA-N 1 0 402.546 4.134 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000549637408 941202329 /nfs/dbraw/zinc/20/23/29/941202329.db2.gz NDPRVTNVVFPSMN-RBUKOAKNSA-N 1 0 415.557 4.301 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000549723617 941205710 /nfs/dbraw/zinc/20/57/10/941205710.db2.gz BYSOYHWBENFDRN-QGZVFWFLSA-N 1 0 417.985 4.351 20 30 HIEDRO COc1ccc(OC2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000549761820 941206690 /nfs/dbraw/zinc/20/66/90/941206690.db2.gz VCVYAJPHLCXKTR-UHFFFAOYSA-N 1 0 413.905 4.092 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c1 ZINC000549797019 941207696 /nfs/dbraw/zinc/20/76/96/941207696.db2.gz DMYAGMKQJOYVOU-UHFFFAOYSA-N 1 0 423.532 4.071 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2ccc(-n3cccn3)c(F)c2)c1 ZINC000550288171 941309673 /nfs/dbraw/zinc/30/96/73/941309673.db2.gz MOYXEBAFZOXUBZ-IBGZPJMESA-N 1 0 419.504 4.226 20 30 HIEDRO COCC[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1ccc(Cl)c(Cl)c1 ZINC000551723880 941533758 /nfs/dbraw/zinc/53/37/58/941533758.db2.gz URPVVBMACORDSH-GOSISDBHSA-N 1 0 412.361 4.345 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(F)(c3cccnc3)CC1)CCCC2 ZINC000551747535 941537768 /nfs/dbraw/zinc/53/77/68/941537768.db2.gz AACGNVRPRBCQPG-UHFFFAOYSA-N 1 0 412.534 4.183 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]CCNc3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000552043629 941572554 /nfs/dbraw/zinc/57/25/54/941572554.db2.gz VVXGLFZEYQADJG-UHFFFAOYSA-N 1 0 423.870 4.296 20 30 HIEDRO CC[NH+](CC)Cc1ccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)cc1 ZINC000552187775 941598635 /nfs/dbraw/zinc/59/86/35/941598635.db2.gz MKAOAYHEWRGBRW-UHFFFAOYSA-N 1 0 408.521 4.394 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H](CCO)c3ccccc3Br)CC2)cc1 ZINC000552282973 941622010 /nfs/dbraw/zinc/62/20/10/941622010.db2.gz TZNSQNGHBVOHMF-NRFANRHFSA-N 1 0 414.347 4.003 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2F)c1 ZINC000552304850 941627980 /nfs/dbraw/zinc/62/79/80/941627980.db2.gz FIZVQEXNHHTDEE-OAQYLSRUSA-N 1 0 422.504 4.368 20 30 HIEDRO C[C@@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C[NH+]1CCCCC1 ZINC000552845229 941786694 /nfs/dbraw/zinc/78/66/94/941786694.db2.gz RCUGHZXSYAXNKD-SFHVURJKSA-N 1 0 416.997 4.056 20 30 HIEDRO CC1(C(=O)NCCC[NH+]2CCCCCC2)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000553054088 941825376 /nfs/dbraw/zinc/82/53/76/941825376.db2.gz XDZFKOCQFPUTJH-UHFFFAOYSA-N 1 0 416.997 4.200 20 30 HIEDRO N#CCC[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)c1ccccc1 ZINC000553386035 941877733 /nfs/dbraw/zinc/87/77/33/941877733.db2.gz NEDAQLRKXRQZJO-FUHWJXTLSA-N 1 0 423.738 4.477 20 30 HIEDRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC000553754588 941959717 /nfs/dbraw/zinc/95/97/17/941959717.db2.gz PJQQIHQVHYMWQO-UHFFFAOYSA-N 1 0 409.530 4.457 20 30 HIEDRO C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H](C)C1 ZINC000553767857 941963103 /nfs/dbraw/zinc/96/31/03/941963103.db2.gz LLUZFIVUHWCBOF-AXHZCLLHSA-N 1 0 403.526 4.347 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@H]2CCCc3cc(OC)ccc32)cc1 ZINC000553832514 941979682 /nfs/dbraw/zinc/97/96/82/941979682.db2.gz KKTZSJMYAHSGNY-DEOSSOPVSA-N 1 0 421.541 4.350 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000554257339 942081033 /nfs/dbraw/zinc/08/10/33/942081033.db2.gz WAZHACAXPLLQTG-UHFFFAOYSA-N 1 0 413.566 4.323 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC[C@H](C(F)(F)F)C3(CCC3)C1)CCC2 ZINC000554847806 942284767 /nfs/dbraw/zinc/28/47/67/942284767.db2.gz FUXRWQHYCFTDMK-INIZCTEOSA-N 1 0 411.493 4.492 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000554878123 942304605 /nfs/dbraw/zinc/30/46/05/942304605.db2.gz YAOHPSOVZJWONY-UHFFFAOYSA-N 1 0 409.427 4.202 20 30 HIEDRO N#Cc1cc2c(nc1NC[C@H]1C[N@H+](Cc3ccccc3)CC13CCOCC3)CCCC2 ZINC000555231070 942438681 /nfs/dbraw/zinc/43/86/81/942438681.db2.gz UNVOVIIKMNBWMA-QHCPKHFHSA-N 1 0 416.569 4.173 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000555237837 942440449 /nfs/dbraw/zinc/44/04/49/942440449.db2.gz RCAYXIJVVVCKQZ-QFIPXVFZSA-N 1 0 423.605 4.362 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000555241174 942442092 /nfs/dbraw/zinc/44/20/92/942442092.db2.gz ZYTYCLBDWVUYDN-NRFANRHFSA-N 1 0 411.594 4.218 20 30 HIEDRO C=C(C)Cn1c(N2CC[C@H](C[N@@H+](C)CCC)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000555273147 942458764 /nfs/dbraw/zinc/45/87/64/942458764.db2.gz RRJYVDALOLRAGG-GOSISDBHSA-N 1 0 419.520 4.151 20 30 HIEDRO CCOC(=O)C1CCC([N@H+](CC)Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000555350248 942488762 /nfs/dbraw/zinc/48/87/62/942488762.db2.gz NQMGCJIONZYKIJ-UHFFFAOYSA-N 1 0 408.546 4.408 20 30 HIEDRO Cc1cnc(C2CCN(CC#CC[NH+]3CCC(c4ncc(C)s4)CC3)CC2)s1 ZINC000556529519 942892990 /nfs/dbraw/zinc/89/29/90/942892990.db2.gz BTPGRRABLRFBFC-UHFFFAOYSA-N 1 0 414.644 4.279 20 30 HIEDRO C[C@@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000557430291 943122215 /nfs/dbraw/zinc/12/22/15/943122215.db2.gz WVWVEDPVRHBPFX-ROUUACIJSA-N 1 0 416.997 4.197 20 30 HIEDRO C=CCn1c(-c2ccc(Br)cc2Cl)nnc1N1CCC[N@@H+](CC)CC1 ZINC000558455388 943564438 /nfs/dbraw/zinc/56/44/38/943564438.db2.gz XULQDVGKRHJGEN-UHFFFAOYSA-N 1 0 424.774 4.079 20 30 HIEDRO Cc1cc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc(N2CCCC2)n1 ZINC000558493977 943574697 /nfs/dbraw/zinc/57/46/97/943574697.db2.gz PVEIZXJYBVMKBI-UHFFFAOYSA-N 1 0 400.530 4.057 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccsc1 ZINC000558511308 943580622 /nfs/dbraw/zinc/58/06/22/943580622.db2.gz NMRXXNCXQPMMJF-FQEVSTJZSA-N 1 0 407.499 4.231 20 30 HIEDRO COc1ccc(C[N@H+](CCC(=O)Nc2sccc2C#N)CC2CCC2)c(OC)c1 ZINC000558736813 943635205 /nfs/dbraw/zinc/63/52/05/943635205.db2.gz VJIUZGQLWGIMTD-UHFFFAOYSA-N 1 0 413.543 4.268 20 30 HIEDRO C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000559026537 943809423 /nfs/dbraw/zinc/80/94/23/943809423.db2.gz RHGFCJBUYZTZSE-UHFFFAOYSA-N 1 0 418.589 4.468 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@H](C)c2cc[nH]c(=O)c2)cc1OCC ZINC000559321872 943896416 /nfs/dbraw/zinc/89/64/16/943896416.db2.gz DVSXVDIIIQEVFT-CYBMUJFWSA-N 1 0 407.308 4.364 20 30 HIEDRO C=CCOc1c(Br)cc(CNC[C@H]2CC[N@@H+](C(C)C)C2)cc1OCC ZINC000559864426 944070001 /nfs/dbraw/zinc/07/00/01/944070001.db2.gz MBIZWMCMGLKLAG-MRXNPFEDSA-N 1 0 411.384 4.233 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1cc(CN2CCOCC2)ccc1C ZINC000559935743 944091007 /nfs/dbraw/zinc/09/10/07/944091007.db2.gz LSYXGUOKFLGNCH-UHFFFAOYSA-N 1 0 405.523 4.474 20 30 HIEDRO CC(C)N1CC[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000560257120 944208895 /nfs/dbraw/zinc/20/88/95/944208895.db2.gz LJBICHLPFYHKGL-IRLDBZIGSA-N 1 0 411.912 4.312 20 30 HIEDRO Cc1noc(C)c1C(C)(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000560539486 944247670 /nfs/dbraw/zinc/24/76/70/944247670.db2.gz FSVIWAYLDJOLMV-UHFFFAOYSA-N 1 0 400.548 4.347 20 30 HIEDRO Cc1noc(C)c1C(C)(C)[NH2+]CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000560541267 944248004 /nfs/dbraw/zinc/24/80/04/944248004.db2.gz DURMHQBCGAKASM-UHFFFAOYSA-N 1 0 423.517 4.076 20 30 HIEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc(C#N)ccc1Cl ZINC000560598170 944269252 /nfs/dbraw/zinc/26/92/52/944269252.db2.gz BCSAEISKTCYCMG-LJQANCHMSA-N 1 0 419.916 4.416 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)c(-c2ccncc2)n1 ZINC000560611797 944273516 /nfs/dbraw/zinc/27/35/16/944273516.db2.gz IQSYGZUBRDQZEZ-OAQYLSRUSA-N 1 0 407.905 4.165 20 30 HIEDRO Cc1ccc(NC(=O)C[C@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c(C)c1 ZINC000560915932 944369531 /nfs/dbraw/zinc/36/95/31/944369531.db2.gz GFQGKNGVEGZMBS-PELRDEGISA-N 1 0 406.530 4.267 20 30 HIEDRO C=CCCO[C@H](C)C(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000561074126 944429553 /nfs/dbraw/zinc/42/95/53/944429553.db2.gz GOWCGFQOLWEFDN-QPPBQGQZSA-N 1 0 407.558 4.056 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](CC(C)(C)C)c2ccc(Cl)cc2)CC1 ZINC000561452680 944610190 /nfs/dbraw/zinc/61/01/90/944610190.db2.gz LCPFPHXUNKTCJR-HXUWFJFHSA-N 1 0 419.997 4.090 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000562046593 944909426 /nfs/dbraw/zinc/90/94/26/944909426.db2.gz JAXILJLLMLGKKJ-XUEUYAKLSA-N 1 0 422.598 4.251 20 30 HIEDRO CC[NH+]1CCC(CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)CC1 ZINC000564112820 945383879 /nfs/dbraw/zinc/38/38/79/945383879.db2.gz POSRIDSYDLSUKR-UHFFFAOYSA-N 1 0 408.502 4.213 20 30 HIEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)c1ccco1 ZINC000565265024 945796556 /nfs/dbraw/zinc/79/65/56/945796556.db2.gz NGGRVWOTLUFTCN-JXFKEZNVSA-N 1 0 407.470 4.182 20 30 HIEDRO C=CCn1c(CCc2ccco2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000565332448 945813440 /nfs/dbraw/zinc/81/34/40/945813440.db2.gz QSEZDRWBCPIKOR-IFMALSPDSA-N 1 0 419.573 4.332 20 30 HIEDRO C[C@@H]1C[C@@H](N(C)C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000565612727 945854737 /nfs/dbraw/zinc/85/47/37/945854737.db2.gz NNBAZTLBUVDBAI-BEFAXECRSA-N 1 0 416.447 4.097 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000565767054 945880821 /nfs/dbraw/zinc/88/08/21/945880821.db2.gz KTCNGEIOSLUFJG-UWJYYQICSA-N 1 0 420.513 4.450 20 30 HIEDRO CCN(c1nnc(-c2cccc(C#N)c2)n1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000565979798 945959553 /nfs/dbraw/zinc/95/95/53/945959553.db2.gz MPWHRGZFGLJENZ-XMSQKQJNSA-N 1 0 400.530 4.016 20 30 HIEDRO COc1ccc(C[N@H+](CCC(=O)Nc2ccccc2C#N)[C@@H](C)C2CC2)c(OC)c1 ZINC000566666411 946069489 /nfs/dbraw/zinc/06/94/89/946069489.db2.gz IZXSGASLVYVLAD-KRWDZBQOSA-N 1 0 407.514 4.205 20 30 HIEDRO C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000566702153 946076192 /nfs/dbraw/zinc/07/61/92/946076192.db2.gz XKBHJNJDROCAPO-MSOLQXFVSA-N 1 0 405.498 4.019 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)sc2c1CCCCC2 ZINC000567087315 946238089 /nfs/dbraw/zinc/23/80/89/946238089.db2.gz PRGWEEZOPXCZDR-RXVVDRJESA-N 1 0 413.587 4.251 20 30 HIEDRO C=C(C)[C@@H](CC(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1)OCC ZINC000567393318 946322644 /nfs/dbraw/zinc/32/26/44/946322644.db2.gz BXXOHWHXGTZWSS-LOSJGSFVSA-N 1 0 421.585 4.446 20 30 HIEDRO CC(C)Oc1ccc([C@H](CNC(=O)c2cc(-c3cccc(C#N)c3)no2)[NH+](C)C)cc1 ZINC000568314564 946502227 /nfs/dbraw/zinc/50/22/27/946502227.db2.gz DCBIVBIBQSKJEC-QFIPXVFZSA-N 1 0 418.497 4.033 20 30 HIEDRO COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)cc1 ZINC000568375345 946527074 /nfs/dbraw/zinc/52/70/74/946527074.db2.gz HROVKFVEXXEXEK-QHCPKHFHSA-N 1 0 403.526 4.289 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccnc2ccc(Oc3ccccc3)cc21 ZINC000569394916 946866074 /nfs/dbraw/zinc/86/60/74/946866074.db2.gz VWODJRQUASEENB-UHFFFAOYSA-N 1 0 417.513 4.148 20 30 HIEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccco1 ZINC000569402323 946868236 /nfs/dbraw/zinc/86/82/36/946868236.db2.gz UWQZMYMGRIKAEI-UZLBHIALSA-N 1 0 407.470 4.182 20 30 HIEDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000569968982 947056042 /nfs/dbraw/zinc/05/60/42/947056042.db2.gz PDTTUOWXFUKYOV-FYYLOGMGSA-N 1 0 406.551 4.436 20 30 HIEDRO C[C@H]1CN(Cc2cccc(C[NH2+]Cc3ccc(C#N)cc3C(F)(F)F)c2)CCO1 ZINC000569973010 947057567 /nfs/dbraw/zinc/05/75/67/947057567.db2.gz SSNRNCVSPMYUAL-INIZCTEOSA-N 1 0 403.448 4.088 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@@H](C)Cc2ccccc2C)c1C#N ZINC000571372400 947628998 /nfs/dbraw/zinc/62/89/98/947628998.db2.gz WCJQWAHLRUHSRX-SFHVURJKSA-N 1 0 418.541 4.428 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000571664891 947739198 /nfs/dbraw/zinc/73/91/98/947739198.db2.gz PZELIKNSDIZACB-QVKFZJNVSA-N 1 0 409.917 4.222 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000571890719 947807326 /nfs/dbraw/zinc/80/73/26/947807326.db2.gz XCFMYHFGPDKYQS-JOCHJYFZSA-N 1 0 418.589 4.341 20 30 HIEDRO N#Cc1ccc(C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)c(C(F)(F)F)c1 ZINC000572143234 947849625 /nfs/dbraw/zinc/84/96/25/947849625.db2.gz VKFLEYOYNJCWBU-HNNXBMFYSA-N 1 0 418.337 4.125 20 30 HIEDRO N#CC1(c2ccccn2)CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000572304899 947879421 /nfs/dbraw/zinc/87/94/21/947879421.db2.gz KOCQUPUJCLKYSN-UHFFFAOYSA-N 1 0 403.313 4.274 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000572629024 947961528 /nfs/dbraw/zinc/96/15/28/947961528.db2.gz BCPIWZNXVLYWJB-MAUKXSAKSA-N 1 0 417.962 4.386 20 30 HIEDRO N#Cc1cc(Br)ccc1CNc1ccccc1C[NH+]1CCC(CO)CC1 ZINC000572799613 948013889 /nfs/dbraw/zinc/01/38/89/948013889.db2.gz RGTQNWXWTAVGGF-UHFFFAOYSA-N 1 0 414.347 4.137 20 30 HIEDRO COc1cc(C[NH2+]Cc2ccc(I)cc2Cl)ccc1C#N ZINC000573143620 948087508 /nfs/dbraw/zinc/08/75/08/948087508.db2.gz TTZLCKCAXVPBPY-UHFFFAOYSA-N 1 0 412.658 4.115 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)[C@@H]1COc2ccccc21)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000573224156 948110494 /nfs/dbraw/zinc/11/04/94/948110494.db2.gz UQBFJZNHWQBOSO-DOXZYTNZSA-N 1 0 409.555 4.370 20 30 HIEDRO C=CCOc1c(Br)cc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1OC ZINC000573288376 948146481 /nfs/dbraw/zinc/14/64/81/948146481.db2.gz YICUAKWEBQUBIV-NVXWUHKLSA-N 1 0 409.368 4.081 20 30 HIEDRO N#CC(CC[NH2+][C@H]1CCCC[C@H]1N1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000573314727 948155842 /nfs/dbraw/zinc/15/58/42/948155842.db2.gz VGXJDGZRTYUNBQ-LOSJGSFVSA-N 1 0 403.570 4.119 20 30 HIEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627206 719080876 /nfs/dbraw/zinc/08/08/76/719080876.db2.gz PRYRESSUANGVLI-ROUUACIJSA-N 1 0 402.876 4.252 20 30 HIEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc3ccc(C)cc3c(Cl)c1C#N)C2 ZINC001164810234 720207657 /nfs/dbraw/zinc/20/76/57/720207657.db2.gz AOYPYYWJFDZBTD-UUOWRZLLSA-N 1 0 424.976 4.253 20 30 HIEDRO CC(C)c1ccc(C#N)c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164842758 720666936 /nfs/dbraw/zinc/66/69/36/720666936.db2.gz UATNENOTBKSMDN-QFIPXVFZSA-N 1 0 404.558 4.337 20 30 HIEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc3c(cc1C#N)CCCC3)CC2 ZINC001164796394 721500416 /nfs/dbraw/zinc/50/04/16/721500416.db2.gz UBENVTCBLOPDSJ-UHFFFAOYSA-N 1 0 401.558 4.108 20 30 HIEDRO Cc1cc(Cl)nc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1C#N ZINC001164904735 721585611 /nfs/dbraw/zinc/58/56/11/721585611.db2.gz FYTBKOUKRILZER-FQEVSTJZSA-N 1 0 417.891 4.048 20 30 HIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc(C4(C#N)CCC4)cn3)C[C@H]21 ZINC001165019856 721811984 /nfs/dbraw/zinc/81/19/84/721811984.db2.gz BZYCYBUDEKVGRJ-UEVCKROQSA-N 1 0 401.558 4.159 20 30 HIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(Cl)c(Cl)cc3C#N)C[C@H]21 ZINC001165022749 721812231 /nfs/dbraw/zinc/81/22/31/721812231.db2.gz HBPODZFIINVTID-LSBZLQRGSA-N 1 0 416.356 4.392 20 30 HIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc(Cl)c3C#N)C[C@H]21 ZINC001165028957 721830175 /nfs/dbraw/zinc/83/01/75/721830175.db2.gz WAIBVYBOIRTFAW-POZUXBRTSA-N 1 0 416.356 4.392 20 30 HIEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccc3ccc(C#N)cc32)CC1 ZINC001165023470 721840502 /nfs/dbraw/zinc/84/05/02/721840502.db2.gz YUUBSABUIXJJSW-UHFFFAOYSA-N 1 0 416.525 4.224 20 30 HIEDRO N#Cc1cccc(-c2cc(C(F)(F)N3CC[NH+](C4CCCC4)CC3)c(Cl)nn2)c1 ZINC001165033713 721862667 /nfs/dbraw/zinc/86/26/67/721862667.db2.gz WGVAYFJGXRHKAH-UHFFFAOYSA-N 1 0 417.891 4.278 20 30 HIEDRO CCN(CC(=O)Nc1ccccc1SCC#N)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000435943254 861208228 /nfs/dbraw/zinc/20/82/28/861208228.db2.gz OMDNTIQDOMLQKI-FPOVZHCZSA-N 1 0 422.598 4.398 20 30 HIEDRO C[C@@H](Oc1cccc2ccccc21)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000436036420 861327883 /nfs/dbraw/zinc/32/78/83/861327883.db2.gz XKDCDKNMMWBXHL-HXUWFJFHSA-N 1 0 413.521 4.282 20 30 HIEDRO Cc1ccc[n+](C(C(=O)c2ccc3c(c2)OCCO3)C(=S)Nc2ccccc2)c1 ZINC000006912844 845223919 /nfs/dbraw/zinc/22/39/19/845223919.db2.gz AJKQDMMKDUPUGI-UHFFFAOYSA-O 1 0 405.499 4.105 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2ccc3c(c2)OCCO3)C(=S)Nc2ccccc2)cc1 ZINC000010170430 845625933 /nfs/dbraw/zinc/62/59/33/845625933.db2.gz HPIYOORPXARLIW-UHFFFAOYSA-O 1 0 419.526 4.359 20 30 HIEDRO COC(=O)c1c(C)[nH]c(C(=O)C(C(=S)Nc2ccc(C)cc2)[n+]2ccccc2)c1C ZINC000010173266 845627635 /nfs/dbraw/zinc/62/76/35/845627635.db2.gz MFPSNBWHCRIDDT-UHFFFAOYSA-O 1 0 422.530 4.065 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccccc2F)[n+]2cccc(CO)c2)c(C)s1 ZINC000011171603 845763001 /nfs/dbraw/zinc/76/30/01/845763001.db2.gz QZEFVZKUOZKXGJ-UHFFFAOYSA-O 1 0 415.535 4.335 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 ZINC000436302294 861607662 /nfs/dbraw/zinc/60/76/62/861607662.db2.gz SQZSSJUKHASIMP-XQFWAAQXSA-N 1 0 420.619 4.320 20 30 HIEDRO N#Cc1ccc(C2(C(=O)Nc3cccc(NC(=O)C[NH+]4CCCCCC4)c3)CC2)cc1 ZINC000436360363 861691053 /nfs/dbraw/zinc/69/10/53/861691053.db2.gz AHESCWIUHMVJMJ-UHFFFAOYSA-N 1 0 416.525 4.043 20 30 HIEDRO N#Cc1ccc(C2(C(=O)Nc3ccc(NC(=O)CC[NH+]4CCCCC4)cc3)CC2)cc1 ZINC000436362305 861694790 /nfs/dbraw/zinc/69/47/90/861694790.db2.gz JNXFXTMGRUJTGG-UHFFFAOYSA-N 1 0 416.525 4.043 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)NC2CC2)[n+]2ccc(Cc3ccccc3)cc2)c(C)n1C ZINC000022688545 846604198 /nfs/dbraw/zinc/60/41/98/846604198.db2.gz KXEIBGUQPRKMBQ-UHFFFAOYSA-O 1 0 418.586 4.211 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2ccc(OC)cc2)C(=S)NCc2ccccc2)cc1 ZINC000022730856 846610405 /nfs/dbraw/zinc/61/04/05/846610405.db2.gz KPSOHZZMRJBXKK-UHFFFAOYSA-O 1 0 405.543 4.274 20 30 HIEDRO CCCNC(=S)C(C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccc(N(C)C)cc1 ZINC000022804242 846622762 /nfs/dbraw/zinc/62/27/62/846622762.db2.gz QRAHMUWANJWNDQ-UHFFFAOYSA-O 1 0 411.378 4.285 20 30 HIEDRO CCc1cccc(NC(=S)C(C(=O)c2cc(C)[nH]c2C)[n+]2cccc(CO)c2)c1 ZINC000023604566 846727459 /nfs/dbraw/zinc/72/74/59/846727459.db2.gz DUJHUICIERJKRQ-UHFFFAOYSA-O 1 0 408.547 4.025 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)CCCC2)[n+]1ccc(N(C)C)cc1 ZINC000027311072 847281848 /nfs/dbraw/zinc/28/18/48/847281848.db2.gz PPMFOYSSONNLSY-UHFFFAOYSA-O 1 0 408.591 4.023 20 30 HIEDRO C=CCc1cc(C(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)cc(OC)c1OC ZINC000027342329 847285841 /nfs/dbraw/zinc/28/58/41/847285841.db2.gz AWBGYKZBCOPOAV-JOCHJYFZSA-N 1 0 424.541 4.008 20 30 HIEDRO CC(=O)c1c(C)[nH]c(C(=O)C(C(=S)Nc2ccccc2C)[n+]2ccccc2)c1C ZINC000028695925 847450193 /nfs/dbraw/zinc/45/01/93/847450193.db2.gz JKXVFRYZTAVDFV-UHFFFAOYSA-O 1 0 406.531 4.481 20 30 HIEDRO COc1cccc(NC(=S)C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)[n+]2ccccc2)c1 ZINC000028793369 847461883 /nfs/dbraw/zinc/46/18/83/847461883.db2.gz AOFOUCUQYDCTEM-UHFFFAOYSA-O 1 0 422.530 4.181 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C2CC2)nc(SC)c1C#N)c1ccsc1 ZINC000029415113 847560186 /nfs/dbraw/zinc/56/01/86/847560186.db2.gz ZCKPBXNYHYPPLF-LJQANCHMSA-N 1 0 414.600 4.427 20 30 HIEDRO CCc1cccc(CC)c1NC(=O)[C@@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000042643473 848338510 /nfs/dbraw/zinc/33/85/10/848338510.db2.gz XLKKVUQBHMUYQC-HXUWFJFHSA-N 1 0 418.585 4.218 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc4oc(C5CC5)nc4c3)CC2)cc1 ZINC000044308891 848543193 /nfs/dbraw/zinc/54/31/93/848543193.db2.gz ZMZULULZWYZDJV-UHFFFAOYSA-N 1 0 415.497 4.317 20 30 HIEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000046129836 848787909 /nfs/dbraw/zinc/78/79/09/848787909.db2.gz WRVXXPGRBCNJOU-WOJBJXKFSA-N 1 0 404.558 4.378 20 30 HIEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000046934123 848962322 /nfs/dbraw/zinc/96/23/22/848962322.db2.gz LMCCMZFEQCMEPN-SFHVURJKSA-N 1 0 407.562 4.217 20 30 HIEDRO CC(C)(C)C(=O)N1CCC([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000047703993 849093651 /nfs/dbraw/zinc/09/36/51/849093651.db2.gz JNHVWHZPTUDYHH-UHFFFAOYSA-N 1 0 405.542 4.264 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000048161716 849182989 /nfs/dbraw/zinc/18/29/89/849182989.db2.gz JPGVFWQMDMJYCR-UHFFFAOYSA-N 1 0 418.541 4.424 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)Cc1cccc2ccccc21 ZINC000051993084 849536018 /nfs/dbraw/zinc/53/60/18/849536018.db2.gz IFJBTJAYGBDUEO-UHFFFAOYSA-N 1 0 418.541 4.237 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000053721011 849749460 /nfs/dbraw/zinc/74/94/60/849749460.db2.gz HVORILKJQTUVPB-UHFFFAOYSA-N 1 0 402.325 4.142 20 30 HIEDRO Cc1ccc(-c2nnc([C@@H](C)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)o2)cc1 ZINC000054643153 849898409 /nfs/dbraw/zinc/89/84/09/849898409.db2.gz UDFWZWDUHQSBNA-LJQANCHMSA-N 1 0 401.514 4.186 20 30 HIEDRO CC(C)NC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000055009581 849955227 /nfs/dbraw/zinc/95/52/27/849955227.db2.gz QQWTWMQEBLJXBZ-UHFFFAOYSA-O 1 0 400.524 4.117 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(OCc2cccnc2)cc1)C(=O)Nc1ccccc1C#N ZINC000056144407 850253738 /nfs/dbraw/zinc/25/37/38/850253738.db2.gz VTRFEIUIKGWHCN-QZTJIDSGSA-N 1 0 400.482 4.210 20 30 HIEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207125 850283660 /nfs/dbraw/zinc/28/36/60/850283660.db2.gz LCXQNXHTLQXUPJ-QZTJIDSGSA-N 1 0 409.505 4.318 20 30 HIEDRO C=CCc1cc(OCC)cc(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)c1O ZINC000057086598 850546146 /nfs/dbraw/zinc/54/61/46/850546146.db2.gz AJCOOKYWTAMGME-UHFFFAOYSA-N 1 0 408.542 4.222 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H]1c1ccc3c(c1)OCCO3)CCC2 ZINC000058490825 850837813 /nfs/dbraw/zinc/83/78/13/850837813.db2.gz UIBBUZLYORUIBO-SFHVURJKSA-N 1 0 423.538 4.045 20 30 HIEDRO C=CCOc1ccc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)cc1OC ZINC000058952292 850966522 /nfs/dbraw/zinc/96/65/22/850966522.db2.gz SRZCMJORJDIXQW-LJQANCHMSA-N 1 0 408.542 4.422 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)c1C#N ZINC000063080679 851611241 /nfs/dbraw/zinc/61/12/41/851611241.db2.gz QDXDKXLRJYDVMB-UHFFFAOYSA-N 1 0 420.582 4.195 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1 ZINC000063394260 851676746 /nfs/dbraw/zinc/67/67/46/851676746.db2.gz REZPMWNQXRLXQP-UHFFFAOYSA-N 1 0 424.589 4.277 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1 ZINC000063657421 851735897 /nfs/dbraw/zinc/73/58/97/851735897.db2.gz JAHHSPDMBQHJLR-QHCPKHFHSA-N 1 0 403.526 4.104 20 30 HIEDRO CC(C)[N@H+](CC(=O)N(C)Cc1ccc(OC(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000063751180 851754407 /nfs/dbraw/zinc/75/44/07/851754407.db2.gz AERTUDZFVLLALN-UHFFFAOYSA-N 1 0 401.457 4.029 20 30 HIEDRO CC[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1cc(Br)ccc1F ZINC000063751594 851754607 /nfs/dbraw/zinc/75/46/07/851754607.db2.gz YJMUDHPLDMXBNE-UHFFFAOYSA-N 1 0 404.283 4.311 20 30 HIEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@H+](CCc1ccccc1)C1CCCC1 ZINC000063754606 851756280 /nfs/dbraw/zinc/75/62/80/851756280.db2.gz VRWVNIRUFFDKET-UHFFFAOYSA-N 1 0 413.525 4.170 20 30 HIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000064251248 851857684 /nfs/dbraw/zinc/85/76/84/851857684.db2.gz BFGSBJKXOCYXFI-UHFFFAOYSA-N 1 0 410.587 4.454 20 30 HIEDRO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437109110 862295414 /nfs/dbraw/zinc/29/54/14/862295414.db2.gz WEFUIMOWECUTMB-IJNIYJAUSA-N 1 0 412.921 4.304 20 30 HIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2)cc1OCCCC#N ZINC000064614373 851940631 /nfs/dbraw/zinc/94/06/31/851940631.db2.gz UCTWBISWQPOFIQ-IBGZPJMESA-N 1 0 409.530 4.065 20 30 HIEDRO COc1ccc(C[NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)cc1OCCCC#N ZINC000064614407 851941858 /nfs/dbraw/zinc/94/18/58/851941858.db2.gz SGCCTNJPJMVLCG-SFHVURJKSA-N 1 0 415.484 4.272 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)NCc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000065697636 852222889 /nfs/dbraw/zinc/22/28/89/852222889.db2.gz KFQNQXCQIHRNSU-FQEVSTJZSA-N 1 0 418.463 4.459 20 30 HIEDRO COc1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)ccc1OC1CCCC1 ZINC000065930400 852320938 /nfs/dbraw/zinc/32/09/38/852320938.db2.gz GBNDILONAHOBNB-UHFFFAOYSA-N 1 0 421.541 4.092 20 30 HIEDRO Cc1nc(-c2ccccc2)sc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000065931001 852322428 /nfs/dbraw/zinc/32/24/28/852322428.db2.gz XEWLSTNYPLYJCH-UHFFFAOYSA-N 1 0 404.539 4.194 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000097327570 852602444 /nfs/dbraw/zinc/60/24/44/852602444.db2.gz PLCUGIVAXJWORQ-LEWJYISDSA-N 1 0 415.459 4.271 20 30 HIEDRO N#CCc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000097366085 852605663 /nfs/dbraw/zinc/60/56/63/852605663.db2.gz STMHRAQJHFTNGY-UHFFFAOYSA-N 1 0 401.432 4.120 20 30 HIEDRO Cc1cc(C)c(NC(=O)[C@@H](C)ON=C(N)c2cccc(C[NH+]3CCCCC3)c2)c(C)c1 ZINC000097571268 852632451 /nfs/dbraw/zinc/63/24/51/852632451.db2.gz BNGICLZQHMGCRK-HXUWFJFHSA-N 1 0 422.573 4.262 20 30 HIEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)CSCc3ccc(C#N)cc3)cc2)C1 ZINC000107715147 852789420 /nfs/dbraw/zinc/78/94/20/852789420.db2.gz CREZBGDCRNVSGO-IBGZPJMESA-N 1 0 407.583 4.340 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CSCc1ccc(C#N)cc1 ZINC000107715157 852789467 /nfs/dbraw/zinc/78/94/67/852789467.db2.gz YJIXTKGQTKDUIP-IBGZPJMESA-N 1 0 407.583 4.482 20 30 HIEDRO NC(=NOCc1coc(-c2ccc(F)cc2)n1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000110177155 853068405 /nfs/dbraw/zinc/06/84/05/853068405.db2.gz ODYDEWHLENFGPD-UHFFFAOYSA-N 1 0 408.477 4.304 20 30 HIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@H+](C)CCc2ccccc2)c1C#N ZINC000117431279 853356990 /nfs/dbraw/zinc/35/69/90/853356990.db2.gz NEKFXKZADYNWAN-UHFFFAOYSA-N 1 0 400.526 4.138 20 30 HIEDRO C=CCn1c([C@@H]2COc3ccccc3O2)nn(CN2CCC[C@H]2C(C)C)c1=S ZINC000139933535 853426834 /nfs/dbraw/zinc/42/68/34/853426834.db2.gz ZGVSYPKVLCJJBH-LPHOPBHVSA-N 1 0 400.548 4.190 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CCN1CCC[N@H+](CC3CCCCC3)CC1)CCC2 ZINC000165672721 853652693 /nfs/dbraw/zinc/65/26/93/853652693.db2.gz WHKSANPIDIPHKN-UHFFFAOYSA-N 1 0 414.619 4.025 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)ccc1Br ZINC000195622849 853721700 /nfs/dbraw/zinc/72/17/00/853721700.db2.gz FOKKSWAWMSAHOQ-UHFFFAOYSA-N 1 0 420.738 4.178 20 30 HIEDRO CCCC(=O)Nc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C ZINC000195659272 853741505 /nfs/dbraw/zinc/74/15/05/853741505.db2.gz QPXYREUUWDAQSB-UHFFFAOYSA-N 1 0 421.545 4.201 20 30 HIEDRO C[NH+]1CCC(N(Cc2ccco2)C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000195693039 853762423 /nfs/dbraw/zinc/76/24/23/853762423.db2.gz SHSSUOXENODZNN-UHFFFAOYSA-N 1 0 419.481 4.060 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)ccc1OC ZINC000237350203 854011368 /nfs/dbraw/zinc/01/13/68/854011368.db2.gz DDCKLXIQFBXOOD-UHFFFAOYSA-N 1 0 408.542 4.353 20 30 HIEDRO COc1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)ccc1OC(F)F ZINC000237363776 854014410 /nfs/dbraw/zinc/01/44/10/854014410.db2.gz WAAFEMLJMDNESJ-MRXNPFEDSA-N 1 0 405.420 4.066 20 30 HIEDRO C=CCOc1ccc(C[NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)cc1OC ZINC000237431962 854032567 /nfs/dbraw/zinc/03/25/67/854032567.db2.gz MHXNANYXXMFKGN-OAQYLSRUSA-N 1 0 416.949 4.077 20 30 HIEDRO C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C#N)cc1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000237503491 854046487 /nfs/dbraw/zinc/04/64/87/854046487.db2.gz LDDCCUFXQHUHQZ-ZWKOTPCHSA-N 1 0 400.482 4.476 20 30 HIEDRO C#CCCOc1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000237577793 854057694 /nfs/dbraw/zinc/05/76/94/854057694.db2.gz BCLXJGKACNXSFR-HXUWFJFHSA-N 1 0 405.542 4.196 20 30 HIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000237605240 854060635 /nfs/dbraw/zinc/06/06/35/854060635.db2.gz AXVCLARTLZPSDM-SJLPKXTDSA-N 1 0 401.457 4.337 20 30 HIEDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000237642922 854066834 /nfs/dbraw/zinc/06/68/34/854066834.db2.gz PYOWIHCKDHTVJX-QFIPXVFZSA-N 1 0 417.532 4.318 20 30 HIEDRO Cc1ccc(NC(=O)COc2ccc(CC[NH2+]Cc3cc(C#N)cs3)cc2)cc1 ZINC000237681764 854074051 /nfs/dbraw/zinc/07/40/51/854074051.db2.gz MMVFDGSSRXQGMF-UHFFFAOYSA-N 1 0 405.523 4.278 20 30 HIEDRO C#CCOc1ccc(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)cc1 ZINC000237692875 854077155 /nfs/dbraw/zinc/07/71/55/854077155.db2.gz JGLZNOVMPFWRRB-OAQYLSRUSA-N 1 0 416.443 4.171 20 30 HIEDRO Cc1nc(COc2ccc(C[NH2+]CC#Cc3ccc(C(F)(F)F)cc3)cc2)no1 ZINC000237746374 854087656 /nfs/dbraw/zinc/08/76/56/854087656.db2.gz QKSKEGQVNMJECU-UHFFFAOYSA-N 1 0 401.388 4.117 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000237837608 854106561 /nfs/dbraw/zinc/10/65/61/854106561.db2.gz VZAIQCAVVSEWST-UHFFFAOYSA-N 1 0 412.537 4.286 20 30 HIEDRO C=CCc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccc(Br)cc2)c(OC)c1 ZINC000301316713 854357337 /nfs/dbraw/zinc/35/73/37/854357337.db2.gz VYNHTYHSVZNDJE-IBGZPJMESA-N 1 0 420.347 4.058 20 30 HIEDRO COc1ccc([C@@H](CNc2c(C#N)cnc3c(C)cc(F)cc32)[NH+](C)C)cc1OC ZINC000302564970 854586595 /nfs/dbraw/zinc/58/65/95/854586595.db2.gz OFOCXGYIKIFSCV-LJQANCHMSA-N 1 0 408.477 4.286 20 30 HIEDRO Cc1nc2sc3c(c2c(N2CCC[N@H+](Cc4ccc(C#N)cc4)CC2)n1)CCC3 ZINC000302911182 854676293 /nfs/dbraw/zinc/67/62/93/854676293.db2.gz MJBPCIRHJPRKSN-UHFFFAOYSA-N 1 0 403.555 4.072 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000303128356 854774651 /nfs/dbraw/zinc/77/46/51/854774651.db2.gz ARZHSQHGGDWSMB-QHCPKHFHSA-N 1 0 410.606 4.138 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc32)CC1 ZINC000303254116 854837020 /nfs/dbraw/zinc/83/70/20/854837020.db2.gz GLFVPIKCJHSVMX-UHFFFAOYSA-N 1 0 401.510 4.291 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2SCC(=O)Nc2ccc(C)cc2)CC1 ZINC000303259533 854839570 /nfs/dbraw/zinc/83/95/70/854839570.db2.gz HLKKUHXBASAOPO-UHFFFAOYSA-N 1 0 423.582 4.106 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cn(C(C)(C)C)nc2-c2ccccc2Cl)CC1 ZINC000303275566 854846944 /nfs/dbraw/zinc/84/69/44/854846944.db2.gz IPQBUHRXPBEFQD-UHFFFAOYSA-N 1 0 400.954 4.339 20 30 HIEDRO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCc2ccc(Br)cc2)c(C#N)c1C ZINC000303279151 854848564 /nfs/dbraw/zinc/84/85/64/854848564.db2.gz IDZDONGVDRWQEJ-CYBMUJFWSA-N 1 0 404.308 4.032 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC(C)(C)c2ccc(Br)cc2)CC1 ZINC000303326645 854873434 /nfs/dbraw/zinc/87/34/34/854873434.db2.gz MXJPHUGAVKUKHR-UHFFFAOYSA-N 1 0 408.384 4.066 20 30 HIEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)c2sc(-c3ccc(Cl)cc3)nc2C)CC1 ZINC000303348839 854886476 /nfs/dbraw/zinc/88/64/76/854886476.db2.gz XVHYTEYRDMTUBH-CQSZACIVSA-N 1 0 401.963 4.294 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OC(F)F)cc2OC(F)F)CC1 ZINC000303373981 854897890 /nfs/dbraw/zinc/89/78/90/854897890.db2.gz VZAYZOOMEIUTIT-UHFFFAOYSA-N 1 0 405.392 4.051 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CC(=O)c2cn(CCC#N)c3ccccc23)C1 ZINC000303533820 855019993 /nfs/dbraw/zinc/01/99/93/855019993.db2.gz FGDSRRARSVGSLL-LEWJYISDSA-N 1 0 406.574 4.324 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)c1cccc(F)c1 ZINC000303544022 855029614 /nfs/dbraw/zinc/02/96/14/855029614.db2.gz IKVFXZSCZNBYGN-QHCPKHFHSA-N 1 0 417.484 4.309 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303562776 855041500 /nfs/dbraw/zinc/04/15/00/855041500.db2.gz IHZXRKYGEHAJQX-QHAWAJNXSA-N 1 0 403.636 4.238 20 30 HIEDRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000303589066 855061954 /nfs/dbraw/zinc/06/19/54/855061954.db2.gz UMIKJNIZYYXDHI-HXUWFJFHSA-N 1 0 421.589 4.481 20 30 HIEDRO CCCC[N@H+](C)CC1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 ZINC000303588505 855062249 /nfs/dbraw/zinc/06/22/49/855062249.db2.gz OFUBTVXFFCJSPM-UHFFFAOYSA-N 1 0 409.530 4.314 20 30 HIEDRO Cc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000303626683 855085718 /nfs/dbraw/zinc/08/57/18/855085718.db2.gz XXJJCJKINIQDLH-GOSISDBHSA-N 1 0 402.420 4.282 20 30 HIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000303661356 855114021 /nfs/dbraw/zinc/11/40/21/855114021.db2.gz VSGZFFIQWVFZHB-VABKMULXSA-N 1 0 410.606 4.217 20 30 HIEDRO CCN(CC)[C@H](CNC(=[NH2+])Nc1ccc(OC)c(Cl)c1)c1cccc(OC)c1 ZINC000303779282 855193906 /nfs/dbraw/zinc/19/39/06/855193906.db2.gz KIFDTEWTCPIBTE-LJQANCHMSA-N 1 0 404.942 4.167 20 30 HIEDRO CCN(CC)C(=[NH2+])NC[C@@H](c1ccc(SC)cc1)N1CCc2sccc2C1 ZINC000303868756 855260699 /nfs/dbraw/zinc/26/06/99/855260699.db2.gz DMXATLZVXIWUSH-IBGZPJMESA-N 1 0 402.633 4.226 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(-n3ccnc3C)c(F)c2)c1 ZINC000303887747 855270510 /nfs/dbraw/zinc/27/05/10/855270510.db2.gz ONIPCEMLXMQFAP-UHFFFAOYSA-N 1 0 411.481 4.044 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCc2ccc(COCc3ccccc3)cc2)cc1OC ZINC000303898944 855276323 /nfs/dbraw/zinc/27/63/23/855276323.db2.gz RKUQWNDZJSZTIM-UHFFFAOYSA-N 1 0 405.498 4.347 20 30 HIEDRO [NH2+]=C(NCc1cccc(COCc2ccccc2)c1)Nc1ccc2c(c1)OCCCO2 ZINC000303901330 855277507 /nfs/dbraw/zinc/27/75/07/855277507.db2.gz SQRPDPVFBAFHDS-UHFFFAOYSA-N 1 0 417.509 4.492 20 30 HIEDRO [NH2+]=C(NCc1cccc(OCc2ccccc2)c1)Nc1ccc2c(c1)OCCCO2 ZINC000303905582 855280440 /nfs/dbraw/zinc/28/04/40/855280440.db2.gz VSANLCKMBZSQKT-UHFFFAOYSA-N 1 0 403.482 4.354 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCc2ccc(CN3CCc4ccccc43)cc2)cc1OC ZINC000303908211 855282622 /nfs/dbraw/zinc/28/26/22/855282622.db2.gz XIKCOZNFKVSIOK-UHFFFAOYSA-N 1 0 416.525 4.193 20 30 HIEDRO CCc1ccc(NC(=[NH2+])NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1 ZINC000303972781 855330734 /nfs/dbraw/zinc/33/07/34/855330734.db2.gz GFVGBHFMELPLJY-HXUWFJFHSA-N 1 0 420.479 4.068 20 30 HIEDRO COc1cccc(N2CC[C@H](CNC(=[NH2+])N[C@@H](C)c3ccc(Cl)cc3Cl)C2)c1 ZINC000303985256 855336944 /nfs/dbraw/zinc/33/69/44/855336944.db2.gz STPWGVYFEMMXML-LSDHHAIUSA-N 1 0 421.372 4.494 20 30 HIEDRO COc1ccccc1N1CC[C@H](CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000303988515 855337703 /nfs/dbraw/zinc/33/77/03/855337703.db2.gz WSFMXZLYVSRWNF-HUUCEWRRSA-N 1 0 421.372 4.494 20 30 HIEDRO Cc1ccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c(OC[C@H]2CCOC2)c1 ZINC000304934339 855358728 /nfs/dbraw/zinc/35/87/28/855358728.db2.gz GWGAKMSNFNONLI-HNNXBMFYSA-N 1 0 423.435 4.236 20 30 HIEDRO Cc1ccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c(OC[C@@H]2CCOC2)c1 ZINC000304934340 855359161 /nfs/dbraw/zinc/35/91/61/855359161.db2.gz GWGAKMSNFNONLI-OAHLLOKOSA-N 1 0 423.435 4.236 20 30 HIEDRO [NH2+]=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccccc1OC(F)(F)F ZINC000305266430 855361117 /nfs/dbraw/zinc/36/11/17/855361117.db2.gz YXLPDGTUOUVOJW-UHFFFAOYSA-N 1 0 410.465 4.065 20 30 HIEDRO COc1ccc(C[C@H](C)CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000305704581 855361195 /nfs/dbraw/zinc/36/11/95/855361195.db2.gz VKHJPHKPCNUMMM-ZDUSSCGKSA-N 1 0 411.424 4.208 20 30 HIEDRO C[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)c1nc(-c2ccccc2)no1 ZINC000305670103 855361213 /nfs/dbraw/zinc/36/12/13/855361213.db2.gz WPTQFJLIROTQFF-LBPRGKRZSA-N 1 0 405.380 4.166 20 30 HIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000410325430 855929297 /nfs/dbraw/zinc/92/92/97/855929297.db2.gz YSBAKQDSJAFRCE-UHFFFAOYSA-N 1 0 423.460 4.282 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)C[C@@H]3CCCOC3)sc2C1 ZINC000427009083 856593290 /nfs/dbraw/zinc/59/32/90/856593290.db2.gz PEWFOCUQQCZXEY-DLBZAZTESA-N 1 0 417.619 4.458 20 30 HIEDRO Cc1sc(NC(=O)C[NH2+]C2(c3ccc(Cl)cc3)CCOCC2)c(C#N)c1C ZINC000427012598 856594760 /nfs/dbraw/zinc/59/47/60/856594760.db2.gz RDDRSAXXZNSYSP-UHFFFAOYSA-N 1 0 403.935 4.124 20 30 HIEDRO CN(CC#Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427018984 856598178 /nfs/dbraw/zinc/59/81/78/856598178.db2.gz FVPXYKIGKMKGGS-UHFFFAOYSA-N 1 0 401.476 4.091 20 30 HIEDRO C=CCC[C@H](C(=O)N[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1)c1ccccc1 ZINC000427140640 856664582 /nfs/dbraw/zinc/66/45/82/856664582.db2.gz SYCQGGHFPYOLTI-URXFXBBRSA-N 1 0 408.542 4.144 20 30 HIEDRO C=CCC[C@H](C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000427173276 856690501 /nfs/dbraw/zinc/69/05/01/856690501.db2.gz XKDVENKPTPPSPY-VWLOTQADSA-N 1 0 411.634 4.391 20 30 HIEDRO CC[N@H+](CCNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1)CCC(F)(F)F ZINC000427258344 856740253 /nfs/dbraw/zinc/74/02/53/856740253.db2.gz SLYDILSBSGPVGO-UHFFFAOYSA-N 1 0 404.436 4.306 20 30 HIEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000427492862 856840380 /nfs/dbraw/zinc/84/03/80/856840380.db2.gz NRNOYPHDCZNGPW-UHFFFAOYSA-N 1 0 407.514 4.269 20 30 HIEDRO N#CC1(NC(=O)CCCCC(=O)c2ccc(F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000428029262 857048844 /nfs/dbraw/zinc/04/88/44/857048844.db2.gz YNUOBPIKGISKTK-UHFFFAOYSA-N 1 0 421.516 4.243 20 30 HIEDRO C[NH+](C)CCCOc1cccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1 ZINC000428713933 857307517 /nfs/dbraw/zinc/30/75/17/857307517.db2.gz UHMIEOCAVWGAGY-UHFFFAOYSA-N 1 0 417.513 4.047 20 30 HIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000428911330 857408817 /nfs/dbraw/zinc/40/88/17/857408817.db2.gz JIBJYZKFEPXQQR-KNQAVFIVSA-N 1 0 413.525 4.029 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000429122305 857520083 /nfs/dbraw/zinc/52/00/83/857520083.db2.gz KIGWZNVTWPUDDS-VTJXTGGHSA-N 1 0 415.584 4.230 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)[C@H]2OCCc3sccc32)ccc1Cl ZINC000429157388 857535423 /nfs/dbraw/zinc/53/54/23/857535423.db2.gz VCPPPTXNVABTRA-YCRPNKLZSA-N 1 0 417.962 4.249 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](Cc1nc(C)no1)c1ccccc1 ZINC000429559447 857748959 /nfs/dbraw/zinc/74/89/59/857748959.db2.gz OUHHBFLHKABGJU-LJQANCHMSA-N 1 0 408.527 4.168 20 30 HIEDRO Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000430188465 858073221 /nfs/dbraw/zinc/07/32/21/858073221.db2.gz SDNJOSDSLKTBQP-FQEVSTJZSA-N 1 0 421.932 4.122 20 30 HIEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4)s3)C2)nc1 ZINC000430188662 858073349 /nfs/dbraw/zinc/07/33/49/858073349.db2.gz UWDCWGPZAMXHBK-SFHVURJKSA-N 1 0 406.467 4.243 20 30 HIEDRO C=CCN1C(=O)N(Cc2cccc(C[NH+](CC)CC)c2)C(=O)[C@H]1Cc1ccccc1 ZINC000430739361 858282481 /nfs/dbraw/zinc/28/24/81/858282481.db2.gz CSPKRCRTGWGWKI-HSZRJFAPSA-N 1 0 405.542 4.090 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)NCC[N@H+]3CC=CCC3)cc2Cl)c1 ZINC000432079905 858973728 /nfs/dbraw/zinc/97/37/28/858973728.db2.gz SVFYMQSQGPXYFE-UHFFFAOYSA-N 1 0 410.905 4.174 20 30 HIEDRO C[C@H]1C[N@H+](CCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCCO1 ZINC000432540053 859216876 /nfs/dbraw/zinc/21/68/76/859216876.db2.gz BNWLSAYUJLVBDJ-IBGZPJMESA-N 1 0 423.582 4.081 20 30 HIEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000433008569 859474862 /nfs/dbraw/zinc/47/48/62/859474862.db2.gz DOPLFNIPZUAGMC-RTBURBONSA-N 1 0 409.496 4.452 20 30 HIEDRO COc1cc(C[N@H+](C)C[C@@H](O)Cc2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC000433075759 859511815 /nfs/dbraw/zinc/51/18/15/859511815.db2.gz ZLQDVPPCPPXYOP-DEOSSOPVSA-N 1 0 416.521 4.181 20 30 HIEDRO C[N@@H+](Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C[C@@H](O)COCC(F)(F)F ZINC000433188299 859560859 /nfs/dbraw/zinc/56/08/59/859560859.db2.gz CHINUAOAZJWYTD-GFCCVEGCSA-N 1 0 413.280 4.096 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000433296444 859622047 /nfs/dbraw/zinc/62/20/47/859622047.db2.gz IHHAVGUJTPCKGZ-FDDCHVKYSA-N 1 0 423.582 4.370 20 30 HIEDRO CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000433334360 859649742 /nfs/dbraw/zinc/64/97/42/859649742.db2.gz HIBABLLKPYFYBK-UHFFFAOYSA-N 1 0 417.513 4.104 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccc(OCc3ccccn3)cc2)c(-c2ccncc2)n1 ZINC000433339553 859653886 /nfs/dbraw/zinc/65/38/86/859653886.db2.gz ARASUSKCYSIZBL-UHFFFAOYSA-N 1 0 424.508 4.123 20 30 HIEDRO COc1ccc([C@H]([NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)c2ccc(C)cc2)cc1 ZINC000433699337 859842756 /nfs/dbraw/zinc/84/27/56/859842756.db2.gz MPKJXDYEWYMABC-LOSJGSFVSA-N 1 0 411.505 4.360 20 30 HIEDRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000467703288 881499169 /nfs/dbraw/zinc/49/91/69/881499169.db2.gz ATSZKROYMDULQV-SFHVURJKSA-N 1 0 418.607 4.293 20 30 HIEDRO CCn1nccc1C1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 ZINC000434756999 860483237 /nfs/dbraw/zinc/48/32/37/860483237.db2.gz OMMVFAFOPPBVRC-HXUWFJFHSA-N 1 0 407.562 4.035 20 30 HIEDRO C=CCN(CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)Cc1ccc(OC)cc1 ZINC000434803057 860500344 /nfs/dbraw/zinc/50/03/44/860500344.db2.gz OJAMEMBOOCYPJK-UHFFFAOYSA-N 1 0 418.541 4.433 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1cccc(OCc2ccccn2)c1 ZINC000434879220 860531983 /nfs/dbraw/zinc/53/19/83/860531983.db2.gz HWESIXYMUROZFP-IERDGZPVSA-N 1 0 418.522 4.050 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@H]2C)c1C#N ZINC000434897201 860542273 /nfs/dbraw/zinc/54/22/73/860542273.db2.gz UYLXEHLBWYVGIG-DENIHFKCSA-N 1 0 416.525 4.434 20 30 HIEDRO CC[C@@](C)(O)C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccccc1 ZINC000434980721 860584704 /nfs/dbraw/zinc/58/47/04/860584704.db2.gz GWAMKBYUMHDPHZ-XMMPIXPASA-N 1 0 403.530 4.022 20 30 HIEDRO COC[C@H](c1ccc(Cl)cc1)[N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000434989761 860587999 /nfs/dbraw/zinc/58/79/99/860587999.db2.gz CEQRKPCJMKCBKR-OAQYLSRUSA-N 1 0 409.921 4.332 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(c3ncc4n3CCCC4)CC2)c(-c2ccccc2)n1 ZINC000435061226 860621957 /nfs/dbraw/zinc/62/19/57/860621957.db2.gz XRFDUIBTEZVKCF-UHFFFAOYSA-N 1 0 414.557 4.376 20 30 HIEDRO N#Cc1cccc(C2(C(=O)Nc3cccc(NC(=O)C[NH+]4CCCCCC4)c3)CC2)c1 ZINC000435079458 860632050 /nfs/dbraw/zinc/63/20/50/860632050.db2.gz YOBBCQRHLVNBAV-UHFFFAOYSA-N 1 0 416.525 4.043 20 30 HIEDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)C12CCCCC2 ZINC000435128155 860653473 /nfs/dbraw/zinc/65/34/73/860653473.db2.gz ZNVJOQJMANWJDT-FGZHOGPDSA-N 1 0 407.562 4.418 20 30 HIEDRO N#CCCn1cc(C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000435135915 860658192 /nfs/dbraw/zinc/65/81/92/860658192.db2.gz WKKKEPWYXHYLPB-LJQANCHMSA-N 1 0 403.555 4.473 20 30 HIEDRO N#CCCn1cc(C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c(-c2ccncc2)n1 ZINC000435136100 860658518 /nfs/dbraw/zinc/65/85/18/860658518.db2.gz YKMYMKIQERCDIM-FQEVSTJZSA-N 1 0 407.543 4.101 20 30 HIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)cc1OC ZINC000435138000 860659183 /nfs/dbraw/zinc/65/91/83/860659183.db2.gz PCQLEXJXLFGZNO-NRFANRHFSA-N 1 0 417.513 4.213 20 30 HIEDRO N#CCCn1cc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c(-c2ccncc2)n1 ZINC000435136873 860659341 /nfs/dbraw/zinc/65/93/41/860659341.db2.gz IDWBNKNNTNZJRF-QHCPKHFHSA-N 1 0 419.504 4.179 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)cc1C#N ZINC000435558251 860878519 /nfs/dbraw/zinc/87/85/19/860878519.db2.gz VCCBGTXOWVUBNO-UHFFFAOYSA-N 1 0 406.530 4.174 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000435741459 861022595 /nfs/dbraw/zinc/02/25/95/861022595.db2.gz PFGGTPXYFOJWNQ-CVDCTZTESA-N 1 0 412.486 4.253 20 30 HIEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000437744765 863070108 /nfs/dbraw/zinc/07/01/08/863070108.db2.gz KETDTQHQPOVQLD-JOCHJYFZSA-N 1 0 406.530 4.280 20 30 HIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000437837214 863191739 /nfs/dbraw/zinc/19/17/39/863191739.db2.gz DZLHCEYFBYRXTN-JOCHJYFZSA-N 1 0 422.529 4.234 20 30 HIEDRO CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)CC1CCN(c2ccccn2)CC1 ZINC000437909583 863284184 /nfs/dbraw/zinc/28/41/84/863284184.db2.gz YSNHUARHWYMFPM-UHFFFAOYSA-N 1 0 400.473 4.293 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000438445967 863871406 /nfs/dbraw/zinc/87/14/06/863871406.db2.gz DKROZNZHFHAUHC-RPBOFIJWSA-N 1 0 421.585 4.311 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000438456310 863879687 /nfs/dbraw/zinc/87/96/87/863879687.db2.gz CMEQJZFXCFONRO-UHFFFAOYSA-N 1 0 401.470 4.015 20 30 HIEDRO COc1cccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c1OC(F)F ZINC000438463647 863886169 /nfs/dbraw/zinc/88/61/69/863886169.db2.gz DOMLHCLBCGFPNJ-UHFFFAOYSA-N 1 0 403.429 4.043 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccccc3CC(F)(F)F)CC2)cc1 ZINC000438606578 864032232 /nfs/dbraw/zinc/03/22/32/864032232.db2.gz RQGNBBQPVJRHRA-UHFFFAOYSA-N 1 0 416.447 4.403 20 30 HIEDRO COc1cccc([C@@H](CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000438641644 864077377 /nfs/dbraw/zinc/07/73/77/864077377.db2.gz NAJFBFDEJVUYBH-GOSISDBHSA-N 1 0 406.408 4.010 20 30 HIEDRO C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)c1 ZINC000439360747 864802128 /nfs/dbraw/zinc/80/21/28/864802128.db2.gz QDKRZZBQHBLAKC-LJQANCHMSA-N 1 0 421.541 4.451 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)c(Cl)c1 ZINC000439461896 864841019 /nfs/dbraw/zinc/84/10/19/864841019.db2.gz MZBVBCIHEMEDBZ-MRXNPFEDSA-N 1 0 400.885 4.384 20 30 HIEDRO CC(C)CCN(CCC#N)C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000439604650 864927850 /nfs/dbraw/zinc/92/78/50/864927850.db2.gz SBMBEBMIKZDTFA-UHFFFAOYSA-N 1 0 412.578 4.178 20 30 HIEDRO COc1cccc(C2(C[NH2+][C@H](C)C(=O)N(CCC#N)c3ccccc3)CCCC2)c1 ZINC000439608330 864930493 /nfs/dbraw/zinc/93/04/93/864930493.db2.gz YSUPFOYNTJXNQX-HXUWFJFHSA-N 1 0 405.542 4.432 20 30 HIEDRO CCCc1c(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cnn1-c1cccc(C#N)c1 ZINC000439664283 864992842 /nfs/dbraw/zinc/99/28/42/864992842.db2.gz NPJCGOKSJBAFPK-UHFFFAOYSA-N 1 0 420.561 4.179 20 30 HIEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cccc(C#N)c2)[C@H]2CCCC[C@@H]12 ZINC000439990236 865300281 /nfs/dbraw/zinc/30/02/81/865300281.db2.gz UBWDNLCMDQVCJN-GZEZKRSXSA-N 1 0 424.589 4.071 20 30 HIEDRO COc1cccc([C@@H](CNC(=O)N[C@@H](CCC#N)c2ccccc2)[NH+]2CCCC2)c1 ZINC000440216462 865454434 /nfs/dbraw/zinc/45/44/34/865454434.db2.gz OVTAHXZJXCTKIU-XZOQPEGZSA-N 1 0 406.530 4.176 20 30 HIEDRO N#CC1CCC(CNC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000441003423 866076135 /nfs/dbraw/zinc/07/61/35/866076135.db2.gz NAPYCIWQJXHGDL-UHFFFAOYSA-N 1 0 402.970 4.181 20 30 HIEDRO Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000441380706 866452324 /nfs/dbraw/zinc/45/23/24/866452324.db2.gz RBZUDVNGLGOORX-JTSKRJEESA-N 1 0 421.932 4.383 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2nc3cc(Cl)ccc3[nH]2)CC1 ZINC000441479361 866558094 /nfs/dbraw/zinc/55/80/94/866558094.db2.gz HNKDYMMQVVOKJU-IBGZPJMESA-N 1 0 401.942 4.103 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000442880612 867714503 /nfs/dbraw/zinc/71/45/03/867714503.db2.gz YZODBSYOCGFCFG-MRXNPFEDSA-N 1 0 408.502 4.049 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2-c2ccccc2)CC1 ZINC000443740882 868316842 /nfs/dbraw/zinc/31/68/42/868316842.db2.gz ANUFJTJGEBUBMF-UHFFFAOYSA-N 1 0 411.933 4.102 20 30 HIEDRO N#Cc1ccc(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)cc1C(F)(F)F ZINC000443888162 868426377 /nfs/dbraw/zinc/42/63/77/868426377.db2.gz YELGSEWCIQRROF-UHFFFAOYSA-N 1 0 416.447 4.118 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000443906095 868442424 /nfs/dbraw/zinc/44/24/24/868442424.db2.gz IIAQHDRGRPZGHE-QHCPKHFHSA-N 1 0 424.570 4.005 20 30 HIEDRO N#Cc1cccc(NC(=O)CC[N@@H+](Cc2cc(Br)ccc2F)C2CC2)c1 ZINC000444058074 868597356 /nfs/dbraw/zinc/59/73/56/868597356.db2.gz NHYHVEDEGXAMDN-UHFFFAOYSA-N 1 0 416.294 4.453 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000444170226 868647237 /nfs/dbraw/zinc/64/72/37/868647237.db2.gz LYVLRUBAGUSRBL-SJORKVTESA-N 1 0 402.608 4.022 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCOC4(CCCCC4)C3)sc2C1 ZINC000444190426 868658704 /nfs/dbraw/zinc/65/87/04/868658704.db2.gz GYDFUUPDHAKFET-MRXNPFEDSA-N 1 0 401.576 4.108 20 30 HIEDRO CC1CCC([N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]2CCCO2)CC1 ZINC000444199144 868661632 /nfs/dbraw/zinc/66/16/32/868661632.db2.gz REBHSYQBNPTGBM-ABHNRTSZSA-N 1 0 415.603 4.497 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444205029 868665314 /nfs/dbraw/zinc/66/53/14/868665314.db2.gz KZHLAKPPYQVMBR-ROUUACIJSA-N 1 0 414.619 4.023 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444273491 868709362 /nfs/dbraw/zinc/70/93/62/868709362.db2.gz PWTUMHPRHZAZJT-XXBNENTESA-N 1 0 400.526 4.195 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000444398866 868810524 /nfs/dbraw/zinc/81/05/24/868810524.db2.gz RRFQGJXIJBLVCA-UHFFFAOYSA-N 1 0 419.529 4.145 20 30 HIEDRO N#CC(CC[N@@H+]1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1)(c1ccccc1)c1ccccc1 ZINC000444666761 868946727 /nfs/dbraw/zinc/94/67/27/868946727.db2.gz RZNGQJTVZRZJMJ-BWKNWUBXSA-N 1 0 413.565 4.362 20 30 HIEDRO CC(C)(C#N)CCCC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000444671841 868949797 /nfs/dbraw/zinc/94/97/97/868949797.db2.gz IXVBILVDAYMHRE-IBGZPJMESA-N 1 0 403.368 4.351 20 30 HIEDRO CC1(C)CCC[N@H+](CCNC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000445242064 869297322 /nfs/dbraw/zinc/29/73/22/869297322.db2.gz SGQXPUZHKIPQEH-UHFFFAOYSA-N 1 0 419.529 4.054 20 30 HIEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000445987631 869951505 /nfs/dbraw/zinc/95/15/05/869951505.db2.gz HAVLQTXJSSXLEX-VQTJNVASSA-N 1 0 422.472 4.277 20 30 HIEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC000445992188 869954551 /nfs/dbraw/zinc/95/45/51/869954551.db2.gz JOXNYPKHKHONCZ-ICSRJNTNSA-N 1 0 422.472 4.277 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2ccc(F)c(Cl)c2)C(F)(F)F)CC1 ZINC000446368256 870279429 /nfs/dbraw/zinc/27/94/29/870279429.db2.gz CXPYMWLKZTZYFJ-INIZCTEOSA-N 1 0 407.839 4.422 20 30 HIEDRO CC(C)[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(F)cc1F ZINC000468511482 882512871 /nfs/dbraw/zinc/51/28/71/882512871.db2.gz MLLQCJBOVYFJSJ-QFIPXVFZSA-N 1 0 414.500 4.307 20 30 HIEDRO C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)nc2)C1 ZINC000448182777 872059520 /nfs/dbraw/zinc/05/95/20/872059520.db2.gz YXMOIJDKMYVPRI-HXUWFJFHSA-N 1 0 411.509 4.013 20 30 HIEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)s2)cc1 ZINC000448225640 872137335 /nfs/dbraw/zinc/13/73/35/872137335.db2.gz OGCMCOVIKGPIIS-NQIIRXRSSA-N 1 0 421.570 4.086 20 30 HIEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000460374030 873012327 /nfs/dbraw/zinc/01/23/27/873012327.db2.gz JIGISCZBFGUQBD-SZPZYZBQSA-N 1 0 419.598 4.075 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000460556455 873274852 /nfs/dbraw/zinc/27/48/52/873274852.db2.gz HHGLUNQHNCUREY-LPHOPBHVSA-N 1 0 415.969 4.321 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460572886 873307080 /nfs/dbraw/zinc/30/70/80/873307080.db2.gz CEDNFRNZRPQIGJ-BPBCIEFSSA-N 1 0 409.578 4.051 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460773071 873622473 /nfs/dbraw/zinc/62/24/73/873622473.db2.gz JEXKCICTFDIRFR-MALNDZBISA-N 1 0 421.589 4.162 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460781277 873636884 /nfs/dbraw/zinc/63/68/84/873636884.db2.gz JAYDXMRVMJDRFU-WSTZPKSXSA-N 1 0 415.557 4.300 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000460783560 873640460 /nfs/dbraw/zinc/64/04/60/873640460.db2.gz PDSYNSLMTDTJAX-KSZLIROESA-N 1 0 401.530 4.052 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460801304 873673091 /nfs/dbraw/zinc/67/30/91/873673091.db2.gz WCCFATFSFZJHAT-LQWHRVPQSA-N 1 0 415.557 4.300 20 30 HIEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460961995 873858269 /nfs/dbraw/zinc/85/82/69/873858269.db2.gz VNZGKEUIAAMKML-OAQYLSRUSA-N 1 0 419.573 4.333 20 30 HIEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460962993 873860257 /nfs/dbraw/zinc/86/02/57/873860257.db2.gz MQRSTPKCHWIOLH-PZJWPPBQSA-N 1 0 406.578 4.166 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000468760833 882847380 /nfs/dbraw/zinc/84/73/80/882847380.db2.gz ANGPIRZITGNFQN-WMZHIEFXSA-N 1 0 402.542 4.202 20 30 HIEDRO N#C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000461944488 875077087 /nfs/dbraw/zinc/07/70/87/875077087.db2.gz ASZNGHBHUYGTCN-XUZZJYLKSA-N 1 0 402.542 4.441 20 30 HIEDRO CCCN(CC[NH+](CC)CC)C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000461998216 875118467 /nfs/dbraw/zinc/11/84/67/875118467.db2.gz XNEWYWULVOGGMK-UHFFFAOYSA-N 1 0 400.567 4.012 20 30 HIEDRO Cc1cccn2cc(COc3ccc(C[NH2+]CCOc4ccc(C#N)cc4)cc3)nc12 ZINC000462766044 875827341 /nfs/dbraw/zinc/82/73/41/875827341.db2.gz UCTXAPYZQMKARS-UHFFFAOYSA-N 1 0 412.493 4.262 20 30 HIEDRO CC[NH+](CC)CCOc1ccc(-c2noc([C@H](C)c3cccc(C#N)c3)n2)cc1OC ZINC000462826530 875863331 /nfs/dbraw/zinc/86/33/31/875863331.db2.gz LPKNPPKJVUWZNE-QGZVFWFLSA-N 1 0 420.513 4.489 20 30 HIEDRO N#Cc1cccc(COc2cccc(CNc3cccc(C[N@H+]4CC[C@H](O)C4)c3)c2)c1 ZINC000462851646 875885627 /nfs/dbraw/zinc/88/56/27/875885627.db2.gz DUGXKEPUYAOSII-VWLOTQADSA-N 1 0 413.521 4.316 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)cc1OCCCO)c1cccc(C#N)c1 ZINC000462948526 875968924 /nfs/dbraw/zinc/96/89/24/875968924.db2.gz NXGLQUHZAPVSIE-GJZGRUSLSA-N 1 0 403.320 4.494 20 30 HIEDRO C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000463203726 876264410 /nfs/dbraw/zinc/26/44/10/876264410.db2.gz QKFYPERLRLLBCP-GFRNBQLOSA-N 1 0 417.981 4.238 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)ccc1Cl ZINC000463210640 876269739 /nfs/dbraw/zinc/26/97/39/876269739.db2.gz OIKSLFBBGSDDDH-NNWRFLSQSA-N 1 0 417.981 4.301 20 30 HIEDRO C[C@H]([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Br)cc1OCCCO ZINC000463373830 876430005 /nfs/dbraw/zinc/43/00/05/876430005.db2.gz XZNMHWRWRRODNS-ZDUSSCGKSA-N 1 0 407.283 4.072 20 30 HIEDRO OC[C@@]1(Cc2ccccc2)CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000463456498 876517736 /nfs/dbraw/zinc/51/77/36/876517736.db2.gz RXXIYRSCELAHOE-JOCHJYFZSA-N 1 0 403.444 4.254 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000463774986 876895613 /nfs/dbraw/zinc/89/56/13/876895613.db2.gz KDAPOQIOJXWRHE-IERDGZPVSA-N 1 0 400.544 4.134 20 30 HIEDRO C[C@@H]1C[C@H](CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)C[N@@H+]1Cc1ccccc1 ZINC000469018609 883086650 /nfs/dbraw/zinc/08/66/50/883086650.db2.gz OAXGOLKZQCWNAJ-NQIIRXRSSA-N 1 0 414.509 4.244 20 30 HIEDRO C=C(C)C[C@H](C)C(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000464648567 877868935 /nfs/dbraw/zinc/86/89/35/877868935.db2.gz FYNUVOQHRIQBLA-SFHVURJKSA-N 1 0 411.512 4.326 20 30 HIEDRO C[C@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000464895322 878199398 /nfs/dbraw/zinc/19/93/98/878199398.db2.gz QUDGDQHNJBZYRC-NRFANRHFSA-N 1 0 405.542 4.230 20 30 HIEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccn2)cc1 ZINC000464973797 878315560 /nfs/dbraw/zinc/31/55/60/878315560.db2.gz OZVPXVNMACRXFX-UHFFFAOYSA-N 1 0 414.509 4.258 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)Cc1cc(Br)cs1)C(C)C ZINC000503408446 912388344 /nfs/dbraw/zinc/38/83/44/912388344.db2.gz HXKLJLMNEHASBC-QGZVFWFLSA-N 1 0 414.413 4.351 20 30 HIEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C1 ZINC000465400403 878836673 /nfs/dbraw/zinc/83/66/73/878836673.db2.gz WUGLLVMEZGSNTB-HSZRJFAPSA-N 1 0 422.548 4.387 20 30 HIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000465445585 878876063 /nfs/dbraw/zinc/87/60/63/878876063.db2.gz XOZINBCBGKCNDV-ZEQRLZLVSA-N 1 0 402.542 4.132 20 30 HIEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000503413092 912398320 /nfs/dbraw/zinc/39/83/20/912398320.db2.gz RVODMEGUQCPVOR-SFHVURJKSA-N 1 0 403.448 4.349 20 30 HIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000465583756 879062800 /nfs/dbraw/zinc/06/28/00/879062800.db2.gz WGIPZJXLQIYNRB-DQEYMECFSA-N 1 0 416.569 4.175 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000465589779 879072136 /nfs/dbraw/zinc/07/21/36/879072136.db2.gz DHNCWWYPGVRWGW-TZRRMPRUSA-N 1 0 402.542 4.305 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000465801748 879413410 /nfs/dbraw/zinc/41/34/10/879413410.db2.gz AETCJLKJFFEGIL-DHIUTWEWSA-N 1 0 422.598 4.441 20 30 HIEDRO Cc1ccc([C@H](CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)[NH+]2CCCC2)o1 ZINC000465807837 879424750 /nfs/dbraw/zinc/42/47/50/879424750.db2.gz REJDHOLUXBXRLY-FSSWDIPSSA-N 1 0 406.530 4.206 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000465887067 879541838 /nfs/dbraw/zinc/54/18/38/879541838.db2.gz GUHYWLLQFXZPMH-GPXOXTDOSA-N 1 0 416.569 4.032 20 30 HIEDRO N#Cc1ccc(F)c(CNC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)c1 ZINC000465889833 879545439 /nfs/dbraw/zinc/54/54/39/879545439.db2.gz JAHNSMZQVISERI-FQEVSTJZSA-N 1 0 414.912 4.205 20 30 HIEDRO C[C@@H](c1ccc(NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1)N1CCOCC1 ZINC000503499426 912544853 /nfs/dbraw/zinc/54/48/53/912544853.db2.gz TZCCNMDWHLOEIZ-IBGZPJMESA-N 1 0 416.525 4.273 20 30 HIEDRO CCN(C(=O)Nc1ncccc1OCCCC#N)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000466606373 880375891 /nfs/dbraw/zinc/37/58/91/880375891.db2.gz HMLHVFPQEWVKCV-PZJWPPBQSA-N 1 0 421.545 4.453 20 30 HIEDRO C[C@H]1C[C@H](N(C)C(=O)Nc2ncccc2OCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000466606958 880375950 /nfs/dbraw/zinc/37/59/50/880375950.db2.gz KMWACVAQGRUPRZ-PZJWPPBQSA-N 1 0 421.545 4.281 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CO)Cc2ccc(C)cc2)cc1OC ZINC000466918787 880687364 /nfs/dbraw/zinc/68/73/64/880687364.db2.gz SGERPYOBPYLKBI-GOSISDBHSA-N 1 0 420.347 4.024 20 30 HIEDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(CCC(=O)Nc1sc3c(c1C#N)CC[C@@H](C)C3)CC2 ZINC000467209586 880939669 /nfs/dbraw/zinc/93/96/69/880939669.db2.gz XPLQJVGCSLKPSH-KURKYZTESA-N 1 0 414.619 4.020 20 30 HIEDRO COCC[C@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000467281124 881027247 /nfs/dbraw/zinc/02/72/47/881027247.db2.gz UERBTQLTCZSPIM-IAGOWNOFSA-N 1 0 403.592 4.354 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+]CC2(c3ccccc3)CCOCC2)c1 ZINC000467406654 881192653 /nfs/dbraw/zinc/19/26/53/881192653.db2.gz URKPZXRDCDVSAR-QFIPXVFZSA-N 1 0 419.569 4.277 20 30 HIEDRO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000467508154 881322047 /nfs/dbraw/zinc/32/20/47/881322047.db2.gz OIHZUFRMGNNVOI-INIZCTEOSA-N 1 0 411.571 4.486 20 30 HIEDRO C[C@@H]1CN(Cc2cccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)c2)C[C@H](C)O1 ZINC000469163803 883261357 /nfs/dbraw/zinc/26/13/57/883261357.db2.gz VTQCVWXNRCXFNU-CALCHBBNSA-N 1 0 416.481 4.075 20 30 HIEDRO C[C@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C(C)(C)C[NH+](C)C ZINC000469697154 883876535 /nfs/dbraw/zinc/87/65/35/883876535.db2.gz DWPMTVCQSOGFIN-INIZCTEOSA-N 1 0 412.509 4.374 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1cc(F)c(F)c(F)c1F)c1cccc(C(F)(F)F)c1 ZINC000469756269 883920269 /nfs/dbraw/zinc/92/02/69/883920269.db2.gz GFBKBECONCKLTF-CYBMUJFWSA-N 1 0 408.317 4.295 20 30 HIEDRO C=CC[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000469899780 884088871 /nfs/dbraw/zinc/08/88/71/884088871.db2.gz UCHVXQFWMKKGQG-QGZVFWFLSA-N 1 0 405.502 4.057 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccc(OC(F)(F)F)c1 ZINC000470005609 884222029 /nfs/dbraw/zinc/22/20/29/884222029.db2.gz ZUUZEKKTUODZNK-UHFFFAOYSA-N 1 0 423.460 4.468 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000470052606 884300083 /nfs/dbraw/zinc/30/00/83/884300083.db2.gz BZOUIAGCMKADAG-KRWDZBQOSA-N 1 0 412.361 4.197 20 30 HIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000503778006 912822319 /nfs/dbraw/zinc/82/23/19/912822319.db2.gz NORGDXPZJYAMHM-UHFFFAOYSA-N 1 0 408.546 4.009 20 30 HIEDRO C=CCOCCC[NH+]1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000470765048 885231620 /nfs/dbraw/zinc/23/16/20/885231620.db2.gz JOFSNUBREFSBEX-MRXNPFEDSA-N 1 0 424.467 4.027 20 30 HIEDRO CN(c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470871771 885359505 /nfs/dbraw/zinc/35/95/05/885359505.db2.gz GBWHEKNIZIUHBM-FQEVSTJZSA-N 1 0 401.470 4.115 20 30 HIEDRO CCC[N@H+](C)C[C@@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000471030989 885537191 /nfs/dbraw/zinc/53/71/91/885537191.db2.gz GGKHYADWGKAPCG-FQEVSTJZSA-N 1 0 413.610 4.084 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(Oc4ccccn4)CC3)sc2C1 ZINC000471162848 885717510 /nfs/dbraw/zinc/71/75/10/885717510.db2.gz RJMCGCKONKHKHR-INIZCTEOSA-N 1 0 424.570 4.012 20 30 HIEDRO C[NH+](C)CC1CCN(c2ccccc2NC(=O)c2cccc(SCC#N)c2)CC1 ZINC000471191382 885759469 /nfs/dbraw/zinc/75/94/69/885759469.db2.gz PTTAKAYOSUHAFG-UHFFFAOYSA-N 1 0 408.571 4.333 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)CC2)cc1 ZINC000504086608 912995974 /nfs/dbraw/zinc/99/59/74/912995974.db2.gz KKDPHBWAKYNMLJ-UHFFFAOYSA-N 1 0 400.526 4.153 20 30 HIEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)cc2)C1 ZINC000471748377 886476732 /nfs/dbraw/zinc/47/67/32/886476732.db2.gz JNNNGSXKMTXFIH-DFIYOIEZSA-N 1 0 414.553 4.035 20 30 HIEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)c1 ZINC000472265095 887079787 /nfs/dbraw/zinc/07/97/87/887079787.db2.gz XJTVFTLJFXBHNJ-HHHXNRCGSA-N 1 0 409.533 4.500 20 30 HIEDRO CN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000472722891 887570977 /nfs/dbraw/zinc/57/09/77/887570977.db2.gz GILHPDJXLMDLLO-SFHVURJKSA-N 1 0 414.456 4.288 20 30 HIEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 ZINC000472753844 887599122 /nfs/dbraw/zinc/59/91/22/887599122.db2.gz QAEJAMMYNYYWRU-MSOLQXFVSA-N 1 0 404.580 4.045 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2nc(C)c(-c3ccc(Cl)cc3)o2)CC1 ZINC000473669234 888427045 /nfs/dbraw/zinc/42/70/45/888427045.db2.gz GZTNAAOOTXDAJM-UHFFFAOYSA-N 1 0 402.926 4.143 20 30 HIEDRO CC[NH+]1CCN(c2cccc(NC(=O)N(Cc3ccc(C#N)cc3)C(C)C)c2)CC1 ZINC000473818502 888647376 /nfs/dbraw/zinc/64/73/76/888647376.db2.gz OCSGURMUAAPWIC-UHFFFAOYSA-N 1 0 405.546 4.143 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N2CCSC[C@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000473937726 888815673 /nfs/dbraw/zinc/81/56/73/888815673.db2.gz CUOOUOTWXRNRHX-SFHVURJKSA-N 1 0 413.509 4.155 20 30 HIEDRO Cc1cccc(N2CC[NH+](CCCCNC(=O)C[C@H](CC#N)c3ccccc3)CC2)c1 ZINC000474780305 889638647 /nfs/dbraw/zinc/63/86/47/889638647.db2.gz KRUFXDCIFZSSQY-DEOSSOPVSA-N 1 0 418.585 4.101 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3c(F)cccc3Br)CC2)nc1 ZINC000474889581 889747522 /nfs/dbraw/zinc/74/75/22/889747522.db2.gz XGLXIDIKVVSJHW-UHFFFAOYSA-N 1 0 404.283 4.335 20 30 HIEDRO CC[NH+]1CCN(c2cccc(NCc3ccc(OC)c(OCCCC#N)c3)c2)CC1 ZINC000475090317 889937431 /nfs/dbraw/zinc/93/74/31/889937431.db2.gz PBRDKUKIGCLCRW-UHFFFAOYSA-N 1 0 408.546 4.132 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000475373648 890303538 /nfs/dbraw/zinc/30/35/38/890303538.db2.gz YLPPSOSEZSEXCM-UHFFFAOYSA-N 1 0 424.358 4.303 20 30 HIEDRO CC(C)OCC[NH+]1CCC(NC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000475615958 890546956 /nfs/dbraw/zinc/54/69/56/890546956.db2.gz DKDBRNNCFPOYEG-UHFFFAOYSA-N 1 0 422.529 4.361 20 30 HIEDRO N#Cc1ccc(-c2nnc(CN3CC[C@@]4(C3)CCC[N@H+](Cc3ccccc3)C4)o2)cc1 ZINC000475736634 890677037 /nfs/dbraw/zinc/67/70/37/890677037.db2.gz XPHHRAHUJGMLQS-VWLOTQADSA-N 1 0 413.525 4.096 20 30 HIEDRO N#CC[C@H](CC(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000476428246 891341377 /nfs/dbraw/zinc/34/13/77/891341377.db2.gz NYEWVIRVMISBMY-PKTZIBPZSA-N 1 0 413.525 4.356 20 30 HIEDRO CC(C)(C#N)c1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000476431057 891341922 /nfs/dbraw/zinc/34/19/22/891341922.db2.gz RTKNDTKRTUTVMS-QFIPXVFZSA-N 1 0 413.525 4.384 20 30 HIEDRO C=C(C)[C@H](NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1)c1ccc(F)c(F)c1 ZINC000476949021 891886201 /nfs/dbraw/zinc/88/62/01/891886201.db2.gz GXMYCSOYLQBIGE-QFIPXVFZSA-N 1 0 417.500 4.412 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)Cc2ccc(Br)cc2Cl)CC1 ZINC000478634907 893887280 /nfs/dbraw/zinc/88/72/80/893887280.db2.gz PQAQTXCIMJKCGU-UHFFFAOYSA-N 1 0 414.775 4.284 20 30 HIEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NC2(c3cccc(C#N)c3)CC2)C1 ZINC000478838748 894117623 /nfs/dbraw/zinc/11/76/23/894117623.db2.gz SXQIFHDDVIFSRO-LJQANCHMSA-N 1 0 402.542 4.279 20 30 HIEDRO N#CC1(NC(=O)COc2ccc(Cl)cc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000479216279 894480928 /nfs/dbraw/zinc/48/09/28/894480928.db2.gz MUOHYIMVZMNMBX-UHFFFAOYSA-N 1 0 418.324 4.047 20 30 HIEDRO N#CC1(NC(=O)CCOc2ccc3ccccc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479242875 894506800 /nfs/dbraw/zinc/50/68/00/894506800.db2.gz LHRHKRDGAXPDPB-UHFFFAOYSA-N 1 0 413.521 4.283 20 30 HIEDRO CC(C)(C)c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000479275469 894550516 /nfs/dbraw/zinc/55/05/16/894550516.db2.gz FTCGIGUXKZIDBB-UHFFFAOYSA-N 1 0 420.513 4.180 20 30 HIEDRO N#CC1(NC(=O)c2cc(F)c(Cl)cc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000479287703 894568743 /nfs/dbraw/zinc/56/87/43/894568743.db2.gz PLXKYRMKGVFPHN-UHFFFAOYSA-N 1 0 406.288 4.421 20 30 HIEDRO Cc1nc(-c2ccsc2)ccc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479293812 894575701 /nfs/dbraw/zinc/57/57/01/894575701.db2.gz XSTWNECCYHRTJQ-UHFFFAOYSA-N 1 0 416.550 4.407 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Br)ccc2N2CCCC2)CC1 ZINC000479324718 894614555 /nfs/dbraw/zinc/61/45/55/894614555.db2.gz SCSWKSZKQSBUHO-UHFFFAOYSA-N 1 0 421.383 4.211 20 30 HIEDRO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc(Sc4ccccc4C#N)cc3)CC2)CCO1 ZINC000479524461 894833654 /nfs/dbraw/zinc/83/36/54/894833654.db2.gz HTBKLRLPWLBHLV-GOSISDBHSA-N 1 0 421.566 4.035 20 30 HIEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 ZINC000480012196 895363067 /nfs/dbraw/zinc/36/30/67/895363067.db2.gz HTRPDUFMRUNJGB-OAQYLSRUSA-N 1 0 423.582 4.282 20 30 HIEDRO Cc1ccc2c(ncc(C#N)c2N2CC[C@H](C3CC[NH+](C)CC3)C2)c1Br ZINC000480064636 895413602 /nfs/dbraw/zinc/41/36/02/895413602.db2.gz BAUVFQHLKRRQGI-INIZCTEOSA-N 1 0 413.363 4.346 20 30 HIEDRO COc1ccc(C(C)(C)C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC000480072845 895424770 /nfs/dbraw/zinc/42/47/70/895424770.db2.gz QOBIQUJNYQDVFC-UHFFFAOYSA-N 1 0 404.514 4.043 20 30 HIEDRO CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000480097625 895462561 /nfs/dbraw/zinc/46/25/61/895462561.db2.gz MSONOMVVYFVCPA-DHIUTWEWSA-N 1 0 413.525 4.341 20 30 HIEDRO Cc1ccccc1OCCCC(=O)Nc1ccc(C[NH2+]Cc2cc(C#N)n(C)c2)cc1 ZINC000480635875 896005931 /nfs/dbraw/zinc/00/59/31/896005931.db2.gz LVXZJEFTSJWZMR-UHFFFAOYSA-N 1 0 416.525 4.293 20 30 HIEDRO C=C(C)[C@H]([NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(F)c(F)c1 ZINC000480701474 896062489 /nfs/dbraw/zinc/06/24/89/896062489.db2.gz UMYMUBVZBLGOBE-QFIPXVFZSA-N 1 0 420.525 4.333 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000481123313 896449523 /nfs/dbraw/zinc/44/95/23/896449523.db2.gz XFNZRJJMZTVBAT-QHCPKHFHSA-N 1 0 409.578 4.216 20 30 HIEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000481180437 896517042 /nfs/dbraw/zinc/51/70/42/896517042.db2.gz LWRPQFKEAHBJNL-OFNKIYASSA-N 1 0 413.525 4.074 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000481183393 896526792 /nfs/dbraw/zinc/52/67/92/896526792.db2.gz RUFXQZWZXVREOV-QTEQDKRBSA-N 1 0 411.615 4.151 20 30 HIEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000481240323 896590381 /nfs/dbraw/zinc/59/03/81/896590381.db2.gz HPJMHMBBPHXOBK-UHFFFAOYSA-N 1 0 409.555 4.212 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000481523076 896887421 /nfs/dbraw/zinc/88/74/21/896887421.db2.gz YBQRLPPZNBSVCG-LOSJGSFVSA-N 1 0 418.585 4.433 20 30 HIEDRO C=C(C)[C@@H]([NH2+]CCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000481606164 896986352 /nfs/dbraw/zinc/98/63/52/896986352.db2.gz GGHBONHAIDAJMK-HXUWFJFHSA-N 1 0 405.401 4.117 20 30 HIEDRO CC(C)[NH+]1CCC(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000481632347 897017991 /nfs/dbraw/zinc/01/79/91/897017991.db2.gz ZLTAKIALPIILNH-UHFFFAOYSA-N 1 0 410.493 4.271 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H](O)COc1ccccc1Br ZINC000481680067 897063597 /nfs/dbraw/zinc/06/35/97/897063597.db2.gz WVIFVGOMHHDDAP-PXNSSMCTSA-N 1 0 415.331 4.118 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000481710669 897100701 /nfs/dbraw/zinc/10/07/01/897100701.db2.gz GTZHJAIFXWAILR-UHFFFAOYSA-N 1 0 408.399 4.312 20 30 HIEDRO Cc1oc(NC(=O)C[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)c(C#N)c1C ZINC000481718944 897114318 /nfs/dbraw/zinc/11/43/18/897114318.db2.gz RKEVKHXAUQKCNJ-GOSISDBHSA-N 1 0 420.282 4.349 20 30 HIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@H]2CCCO[C@H]2CC(C)C)c1C#N ZINC000481737168 897131271 /nfs/dbraw/zinc/13/12/71/897131271.db2.gz OMHBPSWLCQVLCV-GOTSBHOMSA-N 1 0 422.573 4.147 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(-n3cc(C(F)(F)F)cn3)c2)CC1 ZINC000481945455 897332925 /nfs/dbraw/zinc/33/29/25/897332925.db2.gz UCPIDBSBFIEMEJ-UHFFFAOYSA-N 1 0 407.440 4.053 20 30 HIEDRO C[NH+](C)CCCOC1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)CC1 ZINC000481992794 897387730 /nfs/dbraw/zinc/38/77/30/897387730.db2.gz MNIJNZYZZBEGOI-UHFFFAOYSA-N 1 0 423.582 4.282 20 30 HIEDRO C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000482262464 897747413 /nfs/dbraw/zinc/74/74/13/897747413.db2.gz CKDOMNFFAFUTPY-WUMKDDEVSA-N 1 0 402.542 4.315 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](C1CCCCC1)C(F)(F)F ZINC000482288324 897783193 /nfs/dbraw/zinc/78/31/93/897783193.db2.gz KLMJMQSXAAWPQF-IBGZPJMESA-N 1 0 410.484 4.143 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2OC(F)F)C(F)(F)F)CC1 ZINC000482375683 897901365 /nfs/dbraw/zinc/90/13/65/897901365.db2.gz BKYFKYAZMZRMIU-INIZCTEOSA-N 1 0 421.410 4.231 20 30 HIEDRO CCCc1c(NC(=O)N(CC)CC[NH+]2CCCCCC2)cnn1-c1cccc(C#N)c1 ZINC000482396157 897930488 /nfs/dbraw/zinc/93/04/88/897930488.db2.gz RRSAPRUWGDCPIX-UHFFFAOYSA-N 1 0 422.577 4.426 20 30 HIEDRO CC1(C)C[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C[C@@]2(CCCOC2)O1 ZINC000482446206 898010990 /nfs/dbraw/zinc/01/09/90/898010990.db2.gz CJKBQJYRDUPJRV-RUZDIDTESA-N 1 0 406.526 4.297 20 30 HIEDRO Cc1nc2ccccc2n1C1CC[NH+]([C@H](C)C(=O)N(CCC#N)c2ccccc2)CC1 ZINC000482875719 898488452 /nfs/dbraw/zinc/48/84/52/898488452.db2.gz MPYPAJCDGZWATL-LJQANCHMSA-N 1 0 415.541 4.317 20 30 HIEDRO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000482874697 898488594 /nfs/dbraw/zinc/48/85/94/898488594.db2.gz JLJNWCILVFMQOA-CKUXNOBLSA-N 1 0 406.549 4.166 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2nc(-c3cc4ccccc4o3)cs2)CC1 ZINC000483024477 898684070 /nfs/dbraw/zinc/68/40/70/898684070.db2.gz SWTPBJORLWOCHA-UHFFFAOYSA-N 1 0 410.543 4.396 20 30 HIEDRO CCCC[C@](C)([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(Br)c1 ZINC000483088246 898774299 /nfs/dbraw/zinc/77/42/99/898774299.db2.gz KNCYZGXTIOPNMI-PMACEKPBSA-N 1 0 406.368 4.253 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000483356771 898993421 /nfs/dbraw/zinc/99/34/21/898993421.db2.gz KCWTYNIWAUCLKH-ZJSXRUAMSA-N 1 0 418.541 4.394 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000505620117 914320989 /nfs/dbraw/zinc/32/09/89/914320989.db2.gz JVSQDVGLNWUBAK-JOCHJYFZSA-N 1 0 419.569 4.114 20 30 HIEDRO C=CCN(CC1CCCCC1)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000483707922 899363038 /nfs/dbraw/zinc/36/30/38/899363038.db2.gz XJVBGFHUAHRNBU-IBGZPJMESA-N 1 0 416.585 4.416 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)cc1F ZINC000483714042 899371229 /nfs/dbraw/zinc/37/12/29/899371229.db2.gz NQBYSJIYRGIRLQ-LJQANCHMSA-N 1 0 403.461 4.052 20 30 HIEDRO CSc1cccc(N(C(=O)CSc2ccc(C#N)cc2)C2CC[NH+](C)CC2)c1 ZINC000484402352 899927931 /nfs/dbraw/zinc/92/79/31/899927931.db2.gz KCQCPQHPVGOWPS-UHFFFAOYSA-N 1 0 411.596 4.500 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2n2cccn2)c1C#N ZINC000484645972 900091202 /nfs/dbraw/zinc/09/12/02/900091202.db2.gz WUNPSPUXPDGOHB-FGZHOGPDSA-N 1 0 422.577 4.390 20 30 HIEDRO COc1cccc([C@H](CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[NH+](C)C)c1 ZINC000484932432 900303815 /nfs/dbraw/zinc/30/38/15/900303815.db2.gz GYORNHOWWXMEKC-DEOSSOPVSA-N 1 0 415.493 4.392 20 30 HIEDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OCC ZINC000485235959 900520605 /nfs/dbraw/zinc/52/06/05/900520605.db2.gz WXKBLBHOABMCPU-UWJYYQICSA-N 1 0 407.514 4.202 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c(C#N)c1C ZINC000485335666 900621910 /nfs/dbraw/zinc/62/19/10/900621910.db2.gz PEIFGSGUKKZMTB-ZEYPLWLESA-N 1 0 420.557 4.082 20 30 HIEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000485417307 900715602 /nfs/dbraw/zinc/71/56/02/900715602.db2.gz CJDJOWDLQOWMJO-FQEVSTJZSA-N 1 0 406.530 4.137 20 30 HIEDRO CC[C@@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1cc(F)cc(Br)c1 ZINC000485822811 901069485 /nfs/dbraw/zinc/06/94/85/901069485.db2.gz NLVBUUBCYKBLMI-MRXNPFEDSA-N 1 0 408.271 4.349 20 30 HIEDRO CC[C@@H]([NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)c1cc(F)cc(Br)c1 ZINC000485827052 901072906 /nfs/dbraw/zinc/07/29/06/901072906.db2.gz YVSXPTVXVPIIPF-CXAGYDPISA-N 1 0 410.331 4.360 20 30 HIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(F)c(-c4cccs4)c3)C2=O)cc1 ZINC000486874840 901919869 /nfs/dbraw/zinc/91/98/69/901919869.db2.gz YZOCYZOPWPLOKI-NRFANRHFSA-N 1 0 405.498 4.317 20 30 HIEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H](CCCC#N)c3ccccc3)cc2)CC1 ZINC000487186430 902090853 /nfs/dbraw/zinc/09/08/53/902090853.db2.gz PAAZNDLDPFWSOV-XMMPIXPASA-N 1 0 404.558 4.382 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000487400653 902184782 /nfs/dbraw/zinc/18/47/82/902184782.db2.gz DVPRRVCRSXCDNH-LPHOPBHVSA-N 1 0 420.582 4.193 20 30 HIEDRO Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H](CCCC#N)c3ccccc3)CC2)c1 ZINC000487567729 902244185 /nfs/dbraw/zinc/24/41/85/902244185.db2.gz FCFOZNUBCOGBCG-DEOSSOPVSA-N 1 0 404.558 4.059 20 30 HIEDRO CN(C(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487936952 902467953 /nfs/dbraw/zinc/46/79/53/902467953.db2.gz UTYVREIJMRQLHW-GOSISDBHSA-N 1 0 413.319 4.059 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(Oc2cccnc2)cc1 ZINC000487960459 902485791 /nfs/dbraw/zinc/48/57/91/902485791.db2.gz USIQEZMNOHYSGA-YWZLYKJASA-N 1 0 404.495 4.263 20 30 HIEDRO C[C@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000487965063 902490684 /nfs/dbraw/zinc/49/06/84/902490684.db2.gz DEWKCNUJAPMQMF-DZGCQCFKSA-N 1 0 405.340 4.095 20 30 HIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCCc4c(Br)cccc43)C2=O)cc1 ZINC000488456155 902832792 /nfs/dbraw/zinc/83/27/92/902832792.db2.gz GBZVTUAHWUXMEP-LEWJYISDSA-N 1 0 424.342 4.089 20 30 HIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCc4c3ccc(Cl)c4Cl)C2=O)cc1 ZINC000488464566 902838748 /nfs/dbraw/zinc/83/87/48/902838748.db2.gz JYXJCLSGTNFQQG-RBUKOAKNSA-N 1 0 400.309 4.243 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000488509068 902862835 /nfs/dbraw/zinc/86/28/35/902862835.db2.gz UUIVINCBGOAXMQ-HYBUGGRVSA-N 1 0 405.542 4.134 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000488998071 903112014 /nfs/dbraw/zinc/11/20/14/903112014.db2.gz BDCNLAJAOFPORK-UHFFFAOYSA-N 1 0 406.511 4.202 20 30 HIEDRO C=CC[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1)c1ccccc1 ZINC000489015852 903122418 /nfs/dbraw/zinc/12/24/18/903122418.db2.gz PZQCVCUWNSEZBZ-DHIUTWEWSA-N 1 0 405.542 4.151 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCSCc1ccccc1C#N ZINC000489397609 903365924 /nfs/dbraw/zinc/36/59/24/903365924.db2.gz RVAGLWOXPQDGFO-WMZHIEFXSA-N 1 0 422.598 4.001 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000489817291 903611816 /nfs/dbraw/zinc/61/18/16/903611816.db2.gz GEXCRYCXTKXVEN-GATIMQMVSA-N 1 0 416.569 4.378 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489851796 903631097 /nfs/dbraw/zinc/63/10/97/903631097.db2.gz IFPHKTKSFUYXRF-WMZHIEFXSA-N 1 0 422.529 4.203 20 30 HIEDRO Cn1cc(CN2CCC[N@H+](CCCc3ccccc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491856475 904712406 /nfs/dbraw/zinc/71/24/06/904712406.db2.gz FHXBREREZYIDOL-UHFFFAOYSA-N 1 0 413.569 4.099 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000492076874 904790541 /nfs/dbraw/zinc/79/05/41/904790541.db2.gz BHLCEMWRDMSYED-REWPJTCUSA-N 1 0 404.514 4.004 20 30 HIEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cnn(-c2ccncc2)c1C(F)F ZINC000492227721 904819933 /nfs/dbraw/zinc/81/99/33/904819933.db2.gz RWNAVAKVNCPVOI-UHFFFAOYSA-N 1 0 415.403 4.252 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000492402530 904845370 /nfs/dbraw/zinc/84/53/70/904845370.db2.gz SQINCTJMXCOZAS-HSZRJFAPSA-N 1 0 423.605 4.116 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000493444533 905125987 /nfs/dbraw/zinc/12/59/87/905125987.db2.gz WCKYUFLDVQKKEQ-NNWRFLSQSA-N 1 0 405.542 4.331 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)c1C#N ZINC000512419751 921148564 /nfs/dbraw/zinc/14/85/64/921148564.db2.gz BWZGPUUPBLGEGA-OXJNMPFZSA-N 1 0 400.567 4.046 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000494398616 905692369 /nfs/dbraw/zinc/69/23/69/905692369.db2.gz QOFPIQRXEPTHKY-UHFFFAOYSA-N 1 0 406.917 4.411 20 30 HIEDRO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@@H+]1CCC[C@H]1C1CCCC1)CCCC2 ZINC000494791610 905995070 /nfs/dbraw/zinc/99/50/70/905995070.db2.gz FJLRODNIYZBLSF-KNQAVFIVSA-N 1 0 424.589 4.011 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)s1 ZINC000512564740 921239804 /nfs/dbraw/zinc/23/98/04/921239804.db2.gz MEVNODOJRLFBRQ-UHFFFAOYSA-N 1 0 404.333 4.233 20 30 HIEDRO CC1CC[NH+](CCc2cccc(NC(=O)c3cnc(C(F)(F)F)c(C#N)c3)c2)CC1 ZINC000496879890 906772028 /nfs/dbraw/zinc/77/20/28/906772028.db2.gz GKRUPCNDGVTAHT-UHFFFAOYSA-N 1 0 416.447 4.499 20 30 HIEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[NH+]1CCC(COc2ccccc2)CC1 ZINC000496885018 906776226 /nfs/dbraw/zinc/77/62/26/906776226.db2.gz VTYJVLNVIXQXQK-LJQANCHMSA-N 1 0 409.505 4.252 20 30 HIEDRO Cn1cc(C[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000497229168 906822306 /nfs/dbraw/zinc/82/23/06/906822306.db2.gz MTDBOURMZXOUOQ-UHFFFAOYSA-N 1 0 414.435 4.011 20 30 HIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccccc3OCC(F)(F)F)CC2)c1 ZINC000512648611 921274226 /nfs/dbraw/zinc/27/42/26/921274226.db2.gz PBMDFEWGPIUOKF-UHFFFAOYSA-N 1 0 417.431 4.350 20 30 HIEDRO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497593793 907074124 /nfs/dbraw/zinc/07/41/24/907074124.db2.gz JTOKKQIOJJIRNY-XMSQKQJNSA-N 1 0 421.541 4.322 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000512710878 921294105 /nfs/dbraw/zinc/29/41/05/921294105.db2.gz BAUBCICPQNGDDQ-TZIWHRDSSA-N 1 0 424.589 4.275 20 30 HIEDRO Cc1nc(-c2cccs2)ccc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000497879579 907354133 /nfs/dbraw/zinc/35/41/33/907354133.db2.gz BHZYSJDEAAAVNS-UHFFFAOYSA-N 1 0 404.539 4.194 20 30 HIEDRO N#CC1(NC(=O)c2cc(Cl)c(F)cc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000498222774 907753730 /nfs/dbraw/zinc/75/37/30/907753730.db2.gz XTKXJGWWTUPTKY-UHFFFAOYSA-N 1 0 406.288 4.421 20 30 HIEDRO C=CCOc1cccc(NC(=O)N[C@@H]2CC[N@H+](C3CC3)[C@@H]2c2cccc(OC)c2)c1 ZINC000498392757 907876986 /nfs/dbraw/zinc/87/69/86/907876986.db2.gz UNAOMRXUCKNFPU-DHIUTWEWSA-N 1 0 407.514 4.360 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)ccc1OC ZINC000512874532 921372879 /nfs/dbraw/zinc/37/28/79/921372879.db2.gz PSUALSWBQHNXPW-NRFANRHFSA-N 1 0 420.347 4.410 20 30 HIEDRO N#CC1(F)CCN(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000498595119 908045553 /nfs/dbraw/zinc/04/55/53/908045553.db2.gz ICRNCCVEFQLJOL-UHFFFAOYSA-N 1 0 408.521 4.116 20 30 HIEDRO Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CCC(C)(C#N)CC2)c1 ZINC000498644980 908084596 /nfs/dbraw/zinc/08/45/96/908084596.db2.gz VCYWVPQAJSOABU-RPWUZVMVSA-N 1 0 401.554 4.363 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498706267 908130590 /nfs/dbraw/zinc/13/05/90/908130590.db2.gz RAEPGWNOTDGEQU-OFNKIYASSA-N 1 0 407.558 4.303 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498706268 908131407 /nfs/dbraw/zinc/13/14/07/908131407.db2.gz RAEPGWNOTDGEQU-REWPJTCUSA-N 1 0 407.558 4.303 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccc(F)cc1 ZINC000498731804 908160338 /nfs/dbraw/zinc/16/03/38/908160338.db2.gz ACTDZRQHHISKJE-DEOSSOPVSA-N 1 0 417.484 4.309 20 30 HIEDRO C=CCN1CC[C@H]([NH2+][C@H](C)c2sc(-c3ccccc3Br)nc2C)C1=O ZINC000499625958 908859683 /nfs/dbraw/zinc/85/96/83/908859683.db2.gz NDYIYWPYHRRWES-WBMJQRKESA-N 1 0 420.376 4.319 20 30 HIEDRO CC(C)N1C(=O)C[C@H]([NH2+]CCCC2(C#N)CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000499718332 908887937 /nfs/dbraw/zinc/88/79/37/908887937.db2.gz KALVBIPOYLJQNV-FPOVZHCZSA-N 1 0 421.944 4.220 20 30 HIEDRO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1=O ZINC000513037534 921496718 /nfs/dbraw/zinc/49/67/18/921496718.db2.gz SJQHLMOCMUXYAD-QGZVFWFLSA-N 1 0 418.360 4.284 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCN(c4ccc(F)cc4F)CC3)C2)c(F)c1 ZINC000513056932 921514320 /nfs/dbraw/zinc/51/43/20/921514320.db2.gz JOIBDFJHLVOKAH-IBGZPJMESA-N 1 0 414.475 4.203 20 30 HIEDRO C=CCc1cc(C[NH2+]C[C@@H](c2ccc(OC)cc2)N2CCCCC2)cc(OC)c1O ZINC000500268902 909750907 /nfs/dbraw/zinc/75/09/07/909750907.db2.gz YDXGPSCUEMQLAC-QHCPKHFHSA-N 1 0 410.558 4.455 20 30 HIEDRO Cn1nccc1[C@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000500428793 909851321 /nfs/dbraw/zinc/85/13/21/909851321.db2.gz QRILXXAEBVJNKY-LJQANCHMSA-N 1 0 411.575 4.178 20 30 HIEDRO COc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)cc1OCCCC#N ZINC000513088568 921539833 /nfs/dbraw/zinc/53/98/33/921539833.db2.gz ILGIHUWCICYSCX-JOCHJYFZSA-N 1 0 421.541 4.162 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](Oc2ccc(F)cc2Cl)c2ccccc2)CC1 ZINC000500748973 910058431 /nfs/dbraw/zinc/05/84/31/910058431.db2.gz PMMNDFAKEKEKQX-NRFANRHFSA-N 1 0 402.897 4.366 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)CC1 ZINC000500748391 910059147 /nfs/dbraw/zinc/05/91/47/910059147.db2.gz GUBSWHCDNKZFNW-UHFFFAOYSA-N 1 0 411.493 4.404 20 30 HIEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)n1 ZINC000513103275 921551628 /nfs/dbraw/zinc/55/16/28/921551628.db2.gz SXPHVEXZLSEJIH-UHFFFAOYSA-N 1 0 424.524 4.003 20 30 HIEDRO C=C(CNC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000501088006 910287580 /nfs/dbraw/zinc/28/75/80/910287580.db2.gz NBFXSPCFLNBVPC-NQIIRXRSSA-N 1 0 401.913 4.485 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H]2CCCC[C@H]2OC(F)F)sc2c1CCCCC2 ZINC000502484524 911482467 /nfs/dbraw/zinc/48/24/67/911482467.db2.gz MHLXXVUDHOAIQP-HZPDHXFCSA-N 1 0 411.518 4.357 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(C#N)c(C)n1)c1ccc(C(F)(F)F)cc1 ZINC000502508794 911514265 /nfs/dbraw/zinc/51/42/65/911514265.db2.gz SKJFKPORIJEFRI-IBGZPJMESA-N 1 0 404.436 4.093 20 30 HIEDRO C=CCOc1cccc(NC(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)c1 ZINC000502647848 911688011 /nfs/dbraw/zinc/68/80/11/911688011.db2.gz MSTZLFSWOKQNAS-LJQANCHMSA-N 1 0 409.530 4.273 20 30 HIEDRO CC[N@H+](CCNC(=O)NCc1cc(F)c(C(F)(F)F)cc1F)CCC(F)(F)F ZINC000503126934 912089020 /nfs/dbraw/zinc/08/90/20/912089020.db2.gz QLFHSWLBBHCPSP-UHFFFAOYSA-N 1 0 421.332 4.057 20 30 HIEDRO N#Cc1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1 ZINC000506353112 914972469 /nfs/dbraw/zinc/97/24/69/914972469.db2.gz MQNBGNPABQKVOK-UHFFFAOYSA-N 1 0 410.905 4.278 20 30 HIEDRO C[NH+]1CCC(C)(CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000506362291 914987213 /nfs/dbraw/zinc/98/72/13/914987213.db2.gz IAOLTWPFGFBVGJ-UHFFFAOYSA-N 1 0 406.530 4.185 20 30 HIEDRO C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)C1 ZINC000506467951 915064362 /nfs/dbraw/zinc/06/43/62/915064362.db2.gz VBKJHHMGLIGIGV-SFHVURJKSA-N 1 0 405.517 4.277 20 30 HIEDRO CC[C@@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(OC)c(OC)c1 ZINC000506640284 915308252 /nfs/dbraw/zinc/30/82/52/915308252.db2.gz WZIWUDVHLFLQSD-CXAGYDPISA-N 1 0 413.543 4.194 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cccc(OC(C)(C)C)n1 ZINC000506830372 915602414 /nfs/dbraw/zinc/60/24/14/915602414.db2.gz MHLMAKYGSVHYEG-UHFFFAOYSA-N 1 0 415.607 4.357 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)c1cccs1 ZINC000513427690 921796764 /nfs/dbraw/zinc/79/67/64/921796764.db2.gz VYYPLDCIXWIRAA-FQEVSTJZSA-N 1 0 405.523 4.231 20 30 HIEDRO C[N@H+](CCCc1cc(-c2ccccc2)no1)CC(=O)N(CCC#N)c1ccccc1 ZINC000507192766 915941801 /nfs/dbraw/zinc/94/18/01/915941801.db2.gz BMHKVAAOAGOAIC-UHFFFAOYSA-N 1 0 402.498 4.153 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)C[C@H]2OCCc3ccccc32)c1 ZINC000507225923 915978692 /nfs/dbraw/zinc/97/86/92/915978692.db2.gz ACHKRCZPVAUWSK-HYBUGGRVSA-N 1 0 405.542 4.184 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@H]3OCCc4ccccc43)sc2C1 ZINC000507261616 916023235 /nfs/dbraw/zinc/02/32/35/916023235.db2.gz VYRRGWYKGACLON-IIBYNOLFSA-N 1 0 423.582 4.319 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@H]3OCCc4ccccc43)sc2C1 ZINC000507261614 916023333 /nfs/dbraw/zinc/02/33/33/916023333.db2.gz VYRRGWYKGACLON-HRAATJIYSA-N 1 0 423.582 4.319 20 30 HIEDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cnn1-c1ccc(F)cc1 ZINC000507472758 916242587 /nfs/dbraw/zinc/24/25/87/916242587.db2.gz FUHGACCFFHJLJN-QMHKHESXSA-N 1 0 417.488 4.038 20 30 HIEDRO COc1ccc(OC(F)F)c(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c1 ZINC000507766356 916550465 /nfs/dbraw/zinc/55/04/65/916550465.db2.gz LYUYCAFCOJWFAR-UHFFFAOYSA-N 1 0 403.429 4.043 20 30 HIEDRO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507822336 916619458 /nfs/dbraw/zinc/61/94/58/916619458.db2.gz IGVLESDIVCTYFM-HXUWFJFHSA-N 1 0 405.542 4.227 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000508274811 917090418 /nfs/dbraw/zinc/09/04/18/917090418.db2.gz DCFPDKRFMWSZHB-UHFFFAOYSA-N 1 0 408.502 4.357 20 30 HIEDRO C=CCn1c(-c2ncccc2C)nnc1N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000508464271 917247979 /nfs/dbraw/zinc/24/79/79/917247979.db2.gz LRFNDIFUEXDEIJ-UHFFFAOYSA-N 1 0 424.552 4.310 20 30 HIEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508464443 917248591 /nfs/dbraw/zinc/24/85/91/917248591.db2.gz MIFPXWORBIPJFJ-FCHUYYIVSA-N 1 0 423.605 4.442 20 30 HIEDRO C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508464444 917248748 /nfs/dbraw/zinc/24/87/48/917248748.db2.gz MIFPXWORBIPJFJ-FGZHOGPDSA-N 1 0 423.605 4.442 20 30 HIEDRO C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000508467771 917253356 /nfs/dbraw/zinc/25/33/56/917253356.db2.gz ZJQPWBFOVKHRER-IBGZPJMESA-N 1 0 405.546 4.288 20 30 HIEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508478694 917263531 /nfs/dbraw/zinc/26/35/31/917263531.db2.gz SRPWHFKIEPCQGM-CTNGQTDRSA-N 1 0 404.562 4.094 20 30 HIEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508480826 917265070 /nfs/dbraw/zinc/26/50/70/917265070.db2.gz KPZUMETVVJMKLG-FPOVZHCZSA-N 1 0 411.569 4.285 20 30 HIEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508696621 917458541 /nfs/dbraw/zinc/45/85/41/917458541.db2.gz HQKKGGLGSRKRLK-REWPJTCUSA-N 1 0 421.589 4.113 20 30 HIEDRO C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508850515 917602174 /nfs/dbraw/zinc/60/21/74/917602174.db2.gz VHQXAYVANFXNQW-IBGZPJMESA-N 1 0 418.545 4.098 20 30 HIEDRO C=CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000508850228 917602266 /nfs/dbraw/zinc/60/22/66/917602266.db2.gz UOBJPXPPHWAUSH-HXUWFJFHSA-N 1 0 411.569 4.142 20 30 HIEDRO C=CCn1c(Cc2ccccc2Cl)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508873374 917626775 /nfs/dbraw/zinc/62/67/75/917626775.db2.gz MRDKZEUNWNFMMW-NQIIRXRSSA-N 1 0 411.981 4.161 20 30 HIEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508883776 917638123 /nfs/dbraw/zinc/63/81/23/917638123.db2.gz CPIMUUHQEVPNSV-VXKWHMMOSA-N 1 0 423.605 4.176 20 30 HIEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000508930200 917688642 /nfs/dbraw/zinc/68/86/42/917688642.db2.gz KKHSCAIIQOQZOF-HXUWFJFHSA-N 1 0 408.594 4.315 20 30 HIEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000508946151 917703804 /nfs/dbraw/zinc/70/38/04/917703804.db2.gz QSWPLADSKNFZRP-JOCHJYFZSA-N 1 0 423.605 4.300 20 30 HIEDRO C=CCn1c(Cc2cccc3ccccc32)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508952292 917708320 /nfs/dbraw/zinc/70/83/20/917708320.db2.gz PBVKYWPNYVMWIU-HXUWFJFHSA-N 1 0 403.574 4.376 20 30 HIEDRO C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508956327 917713299 /nfs/dbraw/zinc/71/32/99/917713299.db2.gz OWLKFRDILIFBNF-JTHBVZDNSA-N 1 0 423.605 4.272 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000508964827 917721175 /nfs/dbraw/zinc/72/11/75/917721175.db2.gz QLUZLXSGXHZUPJ-UHFFFAOYSA-N 1 0 400.526 4.122 20 30 HIEDRO CC1CC[NH+](Cc2cccc(CNC(=O)C3(c4cc(F)cc(C#N)c4)CC3)c2)CC1 ZINC000509184608 917894245 /nfs/dbraw/zinc/89/42/45/917894245.db2.gz MBTKXNOOFOTBAJ-UHFFFAOYSA-N 1 0 405.517 4.277 20 30 HIEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C ZINC000509191718 917897607 /nfs/dbraw/zinc/89/76/07/917897607.db2.gz JWHVMYITGDUPLU-QHCPKHFHSA-N 1 0 423.582 4.458 20 30 HIEDRO N#CC1(NC(=O)c2ccc(Cl)c3ncccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000509315073 917992316 /nfs/dbraw/zinc/99/23/16/917992316.db2.gz RTWPYUGGSISGLK-UHFFFAOYSA-N 1 0 404.901 4.176 20 30 HIEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3OC)CC2)cc1OC ZINC000509527454 918175141 /nfs/dbraw/zinc/17/51/41/918175141.db2.gz QGTLQHUNFCUOMQ-UHFFFAOYSA-N 1 0 410.514 4.119 20 30 HIEDRO C=CCOc1ccccc1C[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000509533848 918183393 /nfs/dbraw/zinc/18/33/93/918183393.db2.gz UGEDSKIOIFSEGB-UHFFFAOYSA-N 1 0 400.906 4.461 20 30 HIEDRO C=CCOc1ccc(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc1OC ZINC000510209241 918757785 /nfs/dbraw/zinc/75/77/85/918757785.db2.gz GKOSNZOIIPSOCG-FPOVZHCZSA-N 1 0 408.542 4.291 20 30 HIEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cc(C)cc(C)c1)c1ccc(OC)c(OC)c1 ZINC000510227978 918769962 /nfs/dbraw/zinc/76/99/62/918769962.db2.gz KKKVVTKPYJBGTD-OAQYLSRUSA-N 1 0 409.530 4.308 20 30 HIEDRO N#C[C@@H](NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccc(Cl)cc1 ZINC000510319248 918828305 /nfs/dbraw/zinc/82/83/05/918828305.db2.gz LRJMLWBKNFELHE-RTBURBONSA-N 1 0 403.860 4.178 20 30 HIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000510385182 918866102 /nfs/dbraw/zinc/86/61/02/918866102.db2.gz UFSDLQIJLPPXBV-UHFFFAOYSA-N 1 0 403.979 4.372 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)ccc1Cl ZINC000510453738 918910839 /nfs/dbraw/zinc/91/08/39/918910839.db2.gz JVMUOIAPXOEROH-HXUWFJFHSA-N 1 0 421.932 4.192 20 30 HIEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[NH+](C)C ZINC000510544518 918989353 /nfs/dbraw/zinc/98/93/53/918989353.db2.gz ISNGZACDLJLYNR-UUOWRZLLSA-N 1 0 414.509 4.475 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+](CCCO)[C@@H]2CCc3ccccc32)sc2c1CCCC2 ZINC000510651124 919092282 /nfs/dbraw/zinc/09/22/82/919092282.db2.gz QTCJWJUBIFGMLP-OAQYLSRUSA-N 1 0 423.582 4.199 20 30 HIEDRO C[NH+](C)Cc1ccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cc1 ZINC000510970414 919516161 /nfs/dbraw/zinc/51/61/61/919516161.db2.gz VAUDNBOQYAQAGJ-UHFFFAOYSA-N 1 0 409.540 4.016 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000511364383 919957460 /nfs/dbraw/zinc/95/74/60/919957460.db2.gz OORUTTAVUWHVGF-UHFFFAOYSA-N 1 0 418.541 4.328 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000511438521 920048795 /nfs/dbraw/zinc/04/87/95/920048795.db2.gz MEHNGKPLKPEPNV-PKTZIBPZSA-N 1 0 404.514 4.080 20 30 HIEDRO Cc1cc(F)ccc1N(CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(C#N)cc1 ZINC000511640005 920302438 /nfs/dbraw/zinc/30/24/38/920302438.db2.gz NTHCVTKAJOKCMU-UHFFFAOYSA-N 1 0 422.548 4.001 20 30 HIEDRO C[C@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000511710620 920375011 /nfs/dbraw/zinc/37/50/11/920375011.db2.gz UROKOUMQAJXVDZ-JTHBVZDNSA-N 1 0 411.496 4.175 20 30 HIEDRO N#C[C@@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1Cl ZINC000512274385 921029156 /nfs/dbraw/zinc/02/91/56/921029156.db2.gz CILOIACGCBFKBK-PKOBYXMFSA-N 1 0 403.860 4.178 20 30 HIEDRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C1 ZINC000512290588 921044352 /nfs/dbraw/zinc/04/43/52/921044352.db2.gz ZRGDLUXXHDMMQM-KHCICDEESA-N 1 0 409.578 4.240 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000512348745 921094347 /nfs/dbraw/zinc/09/43/47/921094347.db2.gz WWBXPMWFQUYXTQ-GCJKJVERSA-N 1 0 423.582 4.391 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2CCO[C@@H]2c2cccnc2)cc1OC ZINC000512354384 921100553 /nfs/dbraw/zinc/10/05/53/921100553.db2.gz BUOUCEZKAPTTHA-PKOBYXMFSA-N 1 0 419.319 4.037 20 30 HIEDRO N#CC1CCC(C[NH2+]C2CCC(NC(=O)COc3ccc(Cl)cc3)CC2)CC1 ZINC000513491014 921842333 /nfs/dbraw/zinc/84/23/33/921842333.db2.gz RFLQJPGEQAPXBB-UHFFFAOYSA-N 1 0 403.954 4.066 20 30 HIEDRO CC(C)OCc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000513536686 921876498 /nfs/dbraw/zinc/87/64/98/921876498.db2.gz NNXZJJDTKKMQSP-UHFFFAOYSA-N 1 0 406.530 4.223 20 30 HIEDRO Cc1ccc([C@@H](CNC(=O)c2cccc(COc3ccccc3C#N)c2)[NH+](C)C)cc1 ZINC000513736355 922057258 /nfs/dbraw/zinc/05/72/58/922057258.db2.gz ZNUGCPLGDUKPEW-XMMPIXPASA-N 1 0 413.521 4.478 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000515805348 923362153 /nfs/dbraw/zinc/36/21/53/923362153.db2.gz CPSPCUJDJZJTSN-XMMPIXPASA-N 1 0 423.557 4.239 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cccnc2Oc2ccc(Br)cc2)CC1 ZINC000517310739 924095161 /nfs/dbraw/zinc/09/51/61/924095161.db2.gz WSPUTQOMYBSUCL-UHFFFAOYSA-N 1 0 416.319 4.017 20 30 HIEDRO N#Cc1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1OCC(F)(F)F ZINC000517485894 924223672 /nfs/dbraw/zinc/22/36/72/924223672.db2.gz BVKAZNAZOZZIST-QGZVFWFLSA-N 1 0 417.431 4.350 20 30 HIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000517654599 926762329 /nfs/dbraw/zinc/76/23/29/926762329.db2.gz ZJVBZDRUTAXGSZ-XMSQKQJNSA-N 1 0 412.493 4.311 20 30 HIEDRO CC[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000517781117 926834058 /nfs/dbraw/zinc/83/40/58/926834058.db2.gz HVCLYHTVWCUSEG-DEOSSOPVSA-N 1 0 404.558 4.315 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)Cc2ccc(OCc3ccc(C)cc3)cc2)CC1 ZINC000518022791 926961519 /nfs/dbraw/zinc/96/15/19/926961519.db2.gz GUZKQCZQMSZMIE-NRFANRHFSA-N 1 0 421.585 4.455 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)Cc2ccc(OCc3ccc(C)cc3)cc2)CC1 ZINC000518022794 926962230 /nfs/dbraw/zinc/96/22/30/926962230.db2.gz GUZKQCZQMSZMIE-OAQYLSRUSA-N 1 0 421.585 4.455 20 30 HIEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)s2)cc1 ZINC000518095382 927018363 /nfs/dbraw/zinc/01/83/63/927018363.db2.gz VMOPGYBGQWRGQR-IBGZPJMESA-N 1 0 409.559 4.088 20 30 HIEDRO C=CC[N@H+](Cc1ccc(Br)cc1F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255109 927111832 /nfs/dbraw/zinc/11/18/32/927111832.db2.gz FXAHTZAGVKTBDA-CQSZACIVSA-N 1 0 416.298 4.313 20 30 HIEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)CC1 ZINC000518261001 927118259 /nfs/dbraw/zinc/11/82/59/927118259.db2.gz ONHPWHDCCRSBHN-UHFFFAOYSA-N 1 0 422.598 4.060 20 30 HIEDRO N#Cc1ccc(Oc2ccc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)cc2)nc1 ZINC000518389746 927234677 /nfs/dbraw/zinc/23/46/77/927234677.db2.gz CAJITMBOYOIAPT-HSZRJFAPSA-N 1 0 412.493 4.312 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N(CCOC)[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000518528610 927330019 /nfs/dbraw/zinc/33/00/19/927330019.db2.gz MMTQUJBUYFXYJR-INIZCTEOSA-N 1 0 413.484 4.075 20 30 HIEDRO COc1cccc(OC(F)(F)F)c1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000518806240 927503009 /nfs/dbraw/zinc/50/30/09/927503009.db2.gz XMWFBVKDMMOLNL-UHFFFAOYSA-N 1 0 419.447 4.220 20 30 HIEDRO N#Cc1cccc(OC2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3Cl)CC2)c1 ZINC000519202404 927825184 /nfs/dbraw/zinc/82/51/84/927825184.db2.gz PLJSLMMDVKGEHE-KRWDZBQOSA-N 1 0 421.324 4.148 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(OC2CCC(C)CC2)CC1)C(C)C ZINC000519452246 927959370 /nfs/dbraw/zinc/95/93/70/927959370.db2.gz VNSUSNOQZUEJEA-YDPRHXJPSA-N 1 0 405.627 4.454 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000520144172 928338644 /nfs/dbraw/zinc/33/86/44/928338644.db2.gz SXFVZSUNPIHICU-QZTJIDSGSA-N 1 0 402.539 4.049 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000520145010 928339903 /nfs/dbraw/zinc/33/99/03/928339903.db2.gz NVNIIBZLMUPSEV-XMMPIXPASA-N 1 0 418.541 4.102 20 30 HIEDRO CC(C)C[N@H+](CC(=O)N(Cc1ccco1)CC(F)(F)F)Cc1ccc(C#N)cc1 ZINC000520173092 928362292 /nfs/dbraw/zinc/36/22/92/928362292.db2.gz KDFIPWHJCKDPCV-UHFFFAOYSA-N 1 0 407.436 4.200 20 30 HIEDRO COc1cc(Br)c(C[NH2+]CCSCc2ccccc2C#N)cc1OC ZINC000520208751 928389574 /nfs/dbraw/zinc/38/95/74/928389574.db2.gz HWUPVGYDZSEXHH-UHFFFAOYSA-N 1 0 421.360 4.361 20 30 HIEDRO N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H](C[NH+]4CCCCCC4)C3)cc2)nc1 ZINC000520357121 928518175 /nfs/dbraw/zinc/51/81/75/928518175.db2.gz XKMGUAGASPNXPL-OAQYLSRUSA-N 1 0 418.541 4.474 20 30 HIEDRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000520649145 928699535 /nfs/dbraw/zinc/69/95/35/928699535.db2.gz XVKGVOKOBFSFBE-RBNQXFGJSA-N 1 0 413.443 4.371 20 30 HIEDRO Cc1nc(CCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)oc1-c1ccccc1 ZINC000520713711 928762606 /nfs/dbraw/zinc/76/26/06/928762606.db2.gz ZRLUQIPPAMNCMX-UHFFFAOYSA-N 1 0 416.525 4.045 20 30 HIEDRO CC[NH+](CC)CCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000520985924 928904886 /nfs/dbraw/zinc/90/48/86/928904886.db2.gz CQOYUAQTFMIFFB-UHFFFAOYSA-N 1 0 400.910 4.254 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000521082522 928980497 /nfs/dbraw/zinc/98/04/97/928980497.db2.gz GQLNNQYWJOVJCE-RTBURBONSA-N 1 0 402.539 4.051 20 30 HIEDRO Cc1ccc([C@@H](CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)[NH+](C)C)cc1 ZINC000521488940 929247839 /nfs/dbraw/zinc/24/78/39/929247839.db2.gz GUZZHOGYAIPDBR-RUZDIDTESA-N 1 0 413.521 4.478 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)CC1 ZINC000521589607 929314426 /nfs/dbraw/zinc/31/44/26/929314426.db2.gz GLYBIKBFXGWNIO-UHFFFAOYSA-N 1 0 407.440 4.053 20 30 HIEDRO N#Cc1cc(NC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)ccc1F ZINC000521654544 929347832 /nfs/dbraw/zinc/34/78/32/929347832.db2.gz LGFXOOUOLQPQIO-UHFFFAOYSA-N 1 0 400.885 4.384 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)CC1 ZINC000521657419 929349577 /nfs/dbraw/zinc/34/95/77/929349577.db2.gz JDPJKBQMPZEZPG-UHFFFAOYSA-N 1 0 404.967 4.468 20 30 HIEDRO COc1cccc(CC[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c1OC ZINC000521826550 929480415 /nfs/dbraw/zinc/48/04/15/929480415.db2.gz HUSZNPXQSCMVES-UHFFFAOYSA-N 1 0 402.494 4.487 20 30 HIEDRO COC1CCN(C(C)(C)C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000521841305 929493711 /nfs/dbraw/zinc/49/37/11/929493711.db2.gz BIRIJBXUXQRJRI-UHFFFAOYSA-N 1 0 407.558 4.116 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCOc3ccc([N+](=O)[O-])cc3)c2)c1 ZINC000521860541 929511458 /nfs/dbraw/zinc/51/14/58/929511458.db2.gz UZSLZNLLQLSUHY-UHFFFAOYSA-N 1 0 403.438 4.214 20 30 HIEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(OC3CCC(C)CC3)CC2)c(OC)c1 ZINC000524676936 929790250 /nfs/dbraw/zinc/79/02/50/929790250.db2.gz WAMCDYOLZRWSHO-IRQNMHNUSA-N 1 0 417.590 4.223 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3c[nH]nc3-c3ccc(Cl)cc3)C2)c(F)c1 ZINC000524688095 929800184 /nfs/dbraw/zinc/80/01/84/929800184.db2.gz XVLMFCVQLBOJBP-LJQANCHMSA-N 1 0 409.896 4.499 20 30 HIEDRO C[C@H]([NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)c1cc2ccccc2s1 ZINC000525952195 930493910 /nfs/dbraw/zinc/49/39/10/930493910.db2.gz NWZPCQPAQNBJMV-WMZOPIPTSA-N 1 0 424.595 4.022 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Cc2cccc(C#N)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000530670023 930793417 /nfs/dbraw/zinc/79/34/17/930793417.db2.gz YTZRZXYXYJZFHB-SIKLNZKXSA-N 1 0 415.459 4.319 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Cl)cc1 ZINC000530829385 930834009 /nfs/dbraw/zinc/83/40/09/930834009.db2.gz SNKQZNASVMHFEI-NRFANRHFSA-N 1 0 420.900 4.432 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000530965103 930870224 /nfs/dbraw/zinc/87/02/24/930870224.db2.gz DTVPESIQOKVQGO-IBGZPJMESA-N 1 0 406.368 4.336 20 30 HIEDRO CCC[NH+]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 ZINC000531146668 930944405 /nfs/dbraw/zinc/94/44/05/930944405.db2.gz IWXIMWFEAAWTBF-UHFFFAOYSA-N 1 0 412.921 4.350 20 30 HIEDRO COc1ccc2ccccc2c1C[N@H+](CC(=O)N(CCC#N)CCC#N)C1CCCC1 ZINC000531841064 931216259 /nfs/dbraw/zinc/21/62/59/931216259.db2.gz VMKXJXRMGYOJDC-UHFFFAOYSA-N 1 0 418.541 4.249 20 30 HIEDRO CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000531970372 931270442 /nfs/dbraw/zinc/27/04/42/931270442.db2.gz WAHWMBJUBRFRBB-FXAWDEMLSA-N 1 0 408.521 4.235 20 30 HIEDRO N#Cc1cccc(OC2CC[NH+](CCc3ncc(-c4cccc([N+](=O)[O-])c4)o3)CC2)c1 ZINC000532571141 931533324 /nfs/dbraw/zinc/53/33/24/931533324.db2.gz LTIYYZHKAUCCCN-UHFFFAOYSA-N 1 0 418.453 4.207 20 30 HIEDRO CC[N@H+](CCOc1ccc(Br)cc1)CCC(=O)Nc1ccccc1C#N ZINC000532583598 931540343 /nfs/dbraw/zinc/54/03/43/931540343.db2.gz PJBGIKNUBUNBKB-UHFFFAOYSA-N 1 0 416.319 4.050 20 30 HIEDRO CC(C)C[N@H+](CC(=O)N1CCc2[nH]c3ccccc3c2C1)Cc1ccc(C#N)cc1 ZINC000532933463 931702440 /nfs/dbraw/zinc/70/24/40/931702440.db2.gz PQJNULGHOJMQKO-UHFFFAOYSA-N 1 0 400.526 4.082 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[NH+](C3CCC(C)CC3)CC2)c1 ZINC000532976280 931723163 /nfs/dbraw/zinc/72/31/63/931723163.db2.gz DGISLVYOOZCMJN-UTCTYZAISA-N 1 0 410.606 4.135 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccccn2)c1C#N ZINC000533026584 931744170 /nfs/dbraw/zinc/74/41/70/931744170.db2.gz OIPSKGKOKOCIHU-JOCHJYFZSA-N 1 0 417.513 4.179 20 30 HIEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH+](CC2CC2)CC2CC2)c1C#N ZINC000533060692 931758793 /nfs/dbraw/zinc/75/87/93/931758793.db2.gz FYUWAQMJINEMSE-UHFFFAOYSA-N 1 0 408.521 4.225 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(C(F)(F)F)cc1Br ZINC000533163810 931795962 /nfs/dbraw/zinc/79/59/62/931795962.db2.gz ZZKFNWKTDSXRGK-UHFFFAOYSA-N 1 0 421.261 4.167 20 30 HIEDRO COc1ccc(C[NH2+]C2CCN([C@H](C)c3ccncc3)CC2)cc1OCCCC#N ZINC000533359788 931848404 /nfs/dbraw/zinc/84/84/04/931848404.db2.gz CVZKIDUFDRBXEJ-LJQANCHMSA-N 1 0 408.546 4.088 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3c[nH]c4ncccc34)CC1)CCC2 ZINC000533381469 931853522 /nfs/dbraw/zinc/85/35/22/931853522.db2.gz WKPZEKNIUARGLJ-UHFFFAOYSA-N 1 0 419.554 4.193 20 30 HIEDRO CC1CC[NH+](C[C@@H]2CCCN(CC(=O)c3cn(CCC#N)c4ccccc34)C2)CC1 ZINC000533397412 931858174 /nfs/dbraw/zinc/85/81/74/931858174.db2.gz MRVVWGFIYTVFND-NRFANRHFSA-N 1 0 406.574 4.182 20 30 HIEDRO CCCO[C@H]1CCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC000533419562 931862531 /nfs/dbraw/zinc/86/25/31/931862531.db2.gz HHHMWHFKKWQYJX-IRXDYDNUSA-N 1 0 403.592 4.354 20 30 HIEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]CC(=O)N(CCC#N)c1ccccc1 ZINC000533521460 931893184 /nfs/dbraw/zinc/89/31/84/931893184.db2.gz HVQKJYMXTKVFDK-UHFFFAOYSA-N 1 0 414.347 4.307 20 30 HIEDRO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[N@@H+]1CCCC13CCCCC3)CCCC2 ZINC000533992976 932171562 /nfs/dbraw/zinc/17/15/62/932171562.db2.gz OYBIXTHTSXALGB-LJQANCHMSA-N 1 0 424.589 4.155 20 30 HIEDRO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@H]1c1ccccc1 ZINC000534018865 932201670 /nfs/dbraw/zinc/20/16/70/932201670.db2.gz IXKWDXZKXJEJDX-JWQCQUIFSA-N 1 0 411.505 4.312 20 30 HIEDRO N#CCc1ccc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1 ZINC000534689719 932660281 /nfs/dbraw/zinc/66/02/81/932660281.db2.gz CLYKGNOSJQSPHT-FQEVSTJZSA-N 1 0 415.459 4.279 20 30 HIEDRO C[N@@H+]1CC[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@H]1c1ccccc1 ZINC000534753516 932730074 /nfs/dbraw/zinc/73/00/74/932730074.db2.gz KWAHKNWNKBMYJC-LOSJGSFVSA-N 1 0 411.505 4.312 20 30 HIEDRO C=C[C@@H](CC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC000535372660 933098782 /nfs/dbraw/zinc/09/87/82/933098782.db2.gz FOQLKCDZAYVLHY-QHCPKHFHSA-N 1 0 405.586 4.373 20 30 HIEDRO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)[C@@H]1c1ccccc1 ZINC000535466572 933156644 /nfs/dbraw/zinc/15/66/44/933156644.db2.gz SZRHWBGCYOQDOT-RPBOFIJWSA-N 1 0 411.505 4.312 20 30 HIEDRO COc1ccc(C[C@H](C)C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000535629392 933274074 /nfs/dbraw/zinc/27/40/74/933274074.db2.gz ZOTDJCDQDSZXAB-RBUKOAKNSA-N 1 0 411.521 4.280 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CC[C@@H](C3CCOCC3)C2)c1C#N ZINC000535871188 933453659 /nfs/dbraw/zinc/45/36/59/933453659.db2.gz RFUHSSNNPTYPST-HXUWFJFHSA-N 1 0 412.578 4.169 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3ccc(Br)s3)CC2)cc1 ZINC000537296062 933702569 /nfs/dbraw/zinc/70/25/69/933702569.db2.gz SBWOMSVZJXXJQJ-UHFFFAOYSA-N 1 0 404.377 4.179 20 30 HIEDRO COc1ccc(C[NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)cc1OCCCC#N ZINC000537342975 933726183 /nfs/dbraw/zinc/72/61/83/933726183.db2.gz IXTGJBFKXDDVCY-DENIHFKCSA-N 1 0 402.441 4.276 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 ZINC000562580127 945102689 /nfs/dbraw/zinc/10/26/89/945102689.db2.gz YBJKWABWGHFXHL-NQIIRXRSSA-N 1 0 404.432 4.272 20 30 HIEDRO COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537977910 938444895 /nfs/dbraw/zinc/44/48/95/938444895.db2.gz ZJBNVYLFJQDDDZ-QHGAOEGBSA-N 1 0 407.514 4.264 20 30 HIEDRO C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000563316876 945177530 /nfs/dbraw/zinc/17/75/30/945177530.db2.gz ZHCOGHMPADKSKQ-IFXJQAMLSA-N 1 0 420.435 4.312 20 30 HIEDRO COc1cccc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)c1 ZINC000538128134 938513021 /nfs/dbraw/zinc/51/30/21/938513021.db2.gz IUHICXFNKCJWFW-KRWDZBQOSA-N 1 0 402.498 4.264 20 30 HIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000538129189 938514366 /nfs/dbraw/zinc/51/43/66/938514366.db2.gz XMFKNDZUWHQPFV-RTBURBONSA-N 1 0 406.530 4.248 20 30 HIEDRO CC[C@H]([NH2+]CC#Cc1cccc(Cl)c1)c1ccccc1OCC(=O)N1CCCC1 ZINC000538152362 938524385 /nfs/dbraw/zinc/52/43/85/938524385.db2.gz ZSBIONVEBZFZML-QFIPXVFZSA-N 1 0 410.945 4.434 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccccc2-n2cccn2)c1 ZINC000538159818 938529435 /nfs/dbraw/zinc/52/94/35/938529435.db2.gz IGJOGTXBESVQPE-HXUWFJFHSA-N 1 0 401.514 4.087 20 30 HIEDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)cc1OCC ZINC000538167829 938533511 /nfs/dbraw/zinc/53/35/11/938533511.db2.gz HKVAWRJUMWCSQW-CQSZACIVSA-N 1 0 401.532 4.323 20 30 HIEDRO N#Cc1c(NC(=O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)sc2c1CCCCC2 ZINC000538186581 938542779 /nfs/dbraw/zinc/54/27/79/938542779.db2.gz SXONFWQLDLZETJ-VGOFRKELSA-N 1 0 409.555 4.195 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc(-n2cccn2)c1 ZINC000538186189 938542791 /nfs/dbraw/zinc/54/27/91/938542791.db2.gz CRNMEVAZWWRHSS-ROUUACIJSA-N 1 0 419.554 4.413 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)ccc1Cl ZINC000538198837 938550892 /nfs/dbraw/zinc/55/08/92/938550892.db2.gz SXEIHKQGWSEMGJ-AUSIDOKSSA-N 1 0 411.933 4.263 20 30 HIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 ZINC000538266820 938578905 /nfs/dbraw/zinc/57/89/05/938578905.db2.gz MKOTXHDQTDWURB-HXUWFJFHSA-N 1 0 415.541 4.395 20 30 HIEDRO C[C@@H]([NH2+]Cc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1)c1ccc(C#N)cc1 ZINC000538397257 938610490 /nfs/dbraw/zinc/61/04/90/938610490.db2.gz WJZYKKMMLQLXAP-LJQANCHMSA-N 1 0 415.516 4.270 20 30 HIEDRO COc1ccc(Br)cc1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000538406762 938613006 /nfs/dbraw/zinc/61/30/06/938613006.db2.gz TWFKSWHDMIHOAQ-UHFFFAOYSA-N 1 0 414.347 4.084 20 30 HIEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538981137 938758488 /nfs/dbraw/zinc/75/84/88/938758488.db2.gz NALDMNIVQVLJAW-UHFFFAOYSA-N 1 0 405.546 4.037 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000539278755 938832613 /nfs/dbraw/zinc/83/26/13/938832613.db2.gz GCLIQPZYKRUHBQ-HNNXBMFYSA-N 1 0 400.866 4.154 20 30 HIEDRO Cc1c([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)cnn1-c1ccc(F)cc1 ZINC000539369904 938850056 /nfs/dbraw/zinc/85/00/56/938850056.db2.gz RUQMOLGPWJWVPU-ZDUSSCGKSA-N 1 0 411.868 4.134 20 30 HIEDRO COC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(F)cc1 ZINC000539380259 938851904 /nfs/dbraw/zinc/85/19/04/938851904.db2.gz OVJZGIGHCGQNPT-LJQANCHMSA-N 1 0 415.534 4.334 20 30 HIEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)C1CCOCC1 ZINC000539425973 938858947 /nfs/dbraw/zinc/85/89/47/938858947.db2.gz ZTKHXULAHQOGCK-NRFANRHFSA-N 1 0 400.567 4.215 20 30 HIEDRO C[C@H]([NH2+]Cc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)c1ccc(C#N)cc1 ZINC000539499054 938869093 /nfs/dbraw/zinc/86/90/93/938869093.db2.gz CHGRUFFYBUNANZ-KRWDZBQOSA-N 1 0 423.513 4.027 20 30 HIEDRO COc1ccc([C@@H](CO)[N@H+](C)Cc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000539827750 938948852 /nfs/dbraw/zinc/94/88/52/938948852.db2.gz XRMAPBWIFCXYOA-RUZDIDTESA-N 1 0 402.494 4.311 20 30 HIEDRO COc1cc(OC)cc(N2CCC[N@H+](Cc3cccc(OCCCC#N)c3)CC2)c1 ZINC000539861327 938960090 /nfs/dbraw/zinc/96/00/90/938960090.db2.gz LLDSVSAOPIPHQL-UHFFFAOYSA-N 1 0 409.530 4.099 20 30 HIEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000539979186 939028864 /nfs/dbraw/zinc/02/88/64/939028864.db2.gz XTTJXTFUTLUFLY-XMMPIXPASA-N 1 0 420.557 4.122 20 30 HIEDRO C[C@H]([NH2+][C@@H](CCC#N)c1ccccc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000540152522 939093597 /nfs/dbraw/zinc/09/35/97/939093597.db2.gz JFXBUDKDBWWINH-MBSDFSHPSA-N 1 0 423.538 4.454 20 30 HIEDRO C[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000540365233 939212221 /nfs/dbraw/zinc/21/22/21/939212221.db2.gz JHNSFLGEKFFKHZ-KRWDZBQOSA-N 1 0 403.457 4.457 20 30 HIEDRO Cc1cccc(COc2ccc([C@@H](C)[NH2+]CC(=O)NCc3cccc(C#N)c3)cc2)c1 ZINC000540400086 939234937 /nfs/dbraw/zinc/23/49/37/939234937.db2.gz AEUVXINDECWRND-HXUWFJFHSA-N 1 0 413.521 4.413 20 30 HIEDRO COc1ccc(C(C)(C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000540595333 939314004 /nfs/dbraw/zinc/31/40/04/939314004.db2.gz ZKDJGLSTNJAITI-UHFFFAOYSA-N 1 0 407.558 4.107 20 30 HIEDRO CN1CC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000540606744 939318294 /nfs/dbraw/zinc/31/82/94/939318294.db2.gz RYAGWEQFSSKWQY-DNQXCXABSA-N 1 0 408.977 4.211 20 30 HIEDRO C[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccc(C#N)cc1 ZINC000540608800 939318553 /nfs/dbraw/zinc/31/85/53/939318553.db2.gz URMVDCBSGMHHGE-HNNXBMFYSA-N 1 0 400.320 4.008 20 30 HIEDRO C[C@H](CC(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)cc1 ZINC000540776506 939368084 /nfs/dbraw/zinc/36/80/84/939368084.db2.gz JLIDOOFSFGRMHA-QGZVFWFLSA-N 1 0 411.933 4.011 20 30 HIEDRO N#CC1(NC(=O)c2ccnc(Oc3ccccc3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000540891970 939411637 /nfs/dbraw/zinc/41/16/37/939411637.db2.gz DUTTXFGJGZQZHZ-UHFFFAOYSA-N 1 0 412.493 4.162 20 30 HIEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000540980186 939424129 /nfs/dbraw/zinc/42/41/29/939424129.db2.gz IYFSSBCIDBTHKQ-SFHVURJKSA-N 1 0 424.524 4.003 20 30 HIEDRO N#CCC1CC[NH+](CC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000541020186 939432227 /nfs/dbraw/zinc/43/22/27/939432227.db2.gz MPKYKVZOAAMDNI-QFIPXVFZSA-N 1 0 400.526 4.042 20 30 HIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000541026933 939434446 /nfs/dbraw/zinc/43/44/46/939434446.db2.gz JJEPHLQQBRGOHS-MSOLQXFVSA-N 1 0 419.504 4.306 20 30 HIEDRO COc1cc(C#N)ccc1OCCN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000541087307 939455375 /nfs/dbraw/zinc/45/53/75/939455375.db2.gz YBGHXNOQJDQADC-HXUWFJFHSA-N 1 0 406.404 4.038 20 30 HIEDRO C[C@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541126005 939470006 /nfs/dbraw/zinc/47/00/06/939470006.db2.gz SPYAVBUPZBDEMA-AQNXPRMDSA-N 1 0 420.557 4.085 20 30 HIEDRO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541131991 939472122 /nfs/dbraw/zinc/47/21/22/939472122.db2.gz DBCOCCUUIIRYRA-MHECFPHRSA-N 1 0 403.526 4.046 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nc(-c3cccc(C(F)(F)F)c3)oc2C)CC1 ZINC000541152635 939477862 /nfs/dbraw/zinc/47/78/62/939477862.db2.gz IXVXRPASXRXOFM-UHFFFAOYSA-N 1 0 407.436 4.439 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(OC)c2)cc1 ZINC000541320587 939490762 /nfs/dbraw/zinc/49/07/62/939490762.db2.gz ZNBIYADCRPJBIC-YADARESESA-N 1 0 421.541 4.424 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000541600761 939565358 /nfs/dbraw/zinc/56/53/58/939565358.db2.gz VFPLUXXMEIXJGQ-FUHWJXTLSA-N 1 0 402.583 4.146 20 30 HIEDRO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541700965 939608419 /nfs/dbraw/zinc/60/84/19/939608419.db2.gz BACRHHMWTZXVKQ-AZUAARDMSA-N 1 0 401.869 4.141 20 30 HIEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000541750535 939620463 /nfs/dbraw/zinc/62/04/63/939620463.db2.gz LBSDYMQKEWPNPO-KRWDZBQOSA-N 1 0 424.520 4.470 20 30 HIEDRO CN1CCC[C@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1c1cccs1 ZINC000541910181 939651798 /nfs/dbraw/zinc/65/17/98/939651798.db2.gz CIZDRDPGZKWZDB-ZJSXRUAMSA-N 1 0 408.615 4.257 20 30 HIEDRO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000542124781 939721775 /nfs/dbraw/zinc/72/17/75/939721775.db2.gz RFDCPGWDMSYFSC-GOSISDBHSA-N 1 0 415.541 4.272 20 30 HIEDRO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2CC(=O)N[C@@](C)(C#N)C2CC2)c1 ZINC000542261599 939775444 /nfs/dbraw/zinc/77/54/44/939775444.db2.gz PCSUBTBMFAVJIB-CAOCKLPOSA-N 1 0 403.526 4.034 20 30 HIEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)[C@@H]2C ZINC000542880768 939864876 /nfs/dbraw/zinc/86/48/76/939864876.db2.gz HBPIYJUXZPKZTE-LSDHHAIUSA-N 1 0 409.555 4.453 20 30 HIEDRO CC[NH+](CC)CCCC1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000542942717 939882966 /nfs/dbraw/zinc/88/29/66/939882966.db2.gz WEGCLZOFAGMJDE-KRWDZBQOSA-N 1 0 416.635 4.269 20 30 HIEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000542998731 939893496 /nfs/dbraw/zinc/89/34/96/939893496.db2.gz UGHAMLDDYBIGOI-UHFFFAOYSA-N 1 0 405.889 4.245 20 30 HIEDRO N#Cc1cnn2c1NC[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)c1ccccc1Cl)C2 ZINC000563756481 945286051 /nfs/dbraw/zinc/28/60/51/945286051.db2.gz VWEWMOLVAWFDBW-XOBRGWDASA-N 1 0 412.324 4.482 20 30 HIEDRO N#Cc1ccc(CN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C2CC2)cc1 ZINC000543372204 940044779 /nfs/dbraw/zinc/04/47/79/940044779.db2.gz KCFQTVIXKXSQHP-UHFFFAOYSA-N 1 0 406.505 4.036 20 30 HIEDRO C[C@@H]1CN(Cc2ccccc2NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@H](C)O1 ZINC000543759034 940177114 /nfs/dbraw/zinc/17/71/14/940177114.db2.gz WMDINOCLTZAFON-OYRHEFFESA-N 1 0 418.585 4.244 20 30 HIEDRO COCc1cccc(CNC(=O)C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000543870510 940218110 /nfs/dbraw/zinc/21/81/10/940218110.db2.gz BHCARWLOFWRKPP-LJQANCHMSA-N 1 0 413.521 4.339 20 30 HIEDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543872561 940219387 /nfs/dbraw/zinc/21/93/87/940219387.db2.gz CAUQQSAYSNDFBP-SFHVURJKSA-N 1 0 419.550 4.326 20 30 HIEDRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2c(F)cccc2OC(F)(F)F)C1 ZINC000563836002 945309738 /nfs/dbraw/zinc/30/97/38/945309738.db2.gz MKWGJMLLDWISRI-LLVKDONJSA-N 1 0 416.337 4.147 20 30 HIEDRO Cn1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C2CCCCC2)n1 ZINC000544347463 940396898 /nfs/dbraw/zinc/39/68/98/940396898.db2.gz WNNWZEJKKOKTPZ-UHFFFAOYSA-N 1 0 405.546 4.190 20 30 HIEDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000544460119 940440336 /nfs/dbraw/zinc/44/03/36/940440336.db2.gz ZCDLQNSOOKRJMQ-CABCVRRESA-N 1 0 410.461 4.133 20 30 HIEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@@H](O)COc3ccc(C#N)cc3)s2)cc1 ZINC000544465660 940442760 /nfs/dbraw/zinc/44/27/60/940442760.db2.gz YQJYTYHYECIZJK-HNAYVOBHSA-N 1 0 423.538 4.089 20 30 HIEDRO C=CCc1cc(C(=O)N(CC)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000544851165 940519170 /nfs/dbraw/zinc/51/91/70/940519170.db2.gz OUCWQFPUTXPDIN-QFIPXVFZSA-N 1 0 408.542 4.169 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000546227626 940735761 /nfs/dbraw/zinc/73/57/61/940735761.db2.gz BLHYEDUJUJMYLX-SFHVURJKSA-N 1 0 422.573 4.181 20 30 HIEDRO CC[NH+](CC)CCOc1ccc(-c2noc(-c3ccc(C#N)cc3C)n2)cc1OC ZINC000546987747 940941303 /nfs/dbraw/zinc/94/13/03/940941303.db2.gz YTDDLXPKXLWHIQ-UHFFFAOYSA-N 1 0 406.486 4.313 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(C#N)cc1 ZINC000548936061 941130794 /nfs/dbraw/zinc/13/07/94/941130794.db2.gz JCSBCKSFFJNZEV-KGLIPLIRSA-N 1 0 421.482 4.268 20 30 HIEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000549060674 941150915 /nfs/dbraw/zinc/15/09/15/941150915.db2.gz VDCKPSFMDJQOQJ-LJQANCHMSA-N 1 0 406.578 4.318 20 30 HIEDRO N#CC1(CCC[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccccc2)CCOCC1 ZINC000549164199 941167558 /nfs/dbraw/zinc/16/75/58/941167558.db2.gz BGASRXLMEPMQBE-LOSJGSFVSA-N 1 0 403.570 4.345 20 30 HIEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549331841 941180750 /nfs/dbraw/zinc/18/07/50/941180750.db2.gz LBYNOQAUAWROQH-FQEVSTJZSA-N 1 0 402.546 4.134 20 30 HIEDRO CC(C)N1CC[C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549341561 941181336 /nfs/dbraw/zinc/18/13/36/941181336.db2.gz VJAZLAXXEFWMSX-RBBKRZOGSA-N 1 0 414.912 4.103 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCN(c3cc(Cl)ccc3OC)C2)cc1OC ZINC000549551730 941199139 /nfs/dbraw/zinc/19/91/39/941199139.db2.gz XWQPJPYLEAZCND-SFHVURJKSA-N 1 0 402.922 4.291 20 30 HIEDRO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000549644195 941202648 /nfs/dbraw/zinc/20/26/48/941202648.db2.gz KQQPUSUISUKRDR-GOSISDBHSA-N 1 0 401.986 4.267 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000549664989 941203528 /nfs/dbraw/zinc/20/35/28/941203528.db2.gz AVOVUQHQGJHNQZ-OAQYLSRUSA-N 1 0 409.578 4.115 20 30 HIEDRO CC[C@@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)[N@H+](C)Cc1ccccc1 ZINC000549806944 941207933 /nfs/dbraw/zinc/20/79/33/941207933.db2.gz BIWDATMUAFTJLI-MOPGFXCFSA-N 1 0 400.320 4.041 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](c2ccc([C@H](C)CC)cc2)C(C)C)CC1 ZINC000550125689 941287546 /nfs/dbraw/zinc/28/75/46/941287546.db2.gz VBSUBCAHRPGLMA-XXBNENTESA-N 1 0 413.606 4.170 20 30 HIEDRO C=CCC[C@@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1)c1ccccc1 ZINC000550171565 941293035 /nfs/dbraw/zinc/29/30/35/941293035.db2.gz JAYRWMUOWZAQLG-XMMPIXPASA-N 1 0 419.569 4.112 20 30 HIEDRO C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1=O ZINC000550292254 941310172 /nfs/dbraw/zinc/31/01/72/941310172.db2.gz UDCVAVXDNMIZMP-FDDCHVKYSA-N 1 0 409.505 4.350 20 30 HIEDRO N#Cc1cccc(C2([NH2+]CC(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)CC2)c1 ZINC000551411040 941472071 /nfs/dbraw/zinc/47/20/71/941472071.db2.gz MFKRPSQMTKQQRF-UHFFFAOYSA-N 1 0 405.885 4.367 20 30 HIEDRO N#Cc1cccc(NC(=O)C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)c1 ZINC000551721406 941533111 /nfs/dbraw/zinc/53/31/11/941533111.db2.gz STGGWVFZSGZUED-NRFANRHFSA-N 1 0 417.431 4.273 20 30 HIEDRO Cc1cccc([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C(=O)N2CCC(CC#N)CC2)c1 ZINC000551846364 941557222 /nfs/dbraw/zinc/55/72/22/941557222.db2.gz ZWBKTAHKYLOEOC-RPBOFIJWSA-N 1 0 401.554 4.363 20 30 HIEDRO C=CCOc1ccc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1OC ZINC000552133718 941591163 /nfs/dbraw/zinc/59/11/63/941591163.db2.gz QNOUQIMAHCMCMM-GOSISDBHSA-N 1 0 414.571 4.224 20 30 HIEDRO C=CC[N@H+](Cc1c(C)nn(-c2ccccc2)c1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000552243084 941612429 /nfs/dbraw/zinc/61/24/29/941612429.db2.gz PPDDSGIUVAHSKH-IBGZPJMESA-N 1 0 413.529 4.214 20 30 HIEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCSc3ccc(F)cc32)c(OC)c1 ZINC000552497261 941688748 /nfs/dbraw/zinc/68/87/48/941688748.db2.gz BDVVRXZKYBYUCK-PKOBYXMFSA-N 1 0 403.519 4.129 20 30 HIEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]Cc2nc3cc(Cl)ccc3s2)c(OC)c1 ZINC000552838025 941783328 /nfs/dbraw/zinc/78/33/28/941783328.db2.gz GKSXXBICTVPMKC-INIZCTEOSA-N 1 0 418.946 4.216 20 30 HIEDRO N#Cc1c(NCCCOC2CC[NH+](Cc3ccccc3)CC2)nc2cc(Cl)ccn21 ZINC000553154235 941841508 /nfs/dbraw/zinc/84/15/08/941841508.db2.gz DLFFLVUUBHCKPN-UHFFFAOYSA-N 1 0 423.948 4.343 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000553409559 941880540 /nfs/dbraw/zinc/88/05/40/941880540.db2.gz COPWJUYMPQXTJP-HXUWFJFHSA-N 1 0 420.557 4.283 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000553450749 941887095 /nfs/dbraw/zinc/88/70/95/941887095.db2.gz MHULEGWNNNJQNU-UHFFFAOYSA-N 1 0 423.605 4.213 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)c1C ZINC000553951666 942005566 /nfs/dbraw/zinc/00/55/66/942005566.db2.gz NLYNTTLBSYMRHZ-RTWAWAEBSA-N 1 0 407.558 4.037 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000554634701 942181698 /nfs/dbraw/zinc/18/16/98/942181698.db2.gz XERCEUIZJYQQEP-GOSISDBHSA-N 1 0 415.557 4.300 20 30 HIEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000555220473 942434651 /nfs/dbraw/zinc/43/46/51/942434651.db2.gz XFETVGANQLSZLQ-OAQYLSRUSA-N 1 0 411.594 4.325 20 30 HIEDRO N#C[C@H]1CC[C@H]([NH+]2CCC(c3nc(-c4ccccc4Br)no3)CC2)C1 ZINC000555461273 942562712 /nfs/dbraw/zinc/56/27/12/942562712.db2.gz YGFVKRWPQOGEBK-ZFWWWQNUSA-N 1 0 401.308 4.371 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OC2CCCC2)cc1 ZINC000555934956 942775642 /nfs/dbraw/zinc/77/56/42/942775642.db2.gz KTHGKFWPMYYGFA-UHFFFAOYSA-N 1 0 420.557 4.153 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCc4sc(Br)cc43)C2=O)cc1 ZINC000556169597 942813427 /nfs/dbraw/zinc/81/34/27/942813427.db2.gz BSANNDHHWJEHLU-HZPDHXFCSA-N 1 0 416.344 4.155 20 30 HIEDRO C[C@@H]([NH2+]C1(c2cccc(C#N)c2)CC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000556599234 942911461 /nfs/dbraw/zinc/91/14/61/942911461.db2.gz ILLKYANFHYGQAJ-GOSISDBHSA-N 1 0 409.555 4.073 20 30 HIEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)C1 ZINC000556892077 942954429 /nfs/dbraw/zinc/95/44/29/942954429.db2.gz MVIFYDHYWRQJRC-KRWDZBQOSA-N 1 0 407.489 4.088 20 30 HIEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)C1 ZINC000556892079 942954474 /nfs/dbraw/zinc/95/44/74/942954474.db2.gz MVIFYDHYWRQJRC-QGZVFWFLSA-N 1 0 407.489 4.088 20 30 HIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000556949036 942976726 /nfs/dbraw/zinc/97/67/26/942976726.db2.gz QZWHPRDKNLWVPD-UHFFFAOYSA-N 1 0 420.532 4.457 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000557355878 943084288 /nfs/dbraw/zinc/08/42/88/943084288.db2.gz AGYOYKIFIQEODG-UHFFFAOYSA-N 1 0 405.542 4.287 20 30 HIEDRO C[C@@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC[N@@H+](C2CCC2)C1 ZINC000557835974 943308421 /nfs/dbraw/zinc/30/84/21/943308421.db2.gz BLMBDKJCUSAXGD-IBGZPJMESA-N 1 0 403.526 4.084 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CCCN(c3ccccc3F)CC2)c(-c2ccccc2)n1 ZINC000558413691 943552897 /nfs/dbraw/zinc/55/28/97/943552897.db2.gz HMBIFGHJNQEAFI-UHFFFAOYSA-N 1 0 403.505 4.315 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CC[C@@](CO)(Cc3ccc(F)cc3)C2)c(-c2ccccc2)n1 ZINC000558426354 943556807 /nfs/dbraw/zinc/55/68/07/943556807.db2.gz KCCYIGZRILLFSE-RUZDIDTESA-N 1 0 418.516 4.030 20 30 HIEDRO COc1ccc(C[N@H+](CCC(=O)Nc2ccccc2C#N)CC2CCC2)c(OC)c1 ZINC000558737374 943636177 /nfs/dbraw/zinc/63/61/77/943636177.db2.gz AUSMZUGYQXGUAK-UHFFFAOYSA-N 1 0 407.514 4.206 20 30 HIEDRO COc1ccc(-c2csc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c3ccc(C#N)cc3)n2)cc1 ZINC000558741610 943637486 /nfs/dbraw/zinc/63/74/86/943637486.db2.gz JHBAZLYZTUQUCM-LSDHHAIUSA-N 1 0 406.511 4.368 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000559004129 943799733 /nfs/dbraw/zinc/79/97/33/943799733.db2.gz KVQLJBRLAQEHNA-RBUKOAKNSA-N 1 0 413.541 4.198 20 30 HIEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000559003922 943800016 /nfs/dbraw/zinc/80/00/16/943800016.db2.gz JCWOINIKXRDCAB-FYYLOGMGSA-N 1 0 405.590 4.207 20 30 HIEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 ZINC000559056037 943817383 /nfs/dbraw/zinc/81/73/83/943817383.db2.gz LHVBEDBTUSTDFI-OAHLLOKOSA-N 1 0 416.447 4.134 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](C)c2cc[nH]c(=O)c2)cc1OCC ZINC000559321874 943896628 /nfs/dbraw/zinc/89/66/28/943896628.db2.gz DVSXVDIIIQEVFT-ZDUSSCGKSA-N 1 0 407.308 4.364 20 30 HIEDRO Cn1cc(C[NH2+]CCc2cnc(SC3CCCC3)nc2)c(-c2ccc(C#N)cc2)n1 ZINC000559351950 943905040 /nfs/dbraw/zinc/90/50/40/943905040.db2.gz LOPPYIPXLNFKFG-UHFFFAOYSA-N 1 0 418.570 4.116 20 30 HIEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000560181240 944189676 /nfs/dbraw/zinc/18/96/76/944189676.db2.gz WWZVJSZZCWZFQE-PZJWPPBQSA-N 1 0 417.347 4.053 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]C3CCN(c4nc5ccccc5s4)CC3)CC2)cc1 ZINC000560528340 944242512 /nfs/dbraw/zinc/24/25/12/944242512.db2.gz PXUHEKKRWVMMNY-UHFFFAOYSA-N 1 0 417.582 4.395 20 30 HIEDRO COc1ccc(CN2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cc1OCCCC#N ZINC000560554062 944252062 /nfs/dbraw/zinc/25/20/62/944252062.db2.gz QAUMDMNUFWWHOH-OAQYLSRUSA-N 1 0 407.558 4.474 20 30 HIEDRO N#Cc1cc(F)cc(C2(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)CC2)c1 ZINC000560579325 944261271 /nfs/dbraw/zinc/26/12/71/944261271.db2.gz GHYNVJDSOMCXBI-QPPBQGQZSA-N 1 0 417.528 4.242 20 30 HIEDRO N#CCc1ccc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000561076599 944430498 /nfs/dbraw/zinc/43/04/98/944430498.db2.gz ROMOWYBTOGESAT-AREMUKBSSA-N 1 0 424.548 4.455 20 30 HIEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000561127020 944467313 /nfs/dbraw/zinc/46/73/13/944467313.db2.gz NDFSSZKWYQIZBI-HDICACEKSA-N 1 0 416.997 4.197 20 30 HIEDRO N#CCCN(C(=O)C[NH+]1CCC(c2c[nH]c3ccc(F)cc32)CC1)c1ccccc1 ZINC000561961398 944877042 /nfs/dbraw/zinc/87/70/42/944877042.db2.gz JLEDBVGDEOAFNT-UHFFFAOYSA-N 1 0 404.489 4.433 20 30 HIEDRO C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000562024733 944899310 /nfs/dbraw/zinc/89/93/10/944899310.db2.gz MXHIRFIOYYXSBE-AVRDEDQJSA-N 1 0 417.557 4.430 20 30 HIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c(C(F)(F)F)c1 ZINC000562071549 944921645 /nfs/dbraw/zinc/92/16/45/944921645.db2.gz FHVYWGJXZGHFRN-QGZVFWFLSA-N 1 0 415.394 4.079 20 30 HIEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000562097608 944937422 /nfs/dbraw/zinc/93/74/22/944937422.db2.gz OGHAJQQOSLYBCD-GOSISDBHSA-N 1 0 407.518 4.379 20 30 HIEDRO CN(C(=O)c1ccc(NCc2cccc(OCCCC#N)c2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000564194418 945428558 /nfs/dbraw/zinc/42/85/58/945428558.db2.gz USBUROFWZGPPNN-HSZRJFAPSA-N 1 0 420.557 4.147 20 30 HIEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000564284671 945496681 /nfs/dbraw/zinc/49/66/81/945496681.db2.gz JOVZKMCNUHNDPX-FCEUIQTBSA-N 1 0 418.459 4.437 20 30 HIEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000564378633 945541764 /nfs/dbraw/zinc/54/17/64/945541764.db2.gz QHXSNNWYZVOYBN-UHFFFAOYSA-N 1 0 403.958 4.007 20 30 HIEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000564441479 945589985 /nfs/dbraw/zinc/58/99/85/945589985.db2.gz SISVOJVGSKMCBY-UHFFFAOYSA-N 1 0 419.485 4.324 20 30 HIEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)c1ccco1 ZINC000565265026 945796137 /nfs/dbraw/zinc/79/61/37/945796137.db2.gz NGGRVWOTLUFTCN-OXQOHEQNSA-N 1 0 407.470 4.182 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000565332141 945813862 /nfs/dbraw/zinc/81/38/62/945813862.db2.gz BLRBNGGBTPRLME-XMSQKQJNSA-N 1 0 410.583 4.335 20 30 HIEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000565615922 945855241 /nfs/dbraw/zinc/85/52/41/945855241.db2.gz ZXOHDZGDWLVJQO-HXOBKFHXSA-N 1 0 411.571 4.317 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000565767053 945880833 /nfs/dbraw/zinc/88/08/33/945880833.db2.gz KTCNGEIOSLUFJG-UTKZUKDTSA-N 1 0 420.513 4.450 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1cccc(OC(F)F)c1 ZINC000566381570 946015757 /nfs/dbraw/zinc/01/57/57/946015757.db2.gz LUPFQWVCMRRDQN-NEPJUHHUSA-N 1 0 405.470 4.388 20 30 HIEDRO OC[C@]1(Cc2ccc(F)cc2)CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000567646450 946390373 /nfs/dbraw/zinc/39/03/73/946390373.db2.gz PJFMWZKBINANHJ-NRFANRHFSA-N 1 0 407.407 4.003 20 30 HIEDRO CC[NH+](CC)CCOc1ccc(-c2noc([C@H](C#N)Cc3ccc(C#N)cc3)n2)cc1 ZINC000568325586 946508130 /nfs/dbraw/zinc/50/81/30/946508130.db2.gz MBFUGAWPZPSSFO-NRFANRHFSA-N 1 0 415.497 4.179 20 30 HIEDRO Cn1cc(-c2ccc3c(c2)C(C)(C)CN3CC2C[NH+](Cc3cccc(C#N)c3)C2)cn1 ZINC000568534848 946578217 /nfs/dbraw/zinc/57/82/17/946578217.db2.gz GHTRFLSYVFTGBN-UHFFFAOYSA-N 1 0 411.553 4.188 20 30 HIEDRO C[NH+](C)Cc1ccc(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)cn1 ZINC000569508242 946882444 /nfs/dbraw/zinc/88/24/44/946882444.db2.gz NSSHQUIXPXNGIC-UHFFFAOYSA-N 1 0 400.482 4.041 20 30 HIEDRO C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000569674796 946937971 /nfs/dbraw/zinc/93/79/71/946937971.db2.gz LEHYZBWJRBSFME-SFTDATJTSA-N 1 0 423.605 4.155 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1c2c(cc3c1CCC3)CCC2 ZINC000569700702 946939763 /nfs/dbraw/zinc/93/97/63/946939763.db2.gz FNHKBUZTQVDKKZ-UHFFFAOYSA-N 1 0 402.542 4.131 20 30 HIEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000569857617 947022040 /nfs/dbraw/zinc/02/20/40/947022040.db2.gz QWKNQESIGKOZOA-UHFFFAOYSA-N 1 0 420.460 4.082 20 30 HIEDRO CC(C)(C)c1cc(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)n(-c2ccccc2)n1 ZINC000570298925 947182205 /nfs/dbraw/zinc/18/22/05/947182205.db2.gz BHNVKKBWQTYVHS-UHFFFAOYSA-N 1 0 413.525 4.259 20 30 HIEDRO CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000571035450 947453110 /nfs/dbraw/zinc/45/31/10/947453110.db2.gz PVLYLXVQWRSPIW-UHFFFAOYSA-N 1 0 407.518 4.475 20 30 HIEDRO C=CCn1c(-c2cccnc2)nnc1N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000571365797 947623322 /nfs/dbraw/zinc/62/33/22/947623322.db2.gz SZTNIOYWCQJZAY-KNQAVFIVSA-N 1 0 402.546 4.188 20 30 HIEDRO C=CCn1c(N2CCC[N@@H+](C3CCCC3)CC2)nnc1C(F)(F)Oc1ccccc1 ZINC000571688297 947749169 /nfs/dbraw/zinc/74/91/69/947749169.db2.gz INDXTMQQHSIREL-UHFFFAOYSA-N 1 0 417.504 4.047 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000571890720 947807429 /nfs/dbraw/zinc/80/74/29/947807429.db2.gz XCFMYHFGPDKYQS-QFIPXVFZSA-N 1 0 418.589 4.341 20 30 HIEDRO CCN(CC)[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1cccc(OC)c1 ZINC000572744127 947997469 /nfs/dbraw/zinc/99/74/69/947997469.db2.gz FUOUMGXETYJYHM-VWLOTQADSA-N 1 0 406.574 4.208 20 30 HIEDRO C=CCn1c(Cc2ccccn2)nnc1N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000573047550 948069558 /nfs/dbraw/zinc/06/95/58/948069558.db2.gz QBYSFYGEVMEWDR-NZQKXSOJSA-N 1 0 416.573 4.112 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)[C@H]1COc2ccccc21)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000573224158 948110553 /nfs/dbraw/zinc/11/05/53/948110553.db2.gz UQBFJZNHWQBOSO-YZVOILCLSA-N 1 0 409.555 4.370 20 30 HIEDRO C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000573392077 948179233 /nfs/dbraw/zinc/17/92/33/948179233.db2.gz JXDTUCGASRLBRI-LJQANCHMSA-N 1 0 406.578 4.181 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000573627196 948256143 /nfs/dbraw/zinc/25/61/43/948256143.db2.gz AKQWYFUNYFHGLG-UHFFFAOYSA-N 1 0 402.523 4.157 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000573967008 948337607 /nfs/dbraw/zinc/33/76/07/948337607.db2.gz APWUGDGASQUVSR-UHFFFAOYSA-N 1 0 407.440 4.053 20 30 HIEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@@H]1c1ccccc1 ZINC000574006529 948348271 /nfs/dbraw/zinc/34/82/71/948348271.db2.gz SUUNPIRDSQUYRP-GOTSBHOMSA-N 1 0 413.481 4.312 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1OC ZINC000575164215 948613791 /nfs/dbraw/zinc/61/37/91/948613791.db2.gz ZRBDIVGHEPTLCU-QAPCUYQASA-N 1 0 409.368 4.081 20 30 HIEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164629055 719090120 /nfs/dbraw/zinc/09/01/20/719090120.db2.gz QPOYYEVVBRBVJC-SIKLNZKXSA-N 1 0 417.557 4.039 20 30 HIEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164731176 720488736 /nfs/dbraw/zinc/48/87/36/720488736.db2.gz WJTVZCVJIDBCAO-UXHICEINSA-N 1 0 403.917 4.317 20 30 HIEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc(CC#N)cc1Cl)CC2 ZINC001164838859 720723502 /nfs/dbraw/zinc/72/35/02/720723502.db2.gz JKBVGYCMRIYJLE-HXUWFJFHSA-N 1 0 410.949 4.061 20 30 HIEDRO CCCc1cc(C#N)c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)nc1Cl ZINC001164857223 720972247 /nfs/dbraw/zinc/97/22/47/720972247.db2.gz DRFRVBOJRKOVNG-OAHLLOKOSA-N 1 0 400.958 4.177 20 30 HIEDRO Cc1c(Cl)c(Cl)nc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N ZINC001164900530 721520810 /nfs/dbraw/zinc/52/08/10/721520810.db2.gz RVZVPCAJPAXLPE-ZBFHGGJFSA-N 1 0 421.303 4.050 20 30 HIEDRO Cc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(C#N)c(C)c1Cl ZINC001165028091 721801691 /nfs/dbraw/zinc/80/16/91/721801691.db2.gz YFWSTWCALQREMD-YYWHXJBOSA-N 1 0 409.965 4.355 20 30 HIEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc(C#N)c3ccccc3n2)CC1 ZINC001165023048 721843302 /nfs/dbraw/zinc/84/33/02/721843302.db2.gz WOKCMRNJYXQBMP-UHFFFAOYSA-N 1 0 416.525 4.224 20 30 HIEDRO N#Cc1cc(C(F)(F)N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)cc(Cl)n1 ZINC001164952916 722016962 /nfs/dbraw/zinc/01/69/62/722016962.db2.gz OUWLJFAHHVLETM-UHFFFAOYSA-N 1 0 417.891 4.039 20 30 HIEDRO CC1(C)CCCc2cc(C#N)c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)nc21 ZINC001164958887 722024599 /nfs/dbraw/zinc/02/45/99/722024599.db2.gz GPOMYBGBWLBYQN-UHFFFAOYSA-N 1 0 415.585 4.455 20 30 HIEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 ZINC000436147874 861447197 /nfs/dbraw/zinc/44/71/97/861447197.db2.gz DNTWFQZYJFYBOV-VWNXMTODSA-N 1 0 417.557 4.051 20 30 HIEDRO O=C(c1ccccc1)C(C(=S)Nc1ccc(F)c(Cl)c1)[n+]1cccc(CO)c1 ZINC000010756051 845702172 /nfs/dbraw/zinc/70/21/72/845702172.db2.gz FSLPWZCRRJHGEU-UHFFFAOYSA-O 1 0 415.897 4.310 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH+]2CCC(C(=O)c3ccccc3)CC2)sc2c1CCCC2 ZINC000010832964 845713179 /nfs/dbraw/zinc/71/31/79/845713179.db2.gz PBJREJGSSRGRRE-UHFFFAOYSA-N 1 0 421.566 4.422 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2c(C)cccc2C)[n+]2cccc(CO)c2)c(C)n1C ZINC000011153427 845760913 /nfs/dbraw/zinc/76/09/13/845760913.db2.gz CLGFASBFNZENJO-UHFFFAOYSA-O 1 0 422.574 4.089 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCOc3ccccc3F)sc2C1 ZINC000014079383 845924204 /nfs/dbraw/zinc/92/42/04/845924204.db2.gz NLOSGUHBHSYBBF-OAHLLOKOSA-N 1 0 415.534 4.223 20 30 HIEDRO CCc1cccc(NC(=S)C(C(=O)c2cccc([N+](=O)[O-])c2)[n+]2ccccc2)c1 ZINC000014872118 845988116 /nfs/dbraw/zinc/98/81/16/845988116.db2.gz QOAAINSIYYHDQV-UHFFFAOYSA-O 1 0 406.487 4.496 20 30 HIEDRO O=C(CN1CC[NH+](CCc2ccccc2)CC1)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000022242945 846549134 /nfs/dbraw/zinc/54/91/34/846549134.db2.gz NWFUVIXZXQDAKK-UHFFFAOYSA-N 1 0 424.545 4.398 20 30 HIEDRO C=CCNC(=S)C(C(=O)c1cc(C)n(C)c1C)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022687573 846603730 /nfs/dbraw/zinc/60/37/30/846603730.db2.gz DTFHMSVLABQWFL-UHFFFAOYSA-O 1 0 418.586 4.235 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1cccc([N+](=O)[O-])c1)C(=S)NCc1ccccc1 ZINC000022730651 846610713 /nfs/dbraw/zinc/61/07/13/846610713.db2.gz NTQVQRKHBLEJRD-UHFFFAOYSA-O 1 0 420.514 4.173 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccccc1Br)[n+]1ccc(CC)cc1 ZINC000022796714 846621970 /nfs/dbraw/zinc/62/19/70/846621970.db2.gz NGEOHMHNRPLUHO-UHFFFAOYSA-O 1 0 418.380 4.404 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1ccc2c(c1)CCCC2 ZINC000022798145 846622642 /nfs/dbraw/zinc/62/26/42/846622642.db2.gz PTDMWTBEDRZAJU-UHFFFAOYSA-O 1 0 405.587 4.446 20 30 HIEDRO CCc1sc(-c2nnc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)o2)cc1C ZINC000022850418 846628481 /nfs/dbraw/zinc/62/84/81/846628481.db2.gz UMWDVHMMLHKBSN-UHFFFAOYSA-N 1 0 421.570 4.249 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000024857480 846878360 /nfs/dbraw/zinc/87/83/60/846878360.db2.gz SBTSOCRKTKHVJF-GOSISDBHSA-N 1 0 411.571 4.002 20 30 HIEDRO N#Cc1ccc(CN2CCC[N@@H+](CCC(=O)Nc3cccc4ccccc43)CC2)cc1 ZINC000025933987 847060313 /nfs/dbraw/zinc/06/03/13/847060313.db2.gz FFVFPSSCJZBUQI-UHFFFAOYSA-N 1 0 412.537 4.248 20 30 HIEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000029787028 847619095 /nfs/dbraw/zinc/61/90/95/847619095.db2.gz XYLXJRZQQRGBQA-IBGZPJMESA-N 1 0 413.521 4.371 20 30 HIEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000029787026 847619173 /nfs/dbraw/zinc/61/91/73/847619173.db2.gz XYLXJRZQQRGBQA-LJQANCHMSA-N 1 0 413.521 4.371 20 30 HIEDRO COc1ccc([C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000045149163 848638620 /nfs/dbraw/zinc/63/86/20/848638620.db2.gz BJKQFIXCYMVEOU-HSZRJFAPSA-N 1 0 408.546 4.037 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)C(C)C ZINC000046905583 848955959 /nfs/dbraw/zinc/95/59/59/848955959.db2.gz FGOAUKHRSVUZDC-QFIPXVFZSA-N 1 0 407.562 4.060 20 30 HIEDRO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1 ZINC000054340381 849849624 /nfs/dbraw/zinc/84/96/24/849849624.db2.gz FPLOUOFTKCFWGD-SFHVURJKSA-N 1 0 409.530 4.007 20 30 HIEDRO CCCCOc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000054451789 849870253 /nfs/dbraw/zinc/87/02/53/849870253.db2.gz SNMHXWFIFFYKQL-UHFFFAOYSA-N 1 0 406.530 4.477 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccc([N+](=O)[O-])c1 ZINC000056196588 850279370 /nfs/dbraw/zinc/27/93/70/850279370.db2.gz RBBABJJZMGGJCU-KGLIPLIRSA-N 1 0 412.515 4.475 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000056201383 850281933 /nfs/dbraw/zinc/28/19/33/850281933.db2.gz KODSCDYXXDQLQI-ZWKOTPCHSA-N 1 0 400.482 4.210 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000056889895 850510127 /nfs/dbraw/zinc/51/01/27/850510127.db2.gz UZFOMTINWUNSNE-UHFFFAOYSA-N 1 0 411.521 4.197 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000058559589 850855526 /nfs/dbraw/zinc/85/55/26/850855526.db2.gz LNAMKBYWMASQRE-HNNXBMFYSA-N 1 0 412.456 4.275 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000061774835 851447870 /nfs/dbraw/zinc/44/78/70/851447870.db2.gz DNCZQDTZIKDFPM-UHFFFAOYSA-N 1 0 420.557 4.300 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000437056540 862251522 /nfs/dbraw/zinc/25/15/22/862251522.db2.gz KUWMCEXAODMZDJ-GOSISDBHSA-N 1 0 420.582 4.147 20 30 HIEDRO C=CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cccc(C#N)c1 ZINC000063300811 851654520 /nfs/dbraw/zinc/65/45/20/851654520.db2.gz WLYZYCZJBXDRBE-UHFFFAOYSA-N 1 0 404.539 4.387 20 30 HIEDRO CC(C)[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000437084501 862277803 /nfs/dbraw/zinc/27/78/03/862277803.db2.gz MFXGVQNZMSLEDG-WIXQSORDSA-N 1 0 406.486 4.477 20 30 HIEDRO CC(C)[N@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)Cc1ccc(C#N)cc1 ZINC000063750497 851754860 /nfs/dbraw/zinc/75/48/60/851754860.db2.gz ILEDZAKCBQEGPF-UHFFFAOYSA-N 1 0 419.447 4.026 20 30 HIEDRO COCC[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)Cc1ccc(C#N)cc1 ZINC000063753962 851755558 /nfs/dbraw/zinc/75/55/58/851755558.db2.gz LWXMHJVMEZYENP-UHFFFAOYSA-N 1 0 406.313 4.342 20 30 HIEDRO CC(C)OCc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000064543726 851924602 /nfs/dbraw/zinc/92/46/02/851924602.db2.gz GFPUBLWPBHMAOK-UHFFFAOYSA-N 1 0 406.530 4.223 20 30 HIEDRO C=CCc1cc(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc(OC)c1OC ZINC000065285138 852100349 /nfs/dbraw/zinc/10/03/49/852100349.db2.gz QBIVIJPJRNBORH-UHFFFAOYSA-N 1 0 423.557 4.028 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)CC2)cc1 ZINC000065439345 852133806 /nfs/dbraw/zinc/13/38/06/852133806.db2.gz AFVFBXBRPQPDBE-UHFFFAOYSA-N 1 0 420.410 4.456 20 30 HIEDRO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000065787689 852256113 /nfs/dbraw/zinc/25/61/13/852256113.db2.gz CZCGKDWULSFYHD-UHFFFAOYSA-N 1 0 415.493 4.330 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000065930486 852320517 /nfs/dbraw/zinc/32/05/17/852320517.db2.gz YASNRUQCQKRKAU-UHFFFAOYSA-N 1 0 414.918 4.132 20 30 HIEDRO C#CCOc1cccc(NC(=O)[C@]2(C(F)(F)F)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000078667608 852524986 /nfs/dbraw/zinc/52/49/86/852524986.db2.gz BRCXZOUTHFWXFP-NRFANRHFSA-N 1 0 402.416 4.092 20 30 HIEDRO COc1cccc([C@@H](CNC(=O)Nc2ccccc2SC[C@@H](C)C#N)[NH+](C)C)c1 ZINC000078714820 852525993 /nfs/dbraw/zinc/52/59/93/852525993.db2.gz WLBOQJQQTLOEJC-OXJNMPFZSA-N 1 0 412.559 4.371 20 30 HIEDRO Cc1cc(C)c(NC(=O)[C@H](C)ON=C(N)c2ccccc2C[NH+]2CCCCC2)c(C)c1 ZINC000097571492 852633198 /nfs/dbraw/zinc/63/31/98/852633198.db2.gz OPNNCYGMDNZHGE-FQEVSTJZSA-N 1 0 422.573 4.262 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000107602858 852781256 /nfs/dbraw/zinc/78/12/56/852781256.db2.gz BKALQCHXFGEZJW-UHFFFAOYSA-N 1 0 422.529 4.109 20 30 HIEDRO COc1cccc(C[C@@H]2CCC[N@@H+]2CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000108093928 852821877 /nfs/dbraw/zinc/82/18/77/852821877.db2.gz PGLAVFWVGGLHLR-QFIPXVFZSA-N 1 0 405.542 4.266 20 30 HIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000108467212 852853332 /nfs/dbraw/zinc/85/33/32/852853332.db2.gz NQLHCQMXQWSVAQ-DEOSSOPVSA-N 1 0 405.542 4.264 20 30 HIEDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000109257708 852943451 /nfs/dbraw/zinc/94/34/51/852943451.db2.gz HBKOHOXFKHVYOW-QFBILLFUSA-N 1 0 417.962 4.058 20 30 HIEDRO CC(C)c1cccc(NC(=O)CON=C(N)c2ccccc2C[NH+]2CCCCC2)c1 ZINC000110459088 853102155 /nfs/dbraw/zinc/10/21/55/853102155.db2.gz ULEIHOFCHXOUFW-UHFFFAOYSA-N 1 0 408.546 4.072 20 30 HIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000111218569 853225357 /nfs/dbraw/zinc/22/53/57/853225357.db2.gz ZBFQSONEUMIAAH-UHFFFAOYSA-N 1 0 413.521 4.361 20 30 HIEDRO CCc1c(C(=O)C(C(=S)NC(C)(C)C)[n+]2ccc(C)cc2)[nH]c(C)c1C(C)=O ZINC000120916605 853368873 /nfs/dbraw/zinc/36/88/73/853368873.db2.gz KCDJICUSPGWBBB-UHFFFAOYSA-O 1 0 400.568 4.011 20 30 HIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000148969614 853616027 /nfs/dbraw/zinc/61/60/27/853616027.db2.gz YAXXSNUOVMAIJS-OAQYLSRUSA-N 1 0 410.587 4.454 20 30 HIEDRO COc1cc(C[N@H+](CCC(=O)Nc2ccc(C#N)cc2)C2CC2)ccc1OC(F)F ZINC000150268277 853641890 /nfs/dbraw/zinc/64/18/90/853641890.db2.gz OYQMMSHAXMVOGM-UHFFFAOYSA-N 1 0 415.440 4.161 20 30 HIEDRO CCc1c(C(=O)C(C(=S)N[C@H](C)CC)[n+]2cccc(C)c2)[nH]c(C)c1C(C)=O ZINC000154474057 853644127 /nfs/dbraw/zinc/64/41/27/853644127.db2.gz GOIWHKNMDUUMGH-CQSZACIVSA-O 1 0 400.568 4.011 20 30 HIEDRO Cc1ccc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)N[C@@H](C)c2ccccc2)c1 ZINC000185580708 853669173 /nfs/dbraw/zinc/66/91/73/853669173.db2.gz UWMKSNMSSPXSFD-SFHVURJKSA-O 1 0 400.527 4.444 20 30 HIEDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000236997927 853949274 /nfs/dbraw/zinc/94/92/74/853949274.db2.gz GTQKDNRNWBZZCA-IBGZPJMESA-N 1 0 415.541 4.282 20 30 HIEDRO COc1ccccc1[C@@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)N1CCCCC1 ZINC000237210118 853983024 /nfs/dbraw/zinc/98/30/24/853983024.db2.gz BQDQUEJSRRFHHX-XMMPIXPASA-N 1 0 406.574 4.362 20 30 HIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)cc1 ZINC000237209484 853983407 /nfs/dbraw/zinc/98/34/07/853983407.db2.gz QUVAGRFGIOFMLS-GOSISDBHSA-N 1 0 400.473 4.006 20 30 HIEDRO COc1ccc(C[NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)cc1OCCCC#N ZINC000237331062 854007480 /nfs/dbraw/zinc/00/74/80/854007480.db2.gz AOTZETPGLKSRPV-GOSISDBHSA-N 1 0 401.457 4.024 20 30 HIEDRO C=CCOc1ccc(C[NH2+]CCC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000237562568 854055016 /nfs/dbraw/zinc/05/50/16/854055016.db2.gz XUHJVXUNYXZZQA-UHFFFAOYSA-N 1 0 403.320 4.441 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)c1 ZINC000237651234 854067773 /nfs/dbraw/zinc/06/77/73/854067773.db2.gz ZEDZAGZFTNAZOD-QHCPKHFHSA-N 1 0 413.949 4.186 20 30 HIEDRO Cc1ccc([C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)N2CCCC2)o1 ZINC000237650024 854067789 /nfs/dbraw/zinc/06/77/89/854067789.db2.gz QQUQWQKOIPZUCI-QFIPXVFZSA-N 1 0 403.530 4.292 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccnc(N3CCCCC3)c2)c(-c2ccccc2)n1 ZINC000237832564 854105551 /nfs/dbraw/zinc/10/55/51/854105551.db2.gz PFLNADHTVBJMPM-UHFFFAOYSA-N 1 0 400.530 4.139 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)c1 ZINC000237849252 854107458 /nfs/dbraw/zinc/10/74/58/854107458.db2.gz NRDVTIIUKQQTBF-GOSISDBHSA-N 1 0 401.457 4.339 20 30 HIEDRO Cc1ccc(SCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1C ZINC000248104961 854178793 /nfs/dbraw/zinc/17/87/93/854178793.db2.gz LBHQTGNRYYGZCN-UHFFFAOYSA-N 1 0 407.583 4.392 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3ncnc4sc5c(c43)CCCC5)CC2)cc1 ZINC000301080477 854290154 /nfs/dbraw/zinc/29/01/54/854290154.db2.gz JJHYYRHPUUJLQZ-UHFFFAOYSA-N 1 0 403.555 4.154 20 30 HIEDRO COc1ccc([C@H](CNc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)[NH+]2CCCC2)cc1 ZINC000301349814 854367388 /nfs/dbraw/zinc/36/73/88/854367388.db2.gz MCDJYHWXJOFCJU-QFIPXVFZSA-N 1 0 417.469 4.272 20 30 HIEDRO Cc1ccc[n+](C(C(=O)c2ccc3c(c2)OCCO3)C(=S)Nc2ccccc2F)c1 ZINC000301580714 854423472 /nfs/dbraw/zinc/42/34/72/854423472.db2.gz MEVWFQUSEMWRNJ-UHFFFAOYSA-O 1 0 423.489 4.244 20 30 HIEDRO N#Cc1ccc(C(F)(F)F)nc1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000301931735 854495949 /nfs/dbraw/zinc/49/59/49/854495949.db2.gz OWLUWTXROANONT-UHFFFAOYSA-N 1 0 415.463 4.116 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC3(CC2)Nc2ccccc2C(=O)N3Cc2ccco2)cc1 ZINC000302967178 854700784 /nfs/dbraw/zinc/70/07/84/854700784.db2.gz FRHAEGKRCVLXBG-UHFFFAOYSA-N 1 0 412.493 4.211 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](C)SCc2ncc(-c3ccc(Cl)cc3)o2)CC1 ZINC000303346527 854884857 /nfs/dbraw/zinc/88/48/57/854884857.db2.gz ZZDYXWOWRJWEGI-OAHLLOKOSA-N 1 0 419.978 4.383 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1cccc(F)c1 ZINC000303588797 855062069 /nfs/dbraw/zinc/06/20/69/855062069.db2.gz GZQYPHGYRGJWNC-XMMPIXPASA-N 1 0 417.484 4.309 20 30 HIEDRO Cc1ccc([C@@H](CNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[NH+](C)C)cc1 ZINC000303617149 855079800 /nfs/dbraw/zinc/07/98/00/855079800.db2.gz MJAOGWGXRPAJMT-RUZDIDTESA-N 1 0 413.521 4.478 20 30 HIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000303665071 855116896 /nfs/dbraw/zinc/11/68/96/855116896.db2.gz FAYLSIHNFKATIK-WMLDXEAASA-N 1 0 413.319 4.127 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1C ZINC000303667003 855118761 /nfs/dbraw/zinc/11/87/61/855118761.db2.gz WMSOWCSQNUMVKJ-GMAHTHKFSA-N 1 0 410.606 4.137 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](c2ccco2)N2CCCCC2)c1 ZINC000303703593 855142022 /nfs/dbraw/zinc/14/20/22/855142022.db2.gz JPCVWUHFECVLSN-LJQANCHMSA-N 1 0 400.523 4.031 20 30 HIEDRO C[C@@H]1C[C@H](N(C)C(=O)CSCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303738162 855163218 /nfs/dbraw/zinc/16/32/18/855163218.db2.gz HJFBNTITYCSOSB-AUSIDOKSSA-N 1 0 407.583 4.303 20 30 HIEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)c(OC)c1 ZINC000303740037 855165005 /nfs/dbraw/zinc/16/50/05/855165005.db2.gz YUECUFZMDKJVCH-SNYIIPAISA-N 1 0 413.583 4.342 20 30 HIEDRO COc1cccc([C@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)N2CCCC2)c1 ZINC000303773128 855188778 /nfs/dbraw/zinc/18/87/78/855188778.db2.gz FBEWSSQLPBQDNO-IBGZPJMESA-N 1 0 422.451 4.158 20 30 HIEDRO [NH2+]=C(NCc1cccc(NC(=O)C2CCC2)c1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303774926 855190560 /nfs/dbraw/zinc/19/05/60/855190560.db2.gz GKDBNRCNGMGUJY-UHFFFAOYSA-N 1 0 406.408 4.251 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2ccc(C(=O)N3CCCCC3)cc2)c1 ZINC000303783018 855196026 /nfs/dbraw/zinc/19/60/26/855196026.db2.gz NTEXTVKCGZUTCO-UHFFFAOYSA-N 1 0 424.545 4.037 20 30 HIEDRO CCCNC(=O)c1cccc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)c1 ZINC000303872243 855262807 /nfs/dbraw/zinc/26/28/07/855262807.db2.gz BXEIXLZFNWRMHE-CYBMUJFWSA-N 1 0 407.345 4.299 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCC2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1 ZINC000303879754 855266247 /nfs/dbraw/zinc/26/62/47/855266247.db2.gz JVJGJMYPMLGERH-UHFFFAOYSA-N 1 0 407.436 4.189 20 30 HIEDRO CCCOc1ccccc1Oc1ncccc1CNC(=[NH2+])NCCc1cccs1 ZINC000303885568 855269231 /nfs/dbraw/zinc/26/92/31/855269231.db2.gz JTWDQTTZNIYRES-UHFFFAOYSA-N 1 0 410.543 4.371 20 30 HIEDRO Cc1nccn1-c1ccc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)cn1 ZINC000303892659 855273305 /nfs/dbraw/zinc/27/33/05/855273305.db2.gz NVLUBLDPYAVHRR-LBPRGKRZSA-N 1 0 403.317 4.048 20 30 HIEDRO COc1ccc(CNC(=[NH2+])NCc2ccccc2COCc2ccccc2)cc1OC ZINC000303892979 855273508 /nfs/dbraw/zinc/27/35/08/855273508.db2.gz NWXJRHXFLDIFRO-UHFFFAOYSA-N 1 0 419.525 4.025 20 30 HIEDRO CC(C)CC(=O)Nc1cccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000303905243 855280259 /nfs/dbraw/zinc/28/02/59/855280259.db2.gz ZGROYKYOPUFULQ-UHFFFAOYSA-N 1 0 408.424 4.497 20 30 HIEDRO Cc1cc(C)n(-c2ccc(CNC(=[NH2+])N[C@H](C)c3ccc(Cl)cc3Cl)cn2)n1 ZINC000303907552 855281732 /nfs/dbraw/zinc/28/17/32/855281732.db2.gz WXGTYINYUUATFR-CQSZACIVSA-N 1 0 417.344 4.356 20 30 HIEDRO Cc1ccc(NC(=[NH2+])NCCC(=O)Nc2ccc(Br)cc2C)cc1C ZINC000303982542 855335809 /nfs/dbraw/zinc/33/58/09/855335809.db2.gz QHCSWHMDZVUWGP-UHFFFAOYSA-N 1 0 403.324 4.130 20 30 HIEDRO CC[C@H](C)C(=O)Nc1cccc(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)c1 ZINC000304487028 855356365 /nfs/dbraw/zinc/35/63/65/855356365.db2.gz LSSYSLJMWKCZBA-AWEZNQCLSA-N 1 0 422.451 4.174 20 30 HIEDRO Cc1ccc(Br)cc1NC(=O)CNC(=[NH2+])Nc1cccc2c1CCCC2 ZINC000304648658 855357539 /nfs/dbraw/zinc/35/75/39/855357539.db2.gz FYHLXMCBDBYSGQ-UHFFFAOYSA-N 1 0 415.335 4.002 20 30 HIEDRO C[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)c1nc(-c2ccccc2)no1 ZINC000305670089 855361158 /nfs/dbraw/zinc/36/11/58/855361158.db2.gz WPIVPZYQJZOEDG-LBPRGKRZSA-N 1 0 405.380 4.166 20 30 HIEDRO N#Cc1nc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)ccc1C(F)(F)F ZINC000409721011 855620312 /nfs/dbraw/zinc/62/03/12/855620312.db2.gz KHYNQDWTILQAAX-UHFFFAOYSA-N 1 0 400.448 4.465 20 30 HIEDRO CCN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000409814872 855668342 /nfs/dbraw/zinc/66/83/42/855668342.db2.gz YXRYASIZHQNAGL-WMZHIEFXSA-N 1 0 413.525 4.042 20 30 HIEDRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC000410371976 855958001 /nfs/dbraw/zinc/95/80/01/855958001.db2.gz LVBBWDFANMADAT-HXUWFJFHSA-N 1 0 407.558 4.348 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C)CC2(O)CCCCCC2)c1C#N ZINC000426205048 856175103 /nfs/dbraw/zinc/17/51/03/856175103.db2.gz JFURYVQYUNYLFC-UHFFFAOYSA-N 1 0 400.567 4.047 20 30 HIEDRO Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000426385051 856267737 /nfs/dbraw/zinc/26/77/37/856267737.db2.gz KIJYEYCQYUEYNP-SFHVURJKSA-N 1 0 401.432 4.111 20 30 HIEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426840421 856508063 /nfs/dbraw/zinc/50/80/63/856508063.db2.gz NTQVQDCJGQYMSR-QFIPXVFZSA-N 1 0 405.889 4.052 20 30 HIEDRO C=CCC[C@@H](C(=O)N[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1)c1ccccc1 ZINC000427140641 856665081 /nfs/dbraw/zinc/66/50/81/856665081.db2.gz SYCQGGHFPYOLTI-XUZZJYLKSA-N 1 0 408.542 4.144 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CCCc4ncc(C(F)(F)F)cc43)C2=O)cc1 ZINC000427884297 856992567 /nfs/dbraw/zinc/99/25/67/856992567.db2.gz HUCWJIBSWFCDHQ-PMACEKPBSA-N 1 0 414.431 4.135 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000429069935 857492379 /nfs/dbraw/zinc/49/23/79/857492379.db2.gz SHPQJKWOYRKPCQ-MAUKXSAKSA-N 1 0 414.456 4.192 20 30 HIEDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)[C@@H](C)[C@H]1OC ZINC000429285654 857590092 /nfs/dbraw/zinc/59/00/92/857590092.db2.gz OTPIXLQETLGHRK-IMAQQZIHSA-N 1 0 403.592 4.306 20 30 HIEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C ZINC000429289008 857592162 /nfs/dbraw/zinc/59/21/62/857592162.db2.gz BONBYUGAUIJKQV-QKMWGZLOSA-N 1 0 406.368 4.105 20 30 HIEDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)[C@H](C)[C@H]1OC ZINC000429298777 857595973 /nfs/dbraw/zinc/59/59/73/857595973.db2.gz XUJXVCKDOQDSOZ-VAKZPMALSA-N 1 0 403.592 4.449 20 30 HIEDRO CC(C)C[C@@H]1C[N@H+](CCCc2ccccc2)CCN1CC(=O)Nc1sccc1C#N ZINC000429400480 857643984 /nfs/dbraw/zinc/64/39/84/857643984.db2.gz FFIRHDZXHAVGOH-JOCHJYFZSA-N 1 0 424.614 4.223 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H]1[C@H]3CCO[C@H]3C13CCCC3)CCCCC2 ZINC000429724948 857851041 /nfs/dbraw/zinc/85/10/41/857851041.db2.gz XZOCTSFQTHRTHX-MAODMQOUSA-N 1 0 413.587 4.155 20 30 HIEDRO Cc1cnccc1OC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000429727292 857852393 /nfs/dbraw/zinc/85/23/93/857852393.db2.gz WLMUEDZDQIICBG-UHFFFAOYSA-N 1 0 424.570 4.074 20 30 HIEDRO COc1ccccc1-c1ncc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cn1 ZINC000430236611 858092136 /nfs/dbraw/zinc/09/21/36/858092136.db2.gz NYYDCMMXZIAKFO-UHFFFAOYSA-N 1 0 400.482 4.067 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccc(Br)c(C)c2)CC1 ZINC000430567284 858221899 /nfs/dbraw/zinc/22/18/99/858221899.db2.gz UQUYNTDRJNFXEE-IBGZPJMESA-N 1 0 406.368 4.254 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCSC2(CCCCC2)C1 ZINC000430773546 858299183 /nfs/dbraw/zinc/29/91/83/858299183.db2.gz VECULYSGGGVGKA-SFHVURJKSA-N 1 0 401.576 4.082 20 30 HIEDRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(COc3ccccc3C#N)o2)CC1 ZINC000430903426 858362647 /nfs/dbraw/zinc/36/26/47/858362647.db2.gz IOLYFTWEHCIXFL-UHFFFAOYSA-N 1 0 409.530 4.218 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)c1cc(C(=O)OC)c(C)o1 ZINC000430967503 858384898 /nfs/dbraw/zinc/38/48/98/858384898.db2.gz SUGKORUNQVKFJB-MRXNPFEDSA-N 1 0 418.563 4.034 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[C@@H](c2ccccc2F)C1 ZINC000431060429 858426921 /nfs/dbraw/zinc/42/69/21/858426921.db2.gz YMEWLYDJUVNILY-NHCUHLMSSA-N 1 0 408.521 4.107 20 30 HIEDRO N#CCC1(CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CC1 ZINC000431154361 858474031 /nfs/dbraw/zinc/47/40/31/858474031.db2.gz YWPGXCXHMWSUDU-FCHUYYIVSA-N 1 0 407.945 4.366 20 30 HIEDRO C[C@H]1C[C@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000431209115 858504062 /nfs/dbraw/zinc/50/40/62/858504062.db2.gz PYVGYWOEICSXOC-MAUKXSAKSA-N 1 0 414.456 4.334 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431698036 858746375 /nfs/dbraw/zinc/74/63/75/858746375.db2.gz QYONVHYWZFNVII-HYBUGGRVSA-N 1 0 402.542 4.309 20 30 HIEDRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 ZINC000467581443 881397245 /nfs/dbraw/zinc/39/72/45/881397245.db2.gz YLTHLTFPKMMHHZ-UHFFFAOYSA-N 1 0 419.569 4.441 20 30 HIEDRO N#CCCC[C@H]([NH2+]C[C@@H](O)COc1cccc(Br)c1)c1ccccc1 ZINC000433010566 859475880 /nfs/dbraw/zinc/47/58/80/859475880.db2.gz CNCRIWRSOAOMKY-QUCCMNQESA-N 1 0 403.320 4.214 20 30 HIEDRO N#CCCC[C@@H]([NH2+]CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000433011032 859476048 /nfs/dbraw/zinc/47/60/48/859476048.db2.gz MJWPWSVZJBBZIE-FGZHOGPDSA-N 1 0 419.525 4.146 20 30 HIEDRO COc1cc(OC)c(NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)cc1Cl ZINC000433013685 859478679 /nfs/dbraw/zinc/47/86/79/859478679.db2.gz OXEJHSYALFZZJI-QGZVFWFLSA-N 1 0 401.894 4.320 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@H]3CCOC[C@@H]3C)sc2C1 ZINC000433161760 859546946 /nfs/dbraw/zinc/54/69/46/859546946.db2.gz YIUNVPMCSYRRMA-DAYGRLMNSA-N 1 0 403.592 4.114 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C#N)c1C ZINC000433164421 859549037 /nfs/dbraw/zinc/54/90/37/859549037.db2.gz RJYXWBVFMGUQHL-IBGZPJMESA-N 1 0 420.557 4.083 20 30 HIEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C#N)c1C ZINC000433164422 859549256 /nfs/dbraw/zinc/54/92/56/859549256.db2.gz RJYXWBVFMGUQHL-LJQANCHMSA-N 1 0 420.557 4.083 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000433296445 859622583 /nfs/dbraw/zinc/62/25/83/859622583.db2.gz IHHAVGUJTPCKGZ-JPYJTQIMSA-N 1 0 423.582 4.370 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCc2ccc(Br)s2)c(-c2ccncc2)n1 ZINC000433306244 859628763 /nfs/dbraw/zinc/62/87/63/859628763.db2.gz QIKOZFLFMZIVRX-UHFFFAOYSA-N 1 0 416.348 4.015 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCc2c[nH]c3ccc(Cl)cc23)c(-c2ccncc2)n1 ZINC000433310661 859631327 /nfs/dbraw/zinc/63/13/27/859631327.db2.gz JBXHNRZPBPSUPP-UHFFFAOYSA-N 1 0 404.905 4.326 20 30 HIEDRO Cc1ccc(-c2nc(CC[NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)co2)cc1 ZINC000433310725 859632188 /nfs/dbraw/zinc/63/21/88/859632188.db2.gz DJTWKJMGGKHGEM-UHFFFAOYSA-N 1 0 412.497 4.155 20 30 HIEDRO C[C@@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCN1Cc1ccccc1 ZINC000433329266 859646648 /nfs/dbraw/zinc/64/66/48/859646648.db2.gz GDLPKMXIEANPIN-HYBUGGRVSA-N 1 0 414.557 4.001 20 30 HIEDRO N#CCCn1cc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c(-c2ccncc2)n1 ZINC000433333131 859648206 /nfs/dbraw/zinc/64/82/06/859648206.db2.gz FMVYAISYONEACA-GOSISDBHSA-N 1 0 424.911 4.020 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCc2nc3cc(Cl)ccc3s2)c(-c2ccncc2)n1 ZINC000433336799 859650670 /nfs/dbraw/zinc/65/06/70/859650670.db2.gz QSFBFKFWWPWELG-UHFFFAOYSA-N 1 0 422.945 4.454 20 30 HIEDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[N@@H+]1Cc1ccccc1 ZINC000467690248 881483506 /nfs/dbraw/zinc/48/35/06/881483506.db2.gz COCQLABXQKSCOL-XMSQKQJNSA-N 1 0 412.493 4.138 20 30 HIEDRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000467705861 881501535 /nfs/dbraw/zinc/50/15/35/881501535.db2.gz SKQGPVCAPOOGEN-GOSISDBHSA-N 1 0 418.607 4.436 20 30 HIEDRO C[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C1CCN(c2cnccn2)CC1 ZINC000434738362 860477222 /nfs/dbraw/zinc/47/72/22/860477222.db2.gz RXRWZOMDLSSYPR-UHFFFAOYSA-N 1 0 411.553 4.277 20 30 HIEDRO CCCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)cc1OC ZINC000434860437 860526493 /nfs/dbraw/zinc/52/64/93/860526493.db2.gz ZVUGDHHODLSDOC-CRAIPNDOSA-N 1 0 413.543 4.263 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@@H]2C)c1C#N ZINC000434897207 860542537 /nfs/dbraw/zinc/54/25/37/860542537.db2.gz UYLXEHLBWYVGIG-SIKLNZKXSA-N 1 0 416.525 4.434 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH+]2CCC(OCC3CCCC3)CC2)sc2c1CCCC2 ZINC000434909830 860550670 /nfs/dbraw/zinc/55/06/70/860550670.db2.gz QSQLUFBQWPONTG-UHFFFAOYSA-N 1 0 415.603 4.498 20 30 HIEDRO Cc1nc(COc2ccc(CN3CCN([C@H](C#N)c4ccccc4)CC3)cc2)cs1 ZINC000434987726 860587380 /nfs/dbraw/zinc/58/73/80/860587380.db2.gz VMVHTJUVZVIRPE-XMMPIXPASA-N 1 0 418.566 4.413 20 30 HIEDRO COc1ccc(C[C@H]2CCC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)cc1 ZINC000435123074 860650875 /nfs/dbraw/zinc/65/08/75/860650875.db2.gz DZKHVZMAAQGJES-OAQYLSRUSA-N 1 0 415.541 4.322 20 30 HIEDRO N#CCCn1cc(C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)c(-c2ccncc2)n1 ZINC000435131276 860655221 /nfs/dbraw/zinc/65/52/21/860655221.db2.gz CNXAQPFVHPCXIW-DEOSSOPVSA-N 1 0 415.541 4.121 20 30 HIEDRO CC1CCC(OC2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC2)CC1 ZINC000435135827 860658244 /nfs/dbraw/zinc/65/82/44/860658244.db2.gz VHSMJMAAACJNTJ-UHFFFAOYSA-N 1 0 407.562 4.418 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)cc1C#N ZINC000435540845 860855011 /nfs/dbraw/zinc/85/50/11/860855011.db2.gz DMDRCVFSWXRAJU-UHFFFAOYSA-N 1 0 416.472 4.219 20 30 HIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000435739246 861020264 /nfs/dbraw/zinc/02/02/64/861020264.db2.gz FQMJWGLRVFGYAU-WZONZLPQSA-N 1 0 412.486 4.253 20 30 HIEDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[N@@H+]1C ZINC000437744598 863069595 /nfs/dbraw/zinc/06/95/95/863069595.db2.gz KQTAQAASCIGCEO-AVRDEDQJSA-N 1 0 406.530 4.278 20 30 HIEDRO N#Cc1ccccc1OCc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)o1 ZINC000437861451 863220824 /nfs/dbraw/zinc/22/08/24/863220824.db2.gz BJUXGZIVIYLIIG-HXUWFJFHSA-N 1 0 407.514 4.257 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000437960974 863331610 /nfs/dbraw/zinc/33/16/10/863331610.db2.gz GVXLXJNCVRFSQW-GHTZIAJQSA-N 1 0 406.530 4.392 20 30 HIEDRO Cc1ccc(NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000438275896 863745174 /nfs/dbraw/zinc/74/51/74/863745174.db2.gz KGGIJZAEYKDSPG-IRLDBZIGSA-N 1 0 406.530 4.239 20 30 HIEDRO C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccccc2SCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000438456839 863881102 /nfs/dbraw/zinc/88/11/02/863881102.db2.gz QNINDOOKPCRZAN-TZIWHRDSSA-N 1 0 422.598 4.226 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000438485595 863900300 /nfs/dbraw/zinc/90/03/00/863900300.db2.gz VNQXPURWEAQQNL-UHFFFAOYSA-N 1 0 414.509 4.407 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(CC(F)(F)F)c1 ZINC000438528832 863953408 /nfs/dbraw/zinc/95/34/08/863953408.db2.gz NKNJJWUYKOYCCQ-UHFFFAOYSA-N 1 0 404.436 4.259 20 30 HIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000438595521 864023081 /nfs/dbraw/zinc/02/30/81/864023081.db2.gz IZGXHJXJYGTFQD-UHFFFAOYSA-N 1 0 420.557 4.305 20 30 HIEDRO C=CCOc1cccc(NC(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000438652279 864094676 /nfs/dbraw/zinc/09/46/76/864094676.db2.gz AQZWLUUWMQEBET-SFHVURJKSA-N 1 0 407.514 4.061 20 30 HIEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N[C@@H](CCC#N)c3ccccc3)cc2)C[C@H](C)O1 ZINC000438843792 864337642 /nfs/dbraw/zinc/33/76/42/864337642.db2.gz WQUCYCRRFRBNTL-ROKPMTFOSA-N 1 0 420.557 4.140 20 30 HIEDRO CCOC(=O)c1c(NC(=O)c2cc(C#N)oc2C)sc2c1CC(C)(C)[NH2+]C2(C)C ZINC000438996815 864453322 /nfs/dbraw/zinc/45/33/22/864453322.db2.gz FKWCNBKEUVLKBW-UHFFFAOYSA-N 1 0 415.515 4.110 20 30 HIEDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000439019921 864472190 /nfs/dbraw/zinc/47/21/90/864472190.db2.gz FPPGOZGZUBUQLF-DEOSSOPVSA-N 1 0 421.541 4.063 20 30 HIEDRO Cc1cc(C#N)ccc1C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000439031581 864487224 /nfs/dbraw/zinc/48/72/24/864487224.db2.gz ZNRXEDYXUPIGMS-UHFFFAOYSA-N 1 0 401.432 4.234 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)c1ccc(SC)cc1 ZINC000439479626 864846847 /nfs/dbraw/zinc/84/68/47/864846847.db2.gz VRQPWHBWICWQTO-MRXNPFEDSA-N 1 0 414.575 4.024 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000439500334 864854970 /nfs/dbraw/zinc/85/49/70/864854970.db2.gz QIKMZHJFLMAGAS-UHFFFAOYSA-N 1 0 406.530 4.395 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(F)c(Br)cc2Cl)CC1 ZINC000439622026 864945803 /nfs/dbraw/zinc/94/58/03/864945803.db2.gz DTJPGSQEKPWDOO-UHFFFAOYSA-N 1 0 404.711 4.404 20 30 HIEDRO CCCc1c(NC(=O)NCCCC[NH+]2CCC(C)CC2)cnn1-c1cccc(C#N)c1 ZINC000439666448 864997161 /nfs/dbraw/zinc/99/71/61/864997161.db2.gz VRGOBJXXTBVVJS-UHFFFAOYSA-N 1 0 422.577 4.330 20 30 HIEDRO CCCc1c(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cnn1-c1cccc(C#N)c1 ZINC000439696686 865033995 /nfs/dbraw/zinc/03/39/95/865033995.db2.gz REUUDMWKAQNFAQ-UHFFFAOYSA-N 1 0 420.561 4.225 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000440164265 865392428 /nfs/dbraw/zinc/39/24/28/865392428.db2.gz XTZBJFXPHPPHLT-KRWDZBQOSA-N 1 0 412.361 4.197 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000440180926 865405174 /nfs/dbraw/zinc/40/51/74/865405174.db2.gz ASHPLOCKPBAECT-IBGZPJMESA-N 1 0 408.546 4.013 20 30 HIEDRO Cc1oc(NC(=O)C[NH2+]C(C)(C)Cc2ccc(Br)cc2)c(C#N)c1C ZINC000440327071 865603644 /nfs/dbraw/zinc/60/36/44/865603644.db2.gz NRUYKHIITBQZPN-UHFFFAOYSA-N 1 0 404.308 4.080 20 30 HIEDRO CC(C)c1ncc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cn1 ZINC000440487151 865791929 /nfs/dbraw/zinc/79/19/29/865791929.db2.gz OBULNNYUGNNKQP-OAHLLOKOSA-N 1 0 411.575 4.119 20 30 HIEDRO COc1cc(C[NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)ccc1C#N ZINC000440608502 865835616 /nfs/dbraw/zinc/83/56/16/865835616.db2.gz AVUBLKKJTFQPGX-OAHLLOKOSA-N 1 0 410.827 4.003 20 30 HIEDRO N#Cc1cnc2c(Br)cccc2c1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000440648904 865856209 /nfs/dbraw/zinc/85/62/09/865856209.db2.gz PHUFHOGHCYOOPL-UHFFFAOYSA-N 1 0 422.330 4.340 20 30 HIEDRO CC[C@@H](C)[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000440808234 865925808 /nfs/dbraw/zinc/92/58/08/865925808.db2.gz PVXOOBZSQAXEEF-KOSHJBKYSA-N 1 0 420.557 4.310 20 30 HIEDRO C[N@@H+]1CC[C@H](CNC(=O)NCC2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000440982182 866064706 /nfs/dbraw/zinc/06/47/06/866064706.db2.gz ALJJHKVLKSEMAP-RLFPARDHSA-N 1 0 406.933 4.101 20 30 HIEDRO CCOc1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCCC3)C2 ZINC000441075418 866168058 /nfs/dbraw/zinc/16/80/58/866168058.db2.gz AZCORWMPUYFENG-UHFFFAOYSA-N 1 0 409.555 4.284 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)cc1 ZINC000441103677 866201737 /nfs/dbraw/zinc/20/17/37/866201737.db2.gz LBRUWVQNYJDTGE-CQSZACIVSA-N 1 0 408.449 4.242 20 30 HIEDRO CCOc1cc(CN(C)Cc2nnc(-c3ccc(C#N)cc3)o2)ccc1OC(F)F ZINC000441177157 866255546 /nfs/dbraw/zinc/25/55/46/866255546.db2.gz RBHNSGUQJJNQDJ-UHFFFAOYSA-N 1 0 414.412 4.240 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2ccncc2OCC(F)F)c1 ZINC000441353005 866422097 /nfs/dbraw/zinc/42/20/97/866422097.db2.gz LVPDWZQGRPFJTD-UHFFFAOYSA-N 1 0 409.436 4.466 20 30 HIEDRO C=CC[N@@H+](Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)CC1CCCCC1 ZINC000441394145 866465644 /nfs/dbraw/zinc/46/56/44/866465644.db2.gz OCFRDKMITGIIKN-UHFFFAOYSA-N 1 0 401.507 4.331 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H](CCO)c1ccccc1 ZINC000441404816 866479605 /nfs/dbraw/zinc/47/96/05/866479605.db2.gz OGMBPFUUISXABQ-FQEVSTJZSA-N 1 0 411.571 4.273 20 30 HIEDRO CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000441548328 866624853 /nfs/dbraw/zinc/62/48/53/866624853.db2.gz YVMKQJJHNUIYOE-XMSQKQJNSA-N 1 0 401.514 4.266 20 30 HIEDRO C=CCN(CCc1ccco1)C(=O)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000441861039 866926312 /nfs/dbraw/zinc/92/63/12/866926312.db2.gz TVRJRDVDGIBHKM-UHFFFAOYSA-N 1 0 423.557 4.240 20 30 HIEDRO CC[N@H+](Cc1c[nH]c2ccccc12)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000442886497 867717975 /nfs/dbraw/zinc/71/79/75/867717975.db2.gz SJJNASSNKDFCRA-GOSISDBHSA-N 1 0 404.514 4.334 20 30 HIEDRO C[N@H+](Cc1ccco1)Cc1ccccc1CNc1ccc(C(F)(F)F)c(C#N)n1 ZINC000443524383 868082283 /nfs/dbraw/zinc/08/22/83/868082283.db2.gz SXOYSBHTOBCZKW-UHFFFAOYSA-N 1 0 400.404 4.809 20 30 HIEDRO CC1CC[NH+](C2CCC(NC(=O)Nc3cc(C#N)ccc3OC(F)F)CC2)CC1 ZINC000443860350 868393491 /nfs/dbraw/zinc/39/34/91/868393491.db2.gz ZEWUWKHIBPSMQA-UHFFFAOYSA-N 1 0 406.477 4.324 20 30 HIEDRO CC[N@H+](CCC(=O)Nc1cccc(C#N)c1)Cc1cc(Br)ccc1F ZINC000444080511 868605203 /nfs/dbraw/zinc/60/52/03/868605203.db2.gz SBJNRZMFCDPXQW-UHFFFAOYSA-N 1 0 404.283 4.311 20 30 HIEDRO CC1CCC([N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]2CCCO2)CC1 ZINC000444199146 868661843 /nfs/dbraw/zinc/66/18/43/868661843.db2.gz REBHSYQBNPTGBM-DAWZGUTISA-N 1 0 415.603 4.497 20 30 HIEDRO CC1CCC([N@@H+](CC(=O)Nc2ccccc2SCC#N)C[C@@H]2CCCO2)CC1 ZINC000444210155 868668414 /nfs/dbraw/zinc/66/84/14/868668414.db2.gz DWDMFVSXPZCEMO-ACBHZAAOSA-N 1 0 401.576 4.300 20 30 HIEDRO Cc1ccc([C@@H]2CCC[C@H]2[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000444248086 868695564 /nfs/dbraw/zinc/69/55/64/868695564.db2.gz VWEVALJHIUZIOS-XZOQPEGZSA-N 1 0 413.525 4.259 20 30 HIEDRO CS[C@@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1[NH+]1CCCC1 ZINC000444684878 868958629 /nfs/dbraw/zinc/95/86/29/868958629.db2.gz LYXJMAZDKDLXAB-DNQXCXABSA-N 1 0 405.611 4.398 20 30 HIEDRO C=CC[C@H]1[N@H+](Cc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)CCCC1(C)C ZINC000444777196 868998260 /nfs/dbraw/zinc/99/82/60/868998260.db2.gz FEJLMLCIUJUUEF-GOSISDBHSA-N 1 0 401.507 4.329 20 30 HIEDRO C[C@@H](NC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000444977315 869138306 /nfs/dbraw/zinc/13/83/06/869138306.db2.gz SQBPDXCAVKFWCG-GOSISDBHSA-N 1 0 402.542 4.460 20 30 HIEDRO CSc1cccc(N(C(=O)c2c(F)cc(C#N)cc2F)C2CC[NH+](C)CC2)c1 ZINC000445800727 869829757 /nfs/dbraw/zinc/82/97/57/869829757.db2.gz AEUFSWHCCJYPJB-UHFFFAOYSA-N 1 0 401.482 4.299 20 30 HIEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)cc1 ZINC000446004738 869969525 /nfs/dbraw/zinc/96/95/25/869969525.db2.gz WIBOWFLKYJEEJL-OZOXKJRCSA-N 1 0 404.432 4.243 20 30 HIEDRO CC[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1ccc(C#N)cc1 ZINC000447531261 871395582 /nfs/dbraw/zinc/39/55/82/871395582.db2.gz QMXKPFNEFFNNQB-LJQANCHMSA-N 1 0 400.320 4.182 20 30 HIEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3cnn(CCC#N)c3-c3ccccc3)cccc21 ZINC000447726812 871672946 /nfs/dbraw/zinc/67/29/46/871672946.db2.gz IEWCRQIKPSVXSX-OAQYLSRUSA-N 1 0 415.497 4.101 20 30 HIEDRO C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)c3ccccc3-c3ccccc3C#N)nc2)C1 ZINC000448182776 872060383 /nfs/dbraw/zinc/06/03/83/872060383.db2.gz YXMOIJDKMYVPRI-FQEVSTJZSA-N 1 0 411.509 4.013 20 30 HIEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)s2)cc1 ZINC000448225644 872137929 /nfs/dbraw/zinc/13/79/29/872137929.db2.gz OGCMCOVIKGPIIS-WIYYLYMNSA-N 1 0 421.570 4.086 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1C ZINC000448283086 872208739 /nfs/dbraw/zinc/20/87/39/872208739.db2.gz XAXRKLSHORMBPH-OAQYLSRUSA-N 1 0 421.589 4.178 20 30 HIEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000448451761 872398131 /nfs/dbraw/zinc/39/81/31/872398131.db2.gz ZOEMJCKGUMBNJS-SQJMNOBHSA-N 1 0 415.537 4.226 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460382657 873025246 /nfs/dbraw/zinc/02/52/46/873025246.db2.gz CIJANRRALXIPII-WSTZPKSXSA-N 1 0 413.541 4.196 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460545961 873250018 /nfs/dbraw/zinc/25/00/18/873250018.db2.gz JIZORQMOUONNEQ-OAQYLSRUSA-N 1 0 409.578 4.196 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460546634 873251255 /nfs/dbraw/zinc/25/12/55/873251255.db2.gz VMSVSUAUGNEHQG-AEFFLSMTSA-N 1 0 415.969 4.246 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460778949 873634211 /nfs/dbraw/zinc/63/42/11/873634211.db2.gz OEAFMRKLWAHSKQ-WMZOPIPTSA-N 1 0 417.504 4.186 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000460783558 873640520 /nfs/dbraw/zinc/64/05/20/873640520.db2.gz PDSYNSLMTDTJAX-BZSNNMDCSA-N 1 0 401.530 4.052 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460793540 873660732 /nfs/dbraw/zinc/66/07/32/873660732.db2.gz LUSDQABAFIQYNT-CEXWTWQISA-N 1 0 413.541 4.196 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC(CC)(CC)c2ccc(OC)c(OC)c2)CC1 ZINC000460912814 873818829 /nfs/dbraw/zinc/81/88/29/873818829.db2.gz OJPIIMIDACPHAJ-UHFFFAOYSA-N 1 0 417.594 4.101 20 30 HIEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460961155 873857575 /nfs/dbraw/zinc/85/75/75/873857575.db2.gz UYBQRUUCMKHWKS-FCEUIQTBSA-N 1 0 409.578 4.195 20 30 HIEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 ZINC000461275022 874284359 /nfs/dbraw/zinc/28/43/59/874284359.db2.gz BPOHFRDNFRPQDC-UHFFFAOYSA-N 1 0 422.492 4.023 20 30 HIEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@@H]1C ZINC000461492674 874560983 /nfs/dbraw/zinc/56/09/83/874560983.db2.gz YUODDBGORNPCFV-PXNSSMCTSA-N 1 0 420.586 4.236 20 30 HIEDRO COc1c(C)cnc(C[NH+]2CCC(N(C)c3nc(C)c(C#N)cc3Cl)CC2)c1C ZINC000461782121 874904919 /nfs/dbraw/zinc/90/49/19/874904919.db2.gz YWRCZSMPUPKJNO-UHFFFAOYSA-N 1 0 413.953 4.036 20 30 HIEDRO CC[NH+]1CCN(c2ccc(C(=O)Nc3ccccc3SC[C@@H](C)C#N)cc2)CC1 ZINC000468865597 882897363 /nfs/dbraw/zinc/89/73/63/882897363.db2.gz FVVWQPHDSJTSBU-SFHVURJKSA-N 1 0 408.571 4.333 20 30 HIEDRO COc1ccc2c(c1)C[N@@H+](C[C@H](O)COc1ccc(C#N)cc1)[C@@H](c1ccccc1)C2 ZINC000468916164 882975632 /nfs/dbraw/zinc/97/56/32/882975632.db2.gz JIFCYLKNVIFXBJ-JYFHCDHNSA-N 1 0 414.505 4.106 20 30 HIEDRO COc1ccc(C[N@@H+]2CCC[C@](CO)(Cc3ccccc3)C2)cc1OCCCC#N ZINC000463035998 876058418 /nfs/dbraw/zinc/05/84/18/876058418.db2.gz RPFYXPQVBQRTQK-VWLOTQADSA-N 1 0 408.542 4.195 20 30 HIEDRO C[C@@H]1C[C@H](Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000468942934 883010326 /nfs/dbraw/zinc/01/03/26/883010326.db2.gz JPJRMCMEJPIUOW-XXBNENTESA-N 1 0 402.542 4.344 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000463760486 876884189 /nfs/dbraw/zinc/88/41/89/876884189.db2.gz PGUYSKZDDQCKFB-UHFFFAOYSA-N 1 0 408.542 4.244 20 30 HIEDRO CC[NH+](CC)C[C@@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C1 ZINC000464781942 878027753 /nfs/dbraw/zinc/02/77/53/878027753.db2.gz UJDNCQIFJUDCKH-FQEVSTJZSA-N 1 0 413.610 4.084 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000464841051 878109281 /nfs/dbraw/zinc/10/92/81/878109281.db2.gz WDHBJNHDKCFKDN-DEOSSOPVSA-N 1 0 418.585 4.004 20 30 HIEDRO C=CCSc1ccccc1NC(=O)CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464841879 878111802 /nfs/dbraw/zinc/11/18/02/878111802.db2.gz YSFFLGYZZJHDSX-OAQYLSRUSA-N 1 0 409.599 4.357 20 30 HIEDRO CCCCOC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC000464854122 878132818 /nfs/dbraw/zinc/13/28/18/878132818.db2.gz QCRBYZWITARDJQ-MRXNPFEDSA-N 1 0 403.592 4.354 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)c1C#N ZINC000465134662 878516190 /nfs/dbraw/zinc/51/61/90/878516190.db2.gz LMZFRNTUJGNJJC-UHFFFAOYSA-N 1 0 419.554 4.321 20 30 HIEDRO C=CCOc1ccc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)cc1OC ZINC000465201670 878606121 /nfs/dbraw/zinc/60/61/21/878606121.db2.gz YSWRMGATLIYSJS-GOSISDBHSA-N 1 0 410.514 4.233 20 30 HIEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCc2cc(C#N)ccc2F)cc1 ZINC000465585361 879066734 /nfs/dbraw/zinc/06/67/34/879066734.db2.gz OFUIEEUIVDICGB-UHFFFAOYSA-N 1 0 416.500 4.425 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000465591238 879074427 /nfs/dbraw/zinc/07/44/27/879074427.db2.gz FQOZVOHLTPSZQS-RPWUZVMVSA-N 1 0 402.542 4.264 20 30 HIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 ZINC000465748008 879335109 /nfs/dbraw/zinc/33/51/09/879335109.db2.gz FQDPSPINXSUYCY-QLBRKBSLSA-N 1 0 402.542 4.303 20 30 HIEDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503438208 912449021 /nfs/dbraw/zinc/44/90/21/912449021.db2.gz SUUBWXFICIIYEW-QFBILLFUSA-N 1 0 417.962 4.058 20 30 HIEDRO C=CCOc1ccccc1CNC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465904525 879566063 /nfs/dbraw/zinc/56/60/63/879566063.db2.gz WMBMDHVDZGOMPE-QFIPXVFZSA-N 1 0 407.558 4.305 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1CC[NH+](CCC)CC1 ZINC000466089949 879809322 /nfs/dbraw/zinc/80/93/22/879809322.db2.gz AQONQPRGDJDHEY-UHFFFAOYSA-N 1 0 412.347 4.160 20 30 HIEDRO Cc1ccc([C@@H](CNC(=O)Nc2ncccc2OCCCC#N)[NH+]2CCCC2)cc1 ZINC000466606187 880376060 /nfs/dbraw/zinc/37/60/60/880376060.db2.gz GOMJHMKBFPFRJV-HXUWFJFHSA-N 1 0 407.518 4.031 20 30 HIEDRO Cc1ccc([C@H](CNC(=O)Nc2ncccc2OCCCC#N)[NH+]2CCCC2)cc1 ZINC000466606186 880376443 /nfs/dbraw/zinc/37/64/43/880376443.db2.gz GOMJHMKBFPFRJV-FQEVSTJZSA-N 1 0 407.518 4.031 20 30 HIEDRO CC1CC[NH+]([C@H](CNC(=O)Nc2ncccc2OCCCC#N)c2ccccc2)CC1 ZINC000466628641 880400148 /nfs/dbraw/zinc/40/01/48/880400148.db2.gz QQUHRQZMFVOXFM-OAQYLSRUSA-N 1 0 421.545 4.359 20 30 HIEDRO C[N@H+](CCN(CC(=O)Nc1sccc1C#N)Cc1ccccc1)Cc1ccccc1 ZINC000466969368 880770256 /nfs/dbraw/zinc/77/02/56/880770256.db2.gz NTOBMMSWAJDCTC-UHFFFAOYSA-N 1 0 418.566 4.192 20 30 HIEDRO C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000466984079 880792396 /nfs/dbraw/zinc/79/23/96/880792396.db2.gz LPZGGUKZQKQBDG-QGZVFWFLSA-N 1 0 415.459 4.415 20 30 HIEDRO C[C@@H]1C[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C[N@@H+]1Cc1ccccc1 ZINC000467029956 880829330 /nfs/dbraw/zinc/82/93/30/880829330.db2.gz XRSGUZIHHOAVSY-NQIIRXRSSA-N 1 0 415.493 4.123 20 30 HIEDRO C[C@H]1C[C@H](N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000469225462 883326731 /nfs/dbraw/zinc/32/67/31/883326731.db2.gz RWSJFXYYQQBQNO-PGRDOPGGSA-N 1 0 414.509 4.338 20 30 HIEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+][C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000469241108 883340040 /nfs/dbraw/zinc/34/00/40/883340040.db2.gz LTMZJYPYFCXQOP-OCCSQVGLSA-N 1 0 402.951 4.374 20 30 HIEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000469442300 883635114 /nfs/dbraw/zinc/63/51/14/883635114.db2.gz GWHSRFRKTMZKDS-OJAHFUOMSA-N 1 0 410.480 4.186 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)CSc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000469489755 883728414 /nfs/dbraw/zinc/72/84/14/883728414.db2.gz KQBUKQNPQMMGTN-SFHVURJKSA-N 1 0 407.461 4.088 20 30 HIEDRO C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C(C)(C)C[NH+](C)C ZINC000469504663 883752854 /nfs/dbraw/zinc/75/28/54/883752854.db2.gz IVDMAWJHTZNANL-SFHVURJKSA-N 1 0 408.546 4.429 20 30 HIEDRO Cc1cccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1Br ZINC000469679059 883865823 /nfs/dbraw/zinc/86/58/23/883865823.db2.gz DQBCIAUUZGUSOS-UHFFFAOYSA-N 1 0 415.335 4.225 20 30 HIEDRO N#Cc1ccccc1OC1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000469990837 884207057 /nfs/dbraw/zinc/20/70/57/884207057.db2.gz LUPIOPYDHCRJOY-VHYCJAOWSA-N 1 0 417.553 4.419 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+](CCCO)[C@@H]1CCCc3ccccc31)CCC2 ZINC000471032147 885539795 /nfs/dbraw/zinc/53/97/95/885539795.db2.gz OKJJKARVERYZMU-OAQYLSRUSA-N 1 0 423.582 4.199 20 30 HIEDRO C[C@H](CCNC(=O)c1ccc(COc2ccccc2C#N)o1)[N@H+](C)Cc1ccccc1 ZINC000471458675 886136351 /nfs/dbraw/zinc/13/63/51/886136351.db2.gz DZAPVGZTCGEHRW-LJQANCHMSA-N 1 0 417.509 4.371 20 30 HIEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000471745947 886471550 /nfs/dbraw/zinc/47/15/50/886471550.db2.gz JOYVMFCDVCINKS-DFIYOIEZSA-N 1 0 414.553 4.035 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000504336692 913177204 /nfs/dbraw/zinc/17/72/04/913177204.db2.gz ADUDBWYFSCQPDI-REWPJTCUSA-N 1 0 419.569 4.255 20 30 HIEDRO C=CCOc1ccc(C(=O)N[C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000473281734 888037267 /nfs/dbraw/zinc/03/72/67/888037267.db2.gz QEXABZFHIHQFFT-HROJSSOGSA-N 1 0 408.542 4.146 20 30 HIEDRO C[C@H](NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000473614803 888354435 /nfs/dbraw/zinc/35/44/35/888354435.db2.gz NIZGGMLJCKMUQF-CPJSRVTESA-N 1 0 402.542 4.317 20 30 HIEDRO C[C@@H](NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)c1ccc(C#N)cc1 ZINC000473614805 888354753 /nfs/dbraw/zinc/35/47/53/888354753.db2.gz NIZGGMLJCKMUQF-NLFFAJNJSA-N 1 0 402.542 4.317 20 30 HIEDRO CC(C)C[C@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000473701627 888476631 /nfs/dbraw/zinc/47/66/31/888476631.db2.gz SCPSCCMPSVPDKS-WDJPJFJCSA-N 1 0 402.542 4.122 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N2CCSC[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000473937725 888815855 /nfs/dbraw/zinc/81/58/55/888815855.db2.gz CUOOUOTWXRNRHX-GOSISDBHSA-N 1 0 413.509 4.155 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)NC3CC([NH+]4CCCCC4)C3)c2)cc1 ZINC000475363892 890291370 /nfs/dbraw/zinc/29/13/70/890291370.db2.gz FZZHOSFLCCIAJL-UHFFFAOYSA-N 1 0 418.541 4.470 20 30 HIEDRO CC1CC[NH+](C2CCC(NC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)CC2)CC1 ZINC000504825434 913545426 /nfs/dbraw/zinc/54/54/26/913545426.db2.gz JWYGYUQQHXFPIU-UHFFFAOYSA-N 1 0 406.574 4.400 20 30 HIEDRO COc1cccc([C@@H]2[C@@H](NC(=O)C[C@H](CC#N)c3ccccc3)CC[N@@H+]2C2CC2)c1 ZINC000476597581 891531935 /nfs/dbraw/zinc/53/19/35/891531935.db2.gz NUUSTWMBEGBAMH-BFMBIBTESA-N 1 0 403.526 4.177 20 30 HIEDRO C=C(C)[C@H](NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000476948236 891885741 /nfs/dbraw/zinc/88/57/41/891885741.db2.gz CDIXHVJTSLCZKO-CVDCTZTESA-N 1 0 413.512 4.446 20 30 HIEDRO CC1(C)CC(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC(C)(C)[NH2+]1 ZINC000477657548 892790037 /nfs/dbraw/zinc/79/00/37/892790037.db2.gz DZBXNJDQIPQDNX-UHFFFAOYSA-N 1 0 416.997 4.244 20 30 HIEDRO C=C(C)[C@H](NC(=O)N1CCC(OCC[NH+](CC)CC)CC1)c1ccc(F)c(F)c1 ZINC000477750690 892843084 /nfs/dbraw/zinc/84/30/84/892843084.db2.gz ZNEBQYPFGLVQSQ-NRFANRHFSA-N 1 0 409.521 4.114 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1C#N ZINC000477946544 893035055 /nfs/dbraw/zinc/03/50/55/893035055.db2.gz YXZRRFXDYABQNT-RUZDIDTESA-N 1 0 418.541 4.475 20 30 HIEDRO Cc1oc(NC(=O)[C@@H](C)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c(C#N)c1C ZINC000478044611 893185616 /nfs/dbraw/zinc/18/56/16/893185616.db2.gz GXRLQUZFZUDDGU-SJLPKXTDSA-N 1 0 400.567 4.072 20 30 HIEDRO C=C(CNC(=O)Nc1cc(C)nn1[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000478146081 893316201 /nfs/dbraw/zinc/31/62/01/893316201.db2.gz NGAPRJWVVWDHFS-HSZRJFAPSA-N 1 0 415.541 4.473 20 30 HIEDRO N#Cc1ccc(N2CCC(C(=O)Nc3ccc(C[NH+]4CCCC4)cc3)CC2)c(F)c1 ZINC000478301734 893517938 /nfs/dbraw/zinc/51/79/38/893517938.db2.gz XMAXTKNNDJYZAX-UHFFFAOYSA-N 1 0 406.505 4.148 20 30 HIEDRO Cn1cc(CNc2ccc(CC[NH+]3CCSCC3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000478356546 893607160 /nfs/dbraw/zinc/60/71/60/893607160.db2.gz OETAUBQTVXXEMB-UHFFFAOYSA-N 1 0 417.582 4.162 20 30 HIEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000478369753 893631906 /nfs/dbraw/zinc/63/19/06/893631906.db2.gz MFFBSIDWBIZKJR-UHFFFAOYSA-N 1 0 417.475 4.350 20 30 HIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)NC3(c4cccc(C#N)c4)CC3)cc2)C1 ZINC000478804875 894078545 /nfs/dbraw/zinc/07/85/45/894078545.db2.gz HISWQURALYFZBI-LJQANCHMSA-N 1 0 402.542 4.279 20 30 HIEDRO COc1ccc([C@@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000505161191 913851923 /nfs/dbraw/zinc/85/19/23/913851923.db2.gz WEACFCSEZLXJFR-HSZRJFAPSA-N 1 0 423.532 4.327 20 30 HIEDRO N#CC1(NC(=O)Cc2c(Cl)cccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000479220841 894484741 /nfs/dbraw/zinc/48/47/41/894484741.db2.gz SJTAARYPNNBLNA-UHFFFAOYSA-N 1 0 402.325 4.210 20 30 HIEDRO C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000479237017 894501195 /nfs/dbraw/zinc/50/11/95/894501195.db2.gz BFBAJZRCQJMTRS-GFOJFJKKSA-N 1 0 403.526 4.181 20 30 HIEDRO Cc1ccc(Cl)c(O[C@H](C)C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479239892 894502774 /nfs/dbraw/zinc/50/27/74/894502774.db2.gz GFICEWAPTFLSCB-GOSISDBHSA-N 1 0 411.933 4.090 20 30 HIEDRO C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479256154 894523436 /nfs/dbraw/zinc/52/34/36/894523436.db2.gz YQVDFXTWPBVNRC-FQEVSTJZSA-N 1 0 419.569 4.426 20 30 HIEDRO COc1ccc2cccc(CC(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2c1 ZINC000479278016 894554288 /nfs/dbraw/zinc/55/42/88/894554288.db2.gz IAPCLVPAMNKLLI-UHFFFAOYSA-N 1 0 413.521 4.065 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000479280014 894556370 /nfs/dbraw/zinc/55/63/70/894556370.db2.gz JBHCKLBCQXMRMX-DEOSSOPVSA-N 1 0 423.605 4.389 20 30 HIEDRO CC1CC[NH+](Cc2ccc(CNC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc2)CC1 ZINC000505229539 913894697 /nfs/dbraw/zinc/89/46/97/913894697.db2.gz ISZOUOJSNZOYCL-UHFFFAOYSA-N 1 0 405.517 4.277 20 30 HIEDRO COc1c(Br)cccc1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000479428839 894744203 /nfs/dbraw/zinc/74/42/03/894744203.db2.gz SSHJPXVXJSSAFM-UHFFFAOYSA-N 1 0 416.319 4.204 20 30 HIEDRO N#Cc1ccc(Nc2cccc(C(=O)NC3CC[NH+](Cc4cccnc4)CC3)c2)cc1 ZINC000479614087 894885416 /nfs/dbraw/zinc/88/54/16/894885416.db2.gz OMPFLWYIYLPIMZ-UHFFFAOYSA-N 1 0 411.509 4.091 20 30 HIEDRO CCC[N@H+](C)C[C@@H]1CCN(c2c(C#N)cnc3c(Br)c(C)ccc32)C1 ZINC000480061705 895409009 /nfs/dbraw/zinc/40/90/09/895409009.db2.gz PSDQJYLPQVFCDY-HNNXBMFYSA-N 1 0 401.352 4.346 20 30 HIEDRO CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000480097629 895461780 /nfs/dbraw/zinc/46/17/80/895461780.db2.gz MSONOMVVYFVCPA-XZOQPEGZSA-N 1 0 413.525 4.341 20 30 HIEDRO C[NH+](C)[C@]1(CNC(=O)c2ccccc2SCc2ccc(C#N)cc2)CCSC1 ZINC000480266816 895675406 /nfs/dbraw/zinc/67/54/06/895675406.db2.gz PKJVZAWUXIZEAX-QFIPXVFZSA-N 1 0 411.596 4.018 20 30 HIEDRO CC[NH+](CC)CCOc1cc(NC(=O)N[C@@H](C)c2ccc(C#N)cc2)ccc1OC ZINC000480440720 895830562 /nfs/dbraw/zinc/83/05/62/895830562.db2.gz XUMCGSQIZCEVBT-KRWDZBQOSA-N 1 0 410.518 4.170 20 30 HIEDRO N#Cc1ccc2ncc(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2c1 ZINC000505356383 914020821 /nfs/dbraw/zinc/02/08/21/914020821.db2.gz VNKMGUOLCABZPJ-UHFFFAOYSA-N 1 0 407.521 4.113 20 30 HIEDRO CCC(CC)(CNS(=O)(=O)Cc1ccc(C#N)cc1F)[NH2+][C@@H](C)c1ccccc1 ZINC000481058987 896380974 /nfs/dbraw/zinc/38/09/74/896380974.db2.gz LNMMZRIQUYYLOR-KRWDZBQOSA-N 1 0 417.550 4.026 20 30 HIEDRO C=C(C)[C@H](NC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000481067666 896389457 /nfs/dbraw/zinc/38/94/57/896389457.db2.gz GHUQGHIQGDORRK-FQEVSTJZSA-N 1 0 403.477 4.175 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000505405374 914070569 /nfs/dbraw/zinc/07/05/69/914070569.db2.gz NMGGISNWXMAUCY-UHFFFAOYSA-N 1 0 406.408 4.053 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nc(-c4ccccc4)n[nH]3)C2)c(Br)c1 ZINC000481282050 896628527 /nfs/dbraw/zinc/62/85/27/896628527.db2.gz HZYZONRSVPHCDU-GOSISDBHSA-N 1 0 422.330 4.485 20 30 HIEDRO CC(C)C[NH+]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000481596704 896976844 /nfs/dbraw/zinc/97/68/44/896976844.db2.gz LOBHZKMWSDHONL-UHFFFAOYSA-N 1 0 410.493 4.082 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NC(c2cccc(OC)c2)c2cccc(OC)c2)CC1 ZINC000481700506 897087980 /nfs/dbraw/zinc/08/79/80/897087980.db2.gz XVWHKDRZJCFKGR-UHFFFAOYSA-N 1 0 423.557 4.133 20 30 HIEDRO C[C@H]([NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)NC1(C#N)CCCCC1 ZINC000481734626 897129557 /nfs/dbraw/zinc/12/95/57/897129557.db2.gz KPUJQRQHQWFRPF-SCLBCKFNSA-N 1 0 422.342 4.360 20 30 HIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000481787910 897168582 /nfs/dbraw/zinc/16/85/82/897168582.db2.gz NVGCGEYHNAKFGC-QFIPXVFZSA-N 1 0 410.543 4.218 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C1(c2ccccc2)CCCC1 ZINC000481838262 897205405 /nfs/dbraw/zinc/20/54/05/897205405.db2.gz KFCDIEDTYDMANE-IBGZPJMESA-N 1 0 413.525 4.173 20 30 HIEDRO CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481922321 897306489 /nfs/dbraw/zinc/30/64/89/897306489.db2.gz YAHOCWILAYFJJP-SANMLTNESA-N 1 0 402.586 4.253 20 30 HIEDRO COC(=O)c1ccc(-c2ccc(CN3CCO[C@H](c4cccc(C#N)c4)C3)o2)cc1 ZINC000481982357 897376007 /nfs/dbraw/zinc/37/60/07/897376007.db2.gz FNYFIALWHUVWCO-QHCPKHFHSA-N 1 0 402.450 4.178 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000482002097 897398649 /nfs/dbraw/zinc/39/86/49/897398649.db2.gz YYFVEBFKMBTUBW-DEOSSOPVSA-N 1 0 402.542 4.135 20 30 HIEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCCC2)c1 ZINC000505486403 914170137 /nfs/dbraw/zinc/17/01/37/914170137.db2.gz DAPOMOUJZNROJA-UHFFFAOYSA-N 1 0 422.472 4.410 20 30 HIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]CCCc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000482438704 898000172 /nfs/dbraw/zinc/00/01/72/898000172.db2.gz MZNMOWOMPFIIKR-HXUWFJFHSA-N 1 0 402.325 4.188 20 30 HIEDRO CC1(C)C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@]2(CCCOC2)O1 ZINC000482446792 898010029 /nfs/dbraw/zinc/01/00/29/898010029.db2.gz CPBYCISQKCPCSN-RUZDIDTESA-N 1 0 406.526 4.297 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccccc2Br)CC(C)C)CC1 ZINC000482576820 898173417 /nfs/dbraw/zinc/17/34/17/898173417.db2.gz DJBPHQTYMJHVOL-UHFFFAOYSA-N 1 0 408.384 4.267 20 30 HIEDRO COc1cccc([C@H]2[C@H](NC(=O)c3cccc(SCC#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000482790695 898399315 /nfs/dbraw/zinc/39/93/15/898399315.db2.gz HUNFDVDJKYKFKU-YADHBBJMSA-N 1 0 407.539 4.019 20 30 HIEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(COc4ccc(CC#N)cc4)c3)CC[C@@H]21 ZINC000483040765 898709247 /nfs/dbraw/zinc/70/92/47/898709247.db2.gz AFRSXMRYRNNMOC-QPPBQGQZSA-N 1 0 418.541 4.280 20 30 HIEDRO COc1ccc(C[N@H+](CCC(=O)Nc2sccc2C#N)CCc2ccccn2)cc1 ZINC000483066291 898745629 /nfs/dbraw/zinc/74/56/29/898745629.db2.gz GKFYUXHSYABAHI-UHFFFAOYSA-N 1 0 420.538 4.097 20 30 HIEDRO CS[C@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@H]1[NH+]1CCCC1 ZINC000483392922 899028082 /nfs/dbraw/zinc/02/80/82/899028082.db2.gz IQLMMQVILZWKMF-PKTZIBPZSA-N 1 0 421.566 4.197 20 30 HIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000483677743 899337260 /nfs/dbraw/zinc/33/72/60/899337260.db2.gz FYRVQEADBAYZQZ-DEOSSOPVSA-N 1 0 404.558 4.389 20 30 HIEDRO COc1ccccc1-c1nc(C2CC[NH+](CCCOc3cccc(C#N)c3)CC2)no1 ZINC000484298516 899861534 /nfs/dbraw/zinc/86/15/34/899861534.db2.gz YABHIFCOANLXRH-UHFFFAOYSA-N 1 0 418.497 4.265 20 30 HIEDRO COCCCN(C(=O)c1ccc(Oc2ccc(C#N)cc2C)cc1)C1CC[NH+](C)CC1 ZINC000484861232 900251424 /nfs/dbraw/zinc/25/14/24/900251424.db2.gz JYUREESXHPVSAD-UHFFFAOYSA-N 1 0 421.541 4.232 20 30 HIEDRO COCCSc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485324221 900606670 /nfs/dbraw/zinc/60/66/70/900606670.db2.gz VTTWILACCCETBT-HTAPYJJXSA-N 1 0 409.555 4.143 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2ncsc2c1 ZINC000485807708 901056748 /nfs/dbraw/zinc/05/67/48/901056748.db2.gz WXXKNUUQRXHZCH-JKSUJKDBSA-N 1 0 408.527 4.291 20 30 HIEDRO C=CCSc1ccccc1C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000486216096 901398831 /nfs/dbraw/zinc/39/88/31/901398831.db2.gz BFNNLYDEPQDQJB-UHFFFAOYSA-N 1 0 424.570 4.433 20 30 HIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1 ZINC000486218879 901401935 /nfs/dbraw/zinc/40/19/35/901401935.db2.gz SUQWXZKJRYAPHD-UHFFFAOYSA-N 1 0 407.514 4.250 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CCN3CC[NH+](C4CCCCC4)CC3)sc2C1 ZINC000486256954 901440685 /nfs/dbraw/zinc/44/06/85/901440685.db2.gz YJUHFBXWNREMNJ-QGZVFWFLSA-N 1 0 414.619 4.023 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)[C@H](Cc2cccc(Br)c2)CC(C)C)CC1 ZINC000487238860 902111244 /nfs/dbraw/zinc/11/12/44/902111244.db2.gz CVWAAXLVPBDJGM-SFHVURJKSA-N 1 0 407.396 4.421 20 30 HIEDRO COc1cccc([C@@H](C)[NH+]2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)c1 ZINC000488150900 902644649 /nfs/dbraw/zinc/64/46/49/902644649.db2.gz QEHMMQGBMMGGMS-OAHLLOKOSA-N 1 0 408.452 4.276 20 30 HIEDRO CC[NH+](CC)CC1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 ZINC000488313467 902760884 /nfs/dbraw/zinc/76/08/84/902760884.db2.gz UWUVADPTCSKDSL-UHFFFAOYSA-N 1 0 413.610 4.084 20 30 HIEDRO C=CCOc1ccc(C[N@H+](CCO)Cc2cccc(Br)c2)cc1OC ZINC000488399215 902807591 /nfs/dbraw/zinc/80/75/91/902807591.db2.gz QHVIIWXVKCGGSA-UHFFFAOYSA-N 1 0 406.320 4.017 20 30 HIEDRO N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000489106280 903199728 /nfs/dbraw/zinc/19/97/28/903199728.db2.gz UNQPCFKCABBYOT-HNNXBMFYSA-N 1 0 400.573 4.163 20 30 HIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489529021 903440014 /nfs/dbraw/zinc/44/00/14/903440014.db2.gz IPKJKEJIGXBVPL-YKSBVNFPSA-N 1 0 404.558 4.390 20 30 HIEDRO C[N@@H+](Cc1ccccc1)CC1CCN(CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000489681463 903541360 /nfs/dbraw/zinc/54/13/60/903541360.db2.gz URYURZQJVWNJEG-UHFFFAOYSA-N 1 0 422.598 4.085 20 30 HIEDRO C[NH+]1CCC(n2ccc(NC(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)n2)CC1 ZINC000489976110 903707636 /nfs/dbraw/zinc/70/76/36/903707636.db2.gz BJSGYTNEMCEDLQ-UHFFFAOYSA-N 1 0 415.497 4.260 20 30 HIEDRO CC(C)[N@@H+](Cc1cnc2ccc(C#N)cn12)C[C@@H](O)COc1cccc2ccccc21 ZINC000506084304 914790254 /nfs/dbraw/zinc/79/02/54/914790254.db2.gz AUIFJJIFQHUGAD-JOCHJYFZSA-N 1 0 414.509 4.009 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccccc2Cl)CC1 ZINC000490768973 904220811 /nfs/dbraw/zinc/22/08/11/904220811.db2.gz NBQSYISNVBELPC-UHFFFAOYSA-N 1 0 410.949 4.017 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000491041319 904392553 /nfs/dbraw/zinc/39/25/53/904392553.db2.gz UFGKBYJHQGHTSL-OAQYLSRUSA-N 1 0 413.566 4.290 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c(F)c1 ZINC000506149218 914825402 /nfs/dbraw/zinc/82/54/02/914825402.db2.gz WUBIMASXVYJJEY-HNNXBMFYSA-N 1 0 403.383 4.138 20 30 HIEDRO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]Cc2ccc(C#N)cc2)C1=O ZINC000506206374 914844476 /nfs/dbraw/zinc/84/44/76/914844476.db2.gz OOFUYWOCDAAHEG-LJQANCHMSA-N 1 0 412.331 4.223 20 30 HIEDRO CCN(C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2Br)C1)CC(F)(F)F ZINC000492482445 904855613 /nfs/dbraw/zinc/85/56/13/904855613.db2.gz HNHRQQVUCGMMOP-CQSZACIVSA-N 1 0 404.274 4.027 20 30 HIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000492930187 904954073 /nfs/dbraw/zinc/95/40/73/904954073.db2.gz OFZDGGRHMUGITP-UHFFFAOYSA-N 1 0 418.990 4.434 20 30 HIEDRO N#Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)c1 ZINC000493635059 905177111 /nfs/dbraw/zinc/17/71/11/905177111.db2.gz LNFAIUHUJAAGGA-CQSZACIVSA-N 1 0 403.383 4.138 20 30 HIEDRO C[C@H]1[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494069309 905406786 /nfs/dbraw/zinc/40/67/86/905406786.db2.gz ODYHUHNDMAIUMH-MBSDFSHPSA-N 1 0 412.493 4.138 20 30 HIEDRO C[C@H]1[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494069307 905406874 /nfs/dbraw/zinc/40/68/74/905406874.db2.gz ODYHUHNDMAIUMH-FDDCHVKYSA-N 1 0 412.493 4.138 20 30 HIEDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000494327423 905639240 /nfs/dbraw/zinc/63/92/40/905639240.db2.gz QJEQSWKLXXXGAT-KDURUIRLSA-N 1 0 409.530 4.218 20 30 HIEDRO N#CCCN(C(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cccc(Cl)c1 ZINC000494455921 905737596 /nfs/dbraw/zinc/73/75/96/905737596.db2.gz WLPWHEXLGYZYCQ-CTNGQTDRSA-N 1 0 418.324 4.360 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494493616 905779646 /nfs/dbraw/zinc/77/96/46/905779646.db2.gz JJIDXCNNHMBEOO-SYURPWHHSA-N 1 0 422.287 4.451 20 30 HIEDRO CC[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CCCCC1 ZINC000494779441 905978044 /nfs/dbraw/zinc/97/80/44/905978044.db2.gz VKVUNBOVHALRNW-LJQANCHMSA-N 1 0 412.578 4.011 20 30 HIEDRO CC(C)(C)CC(C)(C)[NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494784786 905986667 /nfs/dbraw/zinc/98/66/67/905986667.db2.gz MLDQSWPCAQMHOS-QGZVFWFLSA-N 1 0 414.594 4.160 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000495162171 906279241 /nfs/dbraw/zinc/27/92/41/906279241.db2.gz PUEFNMYTAPZFDW-GOSISDBHSA-N 1 0 423.582 4.395 20 30 HIEDRO Cc1ccccc1C1(C[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCOCC1 ZINC000495638317 906517365 /nfs/dbraw/zinc/51/73/65/906517365.db2.gz KPYPULRKOLXHQF-QGZVFWFLSA-N 1 0 423.582 4.082 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(c2ccc(Cl)cc2)CCOCC1)C(C)C ZINC000496028821 906599850 /nfs/dbraw/zinc/59/98/50/906599850.db2.gz OAOWKKFLBKERED-NRFANRHFSA-N 1 0 404.982 4.203 20 30 HIEDRO C[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000496226295 906632669 /nfs/dbraw/zinc/63/26/69/906632669.db2.gz YGXWDCFHQNJAFB-BEBLGJCVSA-N 1 0 420.557 4.239 20 30 HIEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512619542 921264374 /nfs/dbraw/zinc/26/43/74/921264374.db2.gz MFTKOBWNNMTJMI-HZPDHXFCSA-N 1 0 403.523 4.140 20 30 HIEDRO C=C(C)COc1cc(C[NH+]2CCC(NC(=O)c3ccc(C)s3)CC2)ccc1OC ZINC000512672344 921283042 /nfs/dbraw/zinc/28/30/42/921283042.db2.gz HSLJNSUUVIFZGF-UHFFFAOYSA-N 1 0 414.571 4.414 20 30 HIEDRO CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000497593378 907074522 /nfs/dbraw/zinc/07/45/22/907074522.db2.gz AUYCSISQESUVGU-GCJKJVERSA-N 1 0 419.525 4.076 20 30 HIEDRO CC[N@H+](CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497599746 907079787 /nfs/dbraw/zinc/07/97/87/907079787.db2.gz KPXQRNAZLLLUPL-ROUUACIJSA-N 1 0 409.530 4.144 20 30 HIEDRO C[NH+](C)CCOc1cc(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)ccn1 ZINC000497704478 907207098 /nfs/dbraw/zinc/20/70/98/907207098.db2.gz HZFVGUPGJUHZIG-UHFFFAOYSA-N 1 0 416.481 4.133 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](CCCc3nc(-c4ccccc4)no3)CC2)c(F)c1 ZINC000512817294 921321018 /nfs/dbraw/zinc/32/10/18/921321018.db2.gz LJRRPTLNFCHOTQ-UHFFFAOYSA-N 1 0 406.461 4.223 20 30 HIEDRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000498267996 907805305 /nfs/dbraw/zinc/80/53/05/907805305.db2.gz RMZRMIFGXUQBKK-OAHLLOKOSA-N 1 0 420.340 4.223 20 30 HIEDRO COc1cccc([C@@H]2[C@H](NC(=O)Nc3ccc(C#N)c(Cl)c3)CC[N@@H+]2C2CC2)c1 ZINC000498531047 908000376 /nfs/dbraw/zinc/00/03/76/908000376.db2.gz YUJOJGSCHXDHDH-NHCUHLMSSA-N 1 0 410.905 4.320 20 30 HIEDRO C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498701924 908126615 /nfs/dbraw/zinc/12/66/15/908126615.db2.gz HUEKCVPXPXHJDZ-XXBNENTESA-N 1 0 402.542 4.143 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498715742 908142333 /nfs/dbraw/zinc/14/23/33/908142333.db2.gz OJEUCRFJMQBDCS-DENIHFKCSA-N 1 0 422.529 4.203 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000512923056 921417068 /nfs/dbraw/zinc/41/70/68/921417068.db2.gz POUDYBVJERSQSF-MRXNPFEDSA-N 1 0 406.486 4.131 20 30 HIEDRO COc1ccccc1-c1nc(C2CC[NH+](CCCC3(C#N)CCOCC3)CC2)no1 ZINC000499708569 908883891 /nfs/dbraw/zinc/88/38/91/908883891.db2.gz LEGHBEGMAMPVRH-UHFFFAOYSA-N 1 0 410.518 4.025 20 30 HIEDRO CCC[C@H]1CN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC[N@@H+]1CCOC ZINC000499895437 909019401 /nfs/dbraw/zinc/01/94/01/909019401.db2.gz OOSLURBPDGFRDI-ROUUACIJSA-N 1 0 404.580 4.045 20 30 HIEDRO CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(Cl)s1 ZINC000513074165 921527618 /nfs/dbraw/zinc/52/76/18/921527618.db2.gz HLWXSNFRFCIGFP-QGZVFWFLSA-N 1 0 404.967 4.498 20 30 HIEDRO C=CCOc1ccc(C[NH2+]CCNC(=O)c2cccc(Br)c2)cc1Cl ZINC000500873298 910146825 /nfs/dbraw/zinc/14/68/25/910146825.db2.gz WKPJUHWGCMIKHI-UHFFFAOYSA-N 1 0 423.738 4.187 20 30 HIEDRO C=CCc1cc(C[NH2+][C@H]2CCN(c3ccccc3Br)C2)cc(OC)c1O ZINC000500902202 910171849 /nfs/dbraw/zinc/17/18/49/910171849.db2.gz VZHIBULADDBVPF-KRWDZBQOSA-N 1 0 417.347 4.260 20 30 HIEDRO C=CCOc1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1OC ZINC000513126235 921570376 /nfs/dbraw/zinc/57/03/76/921570376.db2.gz PRRUKUDUCRKNMH-QHCPKHFHSA-N 1 0 408.542 4.291 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000501752912 910812841 /nfs/dbraw/zinc/81/28/41/910812841.db2.gz JENGFCCYWLBJDQ-UHFFFAOYSA-N 1 0 403.448 4.257 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@H+](C)CC3(C)C)sc2C1 ZINC000501774895 910829373 /nfs/dbraw/zinc/82/93/73/910829373.db2.gz LNEZGUOISDGWOX-MRXNPFEDSA-N 1 0 416.635 4.125 20 30 HIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc2n[nH]cc2c1 ZINC000513210395 921626365 /nfs/dbraw/zinc/62/63/65/921626365.db2.gz PGWLPHWTOCDQEX-CQSZACIVSA-N 1 0 407.543 4.444 20 30 HIEDRO N#Cc1ccc(OCc2ccc(C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)o2)cc1 ZINC000513216471 921631696 /nfs/dbraw/zinc/63/16/96/921631696.db2.gz CQVQTIIWFZCGAM-OAQYLSRUSA-N 1 0 415.493 4.125 20 30 HIEDRO COc1ccc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1OCCCC#N ZINC000502327779 911305151 /nfs/dbraw/zinc/30/51/51/911305151.db2.gz SCSMRRKHZUFYLP-HXUWFJFHSA-N 1 0 408.546 4.290 20 30 HIEDRO C[C@@H](CNC(=O)c1cccc(COc2ccccc2C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000513253726 921659176 /nfs/dbraw/zinc/65/91/76/921659176.db2.gz CXEIZHGIRFTYOF-FQEVSTJZSA-N 1 0 413.521 4.388 20 30 HIEDRO C/C=C/c1ccc(OC[C@H](O)C[N@H+]2CC=C(c3ccc(C#N)cc3)CC2)c(OC)c1 ZINC000502507461 911511337 /nfs/dbraw/zinc/51/13/37/911511337.db2.gz OEFJWEZYFJQDEO-OSFWOZTASA-N 1 0 404.510 4.129 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC=C(c3ccc(C#N)cc3)CC1)CCC2 ZINC000502513109 911516960 /nfs/dbraw/zinc/51/69/60/911516960.db2.gz VIYHHOBSGWMKHK-UHFFFAOYSA-N 1 0 402.523 4.098 20 30 HIEDRO CC1CC[NH+](C2CCC(NC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)CC2)CC1 ZINC000502782974 911806679 /nfs/dbraw/zinc/80/66/79/911806679.db2.gz FOCZNSRTXYXLPA-UHFFFAOYSA-N 1 0 424.589 4.154 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H]2CCCC23CCOCC3)c1C#N ZINC000502824300 911839760 /nfs/dbraw/zinc/83/97/60/911839760.db2.gz MVVOYJVHSOVZTN-OAQYLSRUSA-N 1 0 412.578 4.359 20 30 HIEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000513321982 921712751 /nfs/dbraw/zinc/71/27/51/921712751.db2.gz YMSSQJZVIOIMKU-UHFFFAOYSA-N 1 0 423.542 4.184 20 30 HIEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000506369295 914993532 /nfs/dbraw/zinc/99/35/32/914993532.db2.gz LSGQMLAPEVHXDP-UHFFFAOYSA-N 1 0 422.548 4.070 20 30 HIEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1 ZINC000506477981 915080952 /nfs/dbraw/zinc/08/09/52/915080952.db2.gz RGGMVDNDVBQWEQ-UHFFFAOYSA-N 1 0 411.521 4.012 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000506478495 915083102 /nfs/dbraw/zinc/08/31/02/915083102.db2.gz ASFZJHRBXXPQIP-SFHVURJKSA-N 1 0 405.517 4.420 20 30 HIEDRO N#Cc1ccccc1OCC[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000506489580 915096639 /nfs/dbraw/zinc/09/66/39/915096639.db2.gz VWWIZDWGHVVXAE-UHFFFAOYSA-N 1 0 401.869 4.080 20 30 HIEDRO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(OC)c(OC)c1 ZINC000506640287 915308643 /nfs/dbraw/zinc/30/86/43/915308643.db2.gz WZIWUDVHLFLQSD-SUMWQHHRSA-N 1 0 413.543 4.194 20 30 HIEDRO N#Cc1ccc2ncc(CN3CC[NH+](C4c5ccccc5-c5ccccc54)CC3)n2c1 ZINC000506653318 915324183 /nfs/dbraw/zinc/32/41/83/915324183.db2.gz JSXVRTCVHUFJKU-UHFFFAOYSA-N 1 0 405.505 4.094 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCCN(Cc3cscn3)CC2)c1 ZINC000513391671 921763235 /nfs/dbraw/zinc/76/32/35/921763235.db2.gz FOFJSTPEDNFZEU-UHFFFAOYSA-N 1 0 418.566 4.302 20 30 HIEDRO CCCCNC(=O)C1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000507009954 915820295 /nfs/dbraw/zinc/82/02/95/915820295.db2.gz ZTWSKFSTUDIKBR-UHFFFAOYSA-N 1 0 405.542 4.266 20 30 HIEDRO N#CCCCOc1cccc(C[NH+]2CCC(C(=O)NCc3ccc(F)cc3)CC2)c1 ZINC000507022675 915827710 /nfs/dbraw/zinc/82/77/10/915827710.db2.gz PXIACUUMNGILJE-UHFFFAOYSA-N 1 0 409.505 4.037 20 30 HIEDRO COc1ccccc1C[C@H](C)[N@H+](CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccccc1 ZINC000507218739 915970030 /nfs/dbraw/zinc/97/00/30/915970030.db2.gz LXGAGQPJXDIPDR-NBGIEHNGSA-N 1 0 407.558 4.183 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH+]2CCC(n3c(C)ccc3C)CC2)cc1 ZINC000507320645 916082715 /nfs/dbraw/zinc/08/27/15/916082715.db2.gz ZXUXKZZNJLHYGU-UHFFFAOYSA-N 1 0 408.546 4.087 20 30 HIEDRO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507420073 916189155 /nfs/dbraw/zinc/18/91/55/916189155.db2.gz IBUSSNILFQULMX-OXJNMPFZSA-N 1 0 424.932 4.022 20 30 HIEDRO CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507439910 916209205 /nfs/dbraw/zinc/20/92/05/916209205.db2.gz HDHMGXPBZMZAMP-WZONZLPQSA-N 1 0 418.541 4.184 20 30 HIEDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cnn1-c1ccc(F)cc1 ZINC000507472757 916243022 /nfs/dbraw/zinc/24/30/22/916243022.db2.gz FUHGACCFFHJLJN-MWTRTKDXSA-N 1 0 417.488 4.038 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000507620283 916378768 /nfs/dbraw/zinc/37/87/68/916378768.db2.gz JWYYBWIDQIKULR-FUHYEJFZSA-N 1 0 418.459 4.439 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 ZINC000507621603 916380866 /nfs/dbraw/zinc/38/08/66/916380866.db2.gz OHBQUXSTJJZMQY-LUQTXGNESA-N 1 0 403.526 4.298 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)CC1 ZINC000507622119 916381285 /nfs/dbraw/zinc/38/12/85/916381285.db2.gz QQWLZQLLKQJCLA-SMCIBBBJSA-N 1 0 415.516 4.393 20 30 HIEDRO C[C@@H]1CN(Cc2cccc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)c2)CCO1 ZINC000507622557 916381500 /nfs/dbraw/zinc/38/15/00/916381500.db2.gz UDZSWRFFNWRZHD-ZUOMXFFYSA-N 1 0 403.570 4.401 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCCC2)CC1 ZINC000507654106 916417114 /nfs/dbraw/zinc/41/71/14/916417114.db2.gz RDTZXEGKNWARLZ-QWJQGLKASA-N 1 0 401.554 4.214 20 30 HIEDRO COc1ccccc1[C@@H](CNC(=O)Nc1cc(C#N)cn1C(C)(C)C)[NH+]1CCCC1 ZINC000508089745 916907917 /nfs/dbraw/zinc/90/79/17/916907917.db2.gz UJBHSLPYGMPAIE-LJQANCHMSA-N 1 0 409.534 4.082 20 30 HIEDRO C=CCOc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000508429447 917217513 /nfs/dbraw/zinc/21/75/13/917217513.db2.gz XNTJERALBBZMEF-OFNKIYASSA-N 1 0 407.558 4.446 20 30 HIEDRO C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508460862 917245584 /nfs/dbraw/zinc/24/55/84/917245584.db2.gz GCMKSLMVTZPWCR-SFTDATJTSA-N 1 0 411.594 4.389 20 30 HIEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508478696 917263713 /nfs/dbraw/zinc/26/37/13/917263713.db2.gz SRPWHFKIEPCQGM-FPOVZHCZSA-N 1 0 404.562 4.094 20 30 HIEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508480471 917264932 /nfs/dbraw/zinc/26/49/32/917264932.db2.gz HGLXBBLQWDITQH-JOCHJYFZSA-N 1 0 419.548 4.152 20 30 HIEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508480827 917265356 /nfs/dbraw/zinc/26/53/56/917265356.db2.gz KPZUMETVVJMKLG-PZJWPPBQSA-N 1 0 411.569 4.285 20 30 HIEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508494232 917278618 /nfs/dbraw/zinc/27/86/18/917278618.db2.gz OETPYKQKIKUYSU-QGZVFWFLSA-N 1 0 415.969 4.105 20 30 HIEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508504022 917288789 /nfs/dbraw/zinc/28/87/89/917288789.db2.gz ISFOOVBYWKBPMG-IBGZPJMESA-N 1 0 404.562 4.156 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508506615 917292105 /nfs/dbraw/zinc/29/21/05/917292105.db2.gz FYXKTJVQSWENMT-GOSISDBHSA-N 1 0 413.541 4.055 20 30 HIEDRO C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000508507562 917293032 /nfs/dbraw/zinc/29/30/32/917293032.db2.gz ICAPFZOWTFXWHP-JOCHJYFZSA-N 1 0 409.578 4.089 20 30 HIEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(C#N)cc2)[C@H]2CCCC[C@@H]12 ZINC000508678615 917441592 /nfs/dbraw/zinc/44/15/92/917441592.db2.gz QDCKYGVGSAYAIX-GZEZKRSXSA-N 1 0 424.589 4.071 20 30 HIEDRO C=CCn1c(CCCc2cccs2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508791244 917547559 /nfs/dbraw/zinc/54/75/59/917547559.db2.gz ADHSIXKKCYTCRG-NQIIRXRSSA-N 1 0 411.619 4.154 20 30 HIEDRO C=CCn1c(CCCc2cccs2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508791253 917547659 /nfs/dbraw/zinc/54/76/59/917547659.db2.gz ADHSIXKKCYTCRG-WIYYLYMNSA-N 1 0 411.619 4.154 20 30 HIEDRO C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508793178 917549502 /nfs/dbraw/zinc/54/95/02/917549502.db2.gz HNMLZFDYIXBPJZ-ROUUACIJSA-N 1 0 417.985 4.426 20 30 HIEDRO C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508829212 917581616 /nfs/dbraw/zinc/58/16/16/917581616.db2.gz SIVMGGSUKMHLIA-NHCUHLMSSA-N 1 0 423.605 4.154 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000508888498 917644081 /nfs/dbraw/zinc/64/40/81/917644081.db2.gz NXUVKIGQQNOPRR-GOSISDBHSA-N 1 0 413.541 4.198 20 30 HIEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000508893896 917649700 /nfs/dbraw/zinc/64/97/00/917649700.db2.gz IZOKHHCTYWZCDT-JOCHJYFZSA-N 1 0 423.605 4.178 20 30 HIEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508919932 917677200 /nfs/dbraw/zinc/67/72/00/917677200.db2.gz SEAAINMRQRDIGB-UHFFFAOYSA-N 1 0 409.578 4.115 20 30 HIEDRO C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508930314 917688692 /nfs/dbraw/zinc/68/86/92/917688692.db2.gz KSRKVIJJUJRVIJ-MRXNPFEDSA-N 1 0 418.383 4.062 20 30 HIEDRO C=CCn1c(-c2ccc(Br)s2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508944858 917701932 /nfs/dbraw/zinc/70/19/32/917701932.db2.gz HOHRKBZDCOSIDL-AWEZNQCLSA-N 1 0 422.396 4.020 20 30 HIEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000508949322 917706683 /nfs/dbraw/zinc/70/66/83/917706683.db2.gz HDKNEKJIMKLOHZ-HXUWFJFHSA-N 1 0 418.589 4.484 20 30 HIEDRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCCN(c2ccccc2C#N)CC1 ZINC000509093037 917834393 /nfs/dbraw/zinc/83/43/93/917834393.db2.gz GREXOVFNXHTXBK-UHFFFAOYSA-N 1 0 403.505 4.212 20 30 HIEDRO CC(C)N(C)C(=O)C1CC[NH+](Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000509580934 918229862 /nfs/dbraw/zinc/22/98/62/918229862.db2.gz VFLRSYXQCLBMLU-UHFFFAOYSA-N 1 0 405.542 4.216 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)c2)cc1 ZINC000509884701 918485862 /nfs/dbraw/zinc/48/58/62/918485862.db2.gz IZHUHVDQKWNONO-HSZRJFAPSA-N 1 0 418.541 4.424 20 30 HIEDRO CC[C@H]([NH2+][C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc(OC)c(OC)c1 ZINC000510252110 918788247 /nfs/dbraw/zinc/78/82/47/918788247.db2.gz DNZFFPQLMVDXDC-DDPYSOHJSA-N 1 0 401.551 4.064 20 30 HIEDRO CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000510645246 919086666 /nfs/dbraw/zinc/08/66/66/919086666.db2.gz HFXMNXQMNVYOMY-NHCUHLMSSA-N 1 0 418.541 4.108 20 30 HIEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000510758196 919208806 /nfs/dbraw/zinc/20/88/06/919208806.db2.gz ICSIVRIZNMMBGM-UHFFFAOYSA-N 1 0 417.509 4.486 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000511438522 920049242 /nfs/dbraw/zinc/04/92/42/920049242.db2.gz MEHNGKPLKPEPNV-XZOQPEGZSA-N 1 0 404.514 4.080 20 30 HIEDRO C[C@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[N@@H+]1CCCC[C@@H]1C ZINC000511471629 920080668 /nfs/dbraw/zinc/08/06/68/920080668.db2.gz BFUQQDVHAOWSLN-ZWKOTPCHSA-N 1 0 419.529 4.195 20 30 HIEDRO C=CCOc1ccc(CN2CCCN(C(=O)c3ccc(Cl)cc3)CC2)cc1OC ZINC000511650371 920317368 /nfs/dbraw/zinc/31/73/68/920317368.db2.gz TXTYURJTFWNXLM-UHFFFAOYSA-N 1 0 414.933 4.262 20 30 HIEDRO N#CCCCOc1cccc(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)c1 ZINC000511656537 920324561 /nfs/dbraw/zinc/32/45/61/920324561.db2.gz NMQUXQJIAYNVMK-UHFFFAOYSA-N 1 0 411.933 4.371 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000511680681 920343436 /nfs/dbraw/zinc/34/34/36/920343436.db2.gz JIKQOBNZWRKUCA-RZUBCFFCSA-N 1 0 408.567 4.408 20 30 HIEDRO N#CCCn1cc(C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c2ccccc21 ZINC000511782162 920473160 /nfs/dbraw/zinc/47/31/60/920473160.db2.gz XEWBHLKLDQMIJI-VTZPFEBOSA-N 1 0 413.521 4.242 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1 ZINC000511793307 920486367 /nfs/dbraw/zinc/48/63/67/920486367.db2.gz QBAWHXSEWWMTKC-DSNGMDLFSA-N 1 0 417.553 4.055 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)c1 ZINC000511793304 920486657 /nfs/dbraw/zinc/48/66/57/920486657.db2.gz QBAWHXSEWWMTKC-DSITVLBTSA-N 1 0 417.553 4.055 20 30 HIEDRO COc1ccc(C2(C[NH2+][C@@H](C)C(=O)Nc3cccc(C#N)c3)CCCCC2)cc1OC ZINC000512226291 920977649 /nfs/dbraw/zinc/97/76/49/920977649.db2.gz GBHQUEIQBFVEQB-SFHVURJKSA-N 1 0 421.541 4.394 20 30 HIEDRO COc1cc(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000512229478 920982888 /nfs/dbraw/zinc/98/28/88/920982888.db2.gz RYKWZERNWKNOOQ-AUSIDOKSSA-N 1 0 405.542 4.204 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000512348747 921093920 /nfs/dbraw/zinc/09/39/20/921093920.db2.gz WWBXPMWFQUYXTQ-XMSQKQJNSA-N 1 0 423.582 4.391 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]CCOc2cccc(F)c2)cc1OC ZINC000513582360 921913730 /nfs/dbraw/zinc/91/37/30/921913730.db2.gz MEFWXHPBJITWGD-UHFFFAOYSA-N 1 0 410.283 4.330 20 30 HIEDRO CCC1(CNC(=O)[C@H](C)Oc2ccccc2C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000514059292 922382122 /nfs/dbraw/zinc/38/21/22/922382122.db2.gz MEZGNTIOANFYDD-FQEVSTJZSA-N 1 0 405.542 4.134 20 30 HIEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC000514070449 922393319 /nfs/dbraw/zinc/39/33/19/922393319.db2.gz VVRNXFHZBNXQQI-HSZRJFAPSA-N 1 0 424.976 4.204 20 30 HIEDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000514247554 922589544 /nfs/dbraw/zinc/58/95/44/922589544.db2.gz BVEDGMDYJIQIJA-UHFFFAOYSA-N 1 0 417.509 4.371 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCSc4ccc(F)cc43)CC2)cc1 ZINC000514579801 922715950 /nfs/dbraw/zinc/71/59/50/922715950.db2.gz LEMZMYLCEITUPB-OAQYLSRUSA-N 1 0 424.545 4.152 20 30 HIEDRO C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000514830884 922818754 /nfs/dbraw/zinc/81/87/54/922818754.db2.gz GTPHZCKCWHKEMJ-HXUWFJFHSA-N 1 0 409.578 4.148 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@H]1c1cccs1 ZINC000514853001 922825089 /nfs/dbraw/zinc/82/50/89/922825089.db2.gz YQDNMLWIRUIWBK-UGKGYDQZSA-N 1 0 408.571 4.377 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@@H]1c1cccs1 ZINC000514853000 922825488 /nfs/dbraw/zinc/82/54/88/922825488.db2.gz YQDNMLWIRUIWBK-SIKLNZKXSA-N 1 0 408.571 4.377 20 30 HIEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)CSc2cccc(Cl)c2C#N)CC1 ZINC000514883971 922831734 /nfs/dbraw/zinc/83/17/34/922831734.db2.gz FKYHKAREUHHEMT-UHFFFAOYSA-N 1 0 413.974 4.393 20 30 HIEDRO CCC[N@H+](CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)Cc1ccc(C#N)cc1 ZINC000515134769 922943532 /nfs/dbraw/zinc/94/35/32/922943532.db2.gz DEYVHUQPFNKGLL-RUZDIDTESA-N 1 0 421.541 4.055 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C(=O)c1ccccc1)C(C)C ZINC000515289129 923035420 /nfs/dbraw/zinc/03/54/20/923035420.db2.gz IKYWLPWSTXAEFV-QFIPXVFZSA-N 1 0 412.603 4.492 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C(=O)c1ccccc1)C(C)C ZINC000515289128 923035940 /nfs/dbraw/zinc/03/59/40/923035940.db2.gz IKYWLPWSTXAEFV-JOCHJYFZSA-N 1 0 412.603 4.492 20 30 HIEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000516059724 923522947 /nfs/dbraw/zinc/52/29/47/923522947.db2.gz NOGYVFBXPHHXNF-UHFFFAOYSA-N 1 0 405.542 4.072 20 30 HIEDRO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3cccc(COc4ccccc4C#N)c3)n1)OC2 ZINC000517202673 924050272 /nfs/dbraw/zinc/05/02/72/924050272.db2.gz RORIYYZWEMHTDP-ZJSXRUAMSA-N 1 0 416.481 4.113 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(OC3CCCC3)c(OC)c2)CC1 ZINC000517317310 924098789 /nfs/dbraw/zinc/09/87/89/924098789.db2.gz DYDMWODKUIGIDU-GOSISDBHSA-N 1 0 415.578 4.417 20 30 HIEDRO C=CC[N@H+](Cc1csc(Br)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517529662 924247873 /nfs/dbraw/zinc/24/78/73/924247873.db2.gz IUMMBKWOVDGFHP-ZDUSSCGKSA-N 1 0 404.337 4.236 20 30 HIEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000517714458 926810177 /nfs/dbraw/zinc/81/01/77/926810177.db2.gz NLFMWUUEJIPZSO-NQIIRXRSSA-N 1 0 422.573 4.090 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000517751434 926821733 /nfs/dbraw/zinc/82/17/33/926821733.db2.gz DXXQJEYQRNUNAF-DNQXCXABSA-N 1 0 404.558 4.358 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3c[nH]c4ccc(OC)cc43)CC2)CC1 ZINC000517997734 926938900 /nfs/dbraw/zinc/93/89/00/926938900.db2.gz NTQWWVGKLNDWKM-UHFFFAOYSA-N 1 0 410.562 4.106 20 30 HIEDRO CCO[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)C12CCCC2 ZINC000518008121 926948690 /nfs/dbraw/zinc/94/86/90/926948690.db2.gz SJPPEZYFBBWWJU-MOPGFXCFSA-N 1 0 401.576 4.155 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3F)c2)CC1 ZINC000518496975 927309333 /nfs/dbraw/zinc/30/93/33/927309333.db2.gz PKQIYPHPCWZAQM-UHFFFAOYSA-N 1 0 409.505 4.157 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CC1 ZINC000518500878 927311934 /nfs/dbraw/zinc/31/19/34/927311934.db2.gz BVOGMSAMZOMQKU-UHFFFAOYSA-N 1 0 406.555 4.235 20 30 HIEDRO COc1cccc(CC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1OC ZINC000518771900 927485091 /nfs/dbraw/zinc/48/50/91/927485091.db2.gz QVUKKMZKEMNDNW-UHFFFAOYSA-N 1 0 402.494 4.487 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000519302467 927872055 /nfs/dbraw/zinc/87/20/55/927872055.db2.gz BATYDEZHGXKZOA-UHFFFAOYSA-N 1 0 423.557 4.066 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000519511562 928002560 /nfs/dbraw/zinc/00/25/60/928002560.db2.gz KERWVZRQHLCARK-JOCHJYFZSA-N 1 0 408.502 4.130 20 30 HIEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726079 928059941 /nfs/dbraw/zinc/05/99/41/928059941.db2.gz QTOGXSCVEIJGHG-LEWJYISDSA-N 1 0 424.614 4.146 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@@H](c2ccccc2)N(C)C)cc1OC ZINC000520210453 928391207 /nfs/dbraw/zinc/39/12/07/928391207.db2.gz OVHWBASOZASTJE-IBGZPJMESA-N 1 0 419.363 4.415 20 30 HIEDRO C[C@@H](Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000520246394 928414111 /nfs/dbraw/zinc/41/41/11/928414111.db2.gz GCFVBRXWVUPERD-YHLJFGAHSA-N 1 0 421.585 4.026 20 30 HIEDRO COc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1OC(F)F ZINC000520289931 928451829 /nfs/dbraw/zinc/45/18/29/928451829.db2.gz QHKJFMNILCRVKD-UHFFFAOYSA-N 1 0 406.404 4.351 20 30 HIEDRO CC[C@H]([NH2+]Cc1cccnc1Oc1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1 ZINC000520499869 928603697 /nfs/dbraw/zinc/60/36/97/928603697.db2.gz MNMWTKLYZDYXTC-QFIPXVFZSA-N 1 0 421.522 4.390 20 30 HIEDRO CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000520606913 928670507 /nfs/dbraw/zinc/67/05/07/928670507.db2.gz VBYJKYFHTUMXRC-UHFFFAOYSA-N 1 0 405.542 4.229 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000520697769 928744765 /nfs/dbraw/zinc/74/47/65/928744765.db2.gz RBUPDRKBAIJBGR-UHFFFAOYSA-N 1 0 418.541 4.494 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c3c2CCC3)CC1 ZINC000520722434 928772126 /nfs/dbraw/zinc/77/21/26/928772126.db2.gz YLXOGSLADDKBTJ-UHFFFAOYSA-N 1 0 419.356 4.048 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3ccc(F)cc3F)sc2C1 ZINC000520778919 928812855 /nfs/dbraw/zinc/81/28/55/928812855.db2.gz ZOFWDTGBCZNFFB-CYBMUJFWSA-N 1 0 403.498 4.483 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1)C1CC1 ZINC000520992900 928910077 /nfs/dbraw/zinc/91/00/77/928910077.db2.gz VQBLPPZHGHNRDH-NRFANRHFSA-N 1 0 420.532 4.080 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc(Cl)c4c(c3)OCCCO4)C2)c(F)c1 ZINC000520992606 928910334 /nfs/dbraw/zinc/91/03/34/928910334.db2.gz FWLWTBGVCRZDOI-QGZVFWFLSA-N 1 0 415.896 4.271 20 30 HIEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccccc1 ZINC000521007336 928922971 /nfs/dbraw/zinc/92/29/71/928922971.db2.gz JICPTBBPROJLPN-AWEZNQCLSA-N 1 0 402.445 4.411 20 30 HIEDRO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000521114110 929003379 /nfs/dbraw/zinc/00/33/79/929003379.db2.gz SWOMVRAYVKYYTR-HDICACEKSA-N 1 0 406.530 4.232 20 30 HIEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000521210819 929062455 /nfs/dbraw/zinc/06/24/55/929062455.db2.gz HASLSHFPMWUNTK-FQEVSTJZSA-N 1 0 406.530 4.183 20 30 HIEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N(Cc2ccc(C#N)cc2)C(C)C)CC1 ZINC000521419465 929212159 /nfs/dbraw/zinc/21/21/59/929212159.db2.gz SSZWHRPNTGGMFA-UHFFFAOYSA-N 1 0 404.558 4.451 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)CC1 ZINC000521573611 929305552 /nfs/dbraw/zinc/30/55/52/929305552.db2.gz IZQZVFVJKMSWQT-UHFFFAOYSA-N 1 0 412.534 4.305 20 30 HIEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000521782150 929441693 /nfs/dbraw/zinc/44/16/93/929441693.db2.gz AKSYYVGREXVIOG-XMMPIXPASA-N 1 0 404.558 4.390 20 30 HIEDRO Cc1ccc(C[N@H+](CCc2ccccc2)CC(=O)NCc2cccc(C#N)c2)s1 ZINC000521820976 929478102 /nfs/dbraw/zinc/47/81/02/929478102.db2.gz LSAWEGSGABVETJ-UHFFFAOYSA-N 1 0 403.551 4.289 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000521834185 929485407 /nfs/dbraw/zinc/48/54/07/929485407.db2.gz YTTRWXHRAAEXNI-VWLOTQADSA-N 1 0 411.505 4.028 20 30 HIEDRO C[C@@H](OC[C@H](O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000524666526 929781452 /nfs/dbraw/zinc/78/14/52/929781452.db2.gz CAVKGYRACXAXTE-DYESRHJHSA-N 1 0 414.933 4.194 20 30 HIEDRO C[NH+]1CCC(C#N)(NC(=O)CCc2c3cc(F)ccc3[nH]c2-c2ccccc2)CC1 ZINC000524686310 929797602 /nfs/dbraw/zinc/79/76/02/929797602.db2.gz LJERBIMTXOYXEA-UHFFFAOYSA-N 1 0 404.489 4.011 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](Cc3cc(Cl)ccc3OC)C2)CC1 ZINC000524946767 929908065 /nfs/dbraw/zinc/90/80/65/929908065.db2.gz KDGOMHNYTOSDAU-GOSISDBHSA-N 1 0 419.997 4.353 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)ccc1OC ZINC000524947050 929908175 /nfs/dbraw/zinc/90/81/75/929908175.db2.gz LEKXNVWLFSZXGH-NBGIEHNGSA-N 1 0 410.558 4.029 20 30 HIEDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1OC ZINC000525248420 930104577 /nfs/dbraw/zinc/10/45/77/930104577.db2.gz WHJQPHKNLMPEBL-IRXDYDNUSA-N 1 0 413.493 4.219 20 30 HIEDRO CCC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000525409575 930223426 /nfs/dbraw/zinc/22/34/26/930223426.db2.gz DOJMYTDVCYVSJH-HMXCVIKNSA-N 1 0 403.954 4.112 20 30 HIEDRO CCC[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000525409577 930223802 /nfs/dbraw/zinc/22/38/02/930223802.db2.gz DOJMYTDVCYVSJH-TYPHKJRUSA-N 1 0 403.954 4.112 20 30 HIEDRO N#CC1(CCC[NH2+]C2(c3cccc(Br)c3)CCOCC2)CCOCC1 ZINC000525460866 930254973 /nfs/dbraw/zinc/25/49/73/930254973.db2.gz SIGHXVAOTBBZBR-UHFFFAOYSA-N 1 0 407.352 4.145 20 30 HIEDRO N#Cc1ccccc1Oc1ccc(NC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1 ZINC000525826183 930459413 /nfs/dbraw/zinc/45/94/13/930459413.db2.gz NQJSJMLZINUYFT-UHFFFAOYSA-N 1 0 405.498 4.324 20 30 HIEDRO CCCc1c(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cnn1-c1cccc(C#N)c1 ZINC000525890636 930477513 /nfs/dbraw/zinc/47/75/13/930477513.db2.gz WVVYGCOQERODJT-NRFANRHFSA-N 1 0 420.561 4.179 20 30 HIEDRO CCC[NH+]1CCN(c2ccc(NC(=O)CCc3ccc(C#N)cc3)c(OCC)c2)CC1 ZINC000527061365 930578061 /nfs/dbraw/zinc/57/80/61/930578061.db2.gz LNWNLZZLFVGFBR-UHFFFAOYSA-N 1 0 420.557 4.060 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)Cc2cccc(C#N)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000530670021 930793518 /nfs/dbraw/zinc/79/35/18/930793518.db2.gz YTZRZXYXYJZFHB-DENIHFKCSA-N 1 0 415.459 4.319 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Cl)cc1 ZINC000530829386 930834080 /nfs/dbraw/zinc/83/40/80/930834080.db2.gz SNKQZNASVMHFEI-OAQYLSRUSA-N 1 0 420.900 4.432 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000531695240 931158799 /nfs/dbraw/zinc/15/87/99/931158799.db2.gz BWLGEGUMDZPUHR-DLBZAZTESA-N 1 0 409.511 4.042 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCN(c3ncccc3F)C2)c1 ZINC000531783327 931195573 /nfs/dbraw/zinc/19/55/73/931195573.db2.gz ZRARUAFUZVALOU-NRFANRHFSA-N 1 0 402.473 4.040 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]Cc2cnn(CC(F)(F)F)c2)c1 ZINC000532172026 931336347 /nfs/dbraw/zinc/33/63/47/931336347.db2.gz GHBVGPGDRBNERU-UHFFFAOYSA-N 1 0 400.404 4.186 20 30 HIEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]([C@@H](C)C2CC2)C2CC2)c1C#N ZINC000532489364 931458339 /nfs/dbraw/zinc/45/83/39/931458339.db2.gz GQBNBTUWKSZTRA-KRWDZBQOSA-N 1 0 408.521 4.365 20 30 HIEDRO C=CC[N@H+](Cc1ccc(-n2nc(C)cc2C)cc1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000532554331 931520532 /nfs/dbraw/zinc/52/05/32/931520532.db2.gz GTZBZTMGAWPOQW-FQEVSTJZSA-N 1 0 413.529 4.214 20 30 HIEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](C)Cc1ccc(OC)cc1 ZINC000532554612 931521641 /nfs/dbraw/zinc/52/16/41/931521641.db2.gz WNNUPWVPWQCFQV-MRXNPFEDSA-N 1 0 411.571 4.399 20 30 HIEDRO CC[C@H](C)[C@@H]([NH2+]Cc1ccc(C#N)cc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000532569147 931531185 /nfs/dbraw/zinc/53/11/85/931531185.db2.gz ROOVANSWVAFPGV-GAJHUEQPSA-N 1 0 408.521 4.441 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+]C2(c3ccccc3)CCOCC2)c1C#N ZINC000532708444 931600024 /nfs/dbraw/zinc/60/00/24/931600024.db2.gz AMBBKRUMDBAQTM-UHFFFAOYSA-N 1 0 420.557 4.326 20 30 HIEDRO CC(C)[N@@H+](C)CC1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000532951113 931709014 /nfs/dbraw/zinc/70/90/14/931709014.db2.gz SYKAHFSDHPCQBB-SFHVURJKSA-N 1 0 402.608 4.072 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000532973845 931722337 /nfs/dbraw/zinc/72/23/37/931722337.db2.gz UCVQASLBHPRZSX-ROUUACIJSA-N 1 0 414.619 4.166 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000532973843 931722580 /nfs/dbraw/zinc/72/25/80/931722580.db2.gz UCVQASLBHPRZSX-MSOLQXFVSA-N 1 0 414.619 4.166 20 30 HIEDRO C[C@@H]1CN([C@H](C[NH2+]Cc2ccc(C#N)cc2F)c2c(F)cccc2Cl)CCO1 ZINC000532989713 931728656 /nfs/dbraw/zinc/72/86/56/931728656.db2.gz UTLLMQBWYISJAQ-JLTOFOAXSA-N 1 0 405.876 4.041 20 30 HIEDRO FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000533004603 931733023 /nfs/dbraw/zinc/73/30/23/931733023.db2.gz DDPKKSOVXDYLNO-SFHVURJKSA-N 1 0 418.463 4.134 20 30 HIEDRO C=CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)CC1 ZINC000533286187 931828094 /nfs/dbraw/zinc/82/80/94/931828094.db2.gz ACQXOIRYOWVBHI-KRWDZBQOSA-N 1 0 407.514 4.173 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(Nc2cccc(OC)c2)CC1 ZINC000533310820 931835935 /nfs/dbraw/zinc/83/59/35/931835935.db2.gz VTQYESOTVPJPRT-GOSISDBHSA-N 1 0 413.587 4.236 20 30 HIEDRO COc1cccc(NC2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1 ZINC000533311151 931836531 /nfs/dbraw/zinc/83/65/31/931836531.db2.gz ROISTUBYKVHNBQ-UHFFFAOYSA-N 1 0 412.921 4.125 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCC[C@@H]([NH+]4CCCC4)CC3)sc2C1 ZINC000533426325 931865064 /nfs/dbraw/zinc/86/50/64/931865064.db2.gz IABHAIJEPCDNTG-ZWKOTPCHSA-N 1 0 414.619 4.023 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@H](c3ccccc3)C[C@@H]2C)c1C#N ZINC000533434993 931867798 /nfs/dbraw/zinc/86/77/98/931867798.db2.gz GPKQRYXAVXSQQH-LAUBAEHRSA-N 1 0 416.525 4.434 20 30 HIEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(c2c[nH]c3ncccc32)CC1 ZINC000533519643 931892323 /nfs/dbraw/zinc/89/23/23/931892323.db2.gz NPMCDZISNHIQNW-RKDDFOCISA-N 1 0 407.562 4.062 20 30 HIEDRO C[N@@H+]1CC[C@@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@@H]1c1ccccc1 ZINC000534018871 932201497 /nfs/dbraw/zinc/20/14/97/932201497.db2.gz IXKWDXZKXJEJDX-RPBOFIJWSA-N 1 0 411.505 4.312 20 30 HIEDRO N#CCc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000534647758 932620247 /nfs/dbraw/zinc/62/02/47/932620247.db2.gz WLLAZXUCOJPXGR-UHFFFAOYSA-N 1 0 401.432 4.120 20 30 HIEDRO Cc1ccc(C#N)cc1NC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534959160 932860209 /nfs/dbraw/zinc/86/02/09/932860209.db2.gz CYLJRBMQEBVBQF-UZLBHIALSA-N 1 0 400.885 4.474 20 30 HIEDRO COc1cc(C#N)ccc1C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000535045687 932891085 /nfs/dbraw/zinc/89/10/85/932891085.db2.gz KGLWYKBSUOWJPR-UHFFFAOYSA-N 1 0 401.304 4.125 20 30 HIEDRO CC(=O)c1ccc2c(c1)CCN([C@@H](C)C(=O)N(CCC#N)c1cc(C)cc(C)c1)CC2 ZINC000535213938 933019374 /nfs/dbraw/zinc/01/93/74/933019374.db2.gz AYPIDZSIBLOCLD-FQEVSTJZSA-N 1 0 417.553 4.242 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ncc(Br)s1 ZINC000535987957 933546629 /nfs/dbraw/zinc/54/66/29/933546629.db2.gz NEWNBKFRSXHEDJ-AAEUAGOBSA-N 1 0 409.328 4.236 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OCC ZINC000537618321 938335488 /nfs/dbraw/zinc/33/54/88/938335488.db2.gz UCALLBYEXFKMSH-SJORKVTESA-N 1 0 409.368 4.081 20 30 HIEDRO CN(Cc1cn(CCC#N)nc1-c1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537628131 938339092 /nfs/dbraw/zinc/33/90/92/938339092.db2.gz LKHRQRNCOXMIFV-HSZRJFAPSA-N 1 0 413.569 4.418 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@@H](C)C3(CCC3)C2)c1C#N ZINC000537842045 938387722 /nfs/dbraw/zinc/38/77/22/938387722.db2.gz VNNHFYOFCSGLRG-QGZVFWFLSA-N 1 0 408.546 4.459 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1ccsc1 ZINC000538069425 938493639 /nfs/dbraw/zinc/49/36/39/938493639.db2.gz MMNBLQHANFOWQJ-QFIPXVFZSA-N 1 0 404.539 4.389 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1cccc(OC(C)C)c1 ZINC000538126037 938511762 /nfs/dbraw/zinc/51/17/62/938511762.db2.gz SNGXDIUJWACSAE-OALUTQOASA-N 1 0 409.530 4.468 20 30 HIEDRO Cc1oc(NC(=O)C[NH2+][C@@H](C)c2cccc(OCc3ccccn3)c2)c(C#N)c1C ZINC000538153517 938525500 /nfs/dbraw/zinc/52/55/00/938525500.db2.gz TVEGQAZUQAIMRY-INIZCTEOSA-N 1 0 404.470 4.031 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)c1C#N ZINC000538186792 938542696 /nfs/dbraw/zinc/54/26/96/938542696.db2.gz BSCIRCCZYLLSKQ-GBXCKJPGSA-N 1 0 420.557 4.398 20 30 HIEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1 ZINC000538209234 938556902 /nfs/dbraw/zinc/55/69/02/938556902.db2.gz YPUKMSHSYKSFGD-HSZRJFAPSA-N 1 0 405.448 4.026 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000538277950 938582055 /nfs/dbraw/zinc/58/20/55/938582055.db2.gz WBTSQWMFHSMZAN-RTBURBONSA-N 1 0 408.521 4.412 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(C)n(-c3ccc(Cl)cc3Cl)n2)CC1 ZINC000538481668 938631907 /nfs/dbraw/zinc/63/19/07/938631907.db2.gz LLJVUFHAGOFTKG-UHFFFAOYSA-N 1 0 407.345 4.258 20 30 HIEDRO N#CC1(c2ccc(C(=O)NCCCOC3CC[NH+](Cc4ccccc4)CC3)cc2)CC1 ZINC000538572999 938652585 /nfs/dbraw/zinc/65/25/85/938652585.db2.gz NUSHPRZFIHZBFL-UHFFFAOYSA-N 1 0 417.553 4.043 20 30 HIEDRO C=CCOc1c(Br)cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCC ZINC000538717011 938689029 /nfs/dbraw/zinc/68/90/29/938689029.db2.gz WOTVAJJRWNISHK-NVXWUHKLSA-N 1 0 411.384 4.327 20 30 HIEDRO C[C@@H](Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000538755211 938703277 /nfs/dbraw/zinc/70/32/77/938703277.db2.gz FGZQCMVRXXRGCI-MRXNPFEDSA-N 1 0 408.571 4.186 20 30 HIEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)c(-c2ccccc2)n1 ZINC000538760685 938704363 /nfs/dbraw/zinc/70/43/63/938704363.db2.gz FETDWSDQMHXYHA-IBGZPJMESA-N 1 0 402.502 4.104 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2Cn2cnc3ccccc32)c1C ZINC000538782859 938709844 /nfs/dbraw/zinc/70/98/44/938709844.db2.gz JRMRXMIPMMVIGU-OAQYLSRUSA-N 1 0 415.541 4.064 20 30 HIEDRO C[C@@H]([NH2+]CCSCc1ccccc1C#N)c1ccc(OCc2nccn2C)cc1 ZINC000539071554 938794242 /nfs/dbraw/zinc/79/42/42/938794242.db2.gz WOARTOWTQRKHND-GOSISDBHSA-N 1 0 406.555 4.455 20 30 HIEDRO C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000539083494 938799199 /nfs/dbraw/zinc/79/91/99/938799199.db2.gz ZSILGGWBJGQKIB-GOCUJINYSA-N 1 0 419.569 4.300 20 30 HIEDRO C[C@@H](Cc1ccccc1)n1cccc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000539122256 938806326 /nfs/dbraw/zinc/80/63/26/938806326.db2.gz WARGBXDRAOITED-NRFANRHFSA-N 1 0 414.553 4.367 20 30 HIEDRO Cc1cc(C#N)cnc1C(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000563496063 945205721 /nfs/dbraw/zinc/20/57/21/945205721.db2.gz YPCJPEQRCDRQED-UHFFFAOYSA-N 1 0 405.329 4.163 20 30 HIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1ccc(OCc2cccnc2)cc1 ZINC000539226993 938821847 /nfs/dbraw/zinc/82/18/47/938821847.db2.gz MVSPEBROLWYBAN-MRXNPFEDSA-N 1 0 406.511 4.273 20 30 HIEDRO COc1cccc([C@@H](C)[NH2+]CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)c1 ZINC000539229392 938822454 /nfs/dbraw/zinc/82/24/54/938822454.db2.gz HIGMGPMGKFXWMJ-QGZVFWFLSA-N 1 0 420.513 4.306 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1-n1cccn1 ZINC000539261344 938829202 /nfs/dbraw/zinc/82/92/02/938829202.db2.gz OKNRGESVDHTXQY-INIZCTEOSA-N 1 0 419.554 4.364 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1C#N ZINC000539270754 938831076 /nfs/dbraw/zinc/83/10/76/938831076.db2.gz WRBVMBVAHIQURV-MRXNPFEDSA-N 1 0 422.529 4.500 20 30 HIEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1C#N ZINC000539279356 938832402 /nfs/dbraw/zinc/83/24/02/938832402.db2.gz NDZNZIGZFPUDKJ-INIZCTEOSA-N 1 0 417.469 4.163 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000539279154 938832538 /nfs/dbraw/zinc/83/25/38/938832538.db2.gz DOYQXRXADIHRTH-MRXNPFEDSA-N 1 0 416.456 4.239 20 30 HIEDRO COc1cc(C)c([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1OC ZINC000539297625 938835855 /nfs/dbraw/zinc/83/58/55/938835855.db2.gz HZEASDJCMRPEBA-INIZCTEOSA-N 1 0 415.921 4.263 20 30 HIEDRO COc1cc(C)c([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1OC ZINC000539297537 938835982 /nfs/dbraw/zinc/83/59/82/938835982.db2.gz LBWJUWMVEHNYKX-LJQANCHMSA-N 1 0 409.530 4.227 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000539299489 938836553 /nfs/dbraw/zinc/83/65/53/938836553.db2.gz UDRGKHQXNMPNIQ-SJORKVTESA-N 1 0 402.560 4.328 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(NCc3cc(F)ccc3Br)CC2)cc1 ZINC000539494188 938868177 /nfs/dbraw/zinc/86/81/77/938868177.db2.gz AGSUIBVOXPFQKJ-UHFFFAOYSA-N 1 0 402.311 4.214 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cc(Cl)sc1Cl ZINC000540015608 939040365 /nfs/dbraw/zinc/04/03/65/939040365.db2.gz DMGKNEXSNBLTLP-UHFFFAOYSA-N 1 0 411.358 4.200 20 30 HIEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 ZINC000540310565 939189886 /nfs/dbraw/zinc/18/98/86/939189886.db2.gz JBHJOKJCKXTGDJ-UHFFFAOYSA-N 1 0 402.498 4.092 20 30 HIEDRO C[NH+](C)CCCC1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000540311366 939190178 /nfs/dbraw/zinc/19/01/78/939190178.db2.gz VTDOGDPTXWZAPU-UHFFFAOYSA-N 1 0 404.558 4.489 20 30 HIEDRO CCOc1ccc([C@@H]([NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)C(C)C)cc1OCC ZINC000540342338 939200963 /nfs/dbraw/zinc/20/09/63/939200963.db2.gz AFVRZPQWPVDGEJ-QFIPXVFZSA-N 1 0 413.518 4.491 20 30 HIEDRO COc1cc([C@@H](C)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)ccc1OCCC(C)C ZINC000540378752 939219095 /nfs/dbraw/zinc/21/90/95/939219095.db2.gz CRJNZRLVKGNRDM-MRXNPFEDSA-N 1 0 413.518 4.491 20 30 HIEDRO COCCSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000540405085 939236439 /nfs/dbraw/zinc/23/64/39/939236439.db2.gz UMCRWMWDNMLOFA-CQSZACIVSA-N 1 0 403.935 4.239 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+]C(C)(C)c2ccc(F)c(F)c2)cc1 ZINC000540436300 939248741 /nfs/dbraw/zinc/24/87/41/939248741.db2.gz NKPAOXWDPSYYQG-UHFFFAOYSA-N 1 0 401.457 4.135 20 30 HIEDRO CCN(C[C@@H](C)C#N)C(=O)C[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000540522206 939286629 /nfs/dbraw/zinc/28/66/29/939286629.db2.gz QIDIKNFHQGTSAN-KPZWWZAWSA-N 1 0 401.860 4.408 20 30 HIEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000540588897 939312471 /nfs/dbraw/zinc/31/24/71/939312471.db2.gz HIVUYFCOFRVLHX-UHFFFAOYSA-N 1 0 423.369 4.467 20 30 HIEDRO Cc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(OC[C@H]2CCCO2)c1 ZINC000540594789 939314043 /nfs/dbraw/zinc/31/40/43/939314043.db2.gz OKVOOGQXGZXUJX-RUZDIDTESA-N 1 0 419.569 4.179 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cccc(COCC(F)(F)F)c3)CC2)cc1 ZINC000540605726 939317656 /nfs/dbraw/zinc/31/76/56/939317656.db2.gz IZZPHZNFEBIMJS-UHFFFAOYSA-N 1 0 417.475 4.391 20 30 HIEDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000540741286 939355180 /nfs/dbraw/zinc/35/51/80/939355180.db2.gz HTHOAWJPZKALQY-DYESRHJHSA-N 1 0 411.908 4.457 20 30 HIEDRO COc1ccccc1COC[C@@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541086475 939455101 /nfs/dbraw/zinc/45/51/01/939455101.db2.gz DZRAFVMUWOLYAZ-CLOONOSVSA-N 1 0 416.521 4.462 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000541104111 939461585 /nfs/dbraw/zinc/46/15/85/939461585.db2.gz XFYWYCXYYDQSBL-HKUYNNGSSA-N 1 0 424.524 4.001 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(CCCn3ccnc3)CC2)c1 ZINC000541201943 939485391 /nfs/dbraw/zinc/48/53/91/939485391.db2.gz CVFXUJGKXZKRKV-QFIPXVFZSA-N 1 0 421.589 4.328 20 30 HIEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000541654146 939589451 /nfs/dbraw/zinc/58/94/51/939589451.db2.gz FGFOBKLNYNXNES-CQSZACIVSA-N 1 0 408.502 4.096 20 30 HIEDRO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541700971 939608386 /nfs/dbraw/zinc/60/83/86/939608386.db2.gz BACRHHMWTZXVKQ-QUCCMNQESA-N 1 0 401.869 4.141 20 30 HIEDRO C[C@H]1[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)CCC12CCOCC2 ZINC000541717684 939613319 /nfs/dbraw/zinc/61/33/19/939613319.db2.gz DLGWGNIPUKPCIL-MRXNPFEDSA-N 1 0 401.576 4.108 20 30 HIEDRO Cc1nn(C)c(C)c1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542004090 939679676 /nfs/dbraw/zinc/67/96/76/939679676.db2.gz CFWJCPQDRGFGFT-RDJZCZTQSA-N 1 0 401.514 4.253 20 30 HIEDRO CC[NH+](CC)CCCC1CCN(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)CC1 ZINC000542092868 939708589 /nfs/dbraw/zinc/70/85/89/939708589.db2.gz FNKQDIWGNCRDOB-UHFFFAOYSA-N 1 0 407.562 4.027 20 30 HIEDRO C[S@@](=O)Cc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1Cl ZINC000542186819 939749267 /nfs/dbraw/zinc/74/92/67/939749267.db2.gz RKENBERKXNFQPS-HHHXNRCGSA-N 1 0 401.963 4.167 20 30 HIEDRO C[C@H](CCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[NH+]1CCCCC1 ZINC000542364603 939808082 /nfs/dbraw/zinc/80/80/82/939808082.db2.gz NCKYKXKSLDHSGJ-GOSISDBHSA-N 1 0 419.529 4.197 20 30 HIEDRO CCc1ccc([C@H](COC)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)o1 ZINC000542557498 939843410 /nfs/dbraw/zinc/84/34/10/939843410.db2.gz QEBPHSAEKJDKPF-SFHVURJKSA-N 1 0 415.559 4.350 20 30 HIEDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000542860963 939863689 /nfs/dbraw/zinc/86/36/89/939863689.db2.gz ZIROHUBRRZPDDC-IBGZPJMESA-N 1 0 404.558 4.297 20 30 HIEDRO COc1ccc2c(c1)C[C@@H](C)[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)[C@@H]2C ZINC000542880767 939864999 /nfs/dbraw/zinc/86/49/99/939864999.db2.gz HBPIYJUXZPKZTE-HUUCEWRRSA-N 1 0 409.555 4.453 20 30 HIEDRO Cc1ccc(C[N@@H+]2CCCN(C(=O)CSc3cccc(Cl)c3C#N)CC2)cc1 ZINC000543032133 939899183 /nfs/dbraw/zinc/89/91/83/939899183.db2.gz QFNUFZPZTFFGLK-UHFFFAOYSA-N 1 0 413.974 4.347 20 30 HIEDRO CN(C(=O)C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1)C1(C#N)CCCCC1 ZINC000543051288 939909366 /nfs/dbraw/zinc/90/93/66/939909366.db2.gz BIHHOPLNUKDZOB-OAQYLSRUSA-N 1 0 410.949 4.293 20 30 HIEDRO N#Cc1cnn2c1NC[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)c1ccccc1Cl)C2 ZINC000563756476 945286118 /nfs/dbraw/zinc/28/61/18/945286118.db2.gz VWEWMOLVAWFDBW-VBKZILBWSA-N 1 0 412.324 4.482 20 30 HIEDRO C=CC[N@H+](Cc1cn(C)nc1C1CCCCC1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000543397104 940051202 /nfs/dbraw/zinc/05/12/02/940051202.db2.gz YXMABDYWZMLENP-GOSISDBHSA-N 1 0 405.550 4.193 20 30 HIEDRO N#Cc1ccc2ncc(C[NH2+]C3CCN(Cc4cc(Cl)cc(Cl)c4)CC3)n2c1 ZINC000543411500 940057112 /nfs/dbraw/zinc/05/71/12/940057112.db2.gz PFNSWAFOGHNOMX-UHFFFAOYSA-N 1 0 414.340 4.267 20 30 HIEDRO COCC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccco1 ZINC000543461159 940070727 /nfs/dbraw/zinc/07/07/27/940070727.db2.gz VXRRMGAESSFIKY-QGZVFWFLSA-N 1 0 401.532 4.178 20 30 HIEDRO COc1ccccc1C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C)C(C)C ZINC000543498302 940085646 /nfs/dbraw/zinc/08/56/46/940085646.db2.gz WCERXIWZPGDIMY-QFIPXVFZSA-N 1 0 407.558 4.416 20 30 HIEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000543517116 940093391 /nfs/dbraw/zinc/09/33/91/940093391.db2.gz MPHHQRKVCBNQRN-OXJNMPFZSA-N 1 0 407.539 4.389 20 30 HIEDRO CN(CCC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)c1cc[nH+]cc1 ZINC000543714418 940168512 /nfs/dbraw/zinc/16/85/12/940168512.db2.gz MDCRDSRHGVTOFZ-UHFFFAOYSA-N 1 0 402.473 4.148 20 30 HIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1 ZINC000543813529 940195292 /nfs/dbraw/zinc/19/52/92/940195292.db2.gz GGUKVUJZQDSTDZ-QGZVFWFLSA-N 1 0 421.932 4.432 20 30 HIEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000544125634 940332367 /nfs/dbraw/zinc/33/23/67/940332367.db2.gz NIVLEVWTTRNYFU-NIDLKEISSA-N 1 0 405.542 4.234 20 30 HIEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000544462526 940441674 /nfs/dbraw/zinc/44/16/74/940441674.db2.gz ZAPNOLGEFCIYPH-HUUCEWRRSA-N 1 0 410.461 4.133 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC3(CCOCC3)[C@H]2C)c1C#N ZINC000544548521 940476941 /nfs/dbraw/zinc/47/69/41/940476941.db2.gz BQRDZZDEOPGLGK-LJQANCHMSA-N 1 0 412.578 4.311 20 30 HIEDRO CS[C@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000544686984 940502536 /nfs/dbraw/zinc/50/25/36/940502536.db2.gz NIDMJTBBOCBVEY-UGKGYDQZSA-N 1 0 423.607 4.361 20 30 HIEDRO CS[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@@H]1[NH+]1CCCC1 ZINC000544686983 940502553 /nfs/dbraw/zinc/50/25/53/940502553.db2.gz NIDMJTBBOCBVEY-SIKLNZKXSA-N 1 0 423.607 4.361 20 30 HIEDRO Cc1nn(CCC#N)c(C)c1CCc1nc(-c2ccccc2C[NH+]2CCCCC2)no1 ZINC000545698931 940581404 /nfs/dbraw/zinc/58/14/04/940581404.db2.gz LCIHGDDHUXMOTR-UHFFFAOYSA-N 1 0 418.545 4.235 20 30 HIEDRO N#Cc1cc(N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000563987269 945336665 /nfs/dbraw/zinc/33/66/65/945336665.db2.gz YNGFVMSPASSONZ-DEOSSOPVSA-N 1 0 413.481 4.117 20 30 HIEDRO COc1cc(C#N)ccc1OCc1nc(-c2ccc(C[NH+]3CCC(C)CC3)cc2)no1 ZINC000546980558 940935644 /nfs/dbraw/zinc/93/56/44/940935644.db2.gz GKQRPNAYWXXBAN-UHFFFAOYSA-N 1 0 418.497 4.428 20 30 HIEDRO N#CC1(c2ccccn2)CC[NH+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000548858514 941126952 /nfs/dbraw/zinc/12/69/52/941126952.db2.gz FVGSYIUVSHGNCQ-UHFFFAOYSA-N 1 0 411.431 4.343 20 30 HIEDRO C[NH+](C)C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1ccc(Cl)cc1 ZINC000549230906 941172517 /nfs/dbraw/zinc/17/25/17/941172517.db2.gz UBUZKBBCBYGKDZ-OAQYLSRUSA-N 1 0 420.900 4.432 20 30 HIEDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)c2ccccc21 ZINC000549236104 941172920 /nfs/dbraw/zinc/17/29/20/941172920.db2.gz XFNDIWMISBYODG-SAVSZJDKSA-N 1 0 419.525 4.415 20 30 HIEDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)c2ccccc21 ZINC000549236102 941172985 /nfs/dbraw/zinc/17/29/85/941172985.db2.gz XFNDIWMISBYODG-IEDZXBAOSA-N 1 0 419.525 4.415 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000549287181 941177080 /nfs/dbraw/zinc/17/70/80/941177080.db2.gz HNOPBGVIQNUDHE-NFBKMPQASA-N 1 0 421.589 4.195 20 30 HIEDRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)CC1 ZINC000549419873 941188071 /nfs/dbraw/zinc/18/80/71/941188071.db2.gz QDQBYCBDCVQRMW-UHFFFAOYSA-N 1 0 408.594 4.421 20 30 HIEDRO C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549637339 941202332 /nfs/dbraw/zinc/20/23/32/941202332.db2.gz DUXFEJVEEOJCNN-IBGZPJMESA-N 1 0 404.562 4.078 20 30 HIEDRO N#Cc1cc(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)ccc1F ZINC000549749158 941206352 /nfs/dbraw/zinc/20/63/52/941206352.db2.gz JWWVNSMQMBITNB-UHFFFAOYSA-N 1 0 421.285 4.480 20 30 HIEDRO CC[C@@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)[N@H+](C)Cc1ccccc1 ZINC000549806945 941207894 /nfs/dbraw/zinc/20/78/94/941207894.db2.gz BIWDATMUAFTJLI-OALUTQOASA-N 1 0 400.320 4.041 20 30 HIEDRO C=CCc1cc(C[NH2+][C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)cc(OC)c1O ZINC000549861617 941219434 /nfs/dbraw/zinc/21/94/34/941219434.db2.gz XIBXSWNCSLNRBV-HRAATJIYSA-N 1 0 412.505 4.110 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000550287542 941309800 /nfs/dbraw/zinc/30/98/00/941309800.db2.gz XSKKSPIDODMTJO-UONOGXRCSA-N 1 0 423.517 4.111 20 30 HIEDRO C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)cc1F ZINC000551263487 941438853 /nfs/dbraw/zinc/43/88/53/941438853.db2.gz RMMKJOHSXXCUKW-SIKLNZKXSA-N 1 0 407.533 4.277 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cscc2C#N)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000551288912 941443911 /nfs/dbraw/zinc/44/39/11/941443911.db2.gz BWWOJHJYCGTZPB-RDTXWAMCSA-N 1 0 407.461 4.451 20 30 HIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CC2)c1C#N ZINC000551412536 941473064 /nfs/dbraw/zinc/47/30/64/941473064.db2.gz YDTZAADVTNVTJK-UHFFFAOYSA-N 1 0 423.520 4.114 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000551708284 941530510 /nfs/dbraw/zinc/53/05/10/941530510.db2.gz PORAMJQBTFJQSK-INIZCTEOSA-N 1 0 418.584 4.048 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+]C(C)(C)c1ccc(Cl)cc1 ZINC000551721521 941533327 /nfs/dbraw/zinc/53/33/27/941533327.db2.gz XUBPSITZHFVLMP-UHFFFAOYSA-N 1 0 416.953 4.130 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]C[C@@]3(Cc4ccc(F)cc4)CCC[C@H]3O)CC2)cc1 ZINC000552056777 941575490 /nfs/dbraw/zinc/57/54/90/941575490.db2.gz RORGTXCBZDWZMU-RPBOFIJWSA-N 1 0 407.533 4.030 20 30 HIEDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000552895132 941799630 /nfs/dbraw/zinc/79/96/30/941799630.db2.gz FANYNEMLIRHCGL-SFHVURJKSA-N 1 0 416.997 4.055 20 30 HIEDRO N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccccc3)CC2)c(F)c1 ZINC000553541262 941905098 /nfs/dbraw/zinc/90/50/98/941905098.db2.gz WOVMZNVRZDESTD-QHCPKHFHSA-N 1 0 421.516 4.122 20 30 HIEDRO CC[NH+](CC)[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000553542419 941905726 /nfs/dbraw/zinc/90/57/26/941905726.db2.gz FRWAZFVKZPPJKU-QHCPKHFHSA-N 1 0 409.505 4.150 20 30 HIEDRO Cc1ccsc1C[N@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000553660709 941937925 /nfs/dbraw/zinc/93/79/25/941937925.db2.gz VAJWLOJYQJTZHL-UHFFFAOYSA-N 1 0 410.543 4.448 20 30 HIEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@@H](C)C1 ZINC000553769591 941962967 /nfs/dbraw/zinc/96/29/67/941962967.db2.gz IOLPQJFJDQUKHJ-GSHUGGBRSA-N 1 0 407.489 4.292 20 30 HIEDRO C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C[C@@H](C)C1 ZINC000553767864 941963390 /nfs/dbraw/zinc/96/33/90/941963390.db2.gz LLUZFIVUHWCBOF-XLNZFTOWSA-N 1 0 403.526 4.347 20 30 HIEDRO C=CC1CCN(C(=O)NCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000554119521 942041433 /nfs/dbraw/zinc/04/14/33/942041433.db2.gz ZLTVLDKKTICBCB-UHFFFAOYSA-N 1 0 418.585 4.116 20 30 HIEDRO C=C(C)COc1cccc(NC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000554466487 942152753 /nfs/dbraw/zinc/15/27/53/942152753.db2.gz JAZSNMDQWKLPEY-UHFFFAOYSA-N 1 0 409.530 4.438 20 30 HIEDRO C=CCn1c(-c2ccccn2)nnc1N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000554930593 942323783 /nfs/dbraw/zinc/32/37/83/942323783.db2.gz MXKUYWXGZPZWGD-TZIWHRDSSA-N 1 0 402.546 4.188 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CCN(C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555131391 942396348 /nfs/dbraw/zinc/39/63/48/942396348.db2.gz MUUFDPQOSJNXJK-VCOUNFBDSA-N 1 0 422.976 4.037 20 30 HIEDRO CCN1CC[C@@H]([NH2+]CCOc2ccc(C#N)cc2OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555132200 942396657 /nfs/dbraw/zinc/39/66/57/942396657.db2.gz HAGSKALNMMHYDU-DENIHFKCSA-N 1 0 417.912 4.163 20 30 HIEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000555238329 942441455 /nfs/dbraw/zinc/44/14/55/942441455.db2.gz MRLPGJCPKCMZAD-OAQYLSRUSA-N 1 0 409.578 4.054 20 30 HIEDRO C=C(C)Cn1c(N2CC[C@@H](C[NH+](CC)CC)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000555263745 942452211 /nfs/dbraw/zinc/45/22/11/942452211.db2.gz IRVPSUYZXYKTKF-SFHVURJKSA-N 1 0 419.520 4.151 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000555273467 942458788 /nfs/dbraw/zinc/45/87/88/942458788.db2.gz XOKKGMIJWCXMQG-SFHVURJKSA-N 1 0 413.541 4.198 20 30 HIEDRO C=CCc1cc(C[NH2+][C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc(OC)c1O ZINC000555627820 942678429 /nfs/dbraw/zinc/67/84/29/942678429.db2.gz YDXYQTVNQYBKAB-HRAATJIYSA-N 1 0 412.505 4.110 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000556259753 942827980 /nfs/dbraw/zinc/82/79/80/942827980.db2.gz FBVYRGWQEYXCIU-UHFFFAOYSA-N 1 0 416.974 4.498 20 30 HIEDRO Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000556341321 942845842 /nfs/dbraw/zinc/84/58/42/942845842.db2.gz NXCWWMQULNGNKM-HXUWFJFHSA-N 1 0 421.928 4.126 20 30 HIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000556878545 942948121 /nfs/dbraw/zinc/94/81/21/942948121.db2.gz YSYINKGYCOWVKO-GIFXNVAJSA-N 1 0 419.569 4.491 20 30 HIEDRO CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000556889844 942953505 /nfs/dbraw/zinc/95/35/05/942953505.db2.gz GZMCZVNYDSZFGF-HXUWFJFHSA-N 1 0 407.533 4.346 20 30 HIEDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556954528 942978225 /nfs/dbraw/zinc/97/82/25/942978225.db2.gz BEKJQVINVXSMDD-AUUYWEPGSA-N 1 0 406.288 4.427 20 30 HIEDRO Cc1ccc(-c2noc([C@@H](C)[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)n2)cc1F ZINC000557765578 943285409 /nfs/dbraw/zinc/28/54/09/943285409.db2.gz AMNFVNITCMUWMJ-MRXNPFEDSA-N 1 0 405.477 4.375 20 30 HIEDRO CCOC(=O)c1c(-c2ccco2)csc1NC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000558740558 943636953 /nfs/dbraw/zinc/63/69/53/943636953.db2.gz AOYBWLDSROKRAT-AWEZNQCLSA-N 1 0 423.494 4.346 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000558740923 943636980 /nfs/dbraw/zinc/63/69/80/943636980.db2.gz FFUOMWWLJKERLE-OSPHWJPCSA-N 1 0 401.535 4.445 20 30 HIEDRO COc1ccc(-c2csc(NC(=O)[C@H](C)[NH2+][C@H](C)c3ccc(C#N)cc3)n2)cc1 ZINC000558741602 943637430 /nfs/dbraw/zinc/63/74/30/943637430.db2.gz JHBAZLYZTUQUCM-CABCVRRESA-N 1 0 406.511 4.368 20 30 HIEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000559003493 943798763 /nfs/dbraw/zinc/79/87/63/943798763.db2.gz JAUHMQMMGFTSQT-LJQANCHMSA-N 1 0 406.578 4.094 20 30 HIEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000559003489 943798971 /nfs/dbraw/zinc/79/89/71/943798971.db2.gz JAUHMQMMGFTSQT-IBGZPJMESA-N 1 0 406.578 4.094 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000559022086 943807547 /nfs/dbraw/zinc/80/75/47/943807547.db2.gz DNDDVUKPIHCTDM-QGZVFWFLSA-N 1 0 401.530 4.100 20 30 HIEDRO C=CC[N@H+](Cc1ccc(C)cc1-c1ccnn1C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000559068399 943823433 /nfs/dbraw/zinc/82/34/33/943823433.db2.gz ROJNFXYSFRJKML-IBGZPJMESA-N 1 0 413.529 4.120 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000559758330 944046046 /nfs/dbraw/zinc/04/60/46/944046046.db2.gz DFNHFHVHQJDHFI-HNNXBMFYSA-N 1 0 415.525 4.156 20 30 HIEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000560181237 944189665 /nfs/dbraw/zinc/18/96/65/944189665.db2.gz WWZVJSZZCWZFQE-FPOVZHCZSA-N 1 0 417.347 4.053 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]C3CCN(Cc4ccc(Cl)cc4)CC3)CC2)cc1 ZINC000560518735 944241931 /nfs/dbraw/zinc/24/19/31/944241931.db2.gz XGOAOXOAUNDEJL-UHFFFAOYSA-N 1 0 408.977 4.435 20 30 HIEDRO Cc1ccc(COc2ccc(C[C@@H](C)[NH2+]Cc3cnc4c(C#N)cnn4c3)cc2)cc1 ZINC000560807575 944340335 /nfs/dbraw/zinc/34/03/35/944340335.db2.gz UGCSBHJVFXQQTC-LJQANCHMSA-N 1 0 411.509 4.209 20 30 HIEDRO CCN(CC[NH+]1CCCCCC1)CC(=O)Nc1ccccc1S[C@H](C)CC#N ZINC000561901220 944845943 /nfs/dbraw/zinc/84/59/43/944845943.db2.gz SMDLJPULGYNSGD-LJQANCHMSA-N 1 0 402.608 4.217 20 30 HIEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccco1 ZINC000562086310 944930015 /nfs/dbraw/zinc/93/00/15/944930015.db2.gz ATXQMJJPANAHBX-CZUORRHYSA-N 1 0 424.423 4.343 20 30 HIEDRO CSC1(CNC(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CC[NH+](C)CC1 ZINC000564422087 945573904 /nfs/dbraw/zinc/57/39/04/945573904.db2.gz VMXCBSDAJTVMOZ-UHFFFAOYSA-N 1 0 410.543 4.299 20 30 HIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCN(Cc3cccc(C(F)(F)F)c3)C1=O)CC2 ZINC000564433081 945580660 /nfs/dbraw/zinc/58/06/60/945580660.db2.gz HINSOVCZFYLYBH-LEWJYISDSA-N 1 0 413.443 4.345 20 30 HIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C1CCN(C(=O)c3ccccc3C(F)(F)F)CC1)CC2 ZINC000564496569 945625718 /nfs/dbraw/zinc/62/57/18/945625718.db2.gz KMODMRZPSCPLPF-NRFANRHFSA-N 1 0 413.443 4.459 20 30 HIEDRO C[C@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000566038987 945988988 /nfs/dbraw/zinc/98/89/88/945988988.db2.gz UMGAWZAALZPTDJ-MBSDFSHPSA-N 1 0 421.516 4.145 20 30 HIEDRO C[NH+](C)C[C@@H](NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(F)cc1 ZINC000566591311 946051311 /nfs/dbraw/zinc/05/13/11/946051311.db2.gz XHEDFNFKTFTUDA-JOCHJYFZSA-N 1 0 419.460 4.309 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC3(CCC3)[C@@H]2[C@H]2CCCO2)sc2c1CCCCC2 ZINC000567087314 946237905 /nfs/dbraw/zinc/23/79/05/946237905.db2.gz PRGWEEZOPXCZDR-NQIIRXRSSA-N 1 0 413.587 4.251 20 30 HIEDRO CC(C)([C@H](NC(=O)Cc1c(F)cccc1C#N)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000567415719 946330990 /nfs/dbraw/zinc/33/09/90/946330990.db2.gz NYCRZRFSKXUEQA-JOCHJYFZSA-N 1 0 415.459 4.250 20 30 HIEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)[C@H]1CCOC(C)(C)C1 ZINC000568331464 946512720 /nfs/dbraw/zinc/51/27/20/946512720.db2.gz ASKXJQDLMSHTTR-IBGZPJMESA-N 1 0 400.567 4.310 20 30 HIEDRO CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000568430641 946541119 /nfs/dbraw/zinc/54/11/19/946541119.db2.gz ZAIZEKKZMMXYOC-FQEVSTJZSA-N 1 0 416.997 4.151 20 30 HIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000569149191 946823809 /nfs/dbraw/zinc/82/38/09/946823809.db2.gz LGURNPVRCMBQPW-UHFFFAOYSA-N 1 0 405.420 4.054 20 30 HIEDRO CC(C)(CO)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cccs1 ZINC000569508205 946882398 /nfs/dbraw/zinc/88/23/98/946882398.db2.gz PNHDOSXIZSMHMR-LJQANCHMSA-N 1 0 417.600 4.238 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000569890777 947037018 /nfs/dbraw/zinc/03/70/18/947037018.db2.gz QCEQNDGRKIFGQG-LJQANCHMSA-N 1 0 405.546 4.289 20 30 HIEDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(C)c1OC ZINC000571033038 947447662 /nfs/dbraw/zinc/44/76/62/947447662.db2.gz DXQHHJOPCWYSOG-UONOGXRCSA-N 1 0 413.543 4.112 20 30 HIEDRO COc1cccc([C@@H](C[NH2+]C[C@@H](C#N)CCC#N)c2c[nH]c3ccccc32)c1OC ZINC000571945723 947819074 /nfs/dbraw/zinc/81/90/74/947819074.db2.gz QASCLVPSGQLBNG-YLJYHZDGSA-N 1 0 402.498 4.350 20 30 HIEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)c(C(F)(F)F)c1 ZINC000572143235 947849480 /nfs/dbraw/zinc/84/94/80/947849480.db2.gz VKFLEYOYNJCWBU-OAHLLOKOSA-N 1 0 418.337 4.125 20 30 HIEDRO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573142564 948087644 /nfs/dbraw/zinc/08/76/44/948087644.db2.gz ARYBCZSLWITYCQ-MJGOQNOKSA-N 1 0 409.839 4.487 20 30 HIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)c(C(F)(F)F)c1 ZINC000574370153 948426286 /nfs/dbraw/zinc/42/62/86/948426286.db2.gz WTFDKBMKYKZJNY-UHFFFAOYSA-N 1 0 418.415 4.144 20 30 HIEDRO CSC1(CNC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)CC[NH+](C)CC1 ZINC000574492130 948459081 /nfs/dbraw/zinc/45/90/81/948459081.db2.gz WTSWZYNYAXILAU-UHFFFAOYSA-N 1 0 413.518 4.047 20 30 HIEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000006949606 569188443 /nfs/dbraw/zinc/18/84/43/569188443.db2.gz GVEICCSPGYMWGR-ZJSXRUAMSA-N 1 0 411.505 4.201 20 30 HIEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164627906 719062492 /nfs/dbraw/zinc/06/24/92/719062492.db2.gz RLKGZHATKIQSCT-LAUBAEHRSA-N 1 0 403.917 4.256 20 30 HIEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164626629 719071100 /nfs/dbraw/zinc/07/11/00/719071100.db2.gz OVIVXCRGUNDGSM-VQIMIIECSA-N 1 0 402.876 4.252 20 30 HIEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc(C3(C#N)CCC3)cn1)CC2 ZINC001164841123 720690689 /nfs/dbraw/zinc/69/06/89/720690689.db2.gz HTDNQQXICPJQIJ-QHCPKHFHSA-N 1 0 416.569 4.287 20 30 HIEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc3ccccc3c(Cl)c1C#N)[C@@H]2C ZINC001164860422 721000323 /nfs/dbraw/zinc/00/03/23/721000323.db2.gz OAMZYIFQCAEECS-OAHLLOKOSA-N 1 0 408.937 4.378 20 30 HIEDRO N#Cc1ccc(-c2cccs2)nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903122 721554872 /nfs/dbraw/zinc/55/48/72/721554872.db2.gz ARZMSLQVLCPVMZ-AZUAARDMSA-N 1 0 420.513 4.163 20 30 HIEDRO N#Cc1cnc(N2CC[NH+](C[C@@H]3CCCO3)CC2)c2cc(-c3ccccc3)sc21 ZINC001165036918 721910853 /nfs/dbraw/zinc/91/08/53/721910853.db2.gz DTVMAHIYRQUBSW-IBGZPJMESA-N 1 0 404.539 4.136 20 30 HIEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000436235071 861542601 /nfs/dbraw/zinc/54/26/01/861542601.db2.gz TYGHODZTPZNMCM-UHFFFAOYSA-N 1 0 404.489 4.422 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1ccc([N+](=O)[O-])cc1)C(=S)Nc1ccccc1 ZINC000010170291 845625678 /nfs/dbraw/zinc/62/56/78/845625678.db2.gz LXHBONUJTLIGCC-UHFFFAOYSA-O 1 0 406.487 4.496 20 30 HIEDRO Cc1cccc(NC(=S)C(C(=O)c2ccc(F)cc2F)[n+]2cccc(CO)c2)c1 ZINC000010167333 845625848 /nfs/dbraw/zinc/62/58/48/845625848.db2.gz VJHFKMCMDNKDFU-UHFFFAOYSA-O 1 0 413.469 4.104 20 30 HIEDRO Cc1ccc(NC(=S)C(C(=O)c2ccc(F)cc2F)[n+]2cccc(CO)c2)cc1 ZINC000010173219 845626967 /nfs/dbraw/zinc/62/69/67/845626967.db2.gz AAQIUMKTLJUGLP-UHFFFAOYSA-O 1 0 413.469 4.104 20 30 HIEDRO Cc1ccccc1NC(=S)C(C(=O)c1ccc2c(c1)CCC2)[n+]1cccc(CO)c1 ZINC000011168436 845762484 /nfs/dbraw/zinc/76/24/84/845762484.db2.gz JGKPVQAHGGLSBA-UHFFFAOYSA-O 1 0 417.554 4.314 20 30 HIEDRO C=CCSc1nc2ccccc2n1C[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000016876353 846218053 /nfs/dbraw/zinc/21/80/53/846218053.db2.gz HLIGUJWPMAHZOY-UHFFFAOYSA-N 1 0 420.582 4.300 20 30 HIEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)cc2)CC1 ZINC000436342687 861653439 /nfs/dbraw/zinc/65/34/39/861653439.db2.gz VCXJMVUYVUOBPE-RPBOFIJWSA-N 1 0 416.569 4.129 20 30 HIEDRO CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000021406131 846439241 /nfs/dbraw/zinc/43/92/41/846439241.db2.gz QMSZXSXTWCMYEL-HXUWFJFHSA-N 1 0 404.558 4.217 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000436362666 861694205 /nfs/dbraw/zinc/69/42/05/861694205.db2.gz IREIGHDTNNRSEY-PKTZIBPZSA-N 1 0 405.567 4.147 20 30 HIEDRO CCCc1cc[n+](C(C(=O)c2ccc3c(c2)CCC3)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000022691952 846604864 /nfs/dbraw/zinc/60/48/64/846604864.db2.gz RLRNZKIHELXKBY-QFIPXVFZSA-O 1 0 423.602 4.123 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)NCc2ccccc2)cc1 ZINC000022730648 846610680 /nfs/dbraw/zinc/61/06/80/846610680.db2.gz XVTGVQKPBVJUDC-UHFFFAOYSA-O 1 0 420.514 4.173 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2cccc(C)c2)c(C)n1C ZINC000022735569 846612556 /nfs/dbraw/zinc/61/25/56/846612556.db2.gz FMRUQQCFLATQMD-UHFFFAOYSA-O 1 0 406.575 4.009 20 30 HIEDRO COCCNC(=S)C(C(=O)c1ccc(Cl)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000022791680 846620509 /nfs/dbraw/zinc/62/05/09/846620509.db2.gz MSBINGDTSWFIFX-UHFFFAOYSA-O 1 0 405.971 4.100 20 30 HIEDRO CCCNC(=S)C(C(=O)c1cc(C)n(C)c1C)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022804987 846623705 /nfs/dbraw/zinc/62/37/05/846623705.db2.gz MZXSIZRAWQABNM-UHFFFAOYSA-O 1 0 420.602 4.459 20 30 HIEDRO C=CCOc1ccc(/C=C/C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1OC ZINC000022884961 846633250 /nfs/dbraw/zinc/63/32/50/846633250.db2.gz GDCVOOHOZFNIKO-ZAHGZRRWSA-N 1 0 410.514 4.210 20 30 HIEDRO CCCCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccccc1CC ZINC000027325675 847283518 /nfs/dbraw/zinc/28/35/18/847283518.db2.gz AOGJINVJADZRFJ-UHFFFAOYSA-O 1 0 400.568 4.013 20 30 HIEDRO CCOc1ccc([C@H]([NH2+]CC(=O)Nc2sccc2C#N)C(C)C)cc1OCC ZINC000027379993 847293163 /nfs/dbraw/zinc/29/31/63/847293163.db2.gz SQLCKMSLMCDNJT-HXUWFJFHSA-N 1 0 401.532 4.343 20 30 HIEDRO N#Cc1ccccc1-c1ccc(C[NH+]2CCC(C(=O)NCC(F)(F)F)CC2)cc1 ZINC000027781781 847351201 /nfs/dbraw/zinc/35/12/01/847351201.db2.gz HUSABPXBDNZICN-UHFFFAOYSA-N 1 0 401.432 4.116 20 30 HIEDRO N#Cc1ccc(CN2CC[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000028879290 847471508 /nfs/dbraw/zinc/47/15/08/847471508.db2.gz DRBNTVGCGBBJNW-UHFFFAOYSA-N 1 0 417.340 4.011 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1Br ZINC000030509584 847724993 /nfs/dbraw/zinc/72/49/93/847724993.db2.gz PVIVCAGEJXBTKW-CHWSQXEVSA-N 1 0 402.292 4.007 20 30 HIEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000030537518 847731579 /nfs/dbraw/zinc/73/15/79/847731579.db2.gz IJYXAYMJZMIDIN-CRAIPNDOSA-N 1 0 420.347 4.277 20 30 HIEDRO C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000030537525 847731788 /nfs/dbraw/zinc/73/17/88/847731788.db2.gz IJYXAYMJZMIDIN-QAPCUYQASA-N 1 0 420.347 4.277 20 30 HIEDRO CCOc1ccc([C@H]([NH2+]C[C@H](O)COc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000030537115 847731804 /nfs/dbraw/zinc/73/18/04/847731804.db2.gz GYIHVPJFGGOEFW-WIOPSUGQSA-N 1 0 402.494 4.076 20 30 HIEDRO N#Cc1ccccc1COc1ccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000032476969 848035988 /nfs/dbraw/zinc/03/59/88/848035988.db2.gz HACGFTZSPQXTKW-HSZRJFAPSA-N 1 0 415.493 4.297 20 30 HIEDRO COc1c(Br)cc(C[NH2+]Cc2cccc(C#N)c2)cc1Br ZINC000037748891 848175136 /nfs/dbraw/zinc/17/51/36/848175136.db2.gz LHFHCNHMFAGKPM-UHFFFAOYSA-N 1 0 410.109 4.382 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000044566517 848571343 /nfs/dbraw/zinc/57/13/43/848571343.db2.gz QVQWIDROEQDMHM-UHFFFAOYSA-N 1 0 416.525 4.126 20 30 HIEDRO COc1ccc([C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C(C)C)cc1 ZINC000045149162 848639016 /nfs/dbraw/zinc/63/90/16/848639016.db2.gz BJKQFIXCYMVEOU-QHCPKHFHSA-N 1 0 408.546 4.037 20 30 HIEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000046934124 848962429 /nfs/dbraw/zinc/96/24/29/848962429.db2.gz LMCCMZFEQCMEPN-GOSISDBHSA-N 1 0 407.562 4.217 20 30 HIEDRO N#Cc1ccccc1OCc1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)o1 ZINC000048185524 849187301 /nfs/dbraw/zinc/18/73/01/849187301.db2.gz ZGLBTDAAVHSJMO-QFIPXVFZSA-N 1 0 415.493 4.297 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCCOc3ccccc3Cl)CC2)cc1 ZINC000050555912 849394628 /nfs/dbraw/zinc/39/46/28/849394628.db2.gz DVPALWMXJFSOMV-UHFFFAOYSA-N 1 0 411.933 4.105 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCOc1cccc(Cl)c1 ZINC000052485670 849586708 /nfs/dbraw/zinc/58/67/08/849586708.db2.gz OZRDLVWRSPLIQN-UHFFFAOYSA-N 1 0 406.983 4.317 20 30 HIEDRO N#Cc1ccccc1N1CCC[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000052801291 849628632 /nfs/dbraw/zinc/62/86/32/849628632.db2.gz CJGDZKXKDMTXBO-UHFFFAOYSA-N 1 0 417.340 4.406 20 30 HIEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000053721215 849749499 /nfs/dbraw/zinc/74/94/99/849749499.db2.gz VDKLRAWEJOSEOZ-SFHVURJKSA-N 1 0 407.562 4.359 20 30 HIEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000058559587 850855679 /nfs/dbraw/zinc/85/56/79/850855679.db2.gz TVURGOQCSCNBOW-OAHLLOKOSA-N 1 0 412.456 4.133 20 30 HIEDRO CC[N@H+](CC(=O)NCc1cccc(OCC(F)(F)F)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000060469420 851109766 /nfs/dbraw/zinc/10/97/66/851109766.db2.gz PMXGSRLBHZAYRZ-MRXNPFEDSA-N 1 0 419.447 4.199 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCSc1ccccc1Cl ZINC000060575875 851153590 /nfs/dbraw/zinc/15/35/90/851153590.db2.gz PAWHXEJRPKCJSR-UHFFFAOYSA-N 1 0 401.963 4.284 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]C[C@H](c2ccc(C)cc2)N2CCOCC2)ccc1OC ZINC000060948621 851255043 /nfs/dbraw/zinc/25/50/43/851255043.db2.gz XEJNCBGNTNEICN-HSZRJFAPSA-N 1 0 410.558 4.122 20 30 HIEDRO C=CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cccc([N+](=O)[O-])c1 ZINC000063297816 851654538 /nfs/dbraw/zinc/65/45/38/851654538.db2.gz HUIFWJYUUGSCDD-UHFFFAOYSA-N 1 0 424.526 4.424 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063404148 851679978 /nfs/dbraw/zinc/67/99/78/851679978.db2.gz FWXBKJFUEROPNZ-XMMPIXPASA-N 1 0 402.542 4.168 20 30 HIEDRO CCCCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1ccc(C)cc1 ZINC000063440659 851690007 /nfs/dbraw/zinc/69/00/07/851690007.db2.gz HMWRUTMIYKVRKJ-UHFFFAOYSA-O 1 0 400.568 4.013 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)CSc1nc(C)c(C)c(C)c1C#N)c1ccsc1 ZINC000064879086 852012495 /nfs/dbraw/zinc/01/24/95/852012495.db2.gz YQYRPVUCLQZVHB-IBGZPJMESA-N 1 0 416.616 4.231 20 30 HIEDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H](C)Oc3ccccc3C#N)ccc21 ZINC000065316646 852104832 /nfs/dbraw/zinc/10/48/32/852104832.db2.gz SRFNBXYUTBKTNP-GOSISDBHSA-N 1 0 404.514 4.261 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065416525 852124874 /nfs/dbraw/zinc/12/48/74/852124874.db2.gz SYSDTJWAFFKTKI-OAQYLSRUSA-N 1 0 406.530 4.379 20 30 HIEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Nc3cc(C#N)ccc3OC(C)C)CC2)cc1 ZINC000065473164 852147223 /nfs/dbraw/zinc/14/72/23/852147223.db2.gz QHKYQFWMAZEDOP-UHFFFAOYSA-N 1 0 422.529 4.094 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(COCC4CC4)c3)CC2)cc1 ZINC000065473614 852148538 /nfs/dbraw/zinc/14/85/38/852148538.db2.gz ARVTZHOSLDLBCQ-UHFFFAOYSA-N 1 0 418.541 4.225 20 30 HIEDRO Cc1cc(C)c(C(=O)CCCC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(C)c1 ZINC000065785207 852255483 /nfs/dbraw/zinc/25/54/83/852255483.db2.gz HHXOQZJATYCCDB-UHFFFAOYSA-N 1 0 419.569 4.427 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccccc2Cl)on1 ZINC000065930573 852320762 /nfs/dbraw/zinc/32/07/62/852320762.db2.gz PGYILOUVMCMJMB-UHFFFAOYSA-N 1 0 408.889 4.071 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000065930589 852320828 /nfs/dbraw/zinc/32/08/28/852320828.db2.gz KYGGSVZAANKELX-UHFFFAOYSA-N 1 0 420.340 4.224 20 30 HIEDRO C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccccc3Sc3ccccc3C#N)CC2)CCO1 ZINC000072013595 852465560 /nfs/dbraw/zinc/46/55/60/852465560.db2.gz ROEDPHQEQHURMQ-SFHVURJKSA-N 1 0 421.566 4.035 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000097327571 852602702 /nfs/dbraw/zinc/60/27/02/852602702.db2.gz PLCUGIVAXJWORQ-SFTDATJTSA-N 1 0 415.459 4.271 20 30 HIEDRO COc1cc(C#N)ccc1OCCCC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000107580008 852777934 /nfs/dbraw/zinc/77/79/34/852777934.db2.gz LCMWHANYLKFCTF-UHFFFAOYSA-N 1 0 421.541 4.028 20 30 HIEDRO Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 ZINC000108591479 852862467 /nfs/dbraw/zinc/86/24/67/852862467.db2.gz MQENBMTUFYKLDO-XMMPIXPASA-N 1 0 405.542 4.005 20 30 HIEDRO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H](C)C(=O)Nc1ccccc1 ZINC000110989253 853180988 /nfs/dbraw/zinc/18/09/88/853180988.db2.gz OPANPXWABKXKOV-INIZCTEOSA-N 1 0 424.570 4.176 20 30 HIEDRO CC(C)OCCCNC(=O)C1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000110992628 853182310 /nfs/dbraw/zinc/18/23/10/853182310.db2.gz KBSPGXVXNXMSJX-UHFFFAOYSA-N 1 0 419.569 4.369 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(OC(C)(C)C)cc1 ZINC000139874242 853424930 /nfs/dbraw/zinc/42/49/30/853424930.db2.gz NTVBAJJMJKDAEX-UHFFFAOYSA-N 1 0 408.546 4.009 20 30 HIEDRO COc1ccc2[nH]cc(C3CC[NH+]([C@H](C)C(=O)Nc4cccc(C#N)c4)CC3)c2c1 ZINC000142132414 853488361 /nfs/dbraw/zinc/48/83/61/853488361.db2.gz HRIBMLIQJKIRJM-MRXNPFEDSA-N 1 0 402.498 4.255 20 30 HIEDRO COc1ccc2[nH]cc(C3CC[NH+](CC(=O)N(C)C4(C#N)CCCCC4)CC3)c2c1 ZINC000142126303 853488397 /nfs/dbraw/zinc/48/83/97/853488397.db2.gz MBEKKPUQRKKGBG-UHFFFAOYSA-N 1 0 408.546 4.041 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)NCc2ccccc2)cc1 ZINC000185575123 853667867 /nfs/dbraw/zinc/66/78/67/853667867.db2.gz WDAAYDDPUKBHNC-UHFFFAOYSA-O 1 0 400.527 4.137 20 30 HIEDRO C=CCOc1ccc(C[NH2+]Cc2cccc(NC(=O)NCc3ccncc3)c2)cc1 ZINC000236683667 853911145 /nfs/dbraw/zinc/91/11/45/853911145.db2.gz DTXQOCNZFRVMFX-UHFFFAOYSA-N 1 0 402.498 4.258 20 30 HIEDRO C=C(C)CN1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000236692112 853912374 /nfs/dbraw/zinc/91/23/74/853912374.db2.gz QFHXOCAWMIPSPA-UHFFFAOYSA-N 1 0 401.558 4.124 20 30 HIEDRO CCc1ccc([C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)N(C)C)cc1 ZINC000236963591 853943571 /nfs/dbraw/zinc/94/35/71/853943571.db2.gz QTDASRVSSHQKGT-XMMPIXPASA-N 1 0 401.558 4.419 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@](C)(CO)c2ccccc2)cc1OCC ZINC000237008304 853950053 /nfs/dbraw/zinc/95/00/53/853950053.db2.gz VCCSTZABMZRAEZ-NRFANRHFSA-N 1 0 420.347 4.410 20 30 HIEDRO CC[C@@H](C#N)Oc1cc(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)ccc1OC ZINC000237020761 853952477 /nfs/dbraw/zinc/95/24/77/853952477.db2.gz QTFYBWZUYQVLGO-NRFANRHFSA-N 1 0 404.514 4.469 20 30 HIEDRO CN(C)C(=O)c1cccc(CC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000237075003 853960983 /nfs/dbraw/zinc/96/09/83/853960983.db2.gz SDZZVXOKBHLFMB-UHFFFAOYSA-N 1 0 413.521 4.171 20 30 HIEDRO COc1ccc(Br)cc1C[NH2+]Cc1ccc(OC)c(OCCCC#N)c1 ZINC000237137898 853970488 /nfs/dbraw/zinc/97/04/88/853970488.db2.gz OJFPEQSYENRKBR-UHFFFAOYSA-N 1 0 419.319 4.439 20 30 HIEDRO C=CCc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC ZINC000237226672 853986735 /nfs/dbraw/zinc/98/67/35/853986735.db2.gz HUGJSANNYQEEJD-UHFFFAOYSA-N 1 0 422.485 4.031 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)ccc1OC ZINC000237349896 854010627 /nfs/dbraw/zinc/01/06/27/854010627.db2.gz PGXSGOWFBLRRST-UHFFFAOYSA-N 1 0 415.578 4.246 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCN(c3cc(OC)cc(OC)c3)C2)ccc1OC ZINC000237354323 854012878 /nfs/dbraw/zinc/01/28/78/854012878.db2.gz TVPQWUDHYHZNQN-IBGZPJMESA-N 1 0 412.530 4.036 20 30 HIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC000237498771 854045227 /nfs/dbraw/zinc/04/52/27/854045227.db2.gz LDDCCUFXQHUHQZ-ROUUACIJSA-N 1 0 400.482 4.476 20 30 HIEDRO C[C@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000237599176 854060648 /nfs/dbraw/zinc/06/06/48/854060648.db2.gz NDCHCNHCGKNRGG-MRXNPFEDSA-N 1 0 419.447 4.123 20 30 HIEDRO N#CCCn1cc(C[NH2+][C@H]2CCCN(c3cccc(F)c3)C2)c(-c2ccccc2)n1 ZINC000237760552 854091130 /nfs/dbraw/zinc/09/11/30/854091130.db2.gz QVRHXVOEFOOEAL-QFIPXVFZSA-N 1 0 403.505 4.361 20 30 HIEDRO C=CCOc1ccccc1C[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000237772606 854093479 /nfs/dbraw/zinc/09/34/79/854093479.db2.gz QBFKBGVGBZYWKE-UHFFFAOYSA-N 1 0 405.498 4.103 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCc3cc(F)cc4c3OCOC4)c2)c1 ZINC000237804122 854099735 /nfs/dbraw/zinc/09/97/35/854099735.db2.gz NRSZIUCDEWIHRL-UHFFFAOYSA-N 1 0 418.468 4.475 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCN(c4ccccc4F)C3=O)c2)c1 ZINC000237855201 854108631 /nfs/dbraw/zinc/10/86/31/854108631.db2.gz IHGLKZLGYFCKAO-QHCPKHFHSA-N 1 0 415.468 4.171 20 30 HIEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000249904747 854192739 /nfs/dbraw/zinc/19/27/39/854192739.db2.gz HBKOHOXFKHVYOW-VQIMIIECSA-N 1 0 417.962 4.058 20 30 HIEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000253478924 854206597 /nfs/dbraw/zinc/20/65/97/854206597.db2.gz NUTAGJPZSXHPNU-UHFFFAOYSA-N 1 0 410.587 4.129 20 30 HIEDRO O=C(CO[NH+]=Cc1ccc(N2CCOCC2)cc1)Nc1ccccc1-c1ccccc1 ZINC000255178011 854216936 /nfs/dbraw/zinc/21/69/36/854216936.db2.gz KMEIFNNVYLFLKW-UHFFFAOYSA-N 1 0 415.493 4.179 20 30 HIEDRO C=CC[NH+]1CCC(Nc2ccc3nnc(-c4cc(Cl)cc(Cl)c4)n3n2)CC1 ZINC000301154201 854313677 /nfs/dbraw/zinc/31/36/77/854313677.db2.gz CCJOXKMXNKYUHA-UHFFFAOYSA-N 1 0 403.317 4.160 20 30 HIEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNc3nc(C(F)(F)F)ccc3C#N)cc2)C[C@H](C)O1 ZINC000301252115 854340329 /nfs/dbraw/zinc/34/03/29/854340329.db2.gz CKRPVRRDYSDDOD-GASCZTMLSA-N 1 0 404.436 4.193 20 30 HIEDRO N#Cc1cc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)ccc1[N+](=O)[O-] ZINC000301798644 854467862 /nfs/dbraw/zinc/46/78/62/854467862.db2.gz ROUGELISVLYTDU-UHFFFAOYSA-N 1 0 404.392 4.198 20 30 HIEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000301975651 854508085 /nfs/dbraw/zinc/50/80/85/854508085.db2.gz LPKZOOMGWYIOBG-UHFFFAOYSA-N 1 0 416.485 4.153 20 30 HIEDRO COc1ccc([C@@H](CNc2ccc(Br)cc2C#N)[NH+](C)C)cc1OC ZINC000302589380 854588162 /nfs/dbraw/zinc/58/81/62/854588162.db2.gz VYIKMRHATZPSGY-QGZVFWFLSA-N 1 0 404.308 4.053 20 30 HIEDRO N#CCCn1cc(C(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCO3)c2ccccc21 ZINC000302813796 854643453 /nfs/dbraw/zinc/64/34/53/854643453.db2.gz PMGOODDFSPBHBB-NRFANRHFSA-N 1 0 415.493 4.346 20 30 HIEDRO C=CCOc1ccc(/C=C/C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1OC ZINC000302902627 854673158 /nfs/dbraw/zinc/67/31/58/854673158.db2.gz XFEHQJJESMDZIS-ACCUITESSA-N 1 0 406.526 4.008 20 30 HIEDRO C[N@@H+]1CCCC[C@@H]1CCSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 ZINC000302906507 854673853 /nfs/dbraw/zinc/67/38/53/854673853.db2.gz BDZURMMPQIDBBU-GOSISDBHSA-N 1 0 404.539 4.224 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)CC1 ZINC000303281331 854850128 /nfs/dbraw/zinc/85/01/28/854850128.db2.gz MFNKFWCILACMED-UHFFFAOYSA-N 1 0 401.457 4.412 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)CC1 ZINC000303293565 854856432 /nfs/dbraw/zinc/85/64/32/854856432.db2.gz OOKPEAPABWCNQE-UHFFFAOYSA-N 1 0 400.526 4.310 20 30 HIEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000303306310 854863064 /nfs/dbraw/zinc/86/30/64/854863064.db2.gz NVNAEJKKYHXCRM-QGZVFWFLSA-N 1 0 411.933 4.007 20 30 HIEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000303415051 854916770 /nfs/dbraw/zinc/91/67/70/854916770.db2.gz VXXPBNAICWCLCH-UHFFFAOYSA-N 1 0 417.513 4.097 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@@H+](Cc2ccccc2)CC2CCOCC2)cc1Cl ZINC000303485461 854977166 /nfs/dbraw/zinc/97/71/66/854977166.db2.gz QWQWPTBBIAFQDN-UHFFFAOYSA-N 1 0 411.933 4.469 20 30 HIEDRO C=CCc1cc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc(OC)c1OC ZINC000303534426 855020783 /nfs/dbraw/zinc/02/07/83/855020783.db2.gz XGSXRKKEPBJXGQ-NOTZXAQLSA-N 1 0 420.553 4.358 20 30 HIEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@H](C)C1 ZINC000303593131 855066549 /nfs/dbraw/zinc/06/65/49/855066549.db2.gz IGNCPHUZUTUQHE-DVECYGJZSA-N 1 0 421.541 4.217 20 30 HIEDRO C[NH+](C)CCOc1ccc(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)cc1 ZINC000303612157 855077627 /nfs/dbraw/zinc/07/76/27/855077627.db2.gz LOPXVDJPRBPUAH-UHFFFAOYSA-N 1 0 415.493 4.330 20 30 HIEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303625262 855084992 /nfs/dbraw/zinc/08/49/92/855084992.db2.gz NTOWQVCKNCZNHY-LEWJYISDSA-N 1 0 414.569 4.049 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1C ZINC000303667001 855118678 /nfs/dbraw/zinc/11/86/78/855118678.db2.gz WMSOWCSQNUMVKJ-FYYLOGMGSA-N 1 0 410.606 4.137 20 30 HIEDRO C[C@H]1C[C@H](N(C)C(=O)CSCc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000303738164 855162969 /nfs/dbraw/zinc/16/29/69/855162969.db2.gz HJFBNTITYCSOSB-WMZHIEFXSA-N 1 0 407.583 4.303 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000303744828 855167269 /nfs/dbraw/zinc/16/72/69/855167269.db2.gz ZIULOHJSZPOXFW-GPJFCIFZSA-N 1 0 414.619 4.073 20 30 HIEDRO C[C@H]1C[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000303745548 855168149 /nfs/dbraw/zinc/16/81/49/855168149.db2.gz JVOSOXWYVIGLLQ-LAUBAEHRSA-N 1 0 410.949 4.135 20 30 HIEDRO COc1cc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)cc(OC)c1OC ZINC000303773891 855189720 /nfs/dbraw/zinc/18/97/20/855189720.db2.gz FOKIVPNHFGGXGW-NSHDSACASA-N 1 0 412.317 4.185 20 30 HIEDRO CCN(CC)[C@@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)c1ccccc1Cl ZINC000303791393 855200365 /nfs/dbraw/zinc/20/03/65/855200365.db2.gz XMWQFYKDAYWSEU-SFHVURJKSA-N 1 0 404.942 4.167 20 30 HIEDRO C#CCOc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCCC3)cc2)cc1 ZINC000303804223 855208236 /nfs/dbraw/zinc/20/82/36/855208236.db2.gz AQMBNYZXFWHIGP-UHFFFAOYSA-N 1 0 419.525 4.156 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCC2(c3cccc(Br)c3)CCC2)cc1OC ZINC000303863242 855257874 /nfs/dbraw/zinc/25/78/74/855257874.db2.gz ACRHKJFKOFQSCN-UHFFFAOYSA-N 1 0 418.335 4.315 20 30 HIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NCc2ccccc2S(=O)(=O)NC(C)(C)C)cc1 ZINC000303876686 855265655 /nfs/dbraw/zinc/26/56/55/855265655.db2.gz IDQXERYSXPBQSZ-MRXNPFEDSA-N 1 0 416.591 4.204 20 30 HIEDRO COc1ccc(CNC(=[NH2+])NCc2cccc(COCc3ccccc3)c2)cc1OC ZINC000303880975 855267496 /nfs/dbraw/zinc/26/74/96/855267496.db2.gz HGZOOXHDLMXGPK-UHFFFAOYSA-N 1 0 419.525 4.025 20 30 HIEDRO C[C@@H](NC(=[NH2+])NCc1ccccc1CN1CCCC1=O)c1ccc(Cl)cc1Cl ZINC000303892648 855273952 /nfs/dbraw/zinc/27/39/52/855273952.db2.gz NUOVJHKWAVILFK-CQSZACIVSA-N 1 0 419.356 4.281 20 30 HIEDRO COc1cccc(NC(=[NH2+])NCc2ccc(-n3nc(C)cc3C)cc2C(F)(F)F)c1 ZINC000303893739 855274784 /nfs/dbraw/zinc/27/47/84/855274784.db2.gz SDFKVDFSVLOGKZ-UHFFFAOYSA-N 1 0 417.435 4.443 20 30 HIEDRO CCc1cccc(NC(=[NH2+])NCc2ccc(Oc3c(OC)cccc3OC)nc2)c1 ZINC000303894879 855274897 /nfs/dbraw/zinc/27/48/97/855274897.db2.gz PDSXEPYVQIZYMY-UHFFFAOYSA-N 1 0 406.486 4.380 20 30 HIEDRO Cc1ccc(CNC(Nc2ccccc2)=[NH+]C[C@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000303896759 855275771 /nfs/dbraw/zinc/27/57/71/855275771.db2.gz QEHYQPQQZBDVFK-LJQANCHMSA-N 1 0 404.480 4.246 20 30 HIEDRO Cc1cccc(NC2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000303903207 855278617 /nfs/dbraw/zinc/27/86/17/855278617.db2.gz QSIUYYNMNIITAU-UHFFFAOYSA-N 1 0 408.571 4.322 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2cccc(OCC(F)(F)F)c2)c1 ZINC000303906011 855280330 /nfs/dbraw/zinc/28/03/30/855280330.db2.gz VTNTUAWWUMMSEM-UHFFFAOYSA-N 1 0 411.424 4.352 20 30 HIEDRO CCc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1 ZINC000303972779 855330536 /nfs/dbraw/zinc/33/05/36/855330536.db2.gz GFVGBHFMELPLJY-FQEVSTJZSA-N 1 0 420.479 4.068 20 30 HIEDRO [NH2+]=C(NCc1ccccc1COCc1ccccc1)N[C@@H]1CCOc2ccccc21 ZINC000304468267 855355923 /nfs/dbraw/zinc/35/59/23/855355923.db2.gz CMGJKDNNHUVYTF-HSZRJFAPSA-N 1 0 401.510 4.332 20 30 HIEDRO COc1ccc(CCNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)c(OC)c1OC ZINC000304522195 855356418 /nfs/dbraw/zinc/35/64/18/855356418.db2.gz XVNRPNVNOYPWJP-UHFFFAOYSA-N 1 0 421.497 4.474 20 30 HIEDRO [NH2+]=C(NCc1csc(-c2ccccc2)n1)NCc1ccc(OC(F)(F)F)cc1 ZINC000304499678 855356642 /nfs/dbraw/zinc/35/66/42/855356642.db2.gz RDNNWVKFJMKBHV-UHFFFAOYSA-N 1 0 406.433 4.313 20 30 HIEDRO COc1cc(CNC(=[NH2+])Nc2cccc3c2CCCC3)ccc1OCC(F)(F)F ZINC000304666362 855357602 /nfs/dbraw/zinc/35/76/02/855357602.db2.gz KXEMCICBWXRIPT-UHFFFAOYSA-N 1 0 407.436 4.442 20 30 HIEDRO C[C@H](NC(=[NH2+])NCCc1csc(N2CCCC2)n1)c1ccc(Cl)cc1Cl ZINC000304746077 855357613 /nfs/dbraw/zinc/35/76/13/855357613.db2.gz FNQIAHIIQNCUFK-LBPRGKRZSA-N 1 0 412.390 4.258 20 30 HIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NC[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1 ZINC000304994785 855359128 /nfs/dbraw/zinc/35/91/28/855359128.db2.gz FIVMBKOFQMFPFS-ZWKOTPCHSA-N 1 0 410.562 4.470 20 30 HIEDRO COc1ccc(C2(CNC(=[NH2+])Nc3ccccc3OC(F)(F)F)CCOCC2)cc1 ZINC000305192261 855359735 /nfs/dbraw/zinc/35/97/35/855359735.db2.gz DDNUTLSOVIGAKA-UHFFFAOYSA-N 1 0 423.435 4.069 20 30 HIEDRO [NH2+]=C(NCCOc1ncc(Cl)cc1Cl)Nc1ccccc1OC(F)(F)F ZINC000305221803 855360122 /nfs/dbraw/zinc/36/01/22/855360122.db2.gz JPODKULREPUJFW-UHFFFAOYSA-N 1 0 409.195 4.093 20 30 HIEDRO COC(=O)c1ccc(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)nc1C1CC1 ZINC000305881963 855362097 /nfs/dbraw/zinc/36/20/97/855362097.db2.gz VNVBRTMCBNCLOA-UHFFFAOYSA-N 1 0 416.481 4.465 20 30 HIEDRO CC[NH+](CC)CCOc1ccccc1CNC(=O)Nc1ccc(C#N)cc1Cl ZINC000426132127 856128648 /nfs/dbraw/zinc/12/86/48/856128648.db2.gz VZFYOBQDFZUWBT-UHFFFAOYSA-N 1 0 400.910 4.254 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)Nc1ccc(C#N)cc1Cl)c1cccc(OC)c1 ZINC000426135196 856130466 /nfs/dbraw/zinc/13/04/66/856130466.db2.gz ZVEXIINFSWFJRY-HXUWFJFHSA-N 1 0 400.910 4.425 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCCc4ncc(C(F)(F)F)cc43)C2=O)cc1 ZINC000427884308 856993704 /nfs/dbraw/zinc/99/37/04/856993704.db2.gz HUCWJIBSWFCDHQ-WOJBJXKFSA-N 1 0 414.431 4.135 20 30 HIEDRO CC1(C)CCCc2cc(C#N)c(NCc3ccccc3C[NH+]3CCC(O)CC3)nc21 ZINC000428144507 857086946 /nfs/dbraw/zinc/08/69/46/857086946.db2.gz HYJBWAYOPVVCKN-UHFFFAOYSA-N 1 0 404.558 4.136 20 30 HIEDRO CCOC(=O)[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(C)c1C ZINC000428373007 857181833 /nfs/dbraw/zinc/18/18/33/857181833.db2.gz JXQOGZFWEKLJKE-DEOSSOPVSA-N 1 0 405.542 4.034 20 30 HIEDRO N#Cc1ccc(Nc2cccc(C(=O)Nc3cccc(C[N@H+]4CC[C@H](O)C4)c3)c2)cc1 ZINC000428552731 857262538 /nfs/dbraw/zinc/26/25/38/857262538.db2.gz VOVJYVRJXIUGRK-DEOSSOPVSA-N 1 0 412.493 4.121 20 30 HIEDRO N#CCCn1ncc(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)c1-c1ccccc1 ZINC000428731538 857312764 /nfs/dbraw/zinc/31/27/64/857312764.db2.gz YLJXHAQSAWVYPL-QFIPXVFZSA-N 1 0 419.573 4.238 20 30 HIEDRO COc1cc(C[N@@H+]2CCOC[C@@H](C3CCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000429004143 857452573 /nfs/dbraw/zinc/45/25/73/857452573.db2.gz IVYAQLJJOZUKLS-QHCPKHFHSA-N 1 0 406.526 4.394 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000429122306 857519950 /nfs/dbraw/zinc/51/99/50/857519950.db2.gz KIGWZNVTWPUDDS-WIEQDCTASA-N 1 0 415.584 4.230 20 30 HIEDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccccc2SC[C@H](C)C#N)[C@H](C)[C@@H]1OC ZINC000429285663 857589929 /nfs/dbraw/zinc/58/99/29/857589929.db2.gz OTPIXLQETLGHRK-XTCWOQMQSA-N 1 0 403.592 4.306 20 30 HIEDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000429475144 857687952 /nfs/dbraw/zinc/68/79/52/857687952.db2.gz YKAPVCMLGTVMNP-QFIPXVFZSA-N 1 0 406.530 4.280 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCc3cccc(C)c3C2)c1C#N ZINC000429581006 857766358 /nfs/dbraw/zinc/76/63/58/857766358.db2.gz RUQRULNEXLEQIA-UHFFFAOYSA-N 1 0 416.525 4.313 20 30 HIEDRO N#CCCn1ncc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c1-c1ccccc1 ZINC000429591049 857773969 /nfs/dbraw/zinc/77/39/69/857773969.db2.gz IVJSGLMRWWJOEK-UHFFFAOYSA-N 1 0 419.573 4.192 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000429771137 857879756 /nfs/dbraw/zinc/87/97/56/857879756.db2.gz XZHBNXFPEVKCDM-IBGZPJMESA-N 1 0 408.502 4.307 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429780534 857882761 /nfs/dbraw/zinc/88/27/61/857882761.db2.gz ATRBQYGTXFYIJP-SFTDATJTSA-N 1 0 419.573 4.190 20 30 HIEDRO N#CCSc1cccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)c1 ZINC000430044459 858009180 /nfs/dbraw/zinc/00/91/80/858009180.db2.gz VQDWDKDBUAROOT-UHFFFAOYSA-N 1 0 422.554 4.369 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1C#N ZINC000430742168 858283907 /nfs/dbraw/zinc/28/39/07/858283907.db2.gz OCJLQANLMLOZPB-APWZRJJASA-N 1 0 420.582 4.335 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2CC(=O)c2cccs2)sc2c1CCC2 ZINC000430996167 858398093 /nfs/dbraw/zinc/39/80/93/858398093.db2.gz MCGZAFPWGGFPOY-CQSZACIVSA-N 1 0 413.568 4.236 20 30 HIEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)c1cccc(SCC#N)c1)c1ccccc1O2 ZINC000431168601 858484149 /nfs/dbraw/zinc/48/41/49/858484149.db2.gz POBNXYALOUKNHC-HXUWFJFHSA-N 1 0 407.539 4.020 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431700316 858749643 /nfs/dbraw/zinc/74/96/43/858749643.db2.gz VBNPCNWFSNHNMZ-DENIHFKCSA-N 1 0 422.529 4.346 20 30 HIEDRO C=CCC(CC=C)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000467535026 881355599 /nfs/dbraw/zinc/35/55/99/881355599.db2.gz FUEBKNZVCMHJLS-UHFFFAOYSA-N 1 0 421.379 4.177 20 30 HIEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCCC(=O)Nc2ccccc2C#N)CC1 ZINC000432328021 859104884 /nfs/dbraw/zinc/10/48/84/859104884.db2.gz JEOQSJRHZGSOAX-LJQANCHMSA-N 1 0 418.541 4.009 20 30 HIEDRO C[C@@H](Sc1ccnc2cc(Cl)ccc21)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000467599470 881408778 /nfs/dbraw/zinc/40/87/78/881408778.db2.gz FNQZTRJPZNKRRI-OAHLLOKOSA-N 1 0 404.967 4.063 20 30 HIEDRO Cc1c(F)c(C(F)(F)F)ccc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000467605532 881411630 /nfs/dbraw/zinc/41/16/30/881411630.db2.gz KYDSPHCWLAEFFR-UHFFFAOYSA-N 1 0 407.411 4.229 20 30 HIEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)C2)C1 ZINC000432855003 859389852 /nfs/dbraw/zinc/38/98/52/859389852.db2.gz UDBKUVSDOIPFDQ-HSZRJFAPSA-N 1 0 424.932 4.350 20 30 HIEDRO N#CCCC[C@@H]([NH2+]CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000433011034 859476386 /nfs/dbraw/zinc/47/63/86/859476386.db2.gz MJWPWSVZJBBZIE-YADHBBJMSA-N 1 0 419.525 4.146 20 30 HIEDRO Cc1nc(-c2ccc(C)cc2NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)n[nH]1 ZINC000433011234 859477580 /nfs/dbraw/zinc/47/75/80/859477580.db2.gz NKOGPVBYZYCRCA-HXUWFJFHSA-N 1 0 402.502 4.052 20 30 HIEDRO N#CCCC[C@@H]([NH2+]CC(=O)NCc1ccc(F)cc1C(F)(F)F)c1ccccc1 ZINC000433013408 859478547 /nfs/dbraw/zinc/47/85/47/859478547.db2.gz NVOWIWHLPSIFES-LJQANCHMSA-N 1 0 407.411 4.485 20 30 HIEDRO Cc1cc(NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)n(-c2ccc(C)cc2)n1 ZINC000433017473 859481019 /nfs/dbraw/zinc/48/10/19/859481019.db2.gz CHTDQRVAYXBSSF-QFIPXVFZSA-N 1 0 401.514 4.452 20 30 HIEDRO N#Cc1ccc(NC(=O)CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1Cl ZINC000433082718 859514239 /nfs/dbraw/zinc/51/42/39/859514239.db2.gz LUJYNQMSFWNOTR-UHFFFAOYSA-N 1 0 422.960 4.138 20 30 HIEDRO N#Cc1c(NC(=O)C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)sc2c1CCCCC2 ZINC000433299945 859624365 /nfs/dbraw/zinc/62/43/65/859624365.db2.gz CMRJBJUXAHYRLU-JOCHJYFZSA-N 1 0 423.582 4.321 20 30 HIEDRO C[C@H]([NH2+]C(C)(C)CNCc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000433328330 859645205 /nfs/dbraw/zinc/64/52/05/859645205.db2.gz RKFFVCONVWLARM-IBGZPJMESA-N 1 0 402.546 4.078 20 30 HIEDRO N#CCCn1cc(CNc2ccc(CC[NH+]3CCCC3)cc2)c(-c2ccncc2)n1 ZINC000433328539 859645413 /nfs/dbraw/zinc/64/54/13/859645413.db2.gz AIWQXOCXVNKAFL-UHFFFAOYSA-N 1 0 400.530 4.109 20 30 HIEDRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C#N)CCc2ccccc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000433361289 859660376 /nfs/dbraw/zinc/66/03/76/859660376.db2.gz CGYDKQVIEORBLJ-WOIUINJBSA-N 1 0 413.924 4.361 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467703809 881499626 /nfs/dbraw/zinc/49/96/26/881499626.db2.gz FZSTWYSYRLTDAP-GOSISDBHSA-N 1 0 416.591 4.047 20 30 HIEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CCC([NH+](C)C)CC3)sc2C1 ZINC000434672820 860453919 /nfs/dbraw/zinc/45/39/19/860453919.db2.gz AQEGCIFHPMQWTA-INIZCTEOSA-N 1 0 416.635 4.125 20 30 HIEDRO FC(F)(F)Oc1ccc(C#CC[NH+]2CCC(c3ncc4n3CCCC4)CC2)cc1 ZINC000434682123 860458169 /nfs/dbraw/zinc/45/81/69/860458169.db2.gz UYHOANKHPHNAPO-UHFFFAOYSA-N 1 0 403.448 4.349 20 30 HIEDRO COc1cc(NC(=O)CC[N@H+](Cc2ccc(C#N)cc2)C(C)C)c(OC)cc1Cl ZINC000434766790 860488037 /nfs/dbraw/zinc/48/80/37/860488037.db2.gz GTZAVTHKQHKEDM-UHFFFAOYSA-N 1 0 415.921 4.468 20 30 HIEDRO Cc1ccc2c(c1)[nH]cc2C1=CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000434836453 860514690 /nfs/dbraw/zinc/51/46/90/860514690.db2.gz NINPYVYKTUNRMT-NRFANRHFSA-N 1 0 402.523 4.304 20 30 HIEDRO C=CCC[C@@H](NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccccc1 ZINC000435096735 860640419 /nfs/dbraw/zinc/64/04/19/860640419.db2.gz XYEDJPNIEUKWMC-XMMPIXPASA-N 1 0 407.558 4.150 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c(-c2ccncc2)n1 ZINC000435130587 860655271 /nfs/dbraw/zinc/65/52/71/860655271.db2.gz SSRBTTOBQVPVTE-UHFFFAOYSA-N 1 0 411.513 4.115 20 30 HIEDRO Cc1cc(NC(=O)c2c(F)cc(C#N)cc2F)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000435293235 860723197 /nfs/dbraw/zinc/72/31/97/860723197.db2.gz WNXQBFFAJBLAOV-GOSISDBHSA-N 1 0 421.451 4.041 20 30 HIEDRO N#CCCCn1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c2ccccc21 ZINC000435352529 860753840 /nfs/dbraw/zinc/75/38/40/860753840.db2.gz FYXXNIVOEUROLA-JOCHJYFZSA-N 1 0 404.514 4.495 20 30 HIEDRO Cc1oc(C#N)cc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000435462278 860807096 /nfs/dbraw/zinc/80/70/96/860807096.db2.gz BRKJNIGIMFCYCE-BEFAXECRSA-N 1 0 405.420 4.291 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000435553278 860870391 /nfs/dbraw/zinc/87/03/91/860870391.db2.gz CTUZBDVVORIDLU-HXUWFJFHSA-N 1 0 406.530 4.331 20 30 HIEDRO N#CCCCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000435614331 860918024 /nfs/dbraw/zinc/91/80/24/860918024.db2.gz FHHWMGPHZRPXGV-NRFANRHFSA-N 1 0 400.526 4.339 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(-c2ccccc2OC(F)(F)F)o1 ZINC000467834882 881669494 /nfs/dbraw/zinc/66/94/94/881669494.db2.gz NMACGMHCOUQBTF-UHFFFAOYSA-N 1 0 409.408 4.153 20 30 HIEDRO Cc1c(F)c(C(F)(F)F)ccc1C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000467837132 881670749 /nfs/dbraw/zinc/67/07/49/881670749.db2.gz XNAOOZDGZRFXOA-UHFFFAOYSA-N 1 0 407.411 4.229 20 30 HIEDRO Cc1ccc(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000438275907 863747384 /nfs/dbraw/zinc/74/73/84/863747384.db2.gz KGGIJZAEYKDSPG-UNMCSNQZSA-N 1 0 406.530 4.239 20 30 HIEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000438445965 863871875 /nfs/dbraw/zinc/87/18/75/863871875.db2.gz DKROZNZHFHAUHC-JWQCQUIFSA-N 1 0 421.585 4.311 20 30 HIEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1cccc(COc2ccccc2C#N)c1 ZINC000438454573 863878504 /nfs/dbraw/zinc/87/85/04/863878504.db2.gz APKSCAMPTYSICF-UHFFFAOYSA-N 1 0 419.550 4.403 20 30 HIEDRO CCOc1cc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc(Cl)c1OC ZINC000438470150 863889324 /nfs/dbraw/zinc/88/93/24/863889324.db2.gz OJAOARHCNDPACQ-UHFFFAOYSA-N 1 0 415.921 4.494 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccccc2OCC(F)(F)F)CC1 ZINC000438470105 863889548 /nfs/dbraw/zinc/88/95/48/863889548.db2.gz HVWBRPMYSZSTCE-UHFFFAOYSA-N 1 0 405.420 4.374 20 30 HIEDRO CCOc1c(Cl)cc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1OC ZINC000438488584 863907089 /nfs/dbraw/zinc/90/70/89/863907089.db2.gz WCZJAPIKLFXADR-UHFFFAOYSA-N 1 0 415.921 4.494 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000438498082 863917451 /nfs/dbraw/zinc/91/74/51/863917451.db2.gz XEXCMTHKKUFCJL-UHFFFAOYSA-N 1 0 407.905 4.477 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1CC(F)(F)F ZINC000438624160 864051745 /nfs/dbraw/zinc/05/17/45/864051745.db2.gz VGJGLCIGSKJTPA-UHFFFAOYSA-N 1 0 404.436 4.259 20 30 HIEDRO C[C@H](CNC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[N@@H+]1CCc2ccccc2C1 ZINC000438639229 864073686 /nfs/dbraw/zinc/07/36/86/864073686.db2.gz AQSLNXXQRAZQSM-CQSZACIVSA-N 1 0 402.420 4.145 20 30 HIEDRO N#Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1C(F)(F)F ZINC000438641860 864077203 /nfs/dbraw/zinc/07/72/03/864077203.db2.gz ODQLEBNKLNIHPK-UHFFFAOYSA-N 1 0 402.420 4.317 20 30 HIEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N[C@H](CCC#N)c3ccccc3)cc2)C[C@H](C)O1 ZINC000438843787 864338660 /nfs/dbraw/zinc/33/86/60/864338660.db2.gz WQUCYCRRFRBNTL-JXALWOEJSA-N 1 0 420.557 4.140 20 30 HIEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000439202464 864626180 /nfs/dbraw/zinc/62/61/80/864626180.db2.gz VKAJXZOKXCDBTF-FQEVSTJZSA-N 1 0 419.573 4.346 20 30 HIEDRO N#CCC[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1ccccc1 ZINC000439384164 864812847 /nfs/dbraw/zinc/81/28/47/864812847.db2.gz YHOVCWSNIOIMDE-JOCHJYFZSA-N 1 0 408.571 4.444 20 30 HIEDRO COc1ccc(NC(=O)C2([NH2+]Cc3ccc(C#N)cc3Cl)CCCC2)cc1OC ZINC000439431137 864829413 /nfs/dbraw/zinc/82/94/13/864829413.db2.gz LXYORVQVSBATGF-UHFFFAOYSA-N 1 0 413.905 4.270 20 30 HIEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](CCC#N)c1ccccc1 ZINC000439487429 864849258 /nfs/dbraw/zinc/84/92/58/864849258.db2.gz RAOHHDGDSQDSNH-OAQYLSRUSA-N 1 0 421.545 4.004 20 30 HIEDRO N#Cc1ccc(NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1C(F)(F)F ZINC000467956037 881819686 /nfs/dbraw/zinc/81/96/86/881819686.db2.gz BDKPBSBQOKXVLA-HDICACEKSA-N 1 0 414.431 4.173 20 30 HIEDRO CCCc1c(NC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439664395 864994444 /nfs/dbraw/zinc/99/44/44/864994444.db2.gz OOZNGQGAPWYEPY-IBGZPJMESA-N 1 0 422.577 4.473 20 30 HIEDRO CCCc1c(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439669980 865000625 /nfs/dbraw/zinc/00/06/25/865000625.db2.gz GDOFYGHWPXWWEU-ROUUACIJSA-N 1 0 408.550 4.081 20 30 HIEDRO CCCc1c(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cnn1-c1cccc(C#N)c1 ZINC000439673796 865007233 /nfs/dbraw/zinc/00/72/33/865007233.db2.gz NYPRHSSHMWVQRH-UHFFFAOYSA-N 1 0 408.550 4.127 20 30 HIEDRO CCCc1c(NC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439684168 865019612 /nfs/dbraw/zinc/01/96/12/865019612.db2.gz KNWACPDMCUNJKO-PKOBYXMFSA-N 1 0 408.550 4.033 20 30 HIEDRO Cc1oc(NC(=O)C[NH2+]C2(c3cccc(Br)c3)CCC2)c(C#N)c1C ZINC000439725054 865058045 /nfs/dbraw/zinc/05/80/45/865058045.db2.gz ARXJITDVBNJCRU-UHFFFAOYSA-N 1 0 402.292 4.138 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc(C#N)cc1F ZINC000468028497 881861851 /nfs/dbraw/zinc/86/18/51/881861851.db2.gz IBRUOSMEOPKQRT-CZUORRHYSA-N 1 0 405.395 4.168 20 30 HIEDRO C[C@H]([NH2+]C1(CNC(=O)N[C@H](CCC#N)c2ccccc2)CCOCC1)c1ccccc1 ZINC000440238398 865476227 /nfs/dbraw/zinc/47/62/27/865476227.db2.gz BXUFZWKVUISFQQ-NZQKXSOJSA-N 1 0 420.557 4.231 20 30 HIEDRO N#Cc1cnc2c(Br)cccc2c1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000440638883 865853221 /nfs/dbraw/zinc/85/32/21/865853221.db2.gz RBBWKDMGCZPSLZ-KUHUBIRLSA-N 1 0 411.347 4.322 20 30 HIEDRO COc1cc(C[NH2+][C@H](C)c2ccc(OCc3ccncc3)c(OC)c2)ccc1C#N ZINC000440798289 865920323 /nfs/dbraw/zinc/92/03/23/865920323.db2.gz HDGAXLUKRIJWJZ-QGZVFWFLSA-N 1 0 403.482 4.400 20 30 HIEDRO N#Cc1ccc(-c2nnc(CN3CC[NH+](Cc4cccc5ccccc54)CC3)o2)cc1 ZINC000441179825 866256419 /nfs/dbraw/zinc/25/64/19/866256419.db2.gz QBRHEZICNYRIIB-UHFFFAOYSA-N 1 0 409.493 4.079 20 30 HIEDRO COc1cc(C[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)ccc1C#N ZINC000441334227 866405534 /nfs/dbraw/zinc/40/55/34/866405534.db2.gz NMKKSOCVQAQTRB-UHFFFAOYSA-N 1 0 406.404 4.261 20 30 HIEDRO COc1cc(C[NH2+]Cc2ccccc2-c2ccc(Cn3cncn3)cc2)ccc1C#N ZINC000442847612 867696702 /nfs/dbraw/zinc/69/67/02/867696702.db2.gz QSRFGCBKMBFJKD-UHFFFAOYSA-N 1 0 409.493 4.163 20 30 HIEDRO CS(=O)(=O)c1cccc([C@H]([NH2+]CC2CCC(C#N)CC2)c2ccc(F)cc2)c1 ZINC000442879904 867712830 /nfs/dbraw/zinc/71/28/30/867712830.db2.gz XEXWYVHEUDSBOD-CNXQINBVSA-N 1 0 400.519 4.238 20 30 HIEDRO CCN([C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443010375 867791589 /nfs/dbraw/zinc/79/15/89/867791589.db2.gz DKVBFVYWGKIHCG-FUHWJXTLSA-N 1 0 417.962 4.058 20 30 HIEDRO N#Cc1cccc(-c2cc(C(=O)NCc3ccccc3C[NH+]3CCCCC3)on2)c1 ZINC000468243724 882144634 /nfs/dbraw/zinc/14/46/34/882144634.db2.gz UQYAFRNOKWFMBB-UHFFFAOYSA-N 1 0 400.482 4.129 20 30 HIEDRO N#Cc1ccccc1NC(=O)CC[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC000443658078 868260014 /nfs/dbraw/zinc/26/00/14/868260014.db2.gz OMRNPXHHHWHINN-UHFFFAOYSA-N 1 0 404.333 4.375 20 30 HIEDRO C=CCOCCCC(=O)Nc1sc2c(c1C(=O)OCC)CC(C)(C)[NH2+]C2(C)C ZINC000443817136 868349974 /nfs/dbraw/zinc/34/99/74/868349974.db2.gz PQFNYGKFFMVSPB-UHFFFAOYSA-N 1 0 408.564 4.006 20 30 HIEDRO C[NH+](C)[C@@]1(CNC(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)CCSC1 ZINC000443917857 868453325 /nfs/dbraw/zinc/45/33/25/868453325.db2.gz FIHUIWLKWVJORF-OAQYLSRUSA-N 1 0 414.506 4.048 20 30 HIEDRO N#CCCCn1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c2ccccc21 ZINC000443930193 868468888 /nfs/dbraw/zinc/46/88/88/868468888.db2.gz USBOBTOJRIVVJV-UHFFFAOYSA-N 1 0 400.526 4.293 20 30 HIEDRO N#CC(CC[N@@H+]1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1)(c1ccccc1)c1ccccc1 ZINC000444666763 868945322 /nfs/dbraw/zinc/94/53/22/868945322.db2.gz RZNGQJTVZRZJMJ-PXDATVDWSA-N 1 0 413.565 4.362 20 30 HIEDRO COc1ccc(C2([NH2+]CC#Cc3ccc(OC(F)(F)F)cc3)CCOCC2)cc1F ZINC000444802804 869016806 /nfs/dbraw/zinc/01/68/06/869016806.db2.gz OQHLIBMDZBPTMK-UHFFFAOYSA-N 1 0 423.406 4.380 20 30 HIEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000445988643 869952009 /nfs/dbraw/zinc/95/20/09/869952009.db2.gz PJMANGKWPWCFSA-GIVPXCGWSA-N 1 0 404.432 4.243 20 30 HIEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC000445989332 869953344 /nfs/dbraw/zinc/95/33/44/869953344.db2.gz TYNMXQKARUTKTM-ICSRJNTNSA-N 1 0 401.432 4.119 20 30 HIEDRO O=C(C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000445995165 869958431 /nfs/dbraw/zinc/95/84/31/869958431.db2.gz YHLNRDQZITXBQI-NHCUHLMSSA-N 1 0 400.444 4.099 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(Oc3ncccc3F)CC2)c(-c2ccccc2)n1 ZINC000447069053 870948392 /nfs/dbraw/zinc/94/83/92/870948392.db2.gz QRKLSMSVFSZBNH-UHFFFAOYSA-N 1 0 405.477 4.041 20 30 HIEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000447451246 871344633 /nfs/dbraw/zinc/34/46/33/871344633.db2.gz PSVQGRPTYHSVEG-UHFFFAOYSA-N 1 0 418.522 4.323 20 30 HIEDRO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000447537543 871403493 /nfs/dbraw/zinc/40/34/93/871403493.db2.gz WRVRDQHZDWGEKX-JPYJTQIMSA-N 1 0 411.571 4.220 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([N@H+](CCc3ccccc3)Cc3cccnc3)C2=O)cc1 ZINC000447878819 871796958 /nfs/dbraw/zinc/79/69/58/871796958.db2.gz KWDHRSMADDPALD-RUZDIDTESA-N 1 0 410.521 4.194 20 30 HIEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2)c1 ZINC000448195515 872077816 /nfs/dbraw/zinc/07/78/16/872077816.db2.gz CWFJRTNWZPDVFR-RDGATRHJSA-N 1 0 415.537 4.226 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000448201662 872091433 /nfs/dbraw/zinc/09/14/33/872091433.db2.gz HURSEIZEHSIFJQ-SQJMNOBHSA-N 1 0 415.537 4.226 20 30 HIEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)s2)cc1 ZINC000448225642 872138657 /nfs/dbraw/zinc/13/86/57/872138657.db2.gz OGCMCOVIKGPIIS-RXVVDRJESA-N 1 0 421.570 4.086 20 30 HIEDRO N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(Nc4cc[nH+]cc4)cc3)s2)cc1 ZINC000468570713 882634270 /nfs/dbraw/zinc/63/42/70/882634270.db2.gz SOXQYNXCHBYXIS-UHFFFAOYSA-N 1 0 411.490 4.418 20 30 HIEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000460374707 873012285 /nfs/dbraw/zinc/01/22/85/873012285.db2.gz MBKLGEQCSSZVMQ-DHLKQENFSA-N 1 0 421.589 4.198 20 30 HIEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000460541631 873240862 /nfs/dbraw/zinc/24/08/62/873240862.db2.gz AJJQOLHBHIPRSS-JOCHJYFZSA-N 1 0 402.546 4.017 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000460769262 873615610 /nfs/dbraw/zinc/61/56/10/873615610.db2.gz HNZNZPUHSARGNT-WAGURGNTSA-N 1 0 409.578 4.018 20 30 HIEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460924039 873827904 /nfs/dbraw/zinc/82/79/04/873827904.db2.gz FOGOGWPNYZDHHJ-CTNGQTDRSA-N 1 0 404.562 4.339 20 30 HIEDRO N#CCC[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000460936911 873837668 /nfs/dbraw/zinc/83/76/68/873837668.db2.gz ZYUDUSOYSQDTPF-HJOGWXRNSA-N 1 0 402.542 4.195 20 30 HIEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460961247 873857057 /nfs/dbraw/zinc/85/70/57/873857057.db2.gz SUDNNBWRCLMXSV-NQIIRXRSSA-N 1 0 404.562 4.236 20 30 HIEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460961177 873857453 /nfs/dbraw/zinc/85/74/53/873857453.db2.gz RZHAYXMLWIRHHO-UNMCSNQZSA-N 1 0 416.573 4.406 20 30 HIEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000461442126 874497171 /nfs/dbraw/zinc/49/71/71/874497171.db2.gz JDBPOWASDMFOLN-FQEVSTJZSA-N 1 0 403.526 4.085 20 30 HIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000462056861 875170563 /nfs/dbraw/zinc/17/05/63/875170563.db2.gz IXCQQXCZLKHNEG-UHFFFAOYSA-N 1 0 403.979 4.128 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2C[C@H](OCC)C23CCC3)cc1OC ZINC000462751741 875818506 /nfs/dbraw/zinc/81/85/06/875818506.db2.gz BHKIPOWMNYFYSV-ROUUACIJSA-N 1 0 410.352 4.460 20 30 HIEDRO C[C@H]1C[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)CCN1Cc1ccccc1 ZINC000463283742 876341010 /nfs/dbraw/zinc/34/10/10/876341010.db2.gz POOZJOCUKOTPRI-IDTFWCKXSA-N 1 0 404.558 4.286 20 30 HIEDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1cccc(Br)c1 ZINC000463818062 876932409 /nfs/dbraw/zinc/93/24/09/876932409.db2.gz ZCWQMHJTDAYNAI-INIZCTEOSA-N 1 0 414.347 4.015 20 30 HIEDRO C[C@H]1C[C@@H](CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)C[N@@H+]1Cc1ccccc1 ZINC000469018159 883086433 /nfs/dbraw/zinc/08/64/33/883086433.db2.gz OAXGOLKZQCWNAJ-GHTZIAJQSA-N 1 0 414.509 4.244 20 30 HIEDRO N#CCCCN1C(=O)CCc2cc(NC3CC[NH+](CCC(F)(F)F)CC3)ccc21 ZINC000469030184 883098512 /nfs/dbraw/zinc/09/85/12/883098512.db2.gz MYNRGVXNJRFLDO-UHFFFAOYSA-N 1 0 408.468 4.098 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)CN2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)c1C ZINC000464839125 878102751 /nfs/dbraw/zinc/10/27/51/878102751.db2.gz OZJVSRHIKLNEGC-JOCHJYFZSA-N 1 0 418.585 4.147 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C ZINC000464839338 878105493 /nfs/dbraw/zinc/10/54/93/878105493.db2.gz XTZDPTRLYGACAQ-DEOSSOPVSA-N 1 0 418.585 4.004 20 30 HIEDRO CCSCC[C@@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000464850461 878128257 /nfs/dbraw/zinc/12/82/57/878128257.db2.gz DWWUBQOYDUOPCZ-OAHLLOKOSA-N 1 0 402.564 4.020 20 30 HIEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCc3cc(C#N)ccc3F)cc2)C1 ZINC000465531528 878988078 /nfs/dbraw/zinc/98/80/78/878988078.db2.gz SBFOSWQPCLPYNE-ROUUACIJSA-N 1 0 408.521 4.175 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000465720874 879295244 /nfs/dbraw/zinc/29/52/44/879295244.db2.gz OSAOILDHPXPCTG-JWQCQUIFSA-N 1 0 416.569 4.380 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503437105 912446451 /nfs/dbraw/zinc/44/64/51/912446451.db2.gz WWYMYJYRQIKIKZ-OALUTQOASA-N 1 0 412.603 4.064 20 30 HIEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503438209 912450500 /nfs/dbraw/zinc/45/05/00/912450500.db2.gz SUUBWXFICIIYEW-VQIMIIECSA-N 1 0 417.962 4.058 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000465803620 879414803 /nfs/dbraw/zinc/41/48/03/879414803.db2.gz BQHWDMGCSQLMDF-PMOQBDJRSA-N 1 0 422.598 4.441 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2cccc(OC)c2)c2ccccc2Cl)CC1 ZINC000465854271 879499425 /nfs/dbraw/zinc/49/94/25/879499425.db2.gz HBJJIIXAGRNLDR-QFIPXVFZSA-N 1 0 413.949 4.388 20 30 HIEDRO C[NH+](C)CCc1ccc(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1 ZINC000466365783 880125599 /nfs/dbraw/zinc/12/55/99/880125599.db2.gz ZUVKCOOXNPZHQG-UHFFFAOYSA-N 1 0 419.554 4.031 20 30 HIEDRO C[C@@H]1C[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[N@@H+]1Cc1ccccc1 ZINC000467043887 880838880 /nfs/dbraw/zinc/83/88/80/880838880.db2.gz HFAQZTSHCNSGIY-NQIIRXRSSA-N 1 0 415.493 4.123 20 30 HIEDRO Cc1oc2ccccc2c1CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000467265518 881004260 /nfs/dbraw/zinc/00/42/60/881004260.db2.gz IATMXXDVKPIZNT-UHFFFAOYSA-N 1 0 402.498 4.030 20 30 HIEDRO COCC[C@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 ZINC000467266188 881005331 /nfs/dbraw/zinc/00/53/31/881005331.db2.gz OBCMJEINFLZLHV-JOCHJYFZSA-N 1 0 422.573 4.102 20 30 HIEDRO COCC[C@@H]1CCCC[N@@H+]([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000467281125 881026537 /nfs/dbraw/zinc/02/65/37/881026537.db2.gz UERBTQLTCZSPIM-IRXDYDNUSA-N 1 0 403.592 4.354 20 30 HIEDRO C=CCC[N@@H+](C)CC(=O)N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000467298352 881043790 /nfs/dbraw/zinc/04/37/90/881043790.db2.gz UTGVPDWDUBYRIT-HXUWFJFHSA-N 1 0 416.447 4.295 20 30 HIEDRO N#Cc1ccc(OCC[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)cc1 ZINC000467409725 881196791 /nfs/dbraw/zinc/19/67/91/881196791.db2.gz ZXUIACDDDKOEFK-OAQYLSRUSA-N 1 0 415.331 4.457 20 30 HIEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)cc2)C1 ZINC000469147848 883245642 /nfs/dbraw/zinc/24/56/42/883245642.db2.gz URPDTNCMRJPDEX-KRWDZBQOSA-N 1 0 416.481 4.186 20 30 HIEDRO C[C@H]1CN(Cc2cccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)c2)C[C@H](C)O1 ZINC000469163988 883260925 /nfs/dbraw/zinc/26/09/25/883260925.db2.gz VTQCVWXNRCXFNU-IRXDYDNUSA-N 1 0 416.481 4.075 20 30 HIEDRO C[NH+](C)CCc1ccc(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)cc1 ZINC000469495595 883737821 /nfs/dbraw/zinc/73/78/21/883737821.db2.gz JAWQFMVLKCVZKH-UHFFFAOYSA-N 1 0 413.521 4.171 20 30 HIEDRO N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000469990836 884206265 /nfs/dbraw/zinc/20/62/65/884206265.db2.gz LUPIOPYDHCRJOY-KXTRFFEISA-N 1 0 417.553 4.419 20 30 HIEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000470025340 884244874 /nfs/dbraw/zinc/24/48/74/884244874.db2.gz VPEDRKYBXVMEAK-INIZCTEOSA-N 1 0 404.297 4.347 20 30 HIEDRO C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000470216642 884543892 /nfs/dbraw/zinc/54/38/92/884543892.db2.gz UOZYSSGXRSUVPJ-GOSISDBHSA-N 1 0 407.489 4.294 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000503927218 912868362 /nfs/dbraw/zinc/86/83/62/912868362.db2.gz HTFAKHJDZOYPNZ-NRFANRHFSA-N 1 0 416.437 4.012 20 30 HIEDRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc([C@H](C#N)c3ccccc3)c(Cl)c2)n1 ZINC000470613914 885039983 /nfs/dbraw/zinc/03/99/83/885039983.db2.gz SJMWTQAKIVMLAC-LJQANCHMSA-N 1 0 422.920 4.398 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000471169505 885725875 /nfs/dbraw/zinc/72/58/75/885725875.db2.gz OXOIMOQFBILCHW-FPOVZHCZSA-N 1 0 422.598 4.478 20 30 HIEDRO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)Nc1cccc(C#Cc2ccccn2)c1 ZINC000471289081 885874046 /nfs/dbraw/zinc/87/40/46/885874046.db2.gz UYPQYPDYLOVVCQ-HSZRJFAPSA-N 1 0 410.521 4.125 20 30 HIEDRO C=CCOc1c(Br)cc(CNC[C@@H](C(C)C)[NH+]2CCCC2)cc1OC ZINC000504120148 913026761 /nfs/dbraw/zinc/02/67/61/913026761.db2.gz OULPKDRVHPCYJC-SFHVURJKSA-N 1 0 411.384 4.233 20 30 HIEDRO C[N@H+](Cc1ccccc1CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C1CCCCC1 ZINC000471795520 886530216 /nfs/dbraw/zinc/53/02/16/886530216.db2.gz ZXGZCJCEWBLOEJ-DEOSSOPVSA-N 1 0 414.553 4.321 20 30 HIEDRO Cn1cc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c2ccc(F)cc21 ZINC000472065454 886872663 /nfs/dbraw/zinc/87/26/63/886872663.db2.gz MQCHSFHXAUPXNN-UHFFFAOYSA-N 1 0 401.489 4.427 20 30 HIEDRO CCC(CC)(CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000472157243 886955642 /nfs/dbraw/zinc/95/56/42/886955642.db2.gz MSZNXDLVYMXXAX-WMZHIEFXSA-N 1 0 402.542 4.266 20 30 HIEDRO CC(C)(C#N)CCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1 ZINC000472431156 887280004 /nfs/dbraw/zinc/28/00/04/887280004.db2.gz LLWYVYCJKLCCBQ-QHCPKHFHSA-N 1 0 407.533 4.241 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@H](c2ccc(F)cc2)C1 ZINC000472535083 887407816 /nfs/dbraw/zinc/40/78/16/887407816.db2.gz CXMUJABWJNLMHC-GMAHTHKFSA-N 1 0 408.521 4.107 20 30 HIEDRO C[C@H](CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[N@H+](C)Cc1ccccc1 ZINC000473027467 887851785 /nfs/dbraw/zinc/85/17/85/887851785.db2.gz ZHSRZHKQWPGBDF-HXUWFJFHSA-N 1 0 420.557 4.022 20 30 HIEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1 ZINC000473399709 888114812 /nfs/dbraw/zinc/11/48/12/888114812.db2.gz SWJXYPKAWWMDGS-VWLOTQADSA-N 1 0 422.532 4.286 20 30 HIEDRO N#Cc1ccc(CSCC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000473507681 888236630 /nfs/dbraw/zinc/23/66/30/888236630.db2.gz OJJONLMLJHAABX-RUZDIDTESA-N 1 0 419.594 4.306 20 30 HIEDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cc(F)cc(C(F)(F)F)c1 ZINC000473528819 888266814 /nfs/dbraw/zinc/26/68/14/888266814.db2.gz MSSUAPBCPQBKSU-UHFFFAOYSA-N 1 0 412.349 4.380 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000504421199 913235759 /nfs/dbraw/zinc/23/57/59/913235759.db2.gz FBNHOHYSROFUAL-WOJBJXKFSA-N 1 0 419.569 4.017 20 30 HIEDRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)c2)CC1 ZINC000473825599 888658567 /nfs/dbraw/zinc/65/85/67/888658567.db2.gz CPAYKWYHWNXZQU-DNQXCXABSA-N 1 0 417.557 4.132 20 30 HIEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cc2cccc(F)c2o1 ZINC000473870111 888730185 /nfs/dbraw/zinc/73/01/85/888730185.db2.gz AZRVOFNLMSMRCN-MRXNPFEDSA-N 1 0 408.477 4.278 20 30 HIEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 ZINC000473989384 888849970 /nfs/dbraw/zinc/84/99/70/888849970.db2.gz ZWVZKXZWOOQWQW-IBGZPJMESA-N 1 0 419.529 4.006 20 30 HIEDRO CN(C(=O)Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474627312 889489537 /nfs/dbraw/zinc/48/95/37/889489537.db2.gz DIQRPQNVXWFSIC-VWLOTQADSA-N 1 0 410.521 4.220 20 30 HIEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1O2 ZINC000474787527 889645324 /nfs/dbraw/zinc/64/53/24/889645324.db2.gz KTKGRFHTJRWWBC-RBBKRZOGSA-N 1 0 403.526 4.178 20 30 HIEDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1OC ZINC000474888766 889745852 /nfs/dbraw/zinc/74/58/52/889745852.db2.gz UQKFUCOUHGPTOR-ZGDXVETISA-N 1 0 409.530 4.442 20 30 HIEDRO COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1OC ZINC000474888763 889745937 /nfs/dbraw/zinc/74/59/37/889745937.db2.gz UQKFUCOUHGPTOR-AMZMEHNNSA-N 1 0 409.530 4.442 20 30 HIEDRO CC(C)(C)OCCCC[NH+]1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000474967005 889822609 /nfs/dbraw/zinc/82/26/09/889822609.db2.gz JLTPMBRCWHMWJA-IBGZPJMESA-N 1 0 408.384 4.227 20 30 HIEDRO N#CCCn1cc(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(-c2ccccc2)n1 ZINC000475352142 890276636 /nfs/dbraw/zinc/27/66/36/890276636.db2.gz IRXFSXMEBTXHEB-PSWAGMNNSA-N 1 0 411.553 4.028 20 30 HIEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C[C@@H](CC#N)c2ccccc2)CC1 ZINC000475464478 890374613 /nfs/dbraw/zinc/37/46/13/890374613.db2.gz WEWTYPUTAQXUMH-TZIWHRDSSA-N 1 0 422.548 4.232 20 30 HIEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[C@@H](CC#N)c1ccccc1 ZINC000475527202 890451726 /nfs/dbraw/zinc/45/17/26/890451726.db2.gz HACPVKXGMXEBKP-HXUWFJFHSA-N 1 0 403.530 4.404 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000475559767 890488739 /nfs/dbraw/zinc/48/87/39/890488739.db2.gz QEPZDNPGKYBZDX-UHFFFAOYSA-N 1 0 412.622 4.420 20 30 HIEDRO COC[C@@H](Cc1ccccc1)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000475742754 890685546 /nfs/dbraw/zinc/68/55/46/890685546.db2.gz SRTSZZOKNYIWDL-GOSISDBHSA-N 1 0 411.571 4.017 20 30 HIEDRO N#CC[C@@H](CC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000475758341 890705554 /nfs/dbraw/zinc/70/55/54/890705554.db2.gz LXDKGVXDDHQYMG-NRFANRHFSA-N 1 0 424.976 4.056 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2OC)cc1 ZINC000476266446 891187716 /nfs/dbraw/zinc/18/77/16/891187716.db2.gz WYFXJYWDCHOJIC-QFIPXVFZSA-N 1 0 421.541 4.048 20 30 HIEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@@H](C)C1 ZINC000476832664 891812981 /nfs/dbraw/zinc/81/29/81/891812981.db2.gz RZANLMZCQFPJLJ-HTAPYJJXSA-N 1 0 424.520 4.470 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000476942544 891883024 /nfs/dbraw/zinc/88/30/24/891883024.db2.gz MAQFHGFMVJZUOX-IBGZPJMESA-N 1 0 424.358 4.379 20 30 HIEDRO C=C(C)[C@@H](NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000476948235 891885576 /nfs/dbraw/zinc/88/55/76/891885576.db2.gz CDIXHVJTSLCZKO-AUSIDOKSSA-N 1 0 413.512 4.446 20 30 HIEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000477841491 892899726 /nfs/dbraw/zinc/89/97/26/892899726.db2.gz AOUIAUJMFLGVAR-YJBOKZPZSA-N 1 0 407.436 4.079 20 30 HIEDRO CCc1nc2c(s1)[C@H]([N@H+](C)CCC(=O)Nc1sc3c(c1C#N)CCC3)CCC2 ZINC000478035528 893164987 /nfs/dbraw/zinc/16/49/87/893164987.db2.gz PBZXSAXTTWGEMC-MRXNPFEDSA-N 1 0 414.600 4.465 20 30 HIEDRO Cn1cc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000478195705 893357945 /nfs/dbraw/zinc/35/79/45/893357945.db2.gz KTAGNZXYRCONGK-WMZHIEFXSA-N 1 0 405.571 4.193 20 30 HIEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1c(F)cccc1Cl ZINC000478363982 893622720 /nfs/dbraw/zinc/62/27/20/893622720.db2.gz BCVMWGNLZQTSIZ-OAHLLOKOSA-N 1 0 402.901 4.185 20 30 HIEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccccc2C#N)[C@@H]2CCCC[C@@H]12 ZINC000479110069 894377434 /nfs/dbraw/zinc/37/74/34/894377434.db2.gz ZRGUMFUYGNDVIV-DUZVJDNUSA-N 1 0 424.589 4.071 20 30 HIEDRO CC[NH+](CC)CC1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000479189382 894456721 /nfs/dbraw/zinc/45/67/21/894456721.db2.gz NTHZXXDUOROBLZ-UHFFFAOYSA-N 1 0 412.578 4.012 20 30 HIEDRO CC[C@H](Oc1ccccc1Cl)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479208878 894472538 /nfs/dbraw/zinc/47/25/38/894472538.db2.gz BBXLSXZBDVZVQR-FQEVSTJZSA-N 1 0 411.933 4.172 20 30 HIEDRO Cc1cc(OCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1C(C)C ZINC000479213288 894477705 /nfs/dbraw/zinc/47/77/05/894477705.db2.gz IROBCDUYBFKEEH-UHFFFAOYSA-N 1 0 405.542 4.172 20 30 HIEDRO Cc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c(Br)c1 ZINC000479213722 894478006 /nfs/dbraw/zinc/47/80/06/894478006.db2.gz IYWZQRFQXJWDBX-UHFFFAOYSA-N 1 0 412.331 4.046 20 30 HIEDRO N#CC1(NC(=O)c2cccc(OC3CCCC3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479243940 894506695 /nfs/dbraw/zinc/50/66/95/894506695.db2.gz MKSUPHUUARXGKJ-UHFFFAOYSA-N 1 0 403.526 4.296 20 30 HIEDRO N#CC1(NC(=O)Cc2cc(Cl)ccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000479255057 894520240 /nfs/dbraw/zinc/52/02/40/894520240.db2.gz XJRVQPPFLMAGBK-UHFFFAOYSA-N 1 0 402.325 4.210 20 30 HIEDRO C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479256155 894523103 /nfs/dbraw/zinc/52/31/03/894523103.db2.gz YQVDFXTWPBVNRC-HXUWFJFHSA-N 1 0 419.569 4.426 20 30 HIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCCc4cc(Br)ccc43)C2=O)cc1 ZINC000479458926 894780070 /nfs/dbraw/zinc/78/00/70/894780070.db2.gz UYJGEZRYHXBQAJ-SFTDATJTSA-N 1 0 424.342 4.089 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000479697656 894988997 /nfs/dbraw/zinc/98/89/97/894988997.db2.gz YJDZQPKCMBIJDA-NHCUHLMSSA-N 1 0 403.615 4.310 20 30 HIEDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000480051241 895398594 /nfs/dbraw/zinc/39/85/94/895398594.db2.gz NFJIJWLUPFIMBR-UHFFFAOYSA-N 1 0 410.525 4.175 20 30 HIEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[NH+](C)C ZINC000480289459 895694484 /nfs/dbraw/zinc/69/44/84/895694484.db2.gz GRYORLUFYBUHGD-OPAMFIHVSA-N 1 0 420.492 4.004 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C[C@H](CO)Cc3ccc(F)c(F)c3)c2)c1 ZINC000480475696 895855790 /nfs/dbraw/zinc/85/57/90/895855790.db2.gz YDHZRWAHMCROGI-JOCHJYFZSA-N 1 0 422.475 4.356 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000481123311 896449592 /nfs/dbraw/zinc/44/95/92/896449592.db2.gz XFNZRJJMZTVBAT-HSZRJFAPSA-N 1 0 409.578 4.216 20 30 HIEDRO C=CCSc1ccccc1NC(=O)CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481183952 896531008 /nfs/dbraw/zinc/53/10/08/896531008.db2.gz SRUSBLZIEGABDT-CTNGQTDRSA-N 1 0 409.599 4.403 20 30 HIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000481347001 896718243 /nfs/dbraw/zinc/71/82/43/896718243.db2.gz LOHVGPGDMZHIOX-RBZFPXEDSA-N 1 0 417.962 4.456 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2F)c1 ZINC000481620068 897003270 /nfs/dbraw/zinc/00/32/70/897003270.db2.gz CIHLHJBVRCWVRY-PMACEKPBSA-N 1 0 408.477 4.025 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000481647566 897033153 /nfs/dbraw/zinc/03/31/53/897033153.db2.gz UGTWGJXQVRSJPT-DEOSSOPVSA-N 1 0 423.582 4.290 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481755749 897144235 /nfs/dbraw/zinc/14/42/35/897144235.db2.gz ZYFJUUUECNAUJT-WILYLXEWSA-N 1 0 410.331 4.072 20 30 HIEDRO Cc1cc(NC(=O)C2(c3cccc(C#N)c3)CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482015286 897416092 /nfs/dbraw/zinc/41/60/92/897416092.db2.gz IXOKNXFVYAXAAT-UHFFFAOYSA-N 1 0 402.542 4.067 20 30 HIEDRO COc1ccc(C[NH+]2CCC(O)(Cc3ccc(F)cc3)CC2)cc1OCCCC#N ZINC000482311130 897809570 /nfs/dbraw/zinc/80/95/70/897809570.db2.gz RVVHCQGAXXPYTH-UHFFFAOYSA-N 1 0 412.505 4.086 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(Cl)ccc1OC(F)F ZINC000482541350 898129402 /nfs/dbraw/zinc/12/94/02/898129402.db2.gz ZKCKGTZCZPQGSW-UHFFFAOYSA-N 1 0 407.848 4.017 20 30 HIEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CCN[C@@H](c3cccc(F)c3)C2)c1 ZINC000505550231 914252056 /nfs/dbraw/zinc/25/20/56/914252056.db2.gz MTCBCCSKFAPSGU-HSZRJFAPSA-N 1 0 415.468 4.063 20 30 HIEDRO C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000482874698 898488735 /nfs/dbraw/zinc/48/87/35/898488735.db2.gz JLJNWCILVFMQOA-UCFCWBNQSA-N 1 0 406.549 4.166 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000482879248 898492416 /nfs/dbraw/zinc/49/24/16/898492416.db2.gz XNONCNHVBSQUDF-MAUKXSAKSA-N 1 0 406.505 4.247 20 30 HIEDRO N#Cc1ccc(SCC(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1 ZINC000482935319 898556958 /nfs/dbraw/zinc/55/69/58/898556958.db2.gz UMZMMAWKDQGQRV-UHFFFAOYSA-N 1 0 422.554 4.104 20 30 HIEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC[C@H]21 ZINC000482989955 898632030 /nfs/dbraw/zinc/63/20/30/898632030.db2.gz VQQKPBDAFODKMQ-GBXCKJPGSA-N 1 0 418.541 4.280 20 30 HIEDRO CC(C)C[C@](C)([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(Br)c1 ZINC000483058160 898732439 /nfs/dbraw/zinc/73/24/39/898732439.db2.gz IXTQBCHQCHVOHV-PMACEKPBSA-N 1 0 406.368 4.108 20 30 HIEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC[C@@H]21 ZINC000483369709 899006536 /nfs/dbraw/zinc/00/65/36/899006536.db2.gz SXPFNEBJHPOZBZ-UGKGYDQZSA-N 1 0 422.504 4.224 20 30 HIEDRO CS[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000483391280 899026040 /nfs/dbraw/zinc/02/60/40/899026040.db2.gz HUUKPLZELSIAHB-RBBKRZOGSA-N 1 0 423.607 4.361 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3nc4cc(C(F)(F)F)ccc4o3)CC2)cc1 ZINC000483428320 899057341 /nfs/dbraw/zinc/05/73/41/899057341.db2.gz VJXFVLGISXQGIE-UHFFFAOYSA-N 1 0 414.431 4.426 20 30 HIEDRO Cc1ccc(-c2noc([C@@H](C)NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)n2)cc1F ZINC000483660343 899320891 /nfs/dbraw/zinc/32/08/91/899320891.db2.gz MFCPBFAUNGBMCO-QGZVFWFLSA-N 1 0 419.504 4.371 20 30 HIEDRO Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1-c1ncco1 ZINC000483758913 899422227 /nfs/dbraw/zinc/42/22/27/899422227.db2.gz JOSPMSMFGIILCX-UHFFFAOYSA-N 1 0 415.497 4.262 20 30 HIEDRO COc1cccc([C@H](CNC(=O)Nc2cc(C#N)ccc2OC(C)C)[NH+]2CCCC2)c1 ZINC000505654617 914351167 /nfs/dbraw/zinc/35/11/67/914351167.db2.gz ALRFAURIZCNROM-QFIPXVFZSA-N 1 0 422.529 4.313 20 30 HIEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)c(OC)c1 ZINC000484349981 899899077 /nfs/dbraw/zinc/89/90/77/899899077.db2.gz KUWFACFIQHGUPB-QFBILLFUSA-N 1 0 401.469 4.074 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000484719471 900150797 /nfs/dbraw/zinc/15/07/97/900150797.db2.gz NKKWSNUJWMLORB-NZQKXSOJSA-N 1 0 409.578 4.387 20 30 HIEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C[C@H]1C ZINC000484991736 900345452 /nfs/dbraw/zinc/34/54/52/900345452.db2.gz BVIQUKBYCPWEEA-VGOFRKELSA-N 1 0 419.529 4.147 20 30 HIEDRO Cc1cc(C)c(NC(=O)CCC[NH+]2CCN(c3cccc(F)c3C#N)CC2)c(C)c1 ZINC000485014840 900362491 /nfs/dbraw/zinc/36/24/91/900362491.db2.gz RXJXGVXFJZFFJJ-UHFFFAOYSA-N 1 0 408.521 4.164 20 30 HIEDRO C[C@@H](NC(=O)NCCSCc1ccccc1C#N)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485144986 900446210 /nfs/dbraw/zinc/44/62/10/900446210.db2.gz JSHIYOXCEGKLOA-KNQAVFIVSA-N 1 0 422.598 4.001 20 30 HIEDRO C[C@H](Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485162928 900461710 /nfs/dbraw/zinc/46/17/10/900461710.db2.gz SQADNZDRFUNOJM-WMZOPIPTSA-N 1 0 401.470 4.337 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(-c3ccc(Cl)cc3)c2CC)CC1 ZINC000485312132 900590377 /nfs/dbraw/zinc/59/03/77/900590377.db2.gz BQKAGDRTOCMCIH-UHFFFAOYSA-N 1 0 401.942 4.250 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C2CC2)nc(SC)c1C#N)c1ccccc1 ZINC000485449040 900743194 /nfs/dbraw/zinc/74/31/94/900743194.db2.gz AMBKTXZBFCCATN-OAQYLSRUSA-N 1 0 408.571 4.365 20 30 HIEDRO Cc1cc(C)c(NC(=O)CCC[NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)c(C)c1 ZINC000485686308 900937581 /nfs/dbraw/zinc/93/75/81/900937581.db2.gz JMXJBEHCSDYYJB-QHCPKHFHSA-N 1 0 404.558 4.213 20 30 HIEDRO CC[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1cc(F)cc(Br)c1 ZINC000486109724 901296264 /nfs/dbraw/zinc/29/62/64/901296264.db2.gz NXUZBUZBDGWFFI-JKSUJKDBSA-N 1 0 422.323 4.368 20 30 HIEDRO CC(C)(C#N)c1ccccc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486846700 901892547 /nfs/dbraw/zinc/89/25/47/901892547.db2.gz ZPPGARBZYONFFJ-CJFMBICVSA-N 1 0 413.525 4.486 20 30 HIEDRO C=CCc1cc(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc(OC)c1OC ZINC000505930944 914582997 /nfs/dbraw/zinc/58/29/97/914582997.db2.gz USZKKKRPZZDFJW-MOPGFXCFSA-N 1 0 400.563 4.159 20 30 HIEDRO N#C[C@@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000505944485 914597001 /nfs/dbraw/zinc/59/70/01/914597001.db2.gz SQUVUEXQZYAERB-LJQANCHMSA-N 1 0 419.472 4.249 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000487400654 902184711 /nfs/dbraw/zinc/18/47/11/902184711.db2.gz DVPRRVCRSXCDNH-QFBILLFUSA-N 1 0 420.582 4.193 20 30 HIEDRO N#Cc1cccc(OCc2ccoc2C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000487845765 902403482 /nfs/dbraw/zinc/40/34/82/902403482.db2.gz SSMCOQNJQLIYHI-OAQYLSRUSA-N 1 0 421.541 4.458 20 30 HIEDRO N#Cc1ccc(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1Br ZINC000487881043 902424698 /nfs/dbraw/zinc/42/46/98/902424698.db2.gz NJIIEXAAWLXKLA-UHFFFAOYSA-N 1 0 413.319 4.238 20 30 HIEDRO C[NH+]1CCC(n2ccc(NC(=O)Nc3ccc(Oc4cccc(C#N)c4)cc3)n2)CC1 ZINC000488315952 902763668 /nfs/dbraw/zinc/76/36/68/902763668.db2.gz GALORRLOOSSQPN-UHFFFAOYSA-N 1 0 416.485 4.458 20 30 HIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CCCc4ccc(Br)cc43)C2=O)cc1 ZINC000488471848 902843393 /nfs/dbraw/zinc/84/33/93/902843393.db2.gz XMXHLBUSMXLKOI-SFTDATJTSA-N 1 0 424.342 4.089 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489791005 903602002 /nfs/dbraw/zinc/60/20/02/903602002.db2.gz YHPLKXGCIAEJFS-DLBZAZTESA-N 1 0 412.347 4.159 20 30 HIEDRO C[NH+]1CCC(n2ccc(NC(=O)c3ccc(Sc4ccccc4C#N)cc3)n2)CC1 ZINC000489999092 903717492 /nfs/dbraw/zinc/71/74/92/903717492.db2.gz FMECOIRTVYWEKK-UHFFFAOYSA-N 1 0 417.538 4.425 20 30 HIEDRO Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000490088067 903765454 /nfs/dbraw/zinc/76/54/54/903765454.db2.gz KWTXWZZBRKMAGW-HXUWFJFHSA-N 1 0 407.905 4.264 20 30 HIEDRO Cn1cc(C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000490570247 904108076 /nfs/dbraw/zinc/10/80/76/904108076.db2.gz PVCIRUAOKKTWLD-DEOSSOPVSA-N 1 0 400.526 4.182 20 30 HIEDRO Cc1c(C[NH+]2CCSCC2)cccc1NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491043107 904392360 /nfs/dbraw/zinc/39/23/60/904392360.db2.gz ZBJDELSIEFRUPU-UHFFFAOYSA-N 1 0 417.582 4.428 20 30 HIEDRO C[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000491227275 904490353 /nfs/dbraw/zinc/49/03/53/904490353.db2.gz AZURVCONDFJIFB-CPJSRVTESA-N 1 0 413.569 4.444 20 30 HIEDRO COc1ccc(C[C@H]2CCC[N@H+](Cc3cn(C)nc3-c3ccc(C#N)cc3)C2)cc1 ZINC000491247925 904500785 /nfs/dbraw/zinc/50/07/85/904500785.db2.gz HBAOKBWXMVKJQE-OAQYLSRUSA-N 1 0 400.526 4.422 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCc1csc2ccccc12 ZINC000506178281 914834481 /nfs/dbraw/zinc/83/44/81/914834481.db2.gz TYXXDZFVJNIIKX-UHFFFAOYSA-N 1 0 406.555 4.089 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCc3csc4ccccc34)CC2)cc1 ZINC000506199321 914842106 /nfs/dbraw/zinc/84/21/06/914842106.db2.gz HIDDQWLYPGTFJR-UHFFFAOYSA-N 1 0 418.566 4.233 20 30 HIEDRO COc1cc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCC3)ccc1SC ZINC000492352223 904837939 /nfs/dbraw/zinc/83/79/39/904837939.db2.gz OUFALSDBIFWRTE-UHFFFAOYSA-N 1 0 415.584 4.300 20 30 HIEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000492693628 904889233 /nfs/dbraw/zinc/88/92/33/904889233.db2.gz XXAJBGPELCLZJM-IBGZPJMESA-N 1 0 405.542 4.406 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](c4nc5ccc(F)cc5o4)C3)C2=O)cc1 ZINC000492731563 904896182 /nfs/dbraw/zinc/89/61/82/904896182.db2.gz WVENMIZLMDYGHE-DYESRHJHSA-N 1 0 418.472 4.214 20 30 HIEDRO C[C@@H]1C[C@@H](CCNC(=O)NC2(c3cccc(C#N)c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512393009 921128472 /nfs/dbraw/zinc/12/84/72/921128472.db2.gz NBUFMPRBMUBJFL-DENIHFKCSA-N 1 0 402.542 4.147 20 30 HIEDRO N#Cc1cnc2ccccc2c1N1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000512411320 921143959 /nfs/dbraw/zinc/14/39/59/921143959.db2.gz XODAOGZNKHHCLK-UHFFFAOYSA-N 1 0 405.505 4.491 20 30 HIEDRO C[C@@H]1[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494069310 905406645 /nfs/dbraw/zinc/40/66/45/905406645.db2.gz ODYHUHNDMAIUMH-WZONZLPQSA-N 1 0 412.493 4.138 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)c1cccc(F)c1 ZINC000494157124 905492362 /nfs/dbraw/zinc/49/23/62/905492362.db2.gz GEIHRORCYYVLBV-DEOSSOPVSA-N 1 0 417.484 4.309 20 30 HIEDRO C=CCc1cc(C[N@@H+]2CCC[C@H](CNC(=O)Nc3ccc(C)cc3)C2)cc(OC)c1O ZINC000512445207 921166450 /nfs/dbraw/zinc/16/64/50/921166450.db2.gz XPVBNZBXVFHJSW-LJQANCHMSA-N 1 0 423.557 4.471 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494445587 905731586 /nfs/dbraw/zinc/73/15/86/905731586.db2.gz JVTRRBJHWXWAFL-NXXSPTCGSA-N 1 0 404.297 4.312 20 30 HIEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494455056 905737854 /nfs/dbraw/zinc/73/78/54/905737854.db2.gz LPEBJQDBZUIVQF-PIPMEXSNSA-N 1 0 405.897 4.067 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000494471121 905752739 /nfs/dbraw/zinc/75/27/39/905752739.db2.gz WLOKWHHVMKSPHH-WILYLXEWSA-N 1 0 415.946 4.209 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)cc2)c1C ZINC000494496768 905783907 /nfs/dbraw/zinc/78/39/07/905783907.db2.gz POWATZZVLIWKDW-OFNKIYASSA-N 1 0 411.933 4.323 20 30 HIEDRO CC[C@@H]1CCCCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000495051484 906204856 /nfs/dbraw/zinc/20/48/56/906204856.db2.gz VXWBKMDVEXZPDW-RTBURBONSA-N 1 0 412.578 4.011 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000495162172 906279008 /nfs/dbraw/zinc/27/90/08/906279008.db2.gz PUEFNMYTAPZFDW-SFHVURJKSA-N 1 0 423.582 4.395 20 30 HIEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000495247832 906335112 /nfs/dbraw/zinc/33/51/12/906335112.db2.gz CQSXONWCFYPEEE-FZKQIMNGSA-N 1 0 410.331 4.027 20 30 HIEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000495419242 906439658 /nfs/dbraw/zinc/43/96/58/906439658.db2.gz AHIGEDTXKYAXBX-OAHLLOKOSA-N 1 0 419.495 4.249 20 30 HIEDRO C[C@@H](NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000512637500 921270360 /nfs/dbraw/zinc/27/03/60/921270360.db2.gz WKDPODDTSAIDDZ-OAHLLOKOSA-N 1 0 420.454 4.319 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000497493705 906977082 /nfs/dbraw/zinc/97/70/82/906977082.db2.gz UYZOQHQLGYZMKI-UHFFFAOYSA-N 1 0 420.557 4.300 20 30 HIEDRO CCN(CC(O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497766591 907259315 /nfs/dbraw/zinc/25/93/15/907259315.db2.gz FNKHGKLVVFVXOA-PMACEKPBSA-N 1 0 404.558 4.257 20 30 HIEDRO CCN(C[C@H](O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497766588 907259477 /nfs/dbraw/zinc/25/94/77/907259477.db2.gz FNKHGKLVVFVXOA-FZWXVRBQSA-N 1 0 404.558 4.257 20 30 HIEDRO CCN(CC(O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497766592 907259793 /nfs/dbraw/zinc/25/97/93/907259793.db2.gz FNKHGKLVVFVXOA-WOJBJXKFSA-N 1 0 404.558 4.257 20 30 HIEDRO Cc1cc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)ccc1OCC[NH+]1CCCC1 ZINC000512794294 921312776 /nfs/dbraw/zinc/31/27/76/921312776.db2.gz ZHQYYLJGOLXDPQ-UHFFFAOYSA-N 1 0 407.489 4.151 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)c(F)c1 ZINC000512801956 921314041 /nfs/dbraw/zinc/31/40/41/921314041.db2.gz PKOATTZJIIOXKZ-UHFFFAOYSA-N 1 0 412.490 4.285 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)COc3cccc4ccccc43)CC2)c(F)c1 ZINC000512812601 921317832 /nfs/dbraw/zinc/31/78/32/921317832.db2.gz WKBIOHKNJVUZMK-HXUWFJFHSA-N 1 0 420.484 4.134 20 30 HIEDRO CC(C)CNC(=O)c1cccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)c1 ZINC000512828044 921332613 /nfs/dbraw/zinc/33/26/13/921332613.db2.gz MMYJDUAWVUFEPQ-UHFFFAOYSA-N 1 0 409.505 4.127 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)Cc3ccccc3C(F)(F)F)CC2)c(F)c1 ZINC000512828836 921333342 /nfs/dbraw/zinc/33/33/42/921333342.db2.gz RKLHHGAMOBTOCT-KRWDZBQOSA-N 1 0 422.422 4.163 20 30 HIEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000498104323 907613179 /nfs/dbraw/zinc/61/31/79/907613179.db2.gz UZBYRKBSXJUVOK-QFIPXVFZSA-N 1 0 413.945 4.403 20 30 HIEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 ZINC000498464160 907929757 /nfs/dbraw/zinc/92/97/57/907929757.db2.gz YBCSUQRCHMUWFE-HXUWFJFHSA-N 1 0 405.542 4.379 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1C ZINC000498482408 907953903 /nfs/dbraw/zinc/95/39/03/907953903.db2.gz URVXXOMPCPSDJE-IBGZPJMESA-N 1 0 421.589 4.323 20 30 HIEDRO C[NH+](C)CCOc1cccc(NC(=O)c2cccc(OCc3ccccc3C#N)c2)c1 ZINC000498523756 907994189 /nfs/dbraw/zinc/99/41/89/907994189.db2.gz CCIFYMYCHVOEIY-UHFFFAOYSA-N 1 0 415.493 4.330 20 30 HIEDRO COc1cccc(C2CC[NH+]([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)c1 ZINC000498692544 908121831 /nfs/dbraw/zinc/12/18/31/908121831.db2.gz GQWRFNPSMBIUII-GOSISDBHSA-N 1 0 409.505 4.349 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC2CC[NH+](C(C)(C)C)CC2)cc1C ZINC000498716962 908141898 /nfs/dbraw/zinc/14/18/98/908141898.db2.gz NCGUZFZNSUBOQU-UHFFFAOYSA-N 1 0 407.562 4.073 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000499043091 908415823 /nfs/dbraw/zinc/41/58/23/908415823.db2.gz JYKLLUCNDXBKGO-PMACEKPBSA-N 1 0 415.459 4.271 20 30 HIEDRO COc1ccc(C[C@@H]([NH2+]CC(=O)Nc2sccc2C#N)c2ccc(OC)cc2)cc1 ZINC000499047125 908419627 /nfs/dbraw/zinc/41/96/27/908419627.db2.gz AOZAXASQEXOJAB-OAQYLSRUSA-N 1 0 421.522 4.149 20 30 HIEDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cn(CCC#N)nc1-c1ccc(C)c(C)c1 ZINC000499708941 908884363 /nfs/dbraw/zinc/88/43/63/908884363.db2.gz HRJFYWFFZKAYSS-NRFANRHFSA-N 1 0 407.562 4.075 20 30 HIEDRO COCC[N@H+](CCCC1(C#N)CCOCC1)Cc1cc(Br)cs1 ZINC000499731183 908892797 /nfs/dbraw/zinc/89/27/97/908892797.db2.gz FERDPIBLFUHPOV-UHFFFAOYSA-N 1 0 401.370 4.060 20 30 HIEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000499867659 909002443 /nfs/dbraw/zinc/00/24/43/909002443.db2.gz QESWMSOEONCBLR-UHFFFAOYSA-N 1 0 417.435 4.352 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)cc1OC(C)(C)C ZINC000500066309 909532616 /nfs/dbraw/zinc/53/26/16/909532616.db2.gz VBPRPYLUHGLBGU-UHFFFAOYSA-N 1 0 412.509 4.470 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)c1 ZINC000500253396 909740067 /nfs/dbraw/zinc/74/00/67/909740067.db2.gz YKHMYKRPCVXLPL-INIZCTEOSA-N 1 0 401.869 4.057 20 30 HIEDRO C/C(=C\c1ccccc1C(F)(F)F)C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000500370045 909818762 /nfs/dbraw/zinc/81/87/62/909818762.db2.gz ZXOQQAIYEIDSOK-AUFJSOOLSA-N 1 0 413.443 4.371 20 30 HIEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)Cc3cccc(C#N)c3)cc2)C1 ZINC000500641845 909987108 /nfs/dbraw/zinc/98/71/08/909987108.db2.gz KBMDXLGLUGQNDZ-WOJBJXKFSA-N 1 0 404.558 4.378 20 30 HIEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000500862098 910136380 /nfs/dbraw/zinc/13/63/80/910136380.db2.gz LAHJADRSCVDCKA-GHTZIAJQSA-N 1 0 415.493 4.296 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)cc1 ZINC000500890414 910161215 /nfs/dbraw/zinc/16/12/15/910161215.db2.gz OWVUDJFDRCPOAC-HXUWFJFHSA-N 1 0 408.502 4.163 20 30 HIEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000501141105 910320451 /nfs/dbraw/zinc/32/04/51/910320451.db2.gz GVBMRMZVOVCDLF-OAQYLSRUSA-N 1 0 410.493 4.080 20 30 HIEDRO COC(=O)C[C@](C)([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Br)cc1 ZINC000513137913 921578571 /nfs/dbraw/zinc/57/85/71/921578571.db2.gz BVEXSIRSXHHVGB-FQEVSTJZSA-N 1 0 401.304 4.083 20 30 HIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC000501751786 910810558 /nfs/dbraw/zinc/81/05/58/910810558.db2.gz MBMBQDYCVQVYTF-HXUWFJFHSA-N 1 0 408.546 4.483 20 30 HIEDRO CCN(C(=O)CCc1c(C)nn(CCC#N)c1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000501959776 910945441 /nfs/dbraw/zinc/94/54/41/910945441.db2.gz IJUKSLHTMZXARV-OFNKIYASSA-N 1 0 421.589 4.030 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000502152945 911075630 /nfs/dbraw/zinc/07/56/30/911075630.db2.gz CWUFMUJTDNZVDL-REWPJTCUSA-N 1 0 409.578 4.072 20 30 HIEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC000502318011 911290745 /nfs/dbraw/zinc/29/07/45/911290745.db2.gz DUGMRFZQYDCSBF-CYFREDJKSA-N 1 0 400.526 4.192 20 30 HIEDRO N#CCCn1cc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)c(-c2ccccc2)n1 ZINC000502328587 911303906 /nfs/dbraw/zinc/30/39/06/911303906.db2.gz WHXKHGMZIXKJIF-NRFANRHFSA-N 1 0 414.557 4.376 20 30 HIEDRO CC[C@@H]1C[C@@]1([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)c1cccc(C)c1 ZINC000502494106 911496310 /nfs/dbraw/zinc/49/63/10/911496310.db2.gz JQEWTKUYWQKKMF-NLFFAJNJSA-N 1 0 422.573 4.175 20 30 HIEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000502900131 911891738 /nfs/dbraw/zinc/89/17/38/911891738.db2.gz XJWPDFKJKFHQCH-XMMPIXPASA-N 1 0 420.557 4.131 20 30 HIEDRO CCOc1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc(Cl)c1OC ZINC000506279598 914880506 /nfs/dbraw/zinc/88/05/06/914880506.db2.gz JTHXIOMJDKQDBE-UHFFFAOYSA-N 1 0 413.949 4.327 20 30 HIEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)COC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000506310653 914900201 /nfs/dbraw/zinc/90/02/01/914900201.db2.gz XVJGTPZAAWCQIH-XMMPIXPASA-N 1 0 422.475 4.435 20 30 HIEDRO C[C@H]([NH2+]C1(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCCC1)c1ccccc1 ZINC000506332997 914944796 /nfs/dbraw/zinc/94/47/96/914944796.db2.gz QUZOMCFILBFRKK-MBSDFSHPSA-N 1 0 413.562 4.028 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@H+](C[C@H]2CCOC2)C2CC2)cc1OCC ZINC000506541624 915185780 /nfs/dbraw/zinc/18/57/80/915185780.db2.gz QWGLTDULZOVBAK-OAHLLOKOSA-N 1 0 410.352 4.414 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCSCc2ccccc2C#N)C1 ZINC000506939639 915744381 /nfs/dbraw/zinc/74/43/81/915744381.db2.gz JOAVPJCOBRTKDH-UXHICEINSA-N 1 0 414.619 4.087 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3C)C2)c1C#N ZINC000507180537 915927431 /nfs/dbraw/zinc/92/74/31/915927431.db2.gz MDBAOUNDAQGBKS-FQEVSTJZSA-N 1 0 416.525 4.354 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000507221240 915974117 /nfs/dbraw/zinc/97/41/17/915974117.db2.gz HFXOXJZMISPYHU-UONOGXRCSA-N 1 0 407.543 4.443 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@H]1OCCc2ccccc21 ZINC000507242719 916002790 /nfs/dbraw/zinc/00/27/90/916002790.db2.gz NKERQUHGYZRANH-OAQYLSRUSA-N 1 0 423.582 4.463 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)C[C@@H]1OCCc2ccccc21 ZINC000507242718 916004148 /nfs/dbraw/zinc/00/41/48/916004148.db2.gz NKERQUHGYZRANH-NRFANRHFSA-N 1 0 423.582 4.463 20 30 HIEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(Cl)c1 ZINC000507443407 916212239 /nfs/dbraw/zinc/21/22/39/916212239.db2.gz QXONWFPPIFRWCA-IERDGZPVSA-N 1 0 424.932 4.022 20 30 HIEDRO Cc1ccc([C@H](CN2CCOCC2)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000507634190 916393387 /nfs/dbraw/zinc/39/33/87/916393387.db2.gz FESOQXGYRJMTRC-JNLGVIEDSA-N 1 0 403.570 4.362 20 30 HIEDRO C[C@@H]1CN(c2ccc(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)cn2)C[C@H](C)O1 ZINC000507661848 916424785 /nfs/dbraw/zinc/42/47/85/916424785.db2.gz XDZULDUOKOJXQH-QSSFBDHNSA-N 1 0 404.558 4.189 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cnn(-c4ccc(Cl)cc4)c3)CC2)nc1 ZINC000507728169 916523610 /nfs/dbraw/zinc/52/36/10/916523610.db2.gz WJRSKGULASSTDB-UHFFFAOYSA-N 1 0 407.905 4.272 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nc(C(F)(F)F)cs1 ZINC000507815458 916611300 /nfs/dbraw/zinc/61/13/00/916611300.db2.gz QWQVHAZQWFGTIJ-UHFFFAOYSA-N 1 0 417.526 4.260 20 30 HIEDRO COc1cc(Br)c(C[NH2+]CCSCc2ccccc2C#N)cc1O ZINC000508337792 917141043 /nfs/dbraw/zinc/14/10/43/917141043.db2.gz HJFHOHCCBVMFDC-UHFFFAOYSA-N 1 0 407.333 4.058 20 30 HIEDRO C=CCn1c(-c2ccccc2Br)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508480865 917265405 /nfs/dbraw/zinc/26/54/05/917265405.db2.gz LAHJQTNFCFJJEV-MRXNPFEDSA-N 1 0 418.383 4.062 20 30 HIEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000508506797 917291403 /nfs/dbraw/zinc/29/14/03/917291403.db2.gz GLQGNWDAGRIWLB-UHFFFAOYSA-N 1 0 408.594 4.173 20 30 HIEDRO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508512679 917297791 /nfs/dbraw/zinc/29/77/91/917297791.db2.gz ZHCUYVLSMPTDPS-UHFFFAOYSA-N 1 0 403.933 4.236 20 30 HIEDRO C[S@@](=O)C[C@@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1 ZINC000508652594 917417371 /nfs/dbraw/zinc/41/73/71/917417371.db2.gz ZZFQEVJJRRUAFV-FUFSCUOVSA-N 1 0 404.535 4.347 20 30 HIEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508699739 917460515 /nfs/dbraw/zinc/46/05/15/917460515.db2.gz QPSPDKFGJCMUMD-UHFFFAOYSA-N 1 0 416.573 4.300 20 30 HIEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508828516 917582445 /nfs/dbraw/zinc/58/24/45/917582445.db2.gz VGJBBAIEJFGGHR-UHFFFAOYSA-N 1 0 415.969 4.105 20 30 HIEDRO C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508883777 917638513 /nfs/dbraw/zinc/63/85/13/917638513.db2.gz CPIMUUHQEVPNSV-YADHBBJMSA-N 1 0 423.605 4.176 20 30 HIEDRO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508895017 917651484 /nfs/dbraw/zinc/65/14/84/917651484.db2.gz MTCJCSBTPRJIMC-RBUKOAKNSA-N 1 0 424.549 4.130 20 30 HIEDRO C=CCn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)CC[NH+](C(C)C)C(C)C ZINC000508929120 917688779 /nfs/dbraw/zinc/68/87/79/917688779.db2.gz FTRGFVUTXVQUOP-FCHUYYIVSA-N 1 0 411.594 4.264 20 30 HIEDRO C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508953574 917709986 /nfs/dbraw/zinc/70/99/86/917709986.db2.gz VBYPJPYYFORPEW-NRFANRHFSA-N 1 0 403.574 4.376 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000508965146 917721849 /nfs/dbraw/zinc/72/18/49/917721849.db2.gz MKXVICPWJYJQHQ-UHFFFAOYSA-N 1 0 414.918 4.132 20 30 HIEDRO C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000508988343 917742334 /nfs/dbraw/zinc/74/23/34/917742334.db2.gz TVPBZUYKXRDPDN-QHCPKHFHSA-N 1 0 401.558 4.273 20 30 HIEDRO Cc1nc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)sc1SCC#N ZINC000509077341 917822776 /nfs/dbraw/zinc/82/27/76/917822776.db2.gz JPMAOAFLJJDANS-HNNXBMFYSA-N 1 0 422.526 4.163 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCc3c(Br)cccc3[C@@H]2C)CC1 ZINC000509207984 917909646 /nfs/dbraw/zinc/90/96/46/917909646.db2.gz CQNLMUWUDZXCIE-HNNXBMFYSA-N 1 0 406.368 4.118 20 30 HIEDRO N#CCCCOc1cccc(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000509372079 918037309 /nfs/dbraw/zinc/03/73/09/918037309.db2.gz LUQLZJYJXXFVPM-SFHVURJKSA-N 1 0 412.921 4.268 20 30 HIEDRO C[C@@H](CNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C[NH+]1CCCC1 ZINC000509911544 918512409 /nfs/dbraw/zinc/51/24/09/918512409.db2.gz MSNKMYLBKBTJNL-IBGZPJMESA-N 1 0 406.530 4.185 20 30 HIEDRO C[C@]1(c2ccccc2)CCC[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 ZINC000510074625 918642767 /nfs/dbraw/zinc/64/27/67/918642767.db2.gz RGHYXAIOISLPIC-VWLOTQADSA-N 1 0 413.525 4.126 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)C1CCN(Cc2ccccc2)CC1 ZINC000510242124 918780539 /nfs/dbraw/zinc/78/05/39/918780539.db2.gz YCBLYVARUARLIA-UHFFFAOYSA-N 1 0 422.598 4.033 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CC[C@H](n3ncc4ccccc43)C1)CCCC2 ZINC000510418780 918886121 /nfs/dbraw/zinc/88/61/21/918886121.db2.gz ZLQSKKDJFRCINJ-KRWDZBQOSA-N 1 0 419.554 4.124 20 30 HIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000510521037 918966113 /nfs/dbraw/zinc/96/61/13/918966113.db2.gz BRXJBUGJLCCBQV-OALUTQOASA-N 1 0 422.529 4.280 20 30 HIEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[NH+](C)C ZINC000510533951 918978442 /nfs/dbraw/zinc/97/84/42/918978442.db2.gz AYOFCJVLHRQTHF-KOSHJBKYSA-N 1 0 417.509 4.460 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccccc1N1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000511025689 919598407 /nfs/dbraw/zinc/59/84/07/919598407.db2.gz FIAMKKDXUWHHDA-ZRCGQRJVSA-N 1 0 414.594 4.120 20 30 HIEDRO C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511282650 919877141 /nfs/dbraw/zinc/87/71/41/919877141.db2.gz AVHIYSHMFNEWSN-PKOBYXMFSA-N 1 0 407.514 4.113 20 30 HIEDRO C[C@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511423488 920037466 /nfs/dbraw/zinc/03/74/66/920037466.db2.gz NHNPLRSASPWGHV-JFXNKROBSA-N 1 0 424.589 4.200 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@](F)(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000511441925 920049707 /nfs/dbraw/zinc/04/97/07/920049707.db2.gz VYUKKDZBXSXLEZ-HXUWFJFHSA-N 1 0 413.459 4.326 20 30 HIEDRO C[C@](C#N)(CCc1ccccc1)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000511710617 920375313 /nfs/dbraw/zinc/37/53/13/920375313.db2.gz UROKOUMQAJXVDZ-FYYLOGMGSA-N 1 0 411.496 4.175 20 30 HIEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1N1CC[NH+](CCc2cccs2)CC1 ZINC000511736199 920406015 /nfs/dbraw/zinc/40/60/15/920406015.db2.gz VEUDSPNUBSNFML-UHFFFAOYSA-N 1 0 414.481 4.134 20 30 HIEDRO CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000511750203 920428190 /nfs/dbraw/zinc/42/81/90/920428190.db2.gz AWLQUVYBWYHDPO-HSZRJFAPSA-N 1 0 414.509 4.244 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)c1C ZINC000511797257 920491059 /nfs/dbraw/zinc/49/10/59/920491059.db2.gz NDCRDMLUFNZOAU-GIFXNVAJSA-N 1 0 417.553 4.055 20 30 HIEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000511807725 920503319 /nfs/dbraw/zinc/50/33/19/920503319.db2.gz FCINUOKXZBHRDU-WOJBJXKFSA-N 1 0 422.472 4.277 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](CCO)c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000512216981 920965324 /nfs/dbraw/zinc/96/53/24/920965324.db2.gz DCEJXOMDBSOESN-PMACEKPBSA-N 1 0 418.324 4.074 20 30 HIEDRO Cn1cc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000512245589 921003094 /nfs/dbraw/zinc/00/30/94/921003094.db2.gz QPFIRSUZCAIXMR-AREMUKBSSA-N 1 0 411.553 4.057 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000512347322 921092786 /nfs/dbraw/zinc/09/27/86/921092786.db2.gz OHZSPYRXGAOIMH-GCJKJVERSA-N 1 0 423.582 4.391 20 30 HIEDRO COC(=O)c1ccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cc1OC ZINC000513533869 921875605 /nfs/dbraw/zinc/87/56/05/921875605.db2.gz UGHXHVXQCCRTPK-UHFFFAOYSA-N 1 0 416.477 4.222 20 30 HIEDRO Cc1nc(-c2ccc([C@@H](C)[NH2+]CCS(=O)(=O)c3cccc(C#N)c3)cc2)cs1 ZINC000513788319 922114636 /nfs/dbraw/zinc/11/46/36/922114636.db2.gz OYPOJHZVTKWIBP-OAHLLOKOSA-N 1 0 411.552 4.115 20 30 HIEDRO CC(C)[NH+]1CCC(NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000514192859 922532379 /nfs/dbraw/zinc/53/23/79/922532379.db2.gz LPBPKWMVEJPUSM-UHFFFAOYSA-N 1 0 408.521 4.282 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000514592975 922720052 /nfs/dbraw/zinc/72/00/52/922720052.db2.gz NWRWEQIVUKKIKD-MGPUTAFESA-N 1 0 417.600 4.288 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000514706311 922768802 /nfs/dbraw/zinc/76/88/02/922768802.db2.gz HLFKQZQXFBZURS-WFASDCNBSA-N 1 0 419.157 4.291 20 30 HIEDRO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000514850680 922824262 /nfs/dbraw/zinc/82/42/62/922824262.db2.gz BWZPJINDRGCZJQ-KOSHJBKYSA-N 1 0 414.553 4.486 20 30 HIEDRO C[C@]12CCC[N@@H+]1C[C@H](c1noc(-c3ccc(OCc4ccccc4C#N)cc3)n1)OC2 ZINC000514928406 922846289 /nfs/dbraw/zinc/84/62/89/922846289.db2.gz UNUVQJCMTAUVOX-ZJSXRUAMSA-N 1 0 416.481 4.113 20 30 HIEDRO COc1ccccc1[C@H](CNC(=O)Nc1ccc(C(C)(C)C#N)cc1)[NH+]1CCCC1 ZINC000515118339 922930594 /nfs/dbraw/zinc/93/05/94/922930594.db2.gz ZMABDQQDJICDLG-NRFANRHFSA-N 1 0 406.530 4.455 20 30 HIEDRO N#Cc1ccc(Cc2cnc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)s2)cc1 ZINC000515217572 922998886 /nfs/dbraw/zinc/99/88/86/922998886.db2.gz PSEGCYOIHDNEBV-FQEVSTJZSA-N 1 0 417.538 4.002 20 30 HIEDRO C[N@H+](CCCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)C1CCCCC1 ZINC000515217977 922999267 /nfs/dbraw/zinc/99/92/67/922999267.db2.gz ZDYMSCYUNDCVIP-UHFFFAOYSA-N 1 0 411.575 4.382 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)CC(C)C ZINC000515392873 923077881 /nfs/dbraw/zinc/07/78/81/923077881.db2.gz CJXYYYHRLMPTKC-LJQANCHMSA-N 1 0 418.557 4.007 20 30 HIEDRO CC1CC[NH+]([C@@H](CNC(=O)CSCc2ccc(C#N)cc2)c2ccccc2)CC1 ZINC000515981517 923476829 /nfs/dbraw/zinc/47/68/29/923476829.db2.gz XUWJJVNBLXJDTB-QHCPKHFHSA-N 1 0 407.583 4.381 20 30 HIEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](c1cncc(Br)c1)C1CC1 ZINC000516670096 923836574 /nfs/dbraw/zinc/83/65/74/923836574.db2.gz OSSXAXOYTFSJAS-GOSISDBHSA-N 1 0 419.710 4.049 20 30 HIEDRO C[NH+](C)CCOc1ccccc1C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 ZINC000517090325 923991728 /nfs/dbraw/zinc/99/17/28/923991728.db2.gz LOHYYMZDJQMPQI-UHFFFAOYSA-N 1 0 415.493 4.330 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(Oc3cc(C)ccc3C)nc2)CC1 ZINC000517323865 924101860 /nfs/dbraw/zinc/10/18/60/924101860.db2.gz GASCJQBEJCQPTP-UHFFFAOYSA-N 1 0 408.546 4.330 20 30 HIEDRO CN(Cc1cccc(C#N)c1)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000517533156 924250950 /nfs/dbraw/zinc/25/09/50/924250950.db2.gz TUXYHVPDALCSEU-UHFFFAOYSA-N 1 0 419.529 4.037 20 30 HIEDRO Cc1cccc(OC(F)F)c1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000517599376 926707763 /nfs/dbraw/zinc/70/77/63/926707763.db2.gz CCIVAABKLDWVTR-UHFFFAOYSA-N 1 0 414.456 4.208 20 30 HIEDRO CC1(C)CN(C(=O)CCCCOc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000517688917 926793613 /nfs/dbraw/zinc/79/36/13/926793613.db2.gz LFNGBPCEJJUIJQ-UHFFFAOYSA-N 1 0 405.542 4.230 20 30 HIEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000517714457 926809816 /nfs/dbraw/zinc/80/98/16/926809816.db2.gz NLFMWUUEJIPZSO-GHTZIAJQSA-N 1 0 422.573 4.090 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(-c3ccco3)nc3onc(CCC)c32)CC1 ZINC000517982109 926928423 /nfs/dbraw/zinc/92/84/23/926928423.db2.gz BYMABNMEDOYZHP-UHFFFAOYSA-N 1 0 408.502 4.206 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)CC1 ZINC000517984085 926930006 /nfs/dbraw/zinc/93/00/06/926930006.db2.gz ZBYIBFKCFQZXNO-ZDUSSCGKSA-N 1 0 415.759 4.027 20 30 HIEDRO C=CCn1c(-c2ccccn2)nnc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000518011950 926951733 /nfs/dbraw/zinc/95/17/33/926951733.db2.gz SPDNKLPEYPFAMP-RUZDIDTESA-N 1 0 414.557 4.019 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000518097237 927019400 /nfs/dbraw/zinc/01/94/00/927019400.db2.gz AMJXLFPUEUBBSX-HXUWFJFHSA-N 1 0 420.513 4.451 20 30 HIEDRO C=CCn1c(-c2ccccn2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000518152688 927049025 /nfs/dbraw/zinc/04/90/25/927049025.db2.gz UDLKYTITCFWUBI-TZIWHRDSSA-N 1 0 402.546 4.015 20 30 HIEDRO C=CCN(C(=O)CCC[NH+]1CCN(c2ccccc2)CC1)c1nc2c(s1)CCCC2 ZINC000518372838 927227139 /nfs/dbraw/zinc/22/71/39/927227139.db2.gz DWHZEUNOGUEGOW-UHFFFAOYSA-N 1 0 424.614 4.143 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCc2cc(F)cc3c2OCOC3)c1 ZINC000518778170 927488340 /nfs/dbraw/zinc/48/83/40/927488340.db2.gz CRZPMFZKYSNGGF-UHFFFAOYSA-N 1 0 418.468 4.475 20 30 HIEDRO N#C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccc(C(F)(F)F)c1 ZINC000518849241 927552952 /nfs/dbraw/zinc/55/29/52/927552952.db2.gz VNXRGEGSXQDIBM-XLIONFOSSA-N 1 0 419.422 4.438 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(OCc3ccccc3Cl)c(OC)c2)CC1 ZINC000519270606 927857239 /nfs/dbraw/zinc/85/72/39/927857239.db2.gz XERVYUJPBPKTDA-UHFFFAOYSA-N 1 0 414.933 4.308 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C2(c3ccc(Br)cc3)CCCC2)CC1 ZINC000519271049 927857490 /nfs/dbraw/zinc/85/74/90/927857490.db2.gz KLXSBHLFLLGPRD-UHFFFAOYSA-N 1 0 405.380 4.418 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)CC1 ZINC000519270240 927857519 /nfs/dbraw/zinc/85/75/19/927857519.db2.gz BGTPMBMSZIJEHE-UHFFFAOYSA-N 1 0 420.582 4.397 20 30 HIEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000519531278 928009341 /nfs/dbraw/zinc/00/93/41/928009341.db2.gz NKKDWEYTTBKQFR-SFHVURJKSA-N 1 0 416.997 4.008 20 30 HIEDRO C=CCc1cc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cc(OC)c1O ZINC000519721547 928056388 /nfs/dbraw/zinc/05/63/88/928056388.db2.gz HUORKQIUZSAQFE-INIZCTEOSA-N 1 0 409.452 4.261 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cccc(Cl)c3Cl)CC2)cc1 ZINC000520158328 928350052 /nfs/dbraw/zinc/35/00/52/928350052.db2.gz MVUWSMBXUOQKBW-UHFFFAOYSA-N 1 0 417.340 4.283 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000520383040 928536667 /nfs/dbraw/zinc/53/66/67/928536667.db2.gz ZAETYOXKVGNFLD-VWLOTQADSA-N 1 0 418.541 4.475 20 30 HIEDRO C=CCOc1cccc(C[NH2+]CCC(=O)N(C)Cc2ccccc2Br)c1 ZINC000520391138 928542870 /nfs/dbraw/zinc/54/28/70/928542870.db2.gz PIMQSTPLWPKQAC-UHFFFAOYSA-N 1 0 417.347 4.152 20 30 HIEDRO COc1cccc([C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C(C)C)[NH+]2CCCC2)c1 ZINC000520475626 928588617 /nfs/dbraw/zinc/58/86/17/928588617.db2.gz XWKRFEFPNRNWEF-DEOSSOPVSA-N 1 0 420.557 4.324 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccccc2COCc2ccccc2)CC1 ZINC000520691869 928738887 /nfs/dbraw/zinc/73/88/87/928738887.db2.gz DYIVBFLAXNXWAI-UHFFFAOYSA-N 1 0 407.558 4.243 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(OCc3ccccn3)c2)CC1 ZINC000520691671 928739066 /nfs/dbraw/zinc/73/90/66/928739066.db2.gz ACIJPNBBPGMERE-LJQANCHMSA-N 1 0 408.546 4.061 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc(Cl)c4c(c3)OCCCO4)C2)c(F)c1 ZINC000520992605 928910190 /nfs/dbraw/zinc/91/01/90/928910190.db2.gz FWLWTBGVCRZDOI-KRWDZBQOSA-N 1 0 415.896 4.271 20 30 HIEDRO C=CCOc1ccccc1C[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000521378386 929195720 /nfs/dbraw/zinc/19/57/20/929195720.db2.gz ISHWDTLBFLRQRL-UHFFFAOYSA-N 1 0 417.347 4.152 20 30 HIEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000521783389 929443165 /nfs/dbraw/zinc/44/31/65/929443165.db2.gz QYOBXOKGAYDVLA-UHFFFAOYSA-N 1 0 404.558 4.174 20 30 HIEDRO N#Cc1ccc(Oc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)nc1 ZINC000521951571 929585779 /nfs/dbraw/zinc/58/57/79/929585779.db2.gz JGGCSIHYSUGBBP-UHFFFAOYSA-N 1 0 412.493 4.140 20 30 HIEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000521960339 929598481 /nfs/dbraw/zinc/59/84/81/929598481.db2.gz QUGVURKXYBVFDR-LJQANCHMSA-N 1 0 420.557 4.276 20 30 HIEDRO C[C@@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)[N@H+](C)Cc1ccccc1 ZINC000524488424 929634909 /nfs/dbraw/zinc/63/49/09/929634909.db2.gz RTVMBACDKLSOAF-FQEVSTJZSA-N 1 0 413.521 4.388 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c1 ZINC000524757547 929819817 /nfs/dbraw/zinc/81/98/17/929819817.db2.gz BVEZUGVOGJSMOI-XMMPIXPASA-N 1 0 404.558 4.453 20 30 HIEDRO N#Cc1cccc(C[NH+]2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)c1 ZINC000525120510 930048492 /nfs/dbraw/zinc/04/84/92/930048492.db2.gz DAUREBSLJLUQNU-UHFFFAOYSA-N 1 0 419.422 4.366 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000525124134 930050086 /nfs/dbraw/zinc/05/00/86/930050086.db2.gz YRIWZFQJKXFOAX-URVUXULASA-N 1 0 405.542 4.456 20 30 HIEDRO N#C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000530638756 930782802 /nfs/dbraw/zinc/78/28/02/930782802.db2.gz ABXWYEFCLJOWHX-UYAOXDASSA-N 1 0 417.431 4.178 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+][C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000530967361 930871180 /nfs/dbraw/zinc/87/11/80/930871180.db2.gz JXSMYXSJRLHSIH-GOSISDBHSA-N 1 0 417.431 4.283 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(F)F)c1ccc(Cl)cc1 ZINC000531075334 930909183 /nfs/dbraw/zinc/90/91/83/930909183.db2.gz AEEORFOFYNFIOU-MRXNPFEDSA-N 1 0 408.836 4.237 20 30 HIEDRO N#C[C@@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000531115011 930926480 /nfs/dbraw/zinc/92/64/80/930926480.db2.gz GEEABUBAEVDEJC-LJQANCHMSA-N 1 0 412.371 4.140 20 30 HIEDRO C=CCN1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000532230963 931364572 /nfs/dbraw/zinc/36/45/72/931364572.db2.gz POVJKBFHWQADRK-ZDUSSCGKSA-N 1 0 403.876 4.316 20 30 HIEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)c1 ZINC000532505572 931465988 /nfs/dbraw/zinc/46/59/88/931465988.db2.gz LQPBUSVFGCTAQI-QUCCMNQESA-N 1 0 408.521 4.290 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1Cl ZINC000532519513 931472301 /nfs/dbraw/zinc/47/23/01/931472301.db2.gz AKUFIXACTNDJBA-IBGZPJMESA-N 1 0 411.889 4.149 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2CCc3ccccc3CC2)c1C#N ZINC000532580356 931538599 /nfs/dbraw/zinc/53/85/99/931538599.db2.gz GWBGINUQSVISAS-UHFFFAOYSA-N 1 0 416.525 4.047 20 30 HIEDRO N#Cc1ccc(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)c(F)c1 ZINC000532588836 931545848 /nfs/dbraw/zinc/54/58/48/931545848.db2.gz UEBVNEIUPVUTEL-UHFFFAOYSA-N 1 0 403.295 4.298 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000532768745 931627807 /nfs/dbraw/zinc/62/78/07/931627807.db2.gz DRGSNNBCADFJIT-OALUTQOASA-N 1 0 411.571 4.002 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000532930430 931702053 /nfs/dbraw/zinc/70/20/53/931702053.db2.gz DGMHFJVDHQTXQZ-QGZVFWFLSA-N 1 0 416.635 4.269 20 30 HIEDRO COc1cc(C[N@@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)ccc1OCc1cccc(C#N)c1 ZINC000532959623 931714644 /nfs/dbraw/zinc/71/46/44/931714644.db2.gz STQNZOVGEHEWIU-RXVVDRJESA-N 1 0 420.431 4.033 20 30 HIEDRO CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@H]1C ZINC000532988381 931727637 /nfs/dbraw/zinc/72/76/37/931727637.db2.gz PHGSPQIOQLCBJZ-WMZHIEFXSA-N 1 0 407.558 4.450 20 30 HIEDRO COc1cc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000533243200 931817198 /nfs/dbraw/zinc/81/71/98/931817198.db2.gz JVIBYTOONGHEJM-JOCHJYFZSA-N 1 0 416.525 4.259 20 30 HIEDRO Cc1oc(NC(=O)C[N@H+](C)CCCCCc2cc(-c3ccccc3)n[nH]2)c(C#N)c1C ZINC000533280144 931826476 /nfs/dbraw/zinc/82/64/76/931826476.db2.gz RAULWKCXNUCAAR-UHFFFAOYSA-N 1 0 419.529 4.442 20 30 HIEDRO CC1CCC(OC2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)CC1 ZINC000533280429 931826690 /nfs/dbraw/zinc/82/66/90/931826690.db2.gz YUABYPHCDXKPCK-UHFFFAOYSA-N 1 0 415.603 4.497 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(c3nc4ccccc4[nH]3)CC1)CCC2 ZINC000533387953 931855756 /nfs/dbraw/zinc/85/57/56/931855756.db2.gz SZODOEYWNHDYPW-UHFFFAOYSA-N 1 0 419.554 4.193 20 30 HIEDRO CC1CC[NH+](C[C@H]2CCCN(CC(=O)c3cn(CCC#N)c4ccccc34)C2)CC1 ZINC000533397417 931857939 /nfs/dbraw/zinc/85/79/39/931857939.db2.gz MRVVWGFIYTVFND-OAQYLSRUSA-N 1 0 406.574 4.182 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533512505 931890041 /nfs/dbraw/zinc/89/00/41/931890041.db2.gz XTTHTRFITQSBTH-YSTOQKLRSA-N 1 0 414.619 4.214 20 30 HIEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000533696991 931974863 /nfs/dbraw/zinc/97/48/63/931974863.db2.gz HXIFQKRSUFGAQD-QFIPXVFZSA-N 1 0 403.526 4.463 20 30 HIEDRO C[N@@H+]1CC[C@H](NC(=O)c2ccc(OCc3ccccc3C#N)cc2)[C@H]1c1ccccc1 ZINC000534018868 932201410 /nfs/dbraw/zinc/20/14/10/932201410.db2.gz IXKWDXZKXJEJDX-LOSJGSFVSA-N 1 0 411.505 4.312 20 30 HIEDRO C[N@@H+]1CC[C@H](CNC(=O)C2(c3cccc(C#N)c3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534245226 932362688 /nfs/dbraw/zinc/36/26/88/932362688.db2.gz BUIBZOIGOMTEGT-UTKZUKDTSA-N 1 0 411.908 4.192 20 30 HIEDRO C=CCN(CC=C)C(=O)[C@@H](C)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000534691674 932662724 /nfs/dbraw/zinc/66/27/24/932662724.db2.gz PTYDLIPFNUSEPY-GOSISDBHSA-N 1 0 423.523 4.191 20 30 HIEDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(CC#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535676130 933325277 /nfs/dbraw/zinc/32/52/77/933325277.db2.gz OGNPASJNDUZZCH-UZLBHIALSA-N 1 0 400.885 4.360 20 30 HIEDRO C[C@H](NC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000535684319 933339051 /nfs/dbraw/zinc/33/90/51/933339051.db2.gz UKIXPQJLDXQBIL-HLLQZAQXSA-N 1 0 414.912 4.404 20 30 HIEDRO CC[C@](C)(COc1ncccc1Cl)[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000536029730 933579464 /nfs/dbraw/zinc/57/94/64/933579464.db2.gz RRXXUPWQAXTQHK-LJQANCHMSA-N 1 0 407.301 4.036 20 30 HIEDRO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000537288701 933699442 /nfs/dbraw/zinc/69/94/42/933699442.db2.gz PFPPRHZMHZFBRB-XMMPIXPASA-N 1 0 406.549 4.229 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc(C#N)c1 ZINC000537478457 933790471 /nfs/dbraw/zinc/79/04/71/933790471.db2.gz TVXUJTDHJTWRKH-MGPUTAFESA-N 1 0 401.432 4.419 20 30 HIEDRO C[N@H+](Cc1cccc(OCCCC#N)c1)[C@@H](CO)c1cccc(Br)c1 ZINC000537621482 938336514 /nfs/dbraw/zinc/33/65/14/938336514.db2.gz SNHQVRHCDBCEOT-FQEVSTJZSA-N 1 0 403.320 4.297 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)cc1OCC ZINC000537687198 938354420 /nfs/dbraw/zinc/35/44/20/938354420.db2.gz DEUXFAJXNJUVDQ-WMZOPIPTSA-N 1 0 410.352 4.414 20 30 HIEDRO C=CCOc1ccc(C[N@H+]2CCCN(Cc3csc([C@H](C)OC)n3)CC2)cc1 ZINC000537711238 938361557 /nfs/dbraw/zinc/36/15/57/938361557.db2.gz XEYKTGAXSOBQMZ-SFHVURJKSA-N 1 0 401.576 4.123 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cc1 ZINC000538128169 938513394 /nfs/dbraw/zinc/51/33/94/938513394.db2.gz GRZNDNWZENYXAB-QGZVFWFLSA-N 1 0 402.498 4.264 20 30 HIEDRO COc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)cc1 ZINC000538128167 938513465 /nfs/dbraw/zinc/51/34/65/938513465.db2.gz GRZNDNWZENYXAB-KRWDZBQOSA-N 1 0 402.498 4.264 20 30 HIEDRO CC[C@@H]([NH2+]CC#Cc1ccccc1Cl)c1ccccc1OCC(=O)N1CCCC1 ZINC000538149833 938522083 /nfs/dbraw/zinc/52/20/83/938522083.db2.gz GEKZYIYXGSDVBE-JOCHJYFZSA-N 1 0 410.945 4.434 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](CC)c1ccc2c(c1)OCCO2 ZINC000538176517 938537950 /nfs/dbraw/zinc/53/79/50/938537950.db2.gz TWESIHHFWBYJPA-VQIMIIECSA-N 1 0 400.544 4.163 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000538206403 938554678 /nfs/dbraw/zinc/55/46/78/938554678.db2.gz KDSVGVJFJPAJDI-LJQANCHMSA-N 1 0 420.513 4.309 20 30 HIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000538266928 938579055 /nfs/dbraw/zinc/57/90/55/938579055.db2.gz RRDUNQQAUPNAGY-LSDHHAIUSA-N 1 0 407.905 4.384 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000538277948 938582225 /nfs/dbraw/zinc/58/22/25/938582225.db2.gz WBTSQWMFHSMZAN-OALUTQOASA-N 1 0 408.521 4.412 20 30 HIEDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(C#N)cc1 ZINC000538395225 938609929 /nfs/dbraw/zinc/60/99/29/938609929.db2.gz HJKXXUIJCWXYOC-MRXNPFEDSA-N 1 0 409.486 4.349 20 30 HIEDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(C#N)cc1 ZINC000538395224 938610185 /nfs/dbraw/zinc/61/01/85/938610185.db2.gz HJKXXUIJCWXYOC-INIZCTEOSA-N 1 0 409.486 4.349 20 30 HIEDRO C[C@@H]([NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cccc(C#N)c1 ZINC000538395565 938610774 /nfs/dbraw/zinc/61/07/74/938610774.db2.gz PHRDJXKYSWITSH-IIBYNOLFSA-N 1 0 403.448 4.301 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1coc(-c2ccccc2Cl)n1 ZINC000538441175 938621955 /nfs/dbraw/zinc/62/19/55/938621955.db2.gz RWPVFAGZNVPZFC-UHFFFAOYSA-N 1 0 408.889 4.071 20 30 HIEDRO C=CC[N@@H+](Cc1ccc(OC)c(OC(F)F)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000538732247 938695565 /nfs/dbraw/zinc/69/55/65/938695565.db2.gz YDVSKBHXXYUIQS-OAHLLOKOSA-N 1 0 415.444 4.022 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H]([C@@H]3CCOC3)C2)cc1OCC ZINC000538751805 938702240 /nfs/dbraw/zinc/70/22/40/938702240.db2.gz OUGLWVFAUMJPLU-DLBZAZTESA-N 1 0 410.352 4.271 20 30 HIEDRO N#Cc1ccc(Nc2cccc(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)c2)cc1 ZINC000539031375 938774181 /nfs/dbraw/zinc/77/41/81/938774181.db2.gz MUGRUAHONDQIPW-UHFFFAOYSA-N 1 0 411.509 4.343 20 30 HIEDRO N#Cc1ccc(CNC(=O)C[NH+]2CCC(c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000539098880 938802675 /nfs/dbraw/zinc/80/26/75/938802675.db2.gz NHSKDPKUMFPQBI-UHFFFAOYSA-N 1 0 401.432 4.073 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)c1 ZINC000539259167 938828571 /nfs/dbraw/zinc/82/85/71/938828571.db2.gz ONRRMICPLQHUQM-RTWAWAEBSA-N 1 0 415.541 4.475 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccccc2-n2cccn2)c1C ZINC000539263559 938829580 /nfs/dbraw/zinc/82/95/80/938829580.db2.gz YMTLIAFJABEYNB-HXUWFJFHSA-N 1 0 401.514 4.087 20 30 HIEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1C#N ZINC000539279357 938832558 /nfs/dbraw/zinc/83/25/58/938832558.db2.gz NDZNZIGZFPUDKJ-MRXNPFEDSA-N 1 0 417.469 4.163 20 30 HIEDRO CCCC[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(OC)cc1 ZINC000539301982 938837066 /nfs/dbraw/zinc/83/70/66/938837066.db2.gz VLOCLWXNEARARG-QFIPXVFZSA-N 1 0 417.513 4.212 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000539327290 938842277 /nfs/dbraw/zinc/84/22/77/938842277.db2.gz VRSSGGQMCMDIBX-ZDUSSCGKSA-N 1 0 401.869 4.429 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cccn3)cc2)c1 ZINC000539339273 938844573 /nfs/dbraw/zinc/84/45/73/938844573.db2.gz PNFSKRQAPATFIC-NHCUHLMSSA-N 1 0 415.541 4.475 20 30 HIEDRO C[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000539497747 938868902 /nfs/dbraw/zinc/86/89/02/938868902.db2.gz UZZAIXYZSDYRIA-GOSISDBHSA-N 1 0 402.542 4.222 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3c[nH]nc3-c3c(F)cccc3F)C2)c(F)c1 ZINC000539505035 938870057 /nfs/dbraw/zinc/87/00/57/938870057.db2.gz DYXPJCWDPVABMV-INIZCTEOSA-N 1 0 411.431 4.124 20 30 HIEDRO N#CC1(c2ccc(C(=O)Nc3ccnn3[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC000539666810 938897299 /nfs/dbraw/zinc/89/72/99/938897299.db2.gz SGXHBXIZPZKUCS-JOCHJYFZSA-N 1 0 411.509 4.138 20 30 HIEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1cccc(-n2cccn2)c1 ZINC000540389532 939227412 /nfs/dbraw/zinc/22/74/12/939227412.db2.gz NDXQYPWAXZPNSK-KRWDZBQOSA-N 1 0 407.905 4.123 20 30 HIEDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cccc(C#N)c1 ZINC000540595042 939314531 /nfs/dbraw/zinc/31/45/31/939314531.db2.gz MPHMFRNPYZQQDW-INIZCTEOSA-N 1 0 409.486 4.349 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(C#N)cc1 ZINC000540778779 939369108 /nfs/dbraw/zinc/36/91/08/939369108.db2.gz HUORLAWUQKJBPG-QRWLVFNGSA-N 1 0 401.432 4.419 20 30 HIEDRO C[C@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541084845 939454265 /nfs/dbraw/zinc/45/42/65/939454265.db2.gz BOPBPYIRNYTPPY-HNNXBMFYSA-N 1 0 400.438 4.083 20 30 HIEDRO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541131990 939472259 /nfs/dbraw/zinc/47/22/59/939472259.db2.gz DBCOCCUUIIRYRA-KOSHJBKYSA-N 1 0 403.526 4.046 20 30 HIEDRO C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541159257 939480855 /nfs/dbraw/zinc/48/08/55/939480855.db2.gz WVQNRGZBASBRAB-GLYQVZKVSA-N 1 0 402.542 4.412 20 30 HIEDRO CCc1cnccc1[C@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 ZINC000541192982 939485017 /nfs/dbraw/zinc/48/50/17/939485017.db2.gz JSMVANMZEAUGJP-KRWDZBQOSA-N 1 0 401.514 4.213 20 30 HIEDRO CC(C)(CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000541442283 939516846 /nfs/dbraw/zinc/51/68/46/939516846.db2.gz OLMHPIPHCJIFIO-UHFFFAOYSA-N 1 0 402.542 4.069 20 30 HIEDRO COC(=O)COc1ccccc1[C@@H](C)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000541563867 939555962 /nfs/dbraw/zinc/55/59/62/939555962.db2.gz OARAUSWYDQHSHQ-QHGAOEGBSA-N 1 0 408.498 4.151 20 30 HIEDRO COc1ccccc1C[C@@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C(C)C ZINC000541634818 939578438 /nfs/dbraw/zinc/57/84/38/939578438.db2.gz WAKOTAAGLLQDOM-DNVCBOLYSA-N 1 0 411.571 4.301 20 30 HIEDRO CCN(C[C@H](C)C#N)C(=O)C[NH2+][C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000541659617 939591819 /nfs/dbraw/zinc/59/18/19/939591819.db2.gz JNSZQUUCIYJMJN-ZIAGYGMSSA-N 1 0 404.967 4.431 20 30 HIEDRO C=CCC[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000541967338 939664990 /nfs/dbraw/zinc/66/49/90/939664990.db2.gz UQLPGYMILWEDQG-DNQXCXABSA-N 1 0 407.558 4.150 20 30 HIEDRO C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542015551 939686433 /nfs/dbraw/zinc/68/64/33/939686433.db2.gz MYNAOSIKOWORLL-GOSISDBHSA-N 1 0 419.550 4.326 20 30 HIEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000542072062 939702684 /nfs/dbraw/zinc/70/26/84/939702684.db2.gz CNXKGJAAPRHRTO-UHFFFAOYSA-N 1 0 419.872 4.457 20 30 HIEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000542406121 939816075 /nfs/dbraw/zinc/81/60/75/939816075.db2.gz ZSCUTPNSMIHPTJ-FZWXVRBQSA-N 1 0 416.569 4.389 20 30 HIEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@H](C)c2cnn(C(C)C)c2)c1C#N ZINC000542574466 939845471 /nfs/dbraw/zinc/84/54/71/939845471.db2.gz NYKUSSLIZWQDMF-MRXNPFEDSA-N 1 0 422.508 4.172 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(OCC(F)(F)F)c(F)c3)CC2)cc1 ZINC000542703322 939855442 /nfs/dbraw/zinc/85/54/42/939855442.db2.gz OBEBZSXBUFPDOH-UHFFFAOYSA-N 1 0 421.438 4.346 20 30 HIEDRO C[C@@H](c1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1)N1CCOCC1 ZINC000542832505 939861898 /nfs/dbraw/zinc/86/18/98/939861898.db2.gz JIFVBHCLTNFTMH-FQEVSTJZSA-N 1 0 404.558 4.028 20 30 HIEDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 ZINC000542964157 939887194 /nfs/dbraw/zinc/88/71/94/939887194.db2.gz GZHUJSGZKDUUIC-MRXNPFEDSA-N 1 0 414.941 4.031 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000542966452 939887435 /nfs/dbraw/zinc/88/74/35/939887435.db2.gz CUFHGNTVOZCPCA-FYCBBRDGSA-N 1 0 415.584 4.108 20 30 HIEDRO C[C@@H](NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543016333 939895603 /nfs/dbraw/zinc/89/56/03/939895603.db2.gz IFRIZFGVDCZBKM-CTNGQTDRSA-N 1 0 402.542 4.414 20 30 HIEDRO CN(CCC[NH+](C)C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000543609553 940130009 /nfs/dbraw/zinc/13/00/09/940130009.db2.gz OLZDXXZRUTUVOW-UHFFFAOYSA-N 1 0 400.910 4.206 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000543713404 940168870 /nfs/dbraw/zinc/16/88/70/940168870.db2.gz KQAZBBARKWWHBL-UHFFFAOYSA-N 1 0 406.299 4.024 20 30 HIEDRO COc1cc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1Br ZINC000543760579 940177174 /nfs/dbraw/zinc/17/71/74/940177174.db2.gz RRGMFBVNUUGMSY-UHFFFAOYSA-N 1 0 400.320 4.406 20 30 HIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000544287491 940380232 /nfs/dbraw/zinc/38/02/32/940380232.db2.gz ZRXUKFXSIDZCRY-IBGZPJMESA-N 1 0 402.542 4.458 20 30 HIEDRO C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544425116 940424346 /nfs/dbraw/zinc/42/43/46/940424346.db2.gz OLBUTHPDGLFMLO-IAGOWNOFSA-N 1 0 414.619 4.070 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)C(C)(C)c2csc(-c3ccc(F)cc3C)n2)CC1 ZINC000563921351 945326335 /nfs/dbraw/zinc/32/63/35/945326335.db2.gz IADYRXQHWTZPPK-UHFFFAOYSA-N 1 0 401.551 4.302 20 30 HIEDRO N#Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1Cl ZINC000548610086 941114711 /nfs/dbraw/zinc/11/47/11/941114711.db2.gz NOXPNYFRBTXNAV-UHFFFAOYSA-N 1 0 410.905 4.278 20 30 HIEDRO CC(C)N1CC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@H]1c1ccc(F)c(F)c1 ZINC000548636822 941116872 /nfs/dbraw/zinc/11/68/72/941116872.db2.gz LGAYFJRDHRRORB-VQTJNVASSA-N 1 0 403.860 4.444 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000548936062 941130844 /nfs/dbraw/zinc/13/08/44/941130844.db2.gz JCSBCKSFFJNZEV-UONOGXRCSA-N 1 0 421.482 4.268 20 30 HIEDRO C=CCn1c(Cn2ccc3ccccc32)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000548956485 941133883 /nfs/dbraw/zinc/13/38/83/941133883.db2.gz DWGHCLPRGFGRJM-UHFFFAOYSA-N 1 0 406.578 4.024 20 30 HIEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CC2(c3ccc(Cl)cc3)CCCC2)c1 ZINC000549110981 941160805 /nfs/dbraw/zinc/16/08/05/941160805.db2.gz KDZSINMRQSLQJE-UHFFFAOYSA-N 1 0 402.947 4.087 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)N(C)Cc1ccc(Br)cc1 ZINC000549173333 941168414 /nfs/dbraw/zinc/16/84/14/941168414.db2.gz JWODTUWIHUUECR-GJZGRUSLSA-N 1 0 400.320 4.018 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000549176723 941168679 /nfs/dbraw/zinc/16/86/79/941168679.db2.gz JEWYDXGDDHVKOA-JOCHJYFZSA-N 1 0 420.557 4.025 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000549250549 941174167 /nfs/dbraw/zinc/17/41/67/941174167.db2.gz YNGRDKQBJCWQSX-AZUAARDMSA-N 1 0 413.541 4.198 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549250551 941174242 /nfs/dbraw/zinc/17/42/42/941174242.db2.gz YNGRDKQBJCWQSX-ICSRJNTNSA-N 1 0 413.541 4.198 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000549286057 941176915 /nfs/dbraw/zinc/17/69/15/941176915.db2.gz QQYMSWPDLNWTAH-UNMCSNQZSA-N 1 0 418.589 4.484 20 30 HIEDRO CC(C)C(=O)c1ccc([C@@H](C)C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000549290456 941177348 /nfs/dbraw/zinc/17/73/48/941177348.db2.gz QMTDVPGWBKUUKW-HXUWFJFHSA-N 1 0 417.553 4.303 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000549291858 941177503 /nfs/dbraw/zinc/17/75/03/941177503.db2.gz KFKXQBRVEOTVBB-GOSISDBHSA-N 1 0 415.969 4.248 20 30 HIEDRO Cc1nc(C(=O)N[C@H](c2ccc(Cl)cc2)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1C#N ZINC000549330256 941180571 /nfs/dbraw/zinc/18/05/71/941180571.db2.gz VWBIOVNMELZSNC-UXGKSEPASA-N 1 0 408.933 4.259 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000549637409 941202347 /nfs/dbraw/zinc/20/23/47/941202347.db2.gz NDPRVTNVVFPSMN-RTBURBONSA-N 1 0 415.557 4.301 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000549653808 941203074 /nfs/dbraw/zinc/20/30/74/941203074.db2.gz DHVVWJTWESGUDS-UHFFFAOYSA-N 1 0 406.578 4.341 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000549668201 941203745 /nfs/dbraw/zinc/20/37/45/941203745.db2.gz QAIJNTJPBJKHEF-GOTSBHOMSA-N 1 0 421.589 4.164 20 30 HIEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000549670181 941203865 /nfs/dbraw/zinc/20/38/65/941203865.db2.gz XBMRYWJJDBHELL-UHFFFAOYSA-N 1 0 408.594 4.255 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000549676128 941204119 /nfs/dbraw/zinc/20/41/19/941204119.db2.gz XCAYRSBBXPEJEO-UHFFFAOYSA-N 1 0 423.605 4.362 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)c1ncc(C#N)cc1C)c1ccc(C(F)(F)F)cc1 ZINC000549699973 941205058 /nfs/dbraw/zinc/20/50/58/941205058.db2.gz QVMNQQHTOKMDTB-SFHVURJKSA-N 1 0 404.436 4.093 20 30 HIEDRO CC[C@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)[N@H+](C)Cc1ccccc1 ZINC000549806947 941207960 /nfs/dbraw/zinc/20/79/60/941207960.db2.gz BIWDATMUAFTJLI-RTBURBONSA-N 1 0 400.320 4.041 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000550178892 941294400 /nfs/dbraw/zinc/29/44/00/941294400.db2.gz SGVXOIZXJHQKPD-UHFFFAOYSA-N 1 0 414.546 4.424 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)sc2c1CCC2 ZINC000550393511 941321653 /nfs/dbraw/zinc/32/16/53/941321653.db2.gz NVQALNZIDGEGPR-MRXNPFEDSA-N 1 0 415.946 4.244 20 30 HIEDRO Cc1cc(C#N)cnc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000550914947 941381873 /nfs/dbraw/zinc/38/18/73/941381873.db2.gz ZVSWBPBINNBMPH-YLJYHZDGSA-N 1 0 416.447 4.093 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cscc2C#N)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000551288911 941444030 /nfs/dbraw/zinc/44/40/30/941444030.db2.gz BWWOJHJYCGTZPB-KSSFIOAISA-N 1 0 407.461 4.451 20 30 HIEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CCOCC2)cc1 ZINC000551417354 941474927 /nfs/dbraw/zinc/47/49/27/941474927.db2.gz AWGXWBZKTSQCIX-NRFANRHFSA-N 1 0 417.431 4.273 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000551708285 941530728 /nfs/dbraw/zinc/53/07/28/941530728.db2.gz PORAMJQBTFJQSK-MRXNPFEDSA-N 1 0 418.584 4.048 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](O)C23CCCC3)cc1OCC ZINC000552086155 941582214 /nfs/dbraw/zinc/58/22/14/941582214.db2.gz ZIAOHSXICHNCIH-GOSISDBHSA-N 1 0 410.352 4.292 20 30 HIEDRO CC[C@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000552276725 941620789 /nfs/dbraw/zinc/62/07/89/941620789.db2.gz HWJMLUOMLGLCFV-VQTJNVASSA-N 1 0 417.431 4.299 20 30 HIEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1csc(Br)c1 ZINC000552836493 941782430 /nfs/dbraw/zinc/78/24/30/941782430.db2.gz FPJAFFAUQFORJS-UHFFFAOYSA-N 1 0 412.740 4.496 20 30 HIEDRO C[C@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)C[NH+]1CCCCC1 ZINC000552845228 941786904 /nfs/dbraw/zinc/78/69/04/941786904.db2.gz RCUGHZXSYAXNKD-GOSISDBHSA-N 1 0 416.997 4.056 20 30 HIEDRO N#Cc1cc(Cl)cc(Br)c1NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000553162523 941842964 /nfs/dbraw/zinc/84/29/64/941842964.db2.gz ZZWSNRIUPRIDPJ-QGZVFWFLSA-N 1 0 420.738 4.153 20 30 HIEDRO N#Cc1cnc2c(F)cc(F)cc2c1N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553335213 941869443 /nfs/dbraw/zinc/86/94/43/941869443.db2.gz UASXKGSTNUQTGM-DEOSSOPVSA-N 1 0 404.464 4.487 20 30 HIEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000553412734 941881327 /nfs/dbraw/zinc/88/13/27/941881327.db2.gz ABWRWBJXNJPGIU-FQEVSTJZSA-N 1 0 410.558 4.020 20 30 HIEDRO C[NH+](C)CC1(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CCCC1 ZINC000553460809 941888846 /nfs/dbraw/zinc/88/88/46/941888846.db2.gz XRHFNLKWLAJSLL-UHFFFAOYSA-N 1 0 416.997 4.056 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]([C@H](C)CO)C2CCCC2)c1C#N ZINC000553918137 941997720 /nfs/dbraw/zinc/99/77/20/941997720.db2.gz SWLRLWQIODEEGX-MRXNPFEDSA-N 1 0 400.567 4.046 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000554423390 942137212 /nfs/dbraw/zinc/13/72/12/942137212.db2.gz ZBFPEFIJUAZNQD-YOFSQIOKSA-N 1 0 420.513 4.448 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)CCCC(=O)OC(C)(C)C)sc2C1 ZINC000554889623 942309986 /nfs/dbraw/zinc/30/99/86/942309986.db2.gz XTROVZCIHFKYNK-OAHLLOKOSA-N 1 0 419.591 4.127 20 30 HIEDRO CCC[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C(=O)N1CCc2sccc2C1 ZINC000555092721 942382845 /nfs/dbraw/zinc/38/28/45/942382845.db2.gz RJGLKOHIOKUYEI-GOSISDBHSA-N 1 0 421.488 4.482 20 30 HIEDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3ccc(C#N)cc3OC(F)F)CCN2C2CC2)c1 ZINC000555131121 942395751 /nfs/dbraw/zinc/39/57/51/942395751.db2.gz ZIIXNGYSQRTNLP-RBBKRZOGSA-N 1 0 413.468 4.236 20 30 HIEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000555263408 942452648 /nfs/dbraw/zinc/45/26/48/942452648.db2.gz AULOAIBOXYYJGB-WZONZLPQSA-N 1 0 416.573 4.456 20 30 HIEDRO CSc1ccc([C@@H](C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)N(C)C)cc1 ZINC000555643315 942685775 /nfs/dbraw/zinc/68/57/75/942685775.db2.gz HSOSACHROPQSOG-XMMPIXPASA-N 1 0 408.615 4.137 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000556883948 942950293 /nfs/dbraw/zinc/95/02/93/942950293.db2.gz IKHUEKBKFXMZGL-WQTXXOFMSA-N 1 0 413.468 4.190 20 30 HIEDRO N#Cc1ncn(CC[NH2+][C@H](c2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc2)n1 ZINC000556925137 942968353 /nfs/dbraw/zinc/96/83/53/942968353.db2.gz ZZUZOUVSBZHEAG-SFHVURJKSA-N 1 0 405.811 4.201 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000556945142 942975903 /nfs/dbraw/zinc/97/59/03/942975903.db2.gz NMQIGYVASOVZIX-QZTJIDSGSA-N 1 0 414.516 4.278 20 30 HIEDRO COc1cccc([C@H]2[C@H](NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000556971225 942984091 /nfs/dbraw/zinc/98/40/91/942984091.db2.gz NAXJAFOGFGTYTA-PKTZIBPZSA-N 1 0 421.516 4.078 20 30 HIEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000556981413 942986838 /nfs/dbraw/zinc/98/68/38/942986838.db2.gz BGZNQYNIOVZMNN-JOCHJYFZSA-N 1 0 419.573 4.191 20 30 HIEDRO CN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)C(C)(C)C[NH+]1CCCCCC1 ZINC000556982578 942987593 /nfs/dbraw/zinc/98/75/93/942987593.db2.gz DJLDBRSVZDRLFW-UHFFFAOYSA-N 1 0 414.569 4.027 20 30 HIEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1Oc1ccccc1 ZINC000557502084 943172104 /nfs/dbraw/zinc/17/21/04/943172104.db2.gz RZTSUTFYVHPWOT-GOSISDBHSA-N 1 0 406.507 4.475 20 30 HIEDRO COc1cc(OC)c2ncc(C#N)c(NC3CC[NH+]([C@@H](C)c4ccncc4)CC3)c2c1 ZINC000557641985 943245615 /nfs/dbraw/zinc/24/56/15/943245615.db2.gz BBPNVVABOQSPEE-INIZCTEOSA-N 1 0 417.513 4.156 20 30 HIEDRO C[C@@H]1CN(C(C)(C)C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C[C@@H](C)O1 ZINC000557716465 943267559 /nfs/dbraw/zinc/26/75/59/943267559.db2.gz SVYJRRMPDFIQSF-WOJBJXKFSA-N 1 0 407.558 4.115 20 30 HIEDRO Cc1ccc(-c2noc([C@H](C)[NH2+]C3CCN(c4ccc(C#N)cc4)CC3)n2)cc1F ZINC000557765577 943284970 /nfs/dbraw/zinc/28/49/70/943284970.db2.gz AMNFVNITCMUWMJ-INIZCTEOSA-N 1 0 405.477 4.375 20 30 HIEDRO CC(C)(CCC#N)C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000558238429 943452287 /nfs/dbraw/zinc/45/22/87/943452287.db2.gz HGUOUXSMJFYXCL-FQEVSTJZSA-N 1 0 406.498 4.377 20 30 HIEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000558280418 943480348 /nfs/dbraw/zinc/48/03/48/943480348.db2.gz HMHCJTVXJWPWJW-UHFFFAOYSA-N 1 0 424.423 4.078 20 30 HIEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000558286265 943484003 /nfs/dbraw/zinc/48/40/03/943484003.db2.gz GKFUWDVVHDSERQ-NTKDMRAZSA-N 1 0 418.541 4.422 20 30 HIEDRO C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000559003934 943799565 /nfs/dbraw/zinc/79/95/65/943799565.db2.gz JCWOINIKXRDCAB-JTHBVZDNSA-N 1 0 405.590 4.207 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000559004126 943799911 /nfs/dbraw/zinc/79/99/11/943799911.db2.gz KVQLJBRLAQEHNA-OALUTQOASA-N 1 0 413.541 4.198 20 30 HIEDRO C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)c3cnc(C(F)(F)F)c(C#N)c3)cc2)C1 ZINC000559047758 943814874 /nfs/dbraw/zinc/81/48/74/943814874.db2.gz KQQMQSZBSZSFPD-OAHLLOKOSA-N 1 0 416.447 4.134 20 30 HIEDRO N#Cc1cc(F)cc(C2(C(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)CC2)c1 ZINC000560423836 944230231 /nfs/dbraw/zinc/23/02/31/944230231.db2.gz YVKTUFYQQRJZSZ-NRFANRHFSA-N 1 0 411.908 4.336 20 30 HIEDRO Cc1cc(NC2CCN(c3ccc(C#N)cc3)CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000560550979 944251160 /nfs/dbraw/zinc/25/11/60/944251160.db2.gz ZHDTUMQOMJUKHT-UHFFFAOYSA-N 1 0 417.601 4.478 20 30 HIEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C1 ZINC000561031851 944404707 /nfs/dbraw/zinc/40/47/07/944404707.db2.gz QTLSBGSBZLCMRF-LJQANCHMSA-N 1 0 420.586 4.095 20 30 HIEDRO N#CCc1ccc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000561076604 944430035 /nfs/dbraw/zinc/43/00/35/944430035.db2.gz ROMOWYBTOGESAT-SANMLTNESA-N 1 0 424.548 4.455 20 30 HIEDRO N#Cc1cccc(C(=O)N(Cc2ccncc2)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000561077469 944432367 /nfs/dbraw/zinc/43/23/67/944432367.db2.gz WOCKJKVOOYGHOH-RUZDIDTESA-N 1 0 410.521 4.260 20 30 HIEDRO C[C@@H](CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[NH+]1CCCCC1 ZINC000561250016 944527598 /nfs/dbraw/zinc/52/75/98/944527598.db2.gz JKIHGCXIPFYNAM-SFHVURJKSA-N 1 0 416.997 4.199 20 30 HIEDRO CSc1nc(C2CC2)cc(-c2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)c1C#N ZINC000561887958 944838726 /nfs/dbraw/zinc/83/87/26/944838726.db2.gz DQZMCAKYAQVHIP-UHFFFAOYSA-N 1 0 409.490 4.470 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000562046587 944909315 /nfs/dbraw/zinc/90/93/15/944909315.db2.gz JAXILJLLMLGKKJ-AQKFKSFVSA-N 1 0 422.598 4.251 20 30 HIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCN(Cc3cccc(C(F)(F)F)c3)C1=O)CC2 ZINC000564433089 945581080 /nfs/dbraw/zinc/58/10/80/945581080.db2.gz HINSOVCZFYLYBH-SFTDATJTSA-N 1 0 413.443 4.345 20 30 HIEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000564587937 945688487 /nfs/dbraw/zinc/68/84/87/945688487.db2.gz WACXHIAOGADYIU-UHFFFAOYSA-N 1 0 417.985 4.350 20 30 HIEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000564603273 945700444 /nfs/dbraw/zinc/70/04/44/945700444.db2.gz HUAFQMJMMPFSAH-QFIPXVFZSA-N 1 0 405.542 4.134 20 30 HIEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[N@@H+](C)C2CCC(F)(F)CC2)c1C#N ZINC000565061924 945765501 /nfs/dbraw/zinc/76/55/01/945765501.db2.gz PVZMCHHPGXXZKC-UHFFFAOYSA-N 1 0 400.473 4.414 20 30 HIEDRO C[C@H]1C[C@@H](N(C)C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000565612735 945854399 /nfs/dbraw/zinc/85/43/99/945854399.db2.gz NNBAZTLBUVDBAI-KXBFYZLASA-N 1 0 416.447 4.097 20 30 HIEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000565615921 945855146 /nfs/dbraw/zinc/85/51/46/945855146.db2.gz ZXOHDZGDWLVJQO-GAJHUEQPSA-N 1 0 411.571 4.317 20 30 HIEDRO Cc1cccc([C@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)N2CCOCC2)c1 ZINC000567403219 946325708 /nfs/dbraw/zinc/32/57/08/946325708.db2.gz BAXHTUVCAHKWDN-NRFANRHFSA-N 1 0 403.448 4.049 20 30 HIEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)cc2)ccn1 ZINC000567550166 946373317 /nfs/dbraw/zinc/37/33/17/946373317.db2.gz XDGKOJDJEPVCJQ-GOSISDBHSA-N 1 0 405.502 4.085 20 30 HIEDRO CC[C@@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1ccc(C#N)cc1 ZINC000568333704 946514251 /nfs/dbraw/zinc/51/42/51/946514251.db2.gz KWYDYCRCAAPJPX-OAQYLSRUSA-N 1 0 402.498 4.168 20 30 HIEDRO Cc1ccc([C@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[NH+](C)C)cc1 ZINC000568699894 946667583 /nfs/dbraw/zinc/66/75/83/946667583.db2.gz MNAQJFVGWZPHAO-QHCPKHFHSA-N 1 0 415.497 4.478 20 30 HIEDRO COc1ccc(C[C@H]2CCC[N@@H+]([C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)cc1 ZINC000568812551 946710708 /nfs/dbraw/zinc/71/07/08/946710708.db2.gz REQMPKALTXUEFK-IFMALSPDSA-N 1 0 405.542 4.285 20 30 HIEDRO N#Cc1ccc(N2CCC(C(=O)N(CC[NH+]3CCCC3)c3ccccc3)CC2)c(F)c1 ZINC000569150176 946824725 /nfs/dbraw/zinc/82/47/25/946824725.db2.gz KUPFYBWTZGXEIA-UHFFFAOYSA-N 1 0 420.532 4.043 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000569860322 947023368 /nfs/dbraw/zinc/02/33/68/947023368.db2.gz VAKXWMOOZUELQQ-MGPUTAFESA-N 1 0 417.600 4.430 20 30 HIEDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)COc1ccc(CC#N)cc1 ZINC000569968983 947056631 /nfs/dbraw/zinc/05/66/31/947056631.db2.gz PDTTUOWXFUKYOV-GGAORHGYSA-N 1 0 406.551 4.436 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCN(c4ccccc4C(F)(F)F)C3)CC2)cc1 ZINC000570553397 947293252 /nfs/dbraw/zinc/29/32/52/947293252.db2.gz LMZBHHDBHCETEV-LJQANCHMSA-N 1 0 414.475 4.414 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)c1C#N ZINC000572736138 947993661 /nfs/dbraw/zinc/99/36/61/947993661.db2.gz WBPZCBOTWKKGAQ-NHCUHLMSSA-N 1 0 408.546 4.457 20 30 HIEDRO COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1 ZINC000573749674 948288437 /nfs/dbraw/zinc/28/84/37/948288437.db2.gz UBVUBNKXPKCWGZ-HXUWFJFHSA-N 1 0 410.949 4.058 20 30 HIEDRO COc1cc(C[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)ccc1C#N ZINC000574123066 948371176 /nfs/dbraw/zinc/37/11/76/948371176.db2.gz IRDWPDKDRXOZFU-UHFFFAOYSA-N 1 0 409.493 4.163 20 30 HIEDRO Cc1ccc(OCc2nc(CN(CC[NH+](C)C)Cc3ccc(C#N)cc3)cs2)cc1 ZINC000574366937 948426441 /nfs/dbraw/zinc/42/64/41/948426441.db2.gz ZYIWIRYPSVRECT-UHFFFAOYSA-N 1 0 420.582 4.466 20 30 HIEDRO Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000576032807 948813600 /nfs/dbraw/zinc/81/36/00/948813600.db2.gz ZBZANWHTAZYGLU-OAHLLOKOSA-N 1 0 405.365 4.153 20 30 HIEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627204 719080608 /nfs/dbraw/zinc/08/06/08/719080608.db2.gz PRYRESSUANGVLI-MSOLQXFVSA-N 1 0 402.876 4.252 20 30 HIEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2ccc(C4(C#N)CCC4)cn2)CC3)cs1 ZINC001164691937 719808705 /nfs/dbraw/zinc/80/87/05/719808705.db2.gz AWFZXZCIZJMOCI-UHFFFAOYSA-N 1 0 407.587 4.427 20 30 HIEDRO C[Si](C)(C)C#Cc1cccnc1N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164955419 722019503 /nfs/dbraw/zinc/01/95/03/722019503.db2.gz FYESNJRJLUKIKU-UHFFFAOYSA-N 1 0 404.634 4.198 20 30 HIEDRO CCN(CC(=O)Nc1ccccc1SCC#N)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000435943247 861208415 /nfs/dbraw/zinc/20/84/15/861208415.db2.gz OMDNTIQDOMLQKI-CTNGQTDRSA-N 1 0 422.598 4.398 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cc1)C1CC1 ZINC000436166670 861468902 /nfs/dbraw/zinc/46/89/02/861468902.db2.gz SBGZQGAKSNCSDE-UHFFFAOYSA-N 1 0 422.960 4.158 20 30 HIEDRO O=C(c1ccc(Cl)s1)C(C(=S)Nc1ccccc1)[n+]1cccc(CO)c1 ZINC000007611274 845373229 /nfs/dbraw/zinc/37/32/29/845373229.db2.gz QXZINFFBFFTNNQ-UHFFFAOYSA-O 1 0 403.936 4.232 20 30 HIEDRO Cc1cccc(NC(=S)C(C(=O)c2ccc(F)c(F)c2)[n+]2cccc(CO)c2)c1 ZINC000011269176 845773701 /nfs/dbraw/zinc/77/37/01/845773701.db2.gz NPYNIBRSWSIDBK-UHFFFAOYSA-O 1 0 413.469 4.104 20 30 HIEDRO CCCc1cc[n+](C(C(=O)c2cc(C)ccc2C)C(=S)NC[C@H]2CCCO2)cc1 ZINC000022691605 846604313 /nfs/dbraw/zinc/60/43/13/846604313.db2.gz JYSGSOBIYLHJIF-HXUWFJFHSA-O 1 0 411.591 4.251 20 30 HIEDRO Cc1ccc(C)c(C(=O)C(C(=S)NC[C@@H]2CCCO2)[n+]2ccc3c(c2)CCCC3)c1 ZINC000022691595 846604355 /nfs/dbraw/zinc/60/43/55/846604355.db2.gz CIWSBRASPMHTAB-NRFANRHFSA-O 1 0 423.602 4.177 20 30 HIEDRO COc1ccc(CNC(=S)C(C(=O)c2ccc3c(c2)CCC3)[n+]2ccccc2)cc1 ZINC000022692978 846605307 /nfs/dbraw/zinc/60/53/07/846605307.db2.gz ZGDRJQYGOFMQKI-UHFFFAOYSA-O 1 0 417.554 4.200 20 30 HIEDRO Cc1ccc(NC(=S)C(C(=O)c2cc(F)ccc2F)[n+]2cccc(CO)c2)cc1 ZINC000022730894 846610260 /nfs/dbraw/zinc/61/02/60/846610260.db2.gz SFKRPNIASLUTPV-UHFFFAOYSA-O 1 0 413.469 4.104 20 30 HIEDRO C[C@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000022772422 846618255 /nfs/dbraw/zinc/61/82/55/846618255.db2.gz YYAUIAXKABWPCX-OAQYLSRUSA-N 1 0 424.548 4.292 20 30 HIEDRO COc1ccc(CCNC(=S)C(C(=O)c2cc(C)ccc2C)[n+]2ccccc2)cc1 ZINC000022802519 846622897 /nfs/dbraw/zinc/62/28/97/846622897.db2.gz RXSLXWCDFDBECN-UHFFFAOYSA-O 1 0 419.570 4.371 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc2c(c1)CCCC2 ZINC000022798604 846623042 /nfs/dbraw/zinc/62/30/42/846623042.db2.gz JXJNOIGVUOLCKE-UHFFFAOYSA-O 1 0 424.546 4.174 20 30 HIEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccc(Br)cc2)c(OC)c1 ZINC000025661573 847017107 /nfs/dbraw/zinc/01/71/07/847017107.db2.gz KMCHZBIIABGYCZ-BEFAXECRSA-N 1 0 420.347 4.277 20 30 HIEDRO O[C@]1(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CCC[C@H](C(F)(F)F)C1 ZINC000436413643 861764824 /nfs/dbraw/zinc/76/48/24/861764824.db2.gz RITVLTHMPXNNRP-SWLSCSKDSA-N 1 0 403.338 4.340 20 30 HIEDRO N#Cc1ccc(CN2CC[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)CC2)cc1 ZINC000028879272 847471990 /nfs/dbraw/zinc/47/19/90/847471990.db2.gz REQNPNDPJPLJNE-UHFFFAOYSA-N 1 0 417.340 4.011 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@H]2CCc3ccccc32)c1C#N ZINC000029486857 847569363 /nfs/dbraw/zinc/56/93/63/847569363.db2.gz AHJGZGBCSUUTLT-QFIPXVFZSA-N 1 0 402.498 4.176 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000043278490 848403247 /nfs/dbraw/zinc/40/32/47/848403247.db2.gz WWOZOVOAVARSNQ-UHFFFAOYSA-N 1 0 402.420 4.317 20 30 HIEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000045625726 848704762 /nfs/dbraw/zinc/70/47/62/848704762.db2.gz JSTCYNMYTVBCTR-MRXNPFEDSA-N 1 0 418.463 4.411 20 30 HIEDRO C=CCN(Cc1ccccc1)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000045787169 848728584 /nfs/dbraw/zinc/72/85/84/848728584.db2.gz OOFPADRZTUWVRR-SFTDATJTSA-N 1 0 407.558 4.194 20 30 HIEDRO CC1CC[NH+](CCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000046370442 848834280 /nfs/dbraw/zinc/83/42/80/848834280.db2.gz HSIXKJGSSDAQJT-UHFFFAOYSA-N 1 0 406.530 4.185 20 30 HIEDRO N#Cc1ccc(C[NH+](Cc2ccc(C#N)cc2)C2CCN(c3ccccn3)CC2)cc1 ZINC000047045491 848976962 /nfs/dbraw/zinc/97/69/62/848976962.db2.gz AHCVDZYKHHIQKZ-UHFFFAOYSA-N 1 0 407.521 4.496 20 30 HIEDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000047608984 849084582 /nfs/dbraw/zinc/08/45/82/849084582.db2.gz RWJRWVVEOCEHDG-UONOGXRCSA-N 1 0 401.894 4.297 20 30 HIEDRO Cc1ccccc1C[N@@H+]1CCCN(C(=O)Nc2nnc(-c3ccsc3)s2)CC1 ZINC000052496325 849589173 /nfs/dbraw/zinc/58/91/73/849589173.db2.gz TZWCBAGULAUTNG-UHFFFAOYSA-N 1 0 413.572 4.328 20 30 HIEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cc2ccccc2o1 ZINC000053986381 849786546 /nfs/dbraw/zinc/78/65/46/849786546.db2.gz SXDKJDNHTWSELZ-SFHVURJKSA-N 1 0 402.498 4.283 20 30 HIEDRO CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1 ZINC000054340383 849849969 /nfs/dbraw/zinc/84/99/69/849849969.db2.gz FPLOUOFTKCFWGD-GOSISDBHSA-N 1 0 409.530 4.007 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(OCc2ccccc2C#N)c1)c1ccsc1 ZINC000055220044 849989533 /nfs/dbraw/zinc/98/95/33/849989533.db2.gz FTQHXSYQKLTPIZ-JOCHJYFZSA-N 1 0 405.523 4.231 20 30 HIEDRO COc1cc(C)c([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000056153930 850259425 /nfs/dbraw/zinc/25/94/25/850259425.db2.gz IGTCAOBOQAHZPH-ZIAGYGMSSA-N 1 0 401.894 4.215 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1ccccc1N1CC[NH+](CC)CC1 ZINC000056565348 850395396 /nfs/dbraw/zinc/39/53/96/850395396.db2.gz GKYKNYIWUTUJTN-UHFFFAOYSA-N 1 0 408.546 4.057 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000056758008 850468972 /nfs/dbraw/zinc/46/89/72/850468972.db2.gz MOARIPURYGNANN-UHFFFAOYSA-N 1 0 412.578 4.085 20 30 HIEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1C(F)(F)F ZINC000056853651 850504195 /nfs/dbraw/zinc/50/41/95/850504195.db2.gz MAPBQYJPJICQTI-INIZCTEOSA-N 1 0 418.463 4.411 20 30 HIEDRO CCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nnc1[C@@H](CC)N(C)C ZINC000058165679 850776545 /nfs/dbraw/zinc/77/65/45/850776545.db2.gz OFBAJPLEZYUYOE-MAUKXSAKSA-N 1 0 414.579 4.082 20 30 HIEDRO COc1ccc2ccccc2c1C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CCCC1 ZINC000060564412 851148288 /nfs/dbraw/zinc/14/82/88/851148288.db2.gz VMZVYCJUNHJSHG-VWLOTQADSA-N 1 0 405.542 4.401 20 30 HIEDRO COc1ccc([C@@H](CNC(=O)CSCc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000061400187 851367120 /nfs/dbraw/zinc/36/71/20/851367120.db2.gz NMVBWCRKNINWLO-HSZRJFAPSA-N 1 0 423.582 4.143 20 30 HIEDRO COc1ccc(C[NH+]2CCC(CNC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000063389214 851673714 /nfs/dbraw/zinc/67/37/14/851673714.db2.gz QVRDYWBWFYKWMK-UHFFFAOYSA-N 1 0 412.921 4.254 20 30 HIEDRO CCc1c(C(=O)C(C(=S)NCc2ccccc2)[n+]2ccccc2)[nH]c(C)c1C(C)=O ZINC000063440388 851690079 /nfs/dbraw/zinc/69/00/79/851690079.db2.gz YMQMOXJCHJKIQX-UHFFFAOYSA-O 1 0 420.558 4.104 20 30 HIEDRO CCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1ccc(C(C)(C)C)cc1 ZINC000063440091 851690280 /nfs/dbraw/zinc/69/02/80/851690280.db2.gz SXDPLZRDISWNFV-UHFFFAOYSA-O 1 0 414.595 4.221 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)C ZINC000063550518 851713271 /nfs/dbraw/zinc/71/32/71/851713271.db2.gz HYQKMICEVXJVDJ-QFIPXVFZSA-N 1 0 410.562 4.329 20 30 HIEDRO CCOc1ccc(NC(=O)C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000063559392 851713838 /nfs/dbraw/zinc/71/38/38/851713838.db2.gz GLHHQGXCGIEZAW-UHFFFAOYSA-N 1 0 415.493 4.264 20 30 HIEDRO CC(C)[N@H+](CC(=O)N(C)Cc1ccccc1Br)Cc1ccc(C#N)cc1 ZINC000063751177 851754342 /nfs/dbraw/zinc/75/43/42/851754342.db2.gz PSAMEZQSIBPBJW-UHFFFAOYSA-N 1 0 414.347 4.190 20 30 HIEDRO CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437090613 862283028 /nfs/dbraw/zinc/28/30/28/862283028.db2.gz WVNBPEASXRNJFW-QNGMFEMESA-N 1 0 409.530 4.271 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+]C2(c3ccccc3)CCC2)c1C#N ZINC000064343640 851875572 /nfs/dbraw/zinc/87/55/72/851875572.db2.gz XAQVVEOGPRCDOR-UHFFFAOYSA-N 1 0 402.498 4.225 20 30 HIEDRO CC(C)n1ncc2c1nc(-c1cccs1)cc2C(=O)N(CCC#N)CCC[NH+](C)C ZINC000064361415 851878776 /nfs/dbraw/zinc/87/87/76/851878776.db2.gz OJQWMNWUABBRLU-UHFFFAOYSA-N 1 0 424.574 4.048 20 30 HIEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ncc(Br)s1 ZINC000437108487 862296306 /nfs/dbraw/zinc/29/63/06/862296306.db2.gz NSOXQFNLZHSPNH-XGNXJENSSA-N 1 0 407.337 4.213 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000065518037 852164373 /nfs/dbraw/zinc/16/43/73/852164373.db2.gz RSPOVKCNTJOSIC-HSZRJFAPSA-N 1 0 407.558 4.305 20 30 HIEDRO Cc1ccc(-c2nc(C)c(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)s2)o1 ZINC000065930513 852321015 /nfs/dbraw/zinc/32/10/15/852321015.db2.gz SEXJOMGXKIZJKU-UHFFFAOYSA-N 1 0 408.527 4.096 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCSc1ccccc1Cl ZINC000065931305 852322631 /nfs/dbraw/zinc/32/26/31/852322631.db2.gz BNOPJIZOLNJTKH-UHFFFAOYSA-N 1 0 401.963 4.284 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000065951604 852332720 /nfs/dbraw/zinc/33/27/20/852332720.db2.gz JVADRFWJTHVPBM-HSZRJFAPSA-N 1 0 420.557 4.104 20 30 HIEDRO C=CCN(CCc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000065984815 852341592 /nfs/dbraw/zinc/34/15/92/852341592.db2.gz GRVXEVHROUFMTM-UHFFFAOYSA-N 1 0 406.574 4.400 20 30 HIEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)CC1 ZINC000072015446 852467164 /nfs/dbraw/zinc/46/71/64/852467164.db2.gz VGBVFYVJKGXKKC-UHFFFAOYSA-N 1 0 405.470 4.004 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)cc(Br)c1 ZINC000437178776 862373242 /nfs/dbraw/zinc/37/32/42/862373242.db2.gz ATZGHNDEVGCUER-UHFFFAOYSA-N 1 0 420.738 4.178 20 30 HIEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000106259959 852765718 /nfs/dbraw/zinc/76/57/18/852765718.db2.gz WCKTXRRTVKZUBB-MOPGFXCFSA-N 1 0 402.498 4.343 20 30 HIEDRO N#Cc1ccccc1OCc1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)o1 ZINC000108106697 852823041 /nfs/dbraw/zinc/82/30/41/852823041.db2.gz COICLQHHNVEXCY-LJQANCHMSA-N 1 0 421.522 4.359 20 30 HIEDRO C=CCOc1ccc(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1OC ZINC000146061150 853562237 /nfs/dbraw/zinc/56/22/37/853562237.db2.gz MNOLYOQIOLFYGW-UHFFFAOYSA-N 1 0 412.555 4.104 20 30 HIEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@H](C)c1cccs1)[n+]1ccc(C)cc1 ZINC000186966129 853669371 /nfs/dbraw/zinc/66/93/71/853669371.db2.gz WJOYOAAFAWQESL-CYBMUJFWSA-O 1 0 400.549 4.238 20 30 HIEDRO CC[NH+]1CCN(c2ccc(NC(=O)Nc3cc(C#N)ccc3OC(C)C)c(C)c2)CC1 ZINC000195701247 853767682 /nfs/dbraw/zinc/76/76/82/853767682.db2.gz WLSDTFIEQPYNGH-UHFFFAOYSA-N 1 0 421.545 4.440 20 30 HIEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1OC ZINC000214254024 853829596 /nfs/dbraw/zinc/82/95/96/853829596.db2.gz GDCVOOHOZFNIKO-QXHGNLAOSA-N 1 0 410.514 4.210 20 30 HIEDRO C=CCOc1ccc(/C=C\C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1OC ZINC000214253965 853829732 /nfs/dbraw/zinc/82/97/32/853829732.db2.gz GDCVOOHOZFNIKO-ZZLBYYGFSA-N 1 0 410.514 4.210 20 30 HIEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000216167049 853846206 /nfs/dbraw/zinc/84/62/06/853846206.db2.gz IWJRIAUXROJIKB-LLVKDONJSA-N 1 0 404.146 4.437 20 30 HIEDRO CC(C)Oc1cccc([C@H](O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000236599105 853901376 /nfs/dbraw/zinc/90/13/76/853901376.db2.gz KQFYVEZXZQRVEB-HSZRJFAPSA-N 1 0 404.514 4.074 20 30 HIEDRO CC(C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)N1CCc2ccccc2C1 ZINC000236741540 853918677 /nfs/dbraw/zinc/91/86/77/853918677.db2.gz GZJVBOPHTCFUAQ-UHFFFAOYSA-N 1 0 413.569 4.390 20 30 HIEDRO C=CCNC(=O)Nc1ccc(NCc2ccccc2N2CC[NH+](CCC)CC2)cc1 ZINC000236804664 853925988 /nfs/dbraw/zinc/92/59/88/853925988.db2.gz STNBZBQMGSCQSC-UHFFFAOYSA-N 1 0 407.562 4.138 20 30 HIEDRO CCc1ccc([C@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)N(C)C)cc1 ZINC000236976623 853945288 /nfs/dbraw/zinc/94/52/88/853945288.db2.gz QTDASRVSSHQKGT-DEOSSOPVSA-N 1 0 401.558 4.419 20 30 HIEDRO CN(CCC#N)c1ccc(C[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000237202507 853981261 /nfs/dbraw/zinc/98/12/61/853981261.db2.gz JBAZLAHCZRCYQF-UHFFFAOYSA-N 1 0 417.479 4.209 20 30 HIEDRO COc1ccc(C[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)cc1OCCCC#N ZINC000237358465 854013883 /nfs/dbraw/zinc/01/38/83/854013883.db2.gz HCOCRESKWSAHBG-UHFFFAOYSA-N 1 0 422.573 4.202 20 30 HIEDRO COc1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc(Cl)c1OC ZINC000237363633 854014441 /nfs/dbraw/zinc/01/44/41/854014441.db2.gz YLNUQWCIIFRVJA-MRXNPFEDSA-N 1 0 403.885 4.127 20 30 HIEDRO COc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OCCCC#N ZINC000237368358 854015573 /nfs/dbraw/zinc/01/55/73/854015573.db2.gz YQDKXLJCVPKFSP-FQEVSTJZSA-N 1 0 422.504 4.147 20 30 HIEDRO C[C@H](C#N)Oc1ccc(C[NH2+][C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)cc1 ZINC000237602372 854060876 /nfs/dbraw/zinc/06/08/76/854060876.db2.gz LDDCCUFXQHUHQZ-MSOLQXFVSA-N 1 0 400.482 4.476 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccccc3OCc3ccccn3)C2)c(F)c1 ZINC000237713590 854081874 /nfs/dbraw/zinc/08/18/74/854081874.db2.gz NOGVWCJJNSHRNJ-OAQYLSRUSA-N 1 0 416.500 4.430 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(OCc4ccncc4)cc3)C2)c(F)c1 ZINC000237713872 854081933 /nfs/dbraw/zinc/08/19/33/854081933.db2.gz YHWMUWZWDRVQQJ-JOCHJYFZSA-N 1 0 416.500 4.430 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cccc(OCc4ccccn4)c3)C2)c(F)c1 ZINC000237715134 854082116 /nfs/dbraw/zinc/08/21/16/854082116.db2.gz DZNOPERVLWLLJE-NRFANRHFSA-N 1 0 416.500 4.430 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccc(OC3CCCC3)nc2)c(-c2ccccc2)n1 ZINC000237832088 854105459 /nfs/dbraw/zinc/10/54/59/854105459.db2.gz VANHAVCSCUMTGD-UHFFFAOYSA-N 1 0 401.514 4.470 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)c(-c2ccccc2)n1 ZINC000237853254 854108608 /nfs/dbraw/zinc/10/86/08/854108608.db2.gz RVUYZXDZLKJIKV-UHFFFAOYSA-N 1 0 400.461 4.078 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C[C@H]2CCN(CC(F)(F)F)C2)c1 ZINC000237867196 854111731 /nfs/dbraw/zinc/11/17/31/854111731.db2.gz HKIIUVJFZYOZBT-GOSISDBHSA-N 1 0 403.448 4.111 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)c1 ZINC000237880906 854113785 /nfs/dbraw/zinc/11/37/85/854113785.db2.gz HZROXBGXVDEFNK-QHCPKHFHSA-N 1 0 413.949 4.186 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c1 ZINC000237915546 854118757 /nfs/dbraw/zinc/11/87/57/854118757.db2.gz YQDGGGXIDKFLSP-UHFFFAOYSA-N 1 0 415.493 4.125 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccc(N3CCCCC3=O)cc2)c(-c2ccccc2)n1 ZINC000238047101 854137460 /nfs/dbraw/zinc/13/74/60/854137460.db2.gz NYOIAOATZBQKJN-UHFFFAOYSA-N 1 0 413.525 4.270 20 30 HIEDRO CCN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000261396546 854247311 /nfs/dbraw/zinc/24/73/11/854247311.db2.gz SMHBMKNAZIVPAH-LAUBAEHRSA-N 1 0 410.949 4.308 20 30 HIEDRO C[C@H]([NH2+]C1(CNc2nc(C(F)(F)F)ccc2C#N)CCOCC1)c1ccccc1 ZINC000301249480 854339272 /nfs/dbraw/zinc/33/92/72/854339272.db2.gz BRVKWWZQDUKKPE-HNNXBMFYSA-N 1 0 404.436 4.284 20 30 HIEDRO C=CC[NH+]1CCC(Nc2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2Cl)CC1 ZINC000301386520 854378476 /nfs/dbraw/zinc/37/84/76/854378476.db2.gz CSHZNNQUDJBQQB-UHFFFAOYSA-N 1 0 413.736 4.255 20 30 HIEDRO N#Cc1cc(NCC2CC[NH+](Cc3cccs3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301416618 854388553 /nfs/dbraw/zinc/38/85/53/854388553.db2.gz QZHDXQWCZBOJOD-UHFFFAOYSA-N 1 0 407.499 4.400 20 30 HIEDRO C[C@@H]1C[C@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC[N@@H+]1Cc1ccccc1 ZINC000301529805 854413989 /nfs/dbraw/zinc/41/39/89/854413989.db2.gz JGMQDPPZPVHLRT-VQIMIIECSA-N 1 0 401.470 4.480 20 30 HIEDRO COc1ccc([C@@H](CNc2ccc(C#N)cc2Br)[NH+](C)C)cc1OC ZINC000302601021 854590276 /nfs/dbraw/zinc/59/02/76/854590276.db2.gz YIYFRLZOSYXVJN-QGZVFWFLSA-N 1 0 404.308 4.053 20 30 HIEDRO CN(c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000302654260 854598895 /nfs/dbraw/zinc/59/88/95/854598895.db2.gz KNTRXTKXLBQPCG-UHFFFAOYSA-N 1 0 401.470 4.115 20 30 HIEDRO C[N@@H+]1CCCC[C@H]1CCSc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1 ZINC000302906508 854674482 /nfs/dbraw/zinc/67/44/82/854674482.db2.gz BDZURMMPQIDBBU-SFHVURJKSA-N 1 0 404.539 4.224 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1csc(Br)c1 ZINC000303068745 854746336 /nfs/dbraw/zinc/74/63/36/854746336.db2.gz ZMOWPTAXUWCLRY-UHFFFAOYSA-N 1 0 424.389 4.393 20 30 HIEDRO Cc1cccc(C(C)C)c1NC(=O)CON=C(N)c1ccccc1C[NH+]1CCCCC1 ZINC000303137630 854779343 /nfs/dbraw/zinc/77/93/43/854779343.db2.gz JWTMQQUHOQOCLX-UHFFFAOYSA-N 1 0 422.573 4.380 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cccc3c2oc(-c2ccccc2)c(C)c3=O)CC1 ZINC000303294352 854856459 /nfs/dbraw/zinc/85/64/59/854856459.db2.gz OSNXWBWUOWBTDG-UHFFFAOYSA-N 1 0 402.494 4.149 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000303302650 854861286 /nfs/dbraw/zinc/86/12/86/854861286.db2.gz CZKDIWSYOPNWSA-KRWDZBQOSA-N 1 0 418.632 4.421 20 30 HIEDRO N#Cc1ccc(SCC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000303308113 854864169 /nfs/dbraw/zinc/86/41/69/854864169.db2.gz OGQITLLJIWGIEM-UHFFFAOYSA-N 1 0 413.974 4.332 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000303460579 854960890 /nfs/dbraw/zinc/96/08/90/854960890.db2.gz LJYZWTYNZJDJHP-QGZVFWFLSA-N 1 0 408.571 4.407 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000303562772 855041890 /nfs/dbraw/zinc/04/18/90/855041890.db2.gz IHZXRKYGEHAJQX-ACRUOGEOSA-N 1 0 403.636 4.238 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000303562774 855042297 /nfs/dbraw/zinc/04/22/97/855042297.db2.gz IHZXRKYGEHAJQX-HKBOAZHASA-N 1 0 403.636 4.238 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1C ZINC000303667002 855118526 /nfs/dbraw/zinc/11/85/26/855118526.db2.gz WMSOWCSQNUMVKJ-GGAORHGYSA-N 1 0 410.606 4.137 20 30 HIEDRO COc1ccc([C@@H](CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)N2CCCC2)cc1 ZINC000303694493 855138354 /nfs/dbraw/zinc/13/83/54/855138354.db2.gz CWRAIRANEQOTES-LJQANCHMSA-N 1 0 422.451 4.158 20 30 HIEDRO [NH2+]=C(NCc1ccc(OCC(F)(F)F)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303770096 855187928 /nfs/dbraw/zinc/18/79/28/855187928.db2.gz BORINJZVDVROJL-UHFFFAOYSA-N 1 0 407.314 4.453 20 30 HIEDRO C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000303779081 855194055 /nfs/dbraw/zinc/19/40/55/855194055.db2.gz SDPOVJBERWJIEU-UWJYYQICSA-N 1 0 410.949 4.135 20 30 HIEDRO COc1ccc([C@@H](CNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)N2CCCCC2)cc1 ZINC000303786519 855197627 /nfs/dbraw/zinc/19/76/27/855197627.db2.gz RMPNFZBAGGZRMJ-HXUWFJFHSA-N 1 0 416.953 4.311 20 30 HIEDRO [NH2+]=C(NC[C@H]1CCN(c2cccc(Br)c2)C1)Nc1ccc2c(c1)CCC2 ZINC000303869736 855261314 /nfs/dbraw/zinc/26/13/14/855261314.db2.gz FCDREFQOYAAPRU-OAHLLOKOSA-N 1 0 413.363 4.191 20 30 HIEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000303873896 855263731 /nfs/dbraw/zinc/26/37/31/855263731.db2.gz GYQPDUSUUUKSOL-MRXNPFEDSA-N 1 0 401.352 4.319 20 30 HIEDRO COc1ccc(NC(=[NH2+])NC[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1OC ZINC000303883954 855269742 /nfs/dbraw/zinc/26/97/42/855269742.db2.gz IXPCKFIGYSHCBQ-QGZVFWFLSA-N 1 0 420.916 4.060 20 30 HIEDRO CCc1ccc(NC(=[NH2+])NCc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000303897791 855276357 /nfs/dbraw/zinc/27/63/57/855276357.db2.gz VDMBZLSTFWKEGM-UHFFFAOYSA-N 1 0 406.452 4.031 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000303929020 855298064 /nfs/dbraw/zinc/29/80/64/855298064.db2.gz WVPCKZCKGPWBEC-QHCPKHFHSA-N 1 0 418.585 4.147 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCc2coc(-c3ccc(F)cc3)n2)c1 ZINC000303977737 855332326 /nfs/dbraw/zinc/33/23/26/855332326.db2.gz LQABIUPBHYUOQP-UHFFFAOYSA-N 1 0 412.465 4.247 20 30 HIEDRO CCc1cccc(NC(=[NH2+])NCCC(=O)Nc2ccc(Br)cc2C)c1 ZINC000303991551 855337618 /nfs/dbraw/zinc/33/76/18/855337618.db2.gz ZQCCHHUTTSWPBW-UHFFFAOYSA-N 1 0 403.324 4.075 20 30 HIEDRO COc1ccccc1N1CC[C@@H](CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000303988513 855337947 /nfs/dbraw/zinc/33/79/47/855337947.db2.gz WSFMXZLYVSRWNF-CABCVRRESA-N 1 0 421.372 4.494 20 30 HIEDRO Cc1ccc(-c2nc(CCNC(=[NH2+])NCc3ccc(OC(F)(F)F)cc3)co2)cc1 ZINC000304462986 855355875 /nfs/dbraw/zinc/35/58/75/855355875.db2.gz AGPNYOCGEGTZBR-UHFFFAOYSA-N 1 0 418.419 4.196 20 30 HIEDRO [NH2+]=C(NCc1ccccc1N1CCOCC1)Nc1cccc(Oc2ccccc2)c1 ZINC000304484471 855356394 /nfs/dbraw/zinc/35/63/94/855356394.db2.gz KQCDTPBCBOPWDE-UHFFFAOYSA-N 1 0 402.498 4.242 20 30 HIEDRO COc1ccc(-c2ccc(CNC(=[NH2+])NCc3ccc(OC)c(OC)c3)s2)cc1 ZINC000304506837 855356553 /nfs/dbraw/zinc/35/65/53/855356553.db2.gz RHWNLWBDFMMBRV-UHFFFAOYSA-N 1 0 411.527 4.045 20 30 HIEDRO [NH2+]=C(NCc1ccc(COCc2ccccc2)cc1)N[C@H]1CCOc2ccccc21 ZINC000304490086 855356592 /nfs/dbraw/zinc/35/65/92/855356592.db2.gz NDKBSOPKMZHEOZ-QHCPKHFHSA-N 1 0 401.510 4.332 20 30 HIEDRO COc1ccc(NC(=[NH2+])NC[C@@H](C)Sc2ccc(Br)cc2)cc1OC ZINC000304754889 855357469 /nfs/dbraw/zinc/35/74/69/855357469.db2.gz MGYWAYISMHYJGJ-GFCCVEGCSA-N 1 0 424.364 4.374 20 30 HIEDRO CCc1nc(CN2CCC(CNC(=[NH2+])Nc3cccc4c3CCCC4)CC2)cs1 ZINC000304759356 855357900 /nfs/dbraw/zinc/35/79/00/855357900.db2.gz RAQOJXVKIUSKQG-UHFFFAOYSA-N 1 0 411.619 4.223 20 30 HIEDRO CC[C@@H](C)NC(=O)c1cccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000305235937 855359655 /nfs/dbraw/zinc/35/96/55/855359655.db2.gz NPDUDNVVNDLQCM-CYBMUJFWSA-N 1 0 408.424 4.040 20 30 HIEDRO CCOc1cc(CCCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)ccc1OC ZINC000305202134 855360064 /nfs/dbraw/zinc/36/00/64/855360064.db2.gz FQJOQPOWVBBYTE-UHFFFAOYSA-N 1 0 411.424 4.352 20 30 HIEDRO COCCCOc1cc(C)ccc1CNC(=[NH2+])Nc1ccccc1OC(F)(F)F ZINC000305259536 855361105 /nfs/dbraw/zinc/36/11/05/855361105.db2.gz XLICHUOBVZLPTM-UHFFFAOYSA-N 1 0 411.424 4.236 20 30 HIEDRO COc1cc(OC)c(OC)cc1C[N@H+](CCCC1(C#N)CCOCC1)C(C)(C)C ZINC000410412165 855982650 /nfs/dbraw/zinc/98/26/50/855982650.db2.gz AQALJLNUSRQYIL-UHFFFAOYSA-N 1 0 404.551 4.413 20 30 HIEDRO N#CC1(CCC[N@H+](Cc2ccco2)Cc2ccc(C(=O)NC3CC3)cc2)CCOCC1 ZINC000410422113 855990318 /nfs/dbraw/zinc/99/03/18/855990318.db2.gz VIMSGNKUIHTYQL-UHFFFAOYSA-N 1 0 421.541 4.275 20 30 HIEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)C[C@@H]3CCOC3)sc2C1 ZINC000426435706 856289178 /nfs/dbraw/zinc/28/91/78/856289178.db2.gz DNHRXPHHMANLGX-HOTGVXAUSA-N 1 0 403.592 4.068 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000426753124 856456380 /nfs/dbraw/zinc/45/63/80/856456380.db2.gz GYYCUVHGJHLDEQ-IBGZPJMESA-N 1 0 416.635 4.463 20 30 HIEDRO C=C(C)COc1cccc(NC(=O)N2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000429058139 857482612 /nfs/dbraw/zinc/48/26/12/857482612.db2.gz CXSOYOHPVUOUPL-WOJBJXKFSA-N 1 0 415.578 4.385 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000429122303 857519767 /nfs/dbraw/zinc/51/97/67/857519767.db2.gz KIGWZNVTWPUDDS-LRAJWGHMSA-N 1 0 415.584 4.230 20 30 HIEDRO CSC[C@H]1CCC[N@H+](CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000429277416 857587773 /nfs/dbraw/zinc/58/77/73/857587773.db2.gz VPQSUCYMPSLIGE-SFHVURJKSA-N 1 0 414.575 4.022 20 30 HIEDRO Cc1oc(NC(=O)C[NH2+][C@H]2c3cc(Br)ccc3CC2(C)C)c(C#N)c1C ZINC000429296620 857595257 /nfs/dbraw/zinc/59/52/57/857595257.db2.gz RRLZUIOLMYTDNB-SFHVURJKSA-N 1 0 416.319 4.382 20 30 HIEDRO COc1cc(C[NH2+][C@@H]2Cc3cccc(O)c3C2)ccc1OCc1cccc(C#N)c1 ZINC000429317939 857601202 /nfs/dbraw/zinc/60/12/02/857601202.db2.gz LXIHNILMSLKLMU-OAQYLSRUSA-N 1 0 400.478 4.108 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429780532 857883015 /nfs/dbraw/zinc/88/30/15/857883015.db2.gz ATRBQYGTXFYIJP-NHCUHLMSSA-N 1 0 419.573 4.190 20 30 HIEDRO C=CCn1c(SC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)nnc1-c1ccco1 ZINC000430114261 858038014 /nfs/dbraw/zinc/03/80/14/858038014.db2.gz BXZZCSPKEVCGCW-IBGZPJMESA-N 1 0 410.543 4.107 20 30 HIEDRO Cc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n(C2CC[NH+](C)CC2)n1 ZINC000430459383 858176442 /nfs/dbraw/zinc/17/64/42/858176442.db2.gz PUFLHANYLVNJQT-UHFFFAOYSA-N 1 0 415.497 4.375 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCC2(CC#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000430719168 858277012 /nfs/dbraw/zinc/27/70/12/858277012.db2.gz YTZUMIGLHZOEMU-FUHWJXTLSA-N 1 0 408.468 4.081 20 30 HIEDRO C[C@@H]1C[C@H](N(C)Cc2nnc(-c3cccc(C#N)c3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000430826263 858318773 /nfs/dbraw/zinc/31/87/73/858318773.db2.gz VERGXHWIGUZEPF-XMSQKQJNSA-N 1 0 401.514 4.093 20 30 HIEDRO C=CCN1C(=O)N(C[C@H]2CCC[N@H+](Cc3cccs3)C2)C(=O)[C@@H]1Cc1ccccc1 ZINC000431165828 858481870 /nfs/dbraw/zinc/48/18/70/858481870.db2.gz HHAUWKQEGWDOJA-UNMCSNQZSA-N 1 0 423.582 4.022 20 30 HIEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H](CCCC#N)c2ccccc2)CC1 ZINC000431452124 858623751 /nfs/dbraw/zinc/62/37/51/858623751.db2.gz MFSLZXYGFJARKK-AUSIDOKSSA-N 1 0 405.546 4.341 20 30 HIEDRO Cc1c(C#N)cccc1NC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000432275104 859079702 /nfs/dbraw/zinc/07/97/02/859079702.db2.gz ALJGBPDPWNXQAM-SFHVURJKSA-N 1 0 402.420 4.282 20 30 HIEDRO C=CC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)Cc1ccc(Cl)s1 ZINC000432969007 859454298 /nfs/dbraw/zinc/45/42/98/859454298.db2.gz BLKLHFALFXXNGQ-UHFFFAOYSA-N 1 0 412.342 4.171 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OC(F)F)c(C(F)(F)F)c2)CC1 ZINC000432996018 859469098 /nfs/dbraw/zinc/46/90/98/859469098.db2.gz ZBRVPFAIVQJLPU-UHFFFAOYSA-N 1 0 407.383 4.469 20 30 HIEDRO COc1ccc(OC)c([C@@H]2CCCN2C(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)c1 ZINC000433016870 859479578 /nfs/dbraw/zinc/47/95/78/859479578.db2.gz VHCJOUWHJJBYQM-GOTSBHOMSA-N 1 0 421.541 4.392 20 30 HIEDRO COc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)cc1OC ZINC000433030261 859489358 /nfs/dbraw/zinc/48/93/58/859489358.db2.gz JGEDTDJFICJUEJ-VXKWHMMOSA-N 1 0 421.541 4.392 20 30 HIEDRO CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433036168 859493078 /nfs/dbraw/zinc/49/30/78/859493078.db2.gz RVXATRORIGMYDE-GOSISDBHSA-N 1 0 420.376 4.494 20 30 HIEDRO C[C@@]1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCCN1Cc1ccccc1 ZINC000433321705 859638780 /nfs/dbraw/zinc/63/87/80/859638780.db2.gz OGOIRBVHWABBFZ-VWLOTQADSA-N 1 0 414.557 4.003 20 30 HIEDRO CC1(C)C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c2ccc(F)cc2O1 ZINC000433324412 859642416 /nfs/dbraw/zinc/64/24/16/859642416.db2.gz AYSQXZVRFKZCIM-FQEVSTJZSA-N 1 0 405.477 4.390 20 30 HIEDRO C[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCN1Cc1ccccc1 ZINC000433329270 859646784 /nfs/dbraw/zinc/64/67/84/859646784.db2.gz GDLPKMXIEANPIN-YKSBVNFPSA-N 1 0 414.557 4.001 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccccc2OC2CCCC2)c(-c2ccncc2)n1 ZINC000433335900 859650953 /nfs/dbraw/zinc/65/09/53/859650953.db2.gz RKXAILKFVGGCPY-UHFFFAOYSA-N 1 0 401.514 4.470 20 30 HIEDRO C[N@@H+]1CC[C@H](CNC(=O)[C@@H](C#N)CCc2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000433361286 859659989 /nfs/dbraw/zinc/65/99/89/859659989.db2.gz CGYDKQVIEORBLJ-KNKQGSTJSA-N 1 0 413.924 4.361 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Br)ccc2OC(C)C)CC1 ZINC000434129327 860129460 /nfs/dbraw/zinc/12/94/60/860129460.db2.gz WOROFIVEGDFQHU-UHFFFAOYSA-N 1 0 410.356 4.398 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)cc1Cl ZINC000434666060 860451553 /nfs/dbraw/zinc/45/15/53/860451553.db2.gz QPMPEVPBOQYOIY-UHFFFAOYSA-N 1 0 413.880 4.274 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCN(c2sccc2C#N)C1=O)c1cccc(OCc2ccccn2)c1 ZINC000434879219 860531806 /nfs/dbraw/zinc/53/18/06/860531806.db2.gz HWESIXYMUROZFP-HRAATJIYSA-N 1 0 418.522 4.050 20 30 HIEDRO COc1cccc([C@H]2C[C@H](C)C[N@@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000434986017 860586721 /nfs/dbraw/zinc/58/67/21/860586721.db2.gz FASGCMAVBWIQOZ-FDDCHVKYSA-N 1 0 401.514 4.450 20 30 HIEDRO CN(C)c1cccc([C@H]2CCC[N@@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000435127713 860653659 /nfs/dbraw/zinc/65/36/59/860653659.db2.gz YEICUUSVEAGRLP-HSZRJFAPSA-N 1 0 400.530 4.262 20 30 HIEDRO COc1ccc(C[C@H](C)C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)cc1 ZINC000435129249 860654370 /nfs/dbraw/zinc/65/43/70/860654370.db2.gz MEQJENICBGZXOJ-IBGZPJMESA-N 1 0 403.530 4.178 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(OCc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000435130473 860655335 /nfs/dbraw/zinc/65/53/35/860655335.db2.gz RXUKDBJMVQUDGH-UHFFFAOYSA-N 1 0 401.514 4.040 20 30 HIEDRO CCCOc1ccc2c(c1)CC[N@@H+](Cc1cn(CCC#N)nc1-c1ccncc1)C2 ZINC000435135214 860657343 /nfs/dbraw/zinc/65/73/43/860657343.db2.gz NENVGBVFEGPSDG-UHFFFAOYSA-N 1 0 401.514 4.206 20 30 HIEDRO N#Cc1cccc(C2(C(=O)Nc3cccc(NC(=O)CC[NH+]4CCCCC4)c3)CC2)c1 ZINC000435360911 860761298 /nfs/dbraw/zinc/76/12/98/860761298.db2.gz ITESZXXPTZNGLW-UHFFFAOYSA-N 1 0 416.525 4.043 20 30 HIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000435741354 861022063 /nfs/dbraw/zinc/02/20/63/861022063.db2.gz OJCOKAJOFYMWNP-IUODEOHRSA-N 1 0 406.267 4.130 20 30 HIEDRO C=CCC[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)c1ccccc1 ZINC000435745999 861027197 /nfs/dbraw/zinc/02/71/97/861027197.db2.gz SFWIXOKSJBXBAI-QHCPKHFHSA-N 1 0 405.542 4.087 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000435749631 861028863 /nfs/dbraw/zinc/02/88/63/861028863.db2.gz KOMDMICYSMMDBU-IERDGZPVSA-N 1 0 417.347 4.494 20 30 HIEDRO C=CCC[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000435749616 861029583 /nfs/dbraw/zinc/02/95/83/861029583.db2.gz KJKQTCFEBYSJGM-DEOSSOPVSA-N 1 0 419.569 4.477 20 30 HIEDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC[N@@H+]1C ZINC000437981696 863347369 /nfs/dbraw/zinc/34/73/69/863347369.db2.gz BBZLLRGINUJWNZ-UZLBHIALSA-N 1 0 410.493 4.223 20 30 HIEDRO O=C(NC[C@H]1CCC[N@@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1)c1ccccc1 ZINC000438072833 863455836 /nfs/dbraw/zinc/45/58/36/863455836.db2.gz LJFZGODRQGCBPH-LJQANCHMSA-N 1 0 416.443 4.079 20 30 HIEDRO Cc1ccc(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000438275892 863745599 /nfs/dbraw/zinc/74/55/99/863745599.db2.gz KGGIJZAEYKDSPG-IFMALSPDSA-N 1 0 406.530 4.239 20 30 HIEDRO Cc1ccc(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c(OCC[NH+](C)C)c1 ZINC000438275900 863747046 /nfs/dbraw/zinc/74/70/46/863747046.db2.gz KGGIJZAEYKDSPG-RBBKRZOGSA-N 1 0 406.530 4.239 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000438475692 863894272 /nfs/dbraw/zinc/89/42/72/863894272.db2.gz YORUUMKUMALNLM-UHFFFAOYSA-N 1 0 404.283 4.335 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000438483298 863899330 /nfs/dbraw/zinc/89/93/30/863899330.db2.gz MLZWPUMQHYPVOC-UHFFFAOYSA-N 1 0 405.420 4.374 20 30 HIEDRO CCOc1cc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)ccc1OC(F)F ZINC000438492389 863910238 /nfs/dbraw/zinc/91/02/38/863910238.db2.gz JJGOIXOIWSEMAZ-UHFFFAOYSA-N 1 0 417.456 4.433 20 30 HIEDRO N#Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1C(F)(F)F ZINC000438627896 864056687 /nfs/dbraw/zinc/05/66/87/864056687.db2.gz AGWUCIBKDWQRNM-UHFFFAOYSA-N 1 0 402.420 4.363 20 30 HIEDRO COc1cccc([C@H](CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)[NH+](C)C)c1 ZINC000438641646 864078180 /nfs/dbraw/zinc/07/81/80/864078180.db2.gz NAJFBFDEJVUYBH-SFHVURJKSA-N 1 0 406.408 4.010 20 30 HIEDRO Cc1cccc2nc(CN(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)cc(=O)n12 ZINC000438730365 864214042 /nfs/dbraw/zinc/21/40/42/864214042.db2.gz IDPZAAARZIKUFI-UHFFFAOYSA-N 1 0 412.468 4.216 20 30 HIEDRO CCCc1c(NC(=O)Nc2cccc(C[NH+](C)C)c2)cnn1-c1cccc(C#N)c1 ZINC000438913284 864392420 /nfs/dbraw/zinc/39/24/20/864392420.db2.gz RWSYEDXJMWFMLR-UHFFFAOYSA-N 1 0 402.502 4.402 20 30 HIEDRO CCn1ccnc1[C@H]1CCCCN1CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000439011226 864463752 /nfs/dbraw/zinc/46/37/52/864463752.db2.gz YRBVLUZSUINULH-GOSISDBHSA-N 1 0 411.575 4.271 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH+]2CCC([C@H]3CCCO3)CC2)sc2c1CCCCC2 ZINC000439273877 864693716 /nfs/dbraw/zinc/69/37/16/864693716.db2.gz LGTHKKIXIRMAPO-LJQANCHMSA-N 1 0 401.576 4.108 20 30 HIEDRO CSc1ccc([C@@H](C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000439471861 864843472 /nfs/dbraw/zinc/84/34/72/864843472.db2.gz RSSUOXRIJPSJJH-OAHLLOKOSA-N 1 0 406.473 4.246 20 30 HIEDRO CCCc1c(NC(=O)NCC(C)(C)[NH+]2CCCCC2)cnn1-c1cccc(C#N)c1 ZINC000439670772 865002729 /nfs/dbraw/zinc/00/27/29/865002729.db2.gz HMTMCIBEBVTNDR-UHFFFAOYSA-N 1 0 408.550 4.082 20 30 HIEDRO CCCc1c(NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)cnn1-c1cccc(C#N)c1 ZINC000439679177 865014722 /nfs/dbraw/zinc/01/47/22/865014722.db2.gz GJZRRYWBTMOQBB-OAQYLSRUSA-N 1 0 422.558 4.182 20 30 HIEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2cccc(C#N)c2)[C@@H]2CCCC[C@@H]12 ZINC000439990238 865299129 /nfs/dbraw/zinc/29/91/29/865299129.db2.gz UBWDNLCMDQVCJN-VFNZAUBDSA-N 1 0 424.589 4.071 20 30 HIEDRO CC(C)(Cc1ccc(Br)cc1)[NH2+]Cc1nnc(-c2ccc(C#N)cc2)o1 ZINC000440335061 865615929 /nfs/dbraw/zinc/61/59/29/865615929.db2.gz VFWHFZBXNGLYQC-UHFFFAOYSA-N 1 0 411.303 4.482 20 30 HIEDRO COc1cc(C[NH2+][C@@H](C)c2ccc(OCc3ccncc3)c(OC)c2)ccc1C#N ZINC000440798287 865919930 /nfs/dbraw/zinc/91/99/30/865919930.db2.gz HDGAXLUKRIJWJZ-KRWDZBQOSA-N 1 0 403.482 4.400 20 30 HIEDRO CC[C@@H](C)[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000440808232 865926478 /nfs/dbraw/zinc/92/64/78/865926478.db2.gz PVXOOBZSQAXEEF-HOYKHHGWSA-N 1 0 420.557 4.310 20 30 HIEDRO CCCC[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000440819426 865933935 /nfs/dbraw/zinc/93/39/35/865933935.db2.gz MAYZXAGPYRUAEM-QHCPKHFHSA-N 1 0 420.557 4.454 20 30 HIEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000441056528 866135445 /nfs/dbraw/zinc/13/54/45/866135445.db2.gz BXAWWARYTDQRSK-AWEZNQCLSA-N 1 0 408.449 4.242 20 30 HIEDRO CCCOc1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 ZINC000441061235 866141166 /nfs/dbraw/zinc/14/11/66/866141166.db2.gz JDACVMMFLDSXAC-UHFFFAOYSA-N 1 0 409.555 4.284 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)c1C#N ZINC000441232481 866307429 /nfs/dbraw/zinc/30/74/29/866307429.db2.gz SSIARSWWBPOOSM-VQTJNVASSA-N 1 0 412.578 4.169 20 30 HIEDRO C[C@@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000442197730 867219414 /nfs/dbraw/zinc/21/94/14/867219414.db2.gz XNFOVLNJOWNUGJ-KGLIPLIRSA-N 1 0 410.440 4.231 20 30 HIEDRO CS(=O)(=O)c1cccc([C@H]([NH2+]CC2CCC(C#N)CC2)c2cc(F)ccc2F)c1 ZINC000442879984 867712703 /nfs/dbraw/zinc/71/27/03/867712703.db2.gz XSHVUHCJLXMISY-LGHDPPOTSA-N 1 0 418.509 4.377 20 30 HIEDRO C=C[C@@](C)(CC)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000442980592 867776271 /nfs/dbraw/zinc/77/62/71/867776271.db2.gz RQEMAGVDDXPOOE-FQEVSTJZSA-N 1 0 409.368 4.011 20 30 HIEDRO COc1ccccc1-c1noc(C2CC[NH+](Cc3ccc(C#N)c(OC)c3)CC2)n1 ZINC000443070062 867809762 /nfs/dbraw/zinc/80/97/62/867809762.db2.gz QFBPACACBNXTDJ-UHFFFAOYSA-N 1 0 404.470 4.005 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1)c1ccc(Br)s1 ZINC000443338006 867911395 /nfs/dbraw/zinc/91/13/95/867911395.db2.gz YGCKBLQOBFHPNE-NTXUUIFSSA-N 1 0 412.397 4.481 20 30 HIEDRO C[C@@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C(C)(C)C[NH+](C)C ZINC000443687870 868290804 /nfs/dbraw/zinc/29/08/04/868290804.db2.gz YDFQDUFQNFJFTD-GOSISDBHSA-N 1 0 410.537 4.385 20 30 HIEDRO Cc1cc(C[NH2+]Cc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)ccc1C#N ZINC000443974602 868503133 /nfs/dbraw/zinc/50/31/33/868503133.db2.gz VIQANISADMGMOZ-UHFFFAOYSA-N 1 0 415.516 4.017 20 30 HIEDRO Cc1ccc([C@@H]2CCC[C@@H]2[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000444248079 868694742 /nfs/dbraw/zinc/69/47/42/868694742.db2.gz VWEVALJHIUZIOS-GOTSBHOMSA-N 1 0 413.525 4.259 20 30 HIEDRO Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000444380052 868801653 /nfs/dbraw/zinc/80/16/53/868801653.db2.gz CHQFRVMNJZETRJ-UHFFFAOYSA-N 1 0 412.509 4.412 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c(C(F)(F)F)c1 ZINC000444396526 868809051 /nfs/dbraw/zinc/80/90/51/868809051.db2.gz JUVMUCXBEFIBID-UHFFFAOYSA-N 1 0 400.445 4.192 20 30 HIEDRO CC(C)N(C)C(=O)C1CC[NH+](CCC(C#N)(c2ccccc2)c2ccccc2)CC1 ZINC000444595614 868895933 /nfs/dbraw/zinc/89/59/33/868895933.db2.gz VJKDDUFZIJQJSL-UHFFFAOYSA-N 1 0 403.570 4.465 20 30 HIEDRO N#CC(CC[N@@H+]1CCCC[C@H]1CN1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000444649138 868931444 /nfs/dbraw/zinc/93/14/44/868931444.db2.gz IRVNHURRCKETOD-VWLOTQADSA-N 1 0 403.570 4.073 20 30 HIEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1cccc(OCc2ccccc2)c1 ZINC000444735946 868983165 /nfs/dbraw/zinc/98/31/65/868983165.db2.gz PQNJSGGBQGJRDP-XXBNENTESA-N 1 0 402.494 4.228 20 30 HIEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](CC(F)(F)F)C(C)C)c1C#N ZINC000445883761 869871714 /nfs/dbraw/zinc/87/17/14/869871714.db2.gz FUYDJRMWTVCGDF-SFHVURJKSA-N 1 0 406.452 4.471 20 30 HIEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000445997137 869960961 /nfs/dbraw/zinc/96/09/61/869960961.db2.gz UZMRAZKJBOBWIC-WOJBJXKFSA-N 1 0 422.472 4.277 20 30 HIEDRO C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000446421086 870332010 /nfs/dbraw/zinc/33/20/10/870332010.db2.gz NYHPSOIKQRWILF-UHFFFAOYSA-N 1 0 403.482 4.342 20 30 HIEDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000447537545 871405329 /nfs/dbraw/zinc/40/53/29/871405329.db2.gz WRVRDQHZDWGEKX-WZONZLPQSA-N 1 0 411.571 4.220 20 30 HIEDRO CC[C@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccc(C#N)cc1 ZINC000447585131 871494284 /nfs/dbraw/zinc/49/42/84/871494284.db2.gz IJBZJNRCNZEMMB-FQEVSTJZSA-N 1 0 414.347 4.398 20 30 HIEDRO CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460283806 872871993 /nfs/dbraw/zinc/87/19/93/872871993.db2.gz OJSALGRXNBKIAK-WMZHIEFXSA-N 1 0 414.557 4.326 20 30 HIEDRO CCc1ccc(-c2nnc(N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n2CC)cc1 ZINC000460309278 872896276 /nfs/dbraw/zinc/89/62/76/872896276.db2.gz JHMGGCQYQZJZDF-UHFFFAOYSA-N 1 0 414.557 4.111 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460373815 873009924 /nfs/dbraw/zinc/00/99/24/873009924.db2.gz UNUKOFZXXXTYNF-YPIGPJMWSA-N 1 0 423.605 4.408 20 30 HIEDRO C=C(C)Cn1c(COc2ccccc2CC)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460538979 873238575 /nfs/dbraw/zinc/23/85/75/873238575.db2.gz LGPRJJSXFXRSMW-PZJWPPBQSA-N 1 0 409.578 4.059 20 30 HIEDRO C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460555651 873273793 /nfs/dbraw/zinc/27/37/93/873273793.db2.gz GCIIBEZPKPZOAM-UHFFFAOYSA-N 1 0 406.578 4.027 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460559533 873284056 /nfs/dbraw/zinc/28/40/56/873284056.db2.gz RTDXZJQXMATDSC-UHFFFAOYSA-N 1 0 416.573 4.325 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460558941 873284487 /nfs/dbraw/zinc/28/44/87/873284487.db2.gz QLLDVHCLCXFTKY-FYQPLNBISA-N 1 0 403.615 4.082 20 30 HIEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000460784818 873642924 /nfs/dbraw/zinc/64/29/24/873642924.db2.gz UAVVLHXQRDXHQZ-UHFFFAOYSA-N 1 0 402.546 4.017 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460793547 873660855 /nfs/dbraw/zinc/66/08/55/873660855.db2.gz LUSDQABAFIQYNT-QYZOEREBSA-N 1 0 413.541 4.196 20 30 HIEDRO C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460800721 873673501 /nfs/dbraw/zinc/67/35/01/873673501.db2.gz FRCBPPNMTDKPSZ-UHFFFAOYSA-N 1 0 422.602 4.485 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cncc(C(F)(F)F)c1 ZINC000460884813 873797063 /nfs/dbraw/zinc/79/70/63/873797063.db2.gz ZFHJCIQGBOKJEN-UHFFFAOYSA-N 1 0 411.497 4.199 20 30 HIEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460936514 873837491 /nfs/dbraw/zinc/83/74/91/873837491.db2.gz ZBTLKKYNACDFLJ-FQEVSTJZSA-N 1 0 402.546 4.017 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[N@@H+](CC)CC1 ZINC000460947155 873845836 /nfs/dbraw/zinc/84/58/36/873845836.db2.gz FDSRLSIBTSABBN-KRWDZBQOSA-N 1 0 403.958 4.180 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460953659 873851637 /nfs/dbraw/zinc/85/16/37/873851637.db2.gz ATPBXYFXDDGHSR-LGKPFJOYSA-N 1 0 423.605 4.408 20 30 HIEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460960974 873857328 /nfs/dbraw/zinc/85/73/28/873857328.db2.gz RZHAYXMLWIRHHO-IFMALSPDSA-N 1 0 416.573 4.406 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(NC(=O)CC(C)(C)C)ccc2Cl)CC1 ZINC000461113981 874037509 /nfs/dbraw/zinc/03/75/09/874037509.db2.gz OYVCCOKYKXXMHG-UHFFFAOYSA-N 1 0 405.970 4.485 20 30 HIEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)[C@@H](C)C1 ZINC000461482030 874541723 /nfs/dbraw/zinc/54/17/23/874541723.db2.gz BPRKXYRURUWFEG-UWJYYQICSA-N 1 0 420.586 4.093 20 30 HIEDRO CC[N@@H+]1CC[C@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@H]1C ZINC000461492675 874560661 /nfs/dbraw/zinc/56/06/61/874560661.db2.gz YUODDBGORNPCFV-XLIONFOSSA-N 1 0 420.586 4.236 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000468843825 882887058 /nfs/dbraw/zinc/88/70/58/882887058.db2.gz FWZIJBUTJMSQIK-UHFFFAOYSA-N 1 0 406.505 4.288 20 30 HIEDRO CC1CC[NH+](CCc2cccc(NC(=O)N3CC(Oc4ccc(C#N)cc4)C3)c2)CC1 ZINC000461908454 875052571 /nfs/dbraw/zinc/05/25/71/875052571.db2.gz FMYNXVPPTVQQII-UHFFFAOYSA-N 1 0 418.541 4.128 20 30 HIEDRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)c3cccc(C#N)c3)c(OCC)c2)CC1 ZINC000462319220 875439814 /nfs/dbraw/zinc/43/98/14/875439814.db2.gz ZPVNBAGWTRJZRQ-IBGZPJMESA-N 1 0 420.557 4.231 20 30 HIEDRO N#Cc1cccc(C2(NC(=O)NC[C@H]3CCCC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000462739217 875809962 /nfs/dbraw/zinc/80/99/62/875809962.db2.gz NPMILQXKIQMOQA-JOCHJYFZSA-N 1 0 402.542 4.149 20 30 HIEDRO C=CCc1cc(C[NH2+]C[C@H](C)Oc2ccc(Br)cc2)cc(OC)c1O ZINC000462755823 875819858 /nfs/dbraw/zinc/81/98/58/875819858.db2.gz LXLJEBQLGUJPEJ-AWEZNQCLSA-N 1 0 406.320 4.449 20 30 HIEDRO N#Cc1ccccc1COc1cccc(CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)c1 ZINC000462852620 875887119 /nfs/dbraw/zinc/88/71/19/875887119.db2.gz GXAJNHQCGRLZHS-RUZDIDTESA-N 1 0 413.521 4.316 20 30 HIEDRO OC[C@H]1C[N@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CCC1(F)F ZINC000462870070 875898944 /nfs/dbraw/zinc/89/89/44/875898944.db2.gz YSQOLASWKMIVEW-DGCLKSJQSA-N 1 0 407.301 4.008 20 30 HIEDRO COc1ccc(C[N@@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)cc1OCCCC#N ZINC000463035997 876058981 /nfs/dbraw/zinc/05/89/81/876058981.db2.gz RPFYXPQVBQRTQK-RUZDIDTESA-N 1 0 408.542 4.195 20 30 HIEDRO C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@@H+]2CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000463203728 876264996 /nfs/dbraw/zinc/26/49/96/876264996.db2.gz QKFYPERLRLLBCP-YCZSINBZSA-N 1 0 417.981 4.238 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)ccc1Cl ZINC000463210638 876270210 /nfs/dbraw/zinc/27/02/10/876270210.db2.gz OIKSLFBBGSDDDH-FCEUIQTBSA-N 1 0 417.981 4.301 20 30 HIEDRO C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Br)cc1OCCCO ZINC000463377641 876432893 /nfs/dbraw/zinc/43/28/93/876432893.db2.gz VWRRIWOHRXHDGW-OAHLLOKOSA-N 1 0 403.320 4.127 20 30 HIEDRO C[C@H]([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Br)cc1OCCCO ZINC000463377639 876433626 /nfs/dbraw/zinc/43/36/26/876433626.db2.gz VWRRIWOHRXHDGW-HNNXBMFYSA-N 1 0 403.320 4.127 20 30 HIEDRO FC(F)C(F)(F)COCCN1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000469000092 883065118 /nfs/dbraw/zinc/06/51/18/883065118.db2.gz QCGAEUPLFZIBEH-UHFFFAOYSA-N 1 0 416.381 4.130 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000463771885 876892649 /nfs/dbraw/zinc/89/26/49/876892649.db2.gz WRWZXZMLFJQAFF-SEJPIABJSA-N 1 0 406.526 4.185 20 30 HIEDRO C[C@@H]1C[C@@H](CCNC(=O)c2cc(-c3cccc(C#N)c3)no2)C[N@@H+]1Cc1ccccc1 ZINC000469018870 883085921 /nfs/dbraw/zinc/08/59/21/883085921.db2.gz OAXGOLKZQCWNAJ-WIYYLYMNSA-N 1 0 414.509 4.244 20 30 HIEDRO Cc1ncn(-c2ccc(NC(=O)C(=O)Nc3ccccc3SCCC#N)cc2)c1C ZINC000463991436 877125854 /nfs/dbraw/zinc/12/58/54/877125854.db2.gz CCPPRNBVZILJGG-UHFFFAOYSA-N 1 0 419.510 4.072 20 30 HIEDRO N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000464359559 877554160 /nfs/dbraw/zinc/55/41/60/877554160.db2.gz XULGOLLQIQDPCU-QHCPKHFHSA-N 1 0 403.526 4.132 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCc3sc(-c4ccc(F)cc4)nc32)CC1 ZINC000464363028 877560466 /nfs/dbraw/zinc/56/04/66/877560466.db2.gz DRMKTKPVHPMIOT-GOSISDBHSA-N 1 0 414.550 4.276 20 30 HIEDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000503292474 912275995 /nfs/dbraw/zinc/27/59/95/912275995.db2.gz SRVSQRUWLIYIMB-OAQYLSRUSA-N 1 0 406.530 4.185 20 30 HIEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000464746845 877980066 /nfs/dbraw/zinc/98/00/66/877980066.db2.gz HBNDDEPLVZYTJV-BGYRXZFFSA-N 1 0 421.541 4.278 20 30 HIEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C1 ZINC000464815241 878067497 /nfs/dbraw/zinc/06/74/97/878067497.db2.gz PNJZDWSQDREJTQ-HSZRJFAPSA-N 1 0 421.541 4.232 20 30 HIEDRO CCc1nsc(N2CCC[N@H+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)n1 ZINC000464859884 878141467 /nfs/dbraw/zinc/14/14/67/878141467.db2.gz PJFSCSHZZGCXIP-UHFFFAOYSA-N 1 0 403.555 4.351 20 30 HIEDRO C[C@@H]1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000464895323 878198889 /nfs/dbraw/zinc/19/88/89/878198889.db2.gz QUDGDQHNJBZYRC-OAQYLSRUSA-N 1 0 405.542 4.230 20 30 HIEDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(Oc3ccc(C#N)cc3OC)cc2)C1 ZINC000503369420 912349345 /nfs/dbraw/zinc/34/93/45/912349345.db2.gz GXCGQQDDXVEEFH-GOSISDBHSA-N 1 0 408.502 4.213 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000465246732 878668967 /nfs/dbraw/zinc/66/89/67/878668967.db2.gz OYHBWBIWLBXSEV-IBGZPJMESA-N 1 0 422.529 4.459 20 30 HIEDRO CC[NH+](CC)CCOC1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 ZINC000465254475 878681136 /nfs/dbraw/zinc/68/11/36/878681136.db2.gz RRTBXQNLHLTKHU-UHFFFAOYSA-N 1 0 420.557 4.265 20 30 HIEDRO N#Cc1ccccc1CSCCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000503399471 912378538 /nfs/dbraw/zinc/37/85/38/912378538.db2.gz MAFLSRRLKNPSAE-FQEVSTJZSA-N 1 0 414.619 4.089 20 30 HIEDRO CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 ZINC000503402252 912381588 /nfs/dbraw/zinc/38/15/88/912381588.db2.gz PQUTXJLRZLTGAU-UHFFFAOYSA-N 1 0 421.570 4.098 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)NCc1cc(C#N)ccc1F)c1ccccc1Cl ZINC000465424965 878854275 /nfs/dbraw/zinc/85/42/75/878854275.db2.gz DFEGRAJCPXBWGJ-HXUWFJFHSA-N 1 0 402.901 4.233 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000465427437 878858068 /nfs/dbraw/zinc/85/80/68/878858068.db2.gz CPLOBRGWMBOAIJ-HKBOAZHASA-N 1 0 408.571 4.366 20 30 HIEDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)NCc2cc(C#N)ccc2F)C1 ZINC000465535829 878996238 /nfs/dbraw/zinc/99/62/38/878996238.db2.gz ZNDFWDDCNZYFQH-HDICACEKSA-N 1 0 408.521 4.175 20 30 HIEDRO C[N@H+](Cc1ccccc1CNC(=O)NCc1cc(C#N)ccc1F)C1CCCCC1 ZINC000465730568 879310744 /nfs/dbraw/zinc/31/07/44/879310744.db2.gz UBIURNDCAROVIN-UHFFFAOYSA-N 1 0 408.521 4.461 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000465803621 879415572 /nfs/dbraw/zinc/41/55/72/879415572.db2.gz BQHWDMGCSQLMDF-PTUXOGIPSA-N 1 0 422.598 4.441 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000466106442 879821683 /nfs/dbraw/zinc/82/16/83/879821683.db2.gz RZTPAAINTRHKJP-RBBKRZOGSA-N 1 0 408.571 4.400 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000466163023 879865498 /nfs/dbraw/zinc/86/54/98/879865498.db2.gz GORJHCMQECMCOH-AYHJJNSGSA-N 1 0 424.358 4.301 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2cc(F)cc(Br)c2)CC1 ZINC000466220182 879916036 /nfs/dbraw/zinc/91/60/36/879916036.db2.gz COIWMTNXHAQEDI-IBGZPJMESA-N 1 0 424.358 4.475 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2cccc(C#N)c2)cc1OC ZINC000466410708 880178551 /nfs/dbraw/zinc/17/85/51/880178551.db2.gz SNXVZSMJQDGGEH-UHFFFAOYSA-N 1 0 401.304 4.226 20 30 HIEDRO N#CCSCCC[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000466708823 880500300 /nfs/dbraw/zinc/50/03/00/880500300.db2.gz UYXGUNLKZCUQQA-UHFFFAOYSA-N 1 0 401.526 4.319 20 30 HIEDRO C[C@H]1C[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[N@@H+]1Cc1ccccc1 ZINC000467043888 880838796 /nfs/dbraw/zinc/83/87/96/880838796.db2.gz HFAQZTSHCNSGIY-RXVVDRJESA-N 1 0 415.493 4.123 20 30 HIEDRO CC[C@@H](CO)[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)Cc1ccccc1 ZINC000467198096 880927522 /nfs/dbraw/zinc/92/75/22/880927522.db2.gz WXHZCPOWSGCOLF-NRFANRHFSA-N 1 0 422.573 4.303 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)CCCc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000469148121 883244507 /nfs/dbraw/zinc/24/45/07/883244507.db2.gz KXLCCOIUQQNAFG-UHFFFAOYSA-N 1 0 423.344 4.133 20 30 HIEDRO N#Cc1ccc([C@@H]([NH2+]CC2(c3cc(C(F)(F)F)ccc3Cl)CC2)C(N)=O)cc1 ZINC000469216932 883315494 /nfs/dbraw/zinc/31/54/94/883315494.db2.gz IIWCHNQMOGURRY-QGZVFWFLSA-N 1 0 407.823 4.078 20 30 HIEDRO CN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470277313 884638275 /nfs/dbraw/zinc/63/82/75/884638275.db2.gz WGGKSHADFYMGRL-IBGZPJMESA-N 1 0 404.436 4.021 20 30 HIEDRO C=CCc1cc(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000470658313 885082655 /nfs/dbraw/zinc/08/26/55/885082655.db2.gz QKFCAJHKEJITEM-QFIPXVFZSA-N 1 0 408.542 4.169 20 30 HIEDRO CN(C(=O)NCCSCc1ccccc1C#N)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470720762 885166688 /nfs/dbraw/zinc/16/66/88/885166688.db2.gz ZBMJYZHKGUOTLF-HSZRJFAPSA-N 1 0 422.598 4.097 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000470943970 885442416 /nfs/dbraw/zinc/44/24/16/885442416.db2.gz FUHRXKVFEXUZGI-QAPCUYQASA-N 1 0 422.451 4.219 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)NC[C@H](c3cccs3)[NH+]3CCCC3)CC2)cc1 ZINC000504066311 912968726 /nfs/dbraw/zinc/96/87/26/912968726.db2.gz FQSPJOZKLLPNIG-OAQYLSRUSA-N 1 0 406.555 4.256 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000504108849 913019330 /nfs/dbraw/zinc/01/93/30/913019330.db2.gz MYWHCSGHSDAEPJ-QFIPXVFZSA-N 1 0 401.599 4.349 20 30 HIEDRO CCC(CC)(CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[NH2+][C@@H](C)c1ccccc1 ZINC000472157242 886954934 /nfs/dbraw/zinc/95/49/34/886954934.db2.gz MSZNXDLVYMXXAX-CVDCTZTESA-N 1 0 402.542 4.266 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH+]2CCC(C(F)(F)F)CC2)c1C#N ZINC000472242874 887053213 /nfs/dbraw/zinc/05/32/13/887053213.db2.gz PZHRRSZUUXLXNX-UHFFFAOYSA-N 1 0 422.451 4.221 20 30 HIEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CSCc1ccc(C#N)cc1 ZINC000472515355 887384692 /nfs/dbraw/zinc/38/46/92/887384692.db2.gz JXDXYJODLNDOMW-HROJSSOGSA-N 1 0 407.583 4.064 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cc(-c3ccccc3)ccc2Cl)CC1 ZINC000472641348 887506612 /nfs/dbraw/zinc/50/66/12/887506612.db2.gz JPDNPGMXRDBNAU-UHFFFAOYSA-N 1 0 411.933 4.102 20 30 HIEDRO N#Cc1ccc(C2(C(=O)NCCCC[NH+]3CCC(Cc4ccccc4)CC3)CC2)cc1 ZINC000473544783 888283529 /nfs/dbraw/zinc/28/35/29/888283529.db2.gz DHCFDKQNCCNGNJ-UHFFFAOYSA-N 1 0 415.581 4.441 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000473822934 888654926 /nfs/dbraw/zinc/65/49/26/888654926.db2.gz PXIWHKKSJGAOGX-UHFFFAOYSA-N 1 0 420.395 4.411 20 30 HIEDRO C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000473829489 888663567 /nfs/dbraw/zinc/66/35/67/888663567.db2.gz NPKOEXZUQIAPHH-HFSMHLIXSA-N 1 0 412.496 4.433 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(n2c(C)nc3ccccc32)CC1)C(C)C ZINC000474062064 888895522 /nfs/dbraw/zinc/89/55/22/888895522.db2.gz UZDMZORUDZHPKX-DEOSSOPVSA-N 1 0 423.605 4.390 20 30 HIEDRO C=CCOc1ccc(CN(Cc2csc(CC(=O)N(C)C)n2)C(C)(C)C)cc1 ZINC000474160766 888999209 /nfs/dbraw/zinc/99/92/09/888999209.db2.gz UZUDYSCRPGCLAI-UHFFFAOYSA-N 1 0 401.576 4.139 20 30 HIEDRO COc1ccc([C@H](CNC(=O)C[C@@H](CC#N)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000474197521 889035486 /nfs/dbraw/zinc/03/54/86/889035486.db2.gz LSBDFEKMCKXCHX-VWNXMTODSA-N 1 0 405.542 4.426 20 30 HIEDRO N#CCSc1ccccc1NC(=O)C[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000474240979 889087654 /nfs/dbraw/zinc/08/76/54/889087654.db2.gz SQNZSOBYVVYSAM-UHFFFAOYSA-N 1 0 409.555 4.048 20 30 HIEDRO C[NH+]1CCC2(CC1)C[C@@H](NC(=O)C[C@@H](CC#N)c1ccccc1)c1ccccc1O2 ZINC000474787525 889645431 /nfs/dbraw/zinc/64/54/31/889645431.db2.gz KTKGRFHTJRWWBC-IFMALSPDSA-N 1 0 403.526 4.178 20 30 HIEDRO COC(=O)C[C@](C)([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ccncc1 ZINC000475085112 889930643 /nfs/dbraw/zinc/93/06/43/889930643.db2.gz DSOYOUKYIAKXCR-VWLOTQADSA-N 1 0 415.493 4.100 20 30 HIEDRO CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475312400 890227800 /nfs/dbraw/zinc/22/78/00/890227800.db2.gz XZBAFCRSOVECNV-JOCHJYFZSA-N 1 0 412.493 4.092 20 30 HIEDRO C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)C(=O)N1Cc2ccccc2C1 ZINC000475495133 890402160 /nfs/dbraw/zinc/40/21/60/890402160.db2.gz ROOCEJIPSNFGBM-LJQANCHMSA-N 1 0 411.505 4.158 20 30 HIEDRO Cc1cc(C[NH2+][C@@H](CO)c2ccc(Br)cc2C(F)(F)F)ccc1C#N ZINC000475624557 890561109 /nfs/dbraw/zinc/56/11/09/890561109.db2.gz KRRIEPGSYCBCKO-KRWDZBQOSA-N 1 0 413.237 4.471 20 30 HIEDRO C=CCOc1ccc(C[N@H+]2CCC[C@H](N(C)Cc3noc(C)n3)CC2)cc1Cl ZINC000475630511 890570241 /nfs/dbraw/zinc/57/02/41/890570241.db2.gz GFQOSINWXAIJQS-SFHVURJKSA-N 1 0 404.942 4.083 20 30 HIEDRO N#Cc1ccc(-c2nnc(CN3CC[C@]4(C3)CCC[N@H+](Cc3ccccc3)C4)o2)cc1 ZINC000475736632 890676479 /nfs/dbraw/zinc/67/64/79/890676479.db2.gz XPHHRAHUJGMLQS-RUZDIDTESA-N 1 0 413.525 4.096 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(-c2ccccc2)ns1 ZINC000475812989 890747671 /nfs/dbraw/zinc/74/76/71/890747671.db2.gz TWLFBPOEBNCCQF-UHFFFAOYSA-N 1 0 405.527 4.277 20 30 HIEDRO C[C@@H]([NH2+]C1(CNC(=O)c2ccc(C(C)(C)C#N)cc2)CCOCC1)c1ccccc1 ZINC000476055990 890985494 /nfs/dbraw/zinc/98/54/94/890985494.db2.gz OIJVCPDRPSVDDR-LJQANCHMSA-N 1 0 405.542 4.118 20 30 HIEDRO C[N@H+](CCCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)Cc1ccccc1 ZINC000476403894 891319547 /nfs/dbraw/zinc/31/95/47/891319547.db2.gz GTYFAYVUPSZUPI-UHFFFAOYSA-N 1 0 420.557 4.070 20 30 HIEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@@H](CC#N)c1ccccc1 ZINC000476483645 891395252 /nfs/dbraw/zinc/39/52/52/891395252.db2.gz AWSRQQKZHJQYNT-PKTZIBPZSA-N 1 0 405.542 4.293 20 30 HIEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000476903352 891858339 /nfs/dbraw/zinc/85/83/39/891858339.db2.gz NVKPPYFRSAGGBR-UHFFFAOYSA-N 1 0 411.546 4.046 20 30 HIEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000477239453 892182593 /nfs/dbraw/zinc/18/25/93/892182593.db2.gz ULQFKEJCJDLFPD-UHFFFAOYSA-N 1 0 400.400 4.295 20 30 HIEDRO CC[NH+](CC)CCOC1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 ZINC000477396045 892352572 /nfs/dbraw/zinc/35/25/72/892352572.db2.gz VAKKWUCKGYMXIG-UHFFFAOYSA-N 1 0 421.541 4.314 20 30 HIEDRO C[NH+](C)Cc1ccc(CNC(=O)c2ccccc2Oc2ccccc2C#N)cc1F ZINC000478420271 893713209 /nfs/dbraw/zinc/71/32/09/893713209.db2.gz DHRQSPNAHVMJIP-UHFFFAOYSA-N 1 0 403.457 4.481 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cc(OC)ccc1Cl ZINC000478537523 893838379 /nfs/dbraw/zinc/83/83/79/893838379.db2.gz WERCZFDJVGBYPH-UHFFFAOYSA-N 1 0 406.983 4.447 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000478587725 893862291 /nfs/dbraw/zinc/86/22/91/893862291.db2.gz AMDDWKPFOKUILM-LJQANCHMSA-N 1 0 412.578 4.111 20 30 HIEDRO COc1ccc([C@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[NH+]2CCCCC2)cc1 ZINC000505161192 913851743 /nfs/dbraw/zinc/85/17/43/913851743.db2.gz WEACFCSEZLXJFR-QHCPKHFHSA-N 1 0 423.532 4.327 20 30 HIEDRO Cc1c(Br)cccc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479211023 894474107 /nfs/dbraw/zinc/47/41/07/894474107.db2.gz DYUJQAUXSCNHAY-UHFFFAOYSA-N 1 0 412.331 4.046 20 30 HIEDRO CC(C)CN(C)c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479284559 894562838 /nfs/dbraw/zinc/56/28/38/894562838.db2.gz STKYWXPTQHOHPY-UHFFFAOYSA-N 1 0 404.558 4.067 20 30 HIEDRO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479294537 894576356 /nfs/dbraw/zinc/57/63/56/894576356.db2.gz YXGHFHPQJPGDNP-SFHVURJKSA-N 1 0 411.933 4.090 20 30 HIEDRO COc1ccc([C@@H](CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000479817442 895131231 /nfs/dbraw/zinc/13/12/31/895131231.db2.gz JSCHVAVLPFQZBM-HSZRJFAPSA-N 1 0 421.541 4.068 20 30 HIEDRO N#Cc1ccccc1Oc1ccccc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000479843301 895172891 /nfs/dbraw/zinc/17/28/91/895172891.db2.gz SNGZSLWEMZJLOY-UHFFFAOYSA-N 1 0 412.493 4.140 20 30 HIEDRO COc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c(C(F)(F)F)c1 ZINC000479929663 895277128 /nfs/dbraw/zinc/27/71/28/895277128.db2.gz URHTUPUVYKWLEE-UHFFFAOYSA-N 1 0 400.404 4.276 20 30 HIEDRO Cn1cc(C[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000479930370 895279024 /nfs/dbraw/zinc/27/90/24/895279024.db2.gz VYXAHSNXLAOGQN-IBGZPJMESA-N 1 0 405.571 4.022 20 30 HIEDRO Cn1cc(C[NH2+]CCOc2ccccc2C(F)(F)F)c(-c2ccc(C#N)cc2)n1 ZINC000479952742 895306988 /nfs/dbraw/zinc/30/69/88/895306988.db2.gz WYYLKVCPJYATBN-UHFFFAOYSA-N 1 0 400.404 4.146 20 30 HIEDRO Cn1cc(C[NH2+]CC2(c3cccc(Cl)c3)CCOCC2)c(-c2ccc(C#N)cc2)n1 ZINC000479972834 895325857 /nfs/dbraw/zinc/32/58/57/895325857.db2.gz WLTALPRKVAENJB-UHFFFAOYSA-N 1 0 420.944 4.450 20 30 HIEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[NH+](C)C ZINC000480289461 895694490 /nfs/dbraw/zinc/69/44/90/895694490.db2.gz GRYORLUFYBUHGD-ZHRRBRCNSA-N 1 0 420.492 4.004 20 30 HIEDRO C[C@H](O)[C@](C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1 ZINC000480451195 895838613 /nfs/dbraw/zinc/83/86/13/895838613.db2.gz CVQQFSAABNXWDX-CPJSRVTESA-N 1 0 402.542 4.183 20 30 HIEDRO C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481185373 896530435 /nfs/dbraw/zinc/53/04/35/896530435.db2.gz UWVGAVZGJMKEGG-HOIFWPIMSA-N 1 0 410.949 4.039 20 30 HIEDRO C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000481320433 896676065 /nfs/dbraw/zinc/67/60/65/896676065.db2.gz HQCJKEXFSHOASX-WDEREUQCSA-N 1 0 418.353 4.424 20 30 HIEDRO N#Cc1ccsc1NC(=O)C[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000505455610 914124491 /nfs/dbraw/zinc/12/44/91/914124491.db2.gz OFNJOTQLUWIAEH-UHFFFAOYSA-N 1 0 404.333 4.380 20 30 HIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)c1C#N ZINC000481737169 897131843 /nfs/dbraw/zinc/13/18/43/897131843.db2.gz OMHBPSWLCQVLCV-PKTZIBPZSA-N 1 0 422.573 4.147 20 30 HIEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)cc1 ZINC000481759461 897147720 /nfs/dbraw/zinc/14/77/20/897147720.db2.gz XALKSBJMAVAHJH-IBGZPJMESA-N 1 0 402.267 4.139 20 30 HIEDRO N#Cc1cccc(CNC(=O)C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCCC2)c1 ZINC000505463875 914134813 /nfs/dbraw/zinc/13/48/13/914134813.db2.gz GIXGBRPUNIHOIH-UHFFFAOYSA-N 1 0 401.432 4.252 20 30 HIEDRO N#Cc1ccc(CNC(=O)C[NH2+]C2(c3ccc(C(F)(F)F)cc3)CCCC2)cc1 ZINC000505493732 914177629 /nfs/dbraw/zinc/17/76/29/914177629.db2.gz FEBHHXCZPNNVGR-UHFFFAOYSA-N 1 0 401.432 4.252 20 30 HIEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)C2)C1 ZINC000505523185 914214468 /nfs/dbraw/zinc/21/44/68/914214468.db2.gz ZDKYKGHDLIUKKU-DEOSSOPVSA-N 1 0 405.567 4.408 20 30 HIEDRO N#CC1(NC(=O)c2cc3c(cccc3OC(F)F)[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000482643325 898246784 /nfs/dbraw/zinc/24/67/84/898246784.db2.gz VSEKOFPOOKVFMU-UHFFFAOYSA-N 1 0 424.451 4.057 20 30 HIEDRO C=CCCc1ccccc1NC(=O)N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000483136218 898817570 /nfs/dbraw/zinc/81/75/70/898817570.db2.gz PQRBOAUBNVXDAP-XMMPIXPASA-N 1 0 418.585 4.229 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000483356768 898993322 /nfs/dbraw/zinc/99/33/22/898993322.db2.gz KCWTYNIWAUCLKH-QPPBQGQZSA-N 1 0 418.541 4.394 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000483452354 899088410 /nfs/dbraw/zinc/08/84/10/899088410.db2.gz PXUKLIPWQJMDOZ-UHFFFAOYSA-N 1 0 410.562 4.029 20 30 HIEDRO C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505634079 914334310 /nfs/dbraw/zinc/33/43/10/914334310.db2.gz QQGTZPMHCHDMLA-HXOBKFHXSA-N 1 0 403.482 4.151 20 30 HIEDRO CC(C)[C@](C)([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000484336492 899888736 /nfs/dbraw/zinc/88/87/36/899888736.db2.gz ZYAVEPQTPBTFIL-NRFANRHFSA-N 1 0 414.347 4.098 20 30 HIEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccco1 ZINC000484465341 899959450 /nfs/dbraw/zinc/95/94/50/899959450.db2.gz MWPSCABMTZFDQC-WFASDCNBSA-N 1 0 410.396 4.301 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1C#N ZINC000484658811 900102731 /nfs/dbraw/zinc/10/27/31/900102731.db2.gz XGOMBPXPXQCZSF-SFTDATJTSA-N 1 0 408.550 4.000 20 30 HIEDRO Cc1ccc(C[C@@H]([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccccn2)cc1 ZINC000484912342 900289331 /nfs/dbraw/zinc/28/93/31/900289331.db2.gz XNVPTSZTLOOHIQ-JWQCQUIFSA-N 1 0 410.521 4.331 20 30 HIEDRO C=CCOc1ccc(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)cc1 ZINC000505764904 914434708 /nfs/dbraw/zinc/43/47/08/914434708.db2.gz GQUXXUQXEMQMIC-UHFFFAOYSA-N 1 0 407.514 4.318 20 30 HIEDRO C=CCOc1ccc(C(=O)N(C)C2CC[NH+](Cc3ncc(C)c(OC)c3C)CC2)cc1 ZINC000485233996 900519475 /nfs/dbraw/zinc/51/94/75/900519475.db2.gz XMNRRCHTDDZMDA-UHFFFAOYSA-N 1 0 423.557 4.008 20 30 HIEDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485272120 900552566 /nfs/dbraw/zinc/55/25/66/900552566.db2.gz LRECONOXIKRJHC-QHCPKHFHSA-N 1 0 413.525 4.153 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000505866155 914513706 /nfs/dbraw/zinc/51/37/06/914513706.db2.gz MHUCYURAZUCRIT-UHFFFAOYSA-N 1 0 405.542 4.046 20 30 HIEDRO N#Cc1cc(Cl)ccc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000486826320 901879030 /nfs/dbraw/zinc/87/90/30/901879030.db2.gz OVZIVBCUFJGNEB-XMSQKQJNSA-N 1 0 405.889 4.210 20 30 HIEDRO C=CCc1cc(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc(OC)c1OC ZINC000505930946 914582246 /nfs/dbraw/zinc/58/22/46/914582246.db2.gz USZKKKRPZZDFJW-RBUKOAKNSA-N 1 0 400.563 4.159 20 30 HIEDRO Cc1nc(SCC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c(C#N)c(C)c1C ZINC000505953183 914607508 /nfs/dbraw/zinc/60/75/08/914607508.db2.gz LQRIROLNYBVYTF-OXQOHEQNSA-N 1 0 414.619 4.084 20 30 HIEDRO Cc1nc(SCC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)c(C#N)c(C)c1C ZINC000487802519 902373964 /nfs/dbraw/zinc/37/39/64/902373964.db2.gz GNHCOOGTHHRYLJ-HXUWFJFHSA-N 1 0 414.619 4.085 20 30 HIEDRO N#Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cc1Br ZINC000487932715 902463229 /nfs/dbraw/zinc/46/32/29/902463229.db2.gz HYTKEJCIGLAPFX-UHFFFAOYSA-N 1 0 413.319 4.061 20 30 HIEDRO CC(C)(C)C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)C(F)(F)F ZINC000488017301 902537240 /nfs/dbraw/zinc/53/72/40/902537240.db2.gz XYSCLYYMXQMHAC-SFHVURJKSA-N 1 0 410.484 4.143 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000488509070 902863227 /nfs/dbraw/zinc/86/32/27/902863227.db2.gz UUIVINCBGOAXMQ-YKSBVNFPSA-N 1 0 405.542 4.134 20 30 HIEDRO N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000488677937 902939236 /nfs/dbraw/zinc/93/92/36/902939236.db2.gz QMSIZKOZJYFULD-UHFFFAOYSA-N 1 0 411.505 4.434 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(n3cc(Cl)cn3)CC2)c1 ZINC000506016482 914693720 /nfs/dbraw/zinc/69/37/20/914693720.db2.gz CQMVABDPVCOWCB-SFHVURJKSA-N 1 0 413.953 4.126 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 ZINC000489817293 903611656 /nfs/dbraw/zinc/61/16/56/903611656.db2.gz GEXCRYCXTKXVEN-ZBCONREDSA-N 1 0 416.569 4.378 20 30 HIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489850832 903631160 /nfs/dbraw/zinc/63/11/60/903631160.db2.gz VJYPCEWMYOAVTP-YKSBVNFPSA-N 1 0 404.558 4.389 20 30 HIEDRO C[NH+]1CCC(n2ccc(NC(=O)c3ccccc3Oc3ccccc3C#N)n2)CC1 ZINC000490022843 903728288 /nfs/dbraw/zinc/72/82/88/903728288.db2.gz HRVMZAKPRKPVNZ-UHFFFAOYSA-N 1 0 401.470 4.066 20 30 HIEDRO COc1ccc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1OCCCC#N ZINC000506087149 914795741 /nfs/dbraw/zinc/79/57/41/914795741.db2.gz SOHHVSAJHLEFNU-HXUWFJFHSA-N 1 0 408.498 4.486 20 30 HIEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NCc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491039405 904390678 /nfs/dbraw/zinc/39/06/78/904390678.db2.gz QUICXXYNQFQRRX-UHFFFAOYSA-N 1 0 417.582 4.428 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[N@@H+](C)CCCC ZINC000491057168 904400978 /nfs/dbraw/zinc/40/09/78/904400978.db2.gz WAUFRFKUZXXVFH-UHFFFAOYSA-N 1 0 400.336 4.018 20 30 HIEDRO COc1cccc(C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]2CCCO2)c1 ZINC000491109707 904433386 /nfs/dbraw/zinc/43/33/86/904433386.db2.gz AVVJJNYLNXWBCD-DEOSSOPVSA-N 1 0 416.525 4.149 20 30 HIEDRO COc1cccc(C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]2CCCO2)c1 ZINC000491109709 904433772 /nfs/dbraw/zinc/43/37/72/904433772.db2.gz AVVJJNYLNXWBCD-XMMPIXPASA-N 1 0 416.525 4.149 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000491525560 904635598 /nfs/dbraw/zinc/63/55/98/904635598.db2.gz PEHLWVFDJNIDNF-OAQYLSRUSA-N 1 0 406.530 4.032 20 30 HIEDRO N#Cc1ccc(Br)c(C[N@@H+]2CCC[C@H](c3nc(-c4ccccc4)n[nH]3)C2)c1 ZINC000491604774 904671401 /nfs/dbraw/zinc/67/14/01/904671401.db2.gz PGTWXOIKVSMFNP-KRWDZBQOSA-N 1 0 422.330 4.485 20 30 HIEDRO Cn1cc(CN2CCN(Cc3c(F)cccc3Cl)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491942016 904739891 /nfs/dbraw/zinc/73/98/91/904739891.db2.gz RNUHDXQIHWUZSF-UHFFFAOYSA-N 1 0 423.923 4.069 20 30 HIEDRO C=CCN(CCc1ccco1)C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000492153917 904806547 /nfs/dbraw/zinc/80/65/47/904806547.db2.gz CEDNOAHACOWCLW-UHFFFAOYSA-N 1 0 424.545 4.357 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC3(CC2)OCCc2ccsc23)cc1Cl ZINC000492561811 904869239 /nfs/dbraw/zinc/86/92/39/904869239.db2.gz WWIFEFXEUPIREJ-UHFFFAOYSA-N 1 0 415.946 4.166 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccccc3OCc3ccccn3)CC2)cc1 ZINC000506244499 914861103 /nfs/dbraw/zinc/86/11/03/914861103.db2.gz CEGKETCRJRAYIC-UHFFFAOYSA-N 1 0 412.537 4.240 20 30 HIEDRO CN1C(=O)C[C@@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493915536 905267700 /nfs/dbraw/zinc/26/77/00/905267700.db2.gz DVPHKPCMLJDMJJ-APWZRJJASA-N 1 0 423.822 4.014 20 30 HIEDRO C[C@H]1[C@H](NC(=O)c2occc2COc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000494016062 905354826 /nfs/dbraw/zinc/35/48/26/905354826.db2.gz HNEQHLRTCLVWSY-FDDCHVKYSA-N 1 0 415.493 4.123 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)Cc1cc(Br)ccc1Cl ZINC000494278488 905602237 /nfs/dbraw/zinc/60/22/37/905602237.db2.gz AFVLNHGMPKAUIC-UHFFFAOYSA-N 1 0 412.740 4.496 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494493608 905779523 /nfs/dbraw/zinc/77/95/23/905779523.db2.gz JJIDXCNNHMBEOO-BKOMCJNNSA-N 1 0 422.287 4.451 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)N(CCC#N)c1ccccc1 ZINC000494515930 905807216 /nfs/dbraw/zinc/80/72/16/905807216.db2.gz ZTWUZUBWBZNXKW-ONGXBYRLSA-N 1 0 415.896 4.234 20 30 HIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)cc1 ZINC000512532095 921220211 /nfs/dbraw/zinc/22/02/11/921220211.db2.gz LPIXRILTTRVSHZ-UHFFFAOYSA-N 1 0 404.304 4.465 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC000495259247 906345533 /nfs/dbraw/zinc/34/55/33/906345533.db2.gz KOUSUPLMFWEKQD-MJGOQNOKSA-N 1 0 410.331 4.073 20 30 HIEDRO N#Cc1cccc(C2(NC(=O)NCC3CC[NH+](Cc4ccccc4Cl)CC3)CC2)c1 ZINC000495444080 906453668 /nfs/dbraw/zinc/45/36/68/906453668.db2.gz GZHNEZICHTYNCK-UHFFFAOYSA-N 1 0 422.960 4.412 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](Cc2ccccc2)C2CC2)c1C#N ZINC000495481864 906477999 /nfs/dbraw/zinc/47/79/99/906477999.db2.gz WPUJMBSKHZURSW-HSZRJFAPSA-N 1 0 416.525 4.167 20 30 HIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(OCC(F)(F)F)cc3)CC2)c1 ZINC000512605289 921258167 /nfs/dbraw/zinc/25/81/67/921258167.db2.gz ZDMFPADIUPANQU-UHFFFAOYSA-N 1 0 417.431 4.350 20 30 HIEDRO C=C(C)COc1cc(C[NH+]2CCC(C(=O)Nc3ccc(O)cc3)CC2)ccc1OC ZINC000512610007 921260353 /nfs/dbraw/zinc/26/03/53/921260353.db2.gz URQSKYWHWWOSBV-UHFFFAOYSA-N 1 0 410.514 4.206 20 30 HIEDRO COc1ccc(CC[C@H]2CCCC[N@@H+]2Cc2cnc3ccc(C#N)cn23)cc1OC ZINC000512632990 921268560 /nfs/dbraw/zinc/26/85/60/921268560.db2.gz KERPUAOZCKDNBV-HXUWFJFHSA-N 1 0 404.514 4.210 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@@H](c1ccccc1)C(C)C ZINC000497368356 906857803 /nfs/dbraw/zinc/85/78/03/906857803.db2.gz SRPIUFMREYYLLB-HSZRJFAPSA-N 1 0 410.562 4.281 20 30 HIEDRO N#CCCCOc1cccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000512647148 921273514 /nfs/dbraw/zinc/27/35/14/921273514.db2.gz BFDOKGHLRMPMCY-UHFFFAOYSA-N 1 0 402.498 4.092 20 30 HIEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000497633320 907115681 /nfs/dbraw/zinc/11/56/81/907115681.db2.gz LZNHJYJZPRXPAO-LJQANCHMSA-N 1 0 411.546 4.085 20 30 HIEDRO C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000497673172 907174194 /nfs/dbraw/zinc/17/41/94/907174194.db2.gz UTYUNRYQPQSEKD-QGZVFWFLSA-N 1 0 419.529 4.005 20 30 HIEDRO Cn1ccnc1COc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3F)CC2)cc1 ZINC000512812412 921318061 /nfs/dbraw/zinc/31/80/61/921318061.db2.gz TZEQOUKLBSTLES-UHFFFAOYSA-N 1 0 420.488 4.053 20 30 HIEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000498013145 907505862 /nfs/dbraw/zinc/50/58/62/907505862.db2.gz DSRQBDOPCBPKRH-UWJYYQICSA-N 1 0 417.575 4.004 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC2(CC1)OCCc1ccsc12)C(C)C ZINC000498141875 907662941 /nfs/dbraw/zinc/66/29/41/907662941.db2.gz MSBMIRONHUFMFW-HXUWFJFHSA-N 1 0 417.619 4.020 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000498399503 907881201 /nfs/dbraw/zinc/88/12/01/907881201.db2.gz GGQQQUGWNMNDEP-OFNKIYASSA-N 1 0 420.513 4.065 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@@](C)(CO)c2ccc(Br)cc2)cc1OC ZINC000512892279 921385510 /nfs/dbraw/zinc/38/55/10/921385510.db2.gz UVHCQWIUSXXJOO-FQEVSTJZSA-N 1 0 406.320 4.020 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@](C)(CO)c2ccc(Br)cc2)cc1OC ZINC000512892280 921385655 /nfs/dbraw/zinc/38/56/55/921385655.db2.gz UVHCQWIUSXXJOO-HXUWFJFHSA-N 1 0 406.320 4.020 20 30 HIEDRO N#CC1(CCC[NH+]2CCN(C3c4ccccc4-c4ccccc43)CC2)CCOCC1 ZINC000499577168 908845424 /nfs/dbraw/zinc/84/54/24/908845424.db2.gz VPBFUUDPVYKICD-UHFFFAOYSA-N 1 0 401.554 4.475 20 30 HIEDRO COc1ccc([C@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)N2CCOCC2)cc1 ZINC000500012184 909469265 /nfs/dbraw/zinc/46/92/65/909469265.db2.gz UOXKBPNUCWTUEJ-DHWVBAGJSA-N 1 0 419.569 4.062 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@H](C)[C@@H](C)C(=O)Nc2nnc(CC)s2)cc1Cl ZINC000513047245 921506503 /nfs/dbraw/zinc/50/65/03/921506503.db2.gz QJCKSNFUTRSANL-CHWSQXEVSA-N 1 0 408.955 4.072 20 30 HIEDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)CCN1Cc1ccccc1 ZINC000513056415 921512381 /nfs/dbraw/zinc/51/23/81/921512381.db2.gz GSIIRHPEMHWECQ-OIBXWCBGSA-N 1 0 406.549 4.309 20 30 HIEDRO C[C@H]([NH2+]C1(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCOCC1)c1ccccc1 ZINC000500663492 910003205 /nfs/dbraw/zinc/00/32/05/910003205.db2.gz DCFFQZCTYGHUNK-SFHVURJKSA-N 1 0 423.561 4.136 20 30 HIEDRO N#Cc1ccccc1OCc1cccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000513112458 921558550 /nfs/dbraw/zinc/55/85/50/921558550.db2.gz AFJFFGQWZNHMHR-DEOSSOPVSA-N 1 0 411.505 4.142 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1C ZINC000501341210 910478250 /nfs/dbraw/zinc/47/82/50/910478250.db2.gz OMHPYOARCLSYCN-UHFFFAOYSA-N 1 0 421.589 4.275 20 30 HIEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501807559 910857905 /nfs/dbraw/zinc/85/79/05/910857905.db2.gz BBZFLLHXFCPHFH-OAQYLSRUSA-N 1 0 415.459 4.193 20 30 HIEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000513214518 921629921 /nfs/dbraw/zinc/62/99/21/921629921.db2.gz YOFQDTDRVZUPBV-HSZRJFAPSA-N 1 0 403.526 4.228 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)c1cccc(C(F)(F)F)c1 ZINC000502181353 911110344 /nfs/dbraw/zinc/11/03/44/911110344.db2.gz YWRWNKSZJLDOOV-LJQANCHMSA-N 1 0 416.447 4.168 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC000502291698 911248529 /nfs/dbraw/zinc/24/85/29/911248529.db2.gz JKAIBVJEBDZBDY-XMMPIXPASA-N 1 0 400.526 4.022 20 30 HIEDRO N#Cc1cccc(OCCC[N@H+]2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000502310238 911274750 /nfs/dbraw/zinc/27/47/50/911274750.db2.gz COFCEJKSEJGRCK-FQEVSTJZSA-N 1 0 421.545 4.059 20 30 HIEDRO CCCn1nccc1C1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000502308991 911276020 /nfs/dbraw/zinc/27/60/20/911276020.db2.gz JCBMMCLUJNIXCJ-UHFFFAOYSA-N 1 0 402.546 4.450 20 30 HIEDRO COc1cc(C)c(C[C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1OC ZINC000502438700 911421749 /nfs/dbraw/zinc/42/17/49/911421749.db2.gz UYNRFUMMTJSRIE-RPCJCACASA-N 1 0 409.530 4.190 20 30 HIEDRO CC[C@H]1C[C@@]1([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)c1cccc(C)c1 ZINC000502494104 911494139 /nfs/dbraw/zinc/49/41/39/911494139.db2.gz JQEWTKUYWQKKMF-CPJSRVTESA-N 1 0 422.573 4.175 20 30 HIEDRO CC1CC[NH+](C2CCC(NC(=O)NCC#Cc3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000502801352 911820941 /nfs/dbraw/zinc/82/09/41/911820941.db2.gz GYLNCDJOEANNIS-UHFFFAOYSA-N 1 0 421.507 4.399 20 30 HIEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)NCCSCc1ccccc1C#N)c1ccccc1 ZINC000502831327 911843966 /nfs/dbraw/zinc/84/39/66/911843966.db2.gz NKLHSHMTFYELQG-SFHVURJKSA-N 1 0 410.587 4.220 20 30 HIEDRO Cc1cc(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)nn1-c1cccc(C#N)c1 ZINC000503155178 912120507 /nfs/dbraw/zinc/12/05/07/912120507.db2.gz YMHNMGLUPWHTCV-IBGZPJMESA-N 1 0 413.525 4.008 20 30 HIEDRO Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000506282390 914881931 /nfs/dbraw/zinc/88/19/31/914881931.db2.gz WCTHRTRFPFMBGC-UHFFFAOYSA-N 1 0 413.569 4.128 20 30 HIEDRO N#Cc1cccc(OCC[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)c1 ZINC000506495737 915106040 /nfs/dbraw/zinc/10/60/40/915106040.db2.gz QRQQVNLYSOESMG-UHFFFAOYSA-N 1 0 401.869 4.080 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000506916918 915716325 /nfs/dbraw/zinc/71/63/25/915716325.db2.gz KHDZSNPWDMVMEE-ICSRJNTNSA-N 1 0 421.507 4.353 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000506939390 915744369 /nfs/dbraw/zinc/74/43/69/915744369.db2.gz ISSKFAWXWJGSPH-UHFFFAOYSA-N 1 0 406.530 4.299 20 30 HIEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1NCc1cccc(C[NH+]2CCCC2)c1 ZINC000507132516 915882570 /nfs/dbraw/zinc/88/25/70/915882570.db2.gz SUPLETNSHIHMLJ-UHFFFAOYSA-N 1 0 408.452 4.338 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)C[C@H]1OCCc2ccccc21 ZINC000507234260 915992706 /nfs/dbraw/zinc/99/27/06/915992706.db2.gz PWVVRBFQBJNIST-HXUWFJFHSA-N 1 0 409.555 4.073 20 30 HIEDRO C=CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000507256455 916017881 /nfs/dbraw/zinc/01/78/81/916017881.db2.gz CUWLNBMZENPHQT-RPBOFIJWSA-N 1 0 418.581 4.391 20 30 HIEDRO C[N@H+](CCc1cccc2ccccc21)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000507303078 916066841 /nfs/dbraw/zinc/06/68/41/916066841.db2.gz ITNXVOGUUZKKJM-UHFFFAOYSA-N 1 0 409.493 4.010 20 30 HIEDRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507424202 916195872 /nfs/dbraw/zinc/19/58/72/916195872.db2.gz TVSHAOXNJJTBIJ-FOIQADDNSA-N 1 0 417.538 4.231 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@H](c2cccc(F)c2)N2CCOCC2)CC1 ZINC000507579388 916334279 /nfs/dbraw/zinc/33/42/79/916334279.db2.gz KJNXQRWHOFKCTO-OADZCNSWSA-N 1 0 407.533 4.193 20 30 HIEDRO CCOc1cc(C[NH+]2CCC(C)(C#N)CC2)ccc1OCC(=O)Nc1ccccc1 ZINC000507708524 916496682 /nfs/dbraw/zinc/49/66/82/916496682.db2.gz NAIAOFRMXXHEHQ-UHFFFAOYSA-N 1 0 407.514 4.228 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)COc3c(Cl)cccc3Cl)CC2)cc1 ZINC000507861480 916693896 /nfs/dbraw/zinc/69/38/96/916693896.db2.gz QNPJTNCMTWIPOR-MRXNPFEDSA-N 1 0 421.324 4.148 20 30 HIEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000508222379 917041607 /nfs/dbraw/zinc/04/16/07/917041607.db2.gz JXMNNJNYLACNFI-UHFFFAOYSA-N 1 0 420.557 4.153 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000508243647 917061544 /nfs/dbraw/zinc/06/15/44/917061544.db2.gz RVKYPEQDBIFMED-RBUKOAKNSA-N 1 0 406.486 4.107 20 30 HIEDRO C=CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508472157 917256042 /nfs/dbraw/zinc/25/60/42/917256042.db2.gz IWQYWVPCJLYKLB-LEWJYISDSA-N 1 0 409.578 4.286 20 30 HIEDRO C[S@](=O)C[C@@H]([NH2+]Cc1cccc(OCc2ccccc2C#N)c1)c1ccccc1 ZINC000508649429 917414614 /nfs/dbraw/zinc/41/46/14/917414614.db2.gz AWGVXUVEGSXERN-GIGWZHCTSA-N 1 0 404.535 4.347 20 30 HIEDRO C=CCn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508696619 917458546 /nfs/dbraw/zinc/45/85/46/917458546.db2.gz HQKKGGLGSRKRLK-NZQKXSOJSA-N 1 0 421.589 4.113 20 30 HIEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508733665 917493124 /nfs/dbraw/zinc/49/31/24/917493124.db2.gz NMECFHOLOFZTLE-HTAPYJJXSA-N 1 0 402.546 4.066 20 30 HIEDRO C=CCn1c(-c2ccccc2C)nnc1N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000508906721 917662219 /nfs/dbraw/zinc/66/22/19/917662219.db2.gz IEFGACMPZZBAFE-SFTDATJTSA-N 1 0 423.605 4.155 20 30 HIEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)CC[NH+](C(C)C)C(C)C ZINC000508924139 917683077 /nfs/dbraw/zinc/68/30/77/917683077.db2.gz XENBVBUWRYNKEG-VXKWHMMOSA-N 1 0 411.594 4.264 20 30 HIEDRO C=CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508931001 917689826 /nfs/dbraw/zinc/68/98/26/917689826.db2.gz GINGHLNOXMPXFE-QUCCMNQESA-N 1 0 403.530 4.330 20 30 HIEDRO C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000508988342 917741966 /nfs/dbraw/zinc/74/19/66/917741966.db2.gz TVPBZUYKXRDPDN-HSZRJFAPSA-N 1 0 401.558 4.273 20 30 HIEDRO C[C@@H]1C[C@H](CCNC(=O)CSCc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000510195814 918744659 /nfs/dbraw/zinc/74/46/59/918744659.db2.gz VRKYHIFCLJESQO-XXBNENTESA-N 1 0 407.583 4.208 20 30 HIEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C1CCN(Cc2ccccc2)CC1 ZINC000510234094 918774791 /nfs/dbraw/zinc/77/47/91/918774791.db2.gz VLYBIRVBXMZMQK-UHFFFAOYSA-N 1 0 410.949 4.137 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccccc1OC1CCCC1 ZINC000510410975 918880199 /nfs/dbraw/zinc/88/01/99/918880199.db2.gz JBLVYFQZFYJTKS-UHFFFAOYSA-N 1 0 406.530 4.475 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H](c3ccnn3C)C2)cc1OC ZINC000510640963 919083178 /nfs/dbraw/zinc/08/31/78/919083178.db2.gz NSTWZYKFPCBEBC-MRXNPFEDSA-N 1 0 420.351 4.136 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+](CCO)[C@@H]2CCCc3ccccc32)sc2c1CCCC2 ZINC000510695691 919131164 /nfs/dbraw/zinc/13/11/64/919131164.db2.gz DKCJLNZZDQMMPP-OAQYLSRUSA-N 1 0 423.582 4.199 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000510995496 919552778 /nfs/dbraw/zinc/55/27/78/919552778.db2.gz DPNCHCVZXNFPPY-QWJQGLKASA-N 1 0 401.554 4.214 20 30 HIEDRO C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000511048340 919638775 /nfs/dbraw/zinc/63/87/75/919638775.db2.gz OLYZJYTXASCETC-IIBYNOLFSA-N 1 0 415.459 4.289 20 30 HIEDRO C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511271846 919868830 /nfs/dbraw/zinc/86/88/30/919868830.db2.gz XGSPPENFJIBRJQ-LSDHHAIUSA-N 1 0 424.467 4.274 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000511322690 919914640 /nfs/dbraw/zinc/91/46/40/919914640.db2.gz RYGXNBSLMMBARL-RTWAWAEBSA-N 1 0 404.514 4.080 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cc1 ZINC000511391359 919998700 /nfs/dbraw/zinc/99/87/00/919998700.db2.gz OVRUHEFJFFSUMX-IBGZPJMESA-N 1 0 420.557 4.299 20 30 HIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1 ZINC000511755764 920434499 /nfs/dbraw/zinc/43/44/99/920434499.db2.gz SMHDEWBRIONNNN-UHFFFAOYSA-N 1 0 405.477 4.367 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1 ZINC000511793309 920488069 /nfs/dbraw/zinc/48/80/69/920488069.db2.gz QBAWHXSEWWMTKC-SDHSZQHLSA-N 1 0 417.553 4.055 20 30 HIEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000511837665 920546791 /nfs/dbraw/zinc/54/67/91/920546791.db2.gz IIURYDDUQHXDND-NRSPTQNISA-N 1 0 404.432 4.243 20 30 HIEDRO C[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(C#N)cc1 ZINC000512019599 920794820 /nfs/dbraw/zinc/79/48/20/920794820.db2.gz IABXTCURSOWTSV-QRWLVFNGSA-N 1 0 416.447 4.212 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000512151962 920893656 /nfs/dbraw/zinc/89/36/56/920893656.db2.gz JPHBLPLSZUFPFD-FDDCHVKYSA-N 1 0 422.573 4.425 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+]([C@@H](C)c1ccccc1)C1CC1 ZINC000512292561 921047711 /nfs/dbraw/zinc/04/77/11/921047711.db2.gz HPSMZWGDZFKPOJ-IBGZPJMESA-N 1 0 408.546 4.177 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@@H](COc3ccccc3Cl)C2)CC1 ZINC000514003120 922328553 /nfs/dbraw/zinc/32/85/53/922328553.db2.gz HRIXFZYZAMRNJK-GOSISDBHSA-N 1 0 405.970 4.181 20 30 HIEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)cc1 ZINC000514091961 922415107 /nfs/dbraw/zinc/41/51/07/922415107.db2.gz AGERCOIVURMBEG-QGZVFWFLSA-N 1 0 420.509 4.066 20 30 HIEDRO C[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000514100908 922426659 /nfs/dbraw/zinc/42/66/59/922426659.db2.gz YEKQMYGRLNQMJG-KRWDZBQOSA-N 1 0 403.530 4.162 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H]2Cc2ccccc2C)cc1 ZINC000514173833 922510968 /nfs/dbraw/zinc/51/09/68/922510968.db2.gz HRRYNNZUKDCKKA-QHCPKHFHSA-N 1 0 405.542 4.348 20 30 HIEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000514229038 922564317 /nfs/dbraw/zinc/56/43/17/922564317.db2.gz NKZCUDGWVWARLV-LJQANCHMSA-N 1 0 408.521 4.284 20 30 HIEDRO C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000514850679 922824376 /nfs/dbraw/zinc/82/43/76/922824376.db2.gz BWZPJINDRGCZJQ-HOYKHHGWSA-N 1 0 414.553 4.486 20 30 HIEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000515623901 923223377 /nfs/dbraw/zinc/22/33/77/923223377.db2.gz ARLSJCKPHMOWQW-BAGYTPMASA-N 1 0 418.459 4.437 20 30 HIEDRO Fc1ccc(CC2([NH2+]CC#Cc3ccccc3)CCOCC2)c(Br)c1 ZINC000515805711 923362410 /nfs/dbraw/zinc/36/24/10/923362410.db2.gz JPNSTACFNBZVCA-UHFFFAOYSA-N 1 0 402.307 4.321 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@@H](c2cccs2)C(C)(C)CO)ccc1Cl ZINC000515923077 923437440 /nfs/dbraw/zinc/43/74/40/923437440.db2.gz YMOZLXLKJOASGX-FQEVSTJZSA-N 1 0 419.978 4.306 20 30 HIEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000516451113 923739543 /nfs/dbraw/zinc/73/95/43/923739543.db2.gz ANMOPEIUQKFHBO-FQEVSTJZSA-N 1 0 405.542 4.072 20 30 HIEDRO COc1ccc2cc(CN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c3ccc(C#N)cc3)ccc2c1 ZINC000516494439 923759103 /nfs/dbraw/zinc/75/91/03/923759103.db2.gz MZJLCBQBRLRQQB-QZTJIDSGSA-N 1 0 401.510 4.418 20 30 HIEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000516670097 923836760 /nfs/dbraw/zinc/83/67/60/923836760.db2.gz OSSXAXOYTFSJAS-SFHVURJKSA-N 1 0 419.710 4.049 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)CC1 ZINC000517341980 924115939 /nfs/dbraw/zinc/11/59/39/924115939.db2.gz WXFASZJYLAOWPZ-UHFFFAOYSA-N 1 0 402.926 4.021 20 30 HIEDRO C=CCn1c(-c2ccccc2OC)nnc1N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000517439453 924188690 /nfs/dbraw/zinc/18/86/90/924188690.db2.gz VMCOVBLDZOFZFF-UHFFFAOYSA-N 1 0 417.557 4.241 20 30 HIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000517540117 924253984 /nfs/dbraw/zinc/25/39/84/924253984.db2.gz NTLQHGQJWGWPPC-UTKZUKDTSA-N 1 0 415.459 4.192 20 30 HIEDRO C[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000517591966 926701852 /nfs/dbraw/zinc/70/18/52/926701852.db2.gz OELHCYVQAKMIJR-HNAYVOBHSA-N 1 0 404.495 4.241 20 30 HIEDRO C[C@H]([NH2+]CC(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1)c1ccc(C#N)cc1 ZINC000517591967 926702299 /nfs/dbraw/zinc/70/22/99/926702299.db2.gz OELHCYVQAKMIJR-KXBFYZLASA-N 1 0 404.495 4.241 20 30 HIEDRO CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1 ZINC000517605430 926713218 /nfs/dbraw/zinc/71/32/18/926713218.db2.gz YYQKOXPNPXCMDM-FQEVSTJZSA-N 1 0 419.447 4.421 20 30 HIEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517606857 926714212 /nfs/dbraw/zinc/71/42/12/926714212.db2.gz ZLJQTBXEFDUKNV-NRFANRHFSA-N 1 0 419.569 4.177 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000517751433 926821655 /nfs/dbraw/zinc/82/16/55/926821655.db2.gz DXXQJEYQRNUNAF-BJKOFHAPSA-N 1 0 404.558 4.358 20 30 HIEDRO CC[NH+]1CCN(c2ccc(NC3CCN(c4ccc(C#N)cc4)CC3)c(C)c2)CC1 ZINC000517976908 926922510 /nfs/dbraw/zinc/92/25/10/926922510.db2.gz AHCRYBOVTCRPDY-UHFFFAOYSA-N 1 0 403.574 4.090 20 30 HIEDRO CCO[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)C12CCCC2 ZINC000518008125 926948517 /nfs/dbraw/zinc/94/85/17/926948517.db2.gz SJPPEZYFBBWWJU-RTBURBONSA-N 1 0 401.576 4.155 20 30 HIEDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1 ZINC000518264708 927123016 /nfs/dbraw/zinc/12/30/16/927123016.db2.gz MLRQKATZDLARQB-KURKYZTESA-N 1 0 407.518 4.233 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)c1C#N ZINC000518290447 927148038 /nfs/dbraw/zinc/14/80/38/927148038.db2.gz JECDTTXJEVRFRR-HNNXBMFYSA-N 1 0 408.571 4.412 20 30 HIEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000518442883 927275442 /nfs/dbraw/zinc/27/54/42/927275442.db2.gz BIAOVPGXORDKNS-UHFFFAOYSA-N 1 0 403.958 4.104 20 30 HIEDRO C=CC[N@H+](Cc1cc(-c2ccc(C)cc2)no1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518753742 927478238 /nfs/dbraw/zinc/47/82/38/927478238.db2.gz ZXNRZBLLSKPDOZ-SFHVURJKSA-N 1 0 400.486 4.375 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1C#N ZINC000518791694 927494933 /nfs/dbraw/zinc/49/49/33/927494933.db2.gz VCZDQXPYHKPADI-IYBDPMFKSA-N 1 0 400.592 4.040 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]CCOc2ccccc2F)cc1OC ZINC000518802449 927500215 /nfs/dbraw/zinc/50/02/15/927500215.db2.gz FYTWRAMQUGTQCM-UHFFFAOYSA-N 1 0 410.283 4.330 20 30 HIEDRO N#C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccc(C(F)(F)F)c1 ZINC000518849242 927553508 /nfs/dbraw/zinc/55/35/08/927553508.db2.gz VNXRGEGSXQDIBM-YLJYHZDGSA-N 1 0 419.422 4.438 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2ccccc2)Cc2ccc(OC)cc2)CC1 ZINC000519285843 927863963 /nfs/dbraw/zinc/86/39/63/927863963.db2.gz NZDQZCGTCXOBSF-UHFFFAOYSA-N 1 0 407.558 4.448 20 30 HIEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726105 928060474 /nfs/dbraw/zinc/06/04/74/928060474.db2.gz QTOGXSCVEIJGHG-RTWAWAEBSA-N 1 0 424.614 4.146 20 30 HIEDRO CCN(CC)C(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c1 ZINC000519908179 928141170 /nfs/dbraw/zinc/14/11/70/928141170.db2.gz KOVOXVOXUONFRU-UHFFFAOYSA-N 1 0 420.557 4.137 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3c(Cl)cccc3Cl)CC2)cc1 ZINC000520160343 928353264 /nfs/dbraw/zinc/35/32/64/928353264.db2.gz NKPMMBDORFNINI-UHFFFAOYSA-N 1 0 417.340 4.283 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3ccc(F)cc3F)sc2C1 ZINC000520778923 928813117 /nfs/dbraw/zinc/81/31/17/928813117.db2.gz ZOFWDTGBCZNFFB-ZDUSSCGKSA-N 1 0 403.498 4.483 20 30 HIEDRO CC(C)(C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)c1cc(F)cc(C#N)c1 ZINC000521090010 928986914 /nfs/dbraw/zinc/98/69/14/928986914.db2.gz GWBLHZSOVKBJGH-UHFFFAOYSA-N 1 0 419.544 4.490 20 30 HIEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000521169461 929042458 /nfs/dbraw/zinc/04/24/58/929042458.db2.gz PYUFHRFRRMZRSG-UHFFFAOYSA-N 1 0 404.558 4.390 20 30 HIEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000521583537 929311795 /nfs/dbraw/zinc/31/17/95/929311795.db2.gz GUSVNYBZCLVBJA-UHFFFAOYSA-N 1 0 407.562 4.361 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C)nn2-c2cccc(C(F)(F)F)c2)CC1 ZINC000521589136 929314085 /nfs/dbraw/zinc/31/40/85/929314085.db2.gz UPXSBOGXQZAIBM-UHFFFAOYSA-N 1 0 421.467 4.362 20 30 HIEDRO C=CC[N@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000521810854 929467824 /nfs/dbraw/zinc/46/78/24/929467824.db2.gz HJDYWQNBGXYFFS-MRXNPFEDSA-N 1 0 417.435 4.353 20 30 HIEDRO C[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)[N@H+](C)Cc1ccccc1 ZINC000524488425 929635259 /nfs/dbraw/zinc/63/52/59/929635259.db2.gz RTVMBACDKLSOAF-HXUWFJFHSA-N 1 0 413.521 4.388 20 30 HIEDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1cccc(COc2cccc(C#N)c2)c1 ZINC000524521717 929663866 /nfs/dbraw/zinc/66/38/66/929663866.db2.gz BWCZPWCFEVTXNO-UHFFFAOYSA-N 1 0 415.493 4.460 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)nc1 ZINC000524955499 929918310 /nfs/dbraw/zinc/91/83/10/929918310.db2.gz RDRAGJMPINGUFS-UHFFFAOYSA-N 1 0 408.546 4.479 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCCSCc1ccccc1C#N ZINC000525399776 930219944 /nfs/dbraw/zinc/21/99/44/930219944.db2.gz BEDPMJBKELWCBE-HXUWFJFHSA-N 1 0 422.598 4.097 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000525761013 930434299 /nfs/dbraw/zinc/43/42/99/930434299.db2.gz JOXSVTVJHXIIBU-RBUKOAKNSA-N 1 0 409.530 4.468 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000525761344 930434932 /nfs/dbraw/zinc/43/49/32/930434932.db2.gz YCRSRQHHNUIITI-CVEARBPZSA-N 1 0 417.456 4.283 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)c1cc2ccccc2s1 ZINC000525952194 930492678 /nfs/dbraw/zinc/49/26/78/930492678.db2.gz NWZPCQPAQNBJMV-SJLPKXTDSA-N 1 0 424.595 4.022 20 30 HIEDRO Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C#N)c2cccc(Cl)c2Cl)CC1 ZINC000531443190 931058734 /nfs/dbraw/zinc/05/87/34/931058734.db2.gz GHDBVKICCSIJOT-QGZVFWFLSA-N 1 0 403.313 4.294 20 30 HIEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000531553691 931101505 /nfs/dbraw/zinc/10/15/05/931101505.db2.gz LPJHPJMJPNQLMU-DGCLKSJQSA-N 1 0 408.365 4.222 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000531694827 931157152 /nfs/dbraw/zinc/15/71/52/931157152.db2.gz RLDOCZYLSUEIDK-ZJUUUORDSA-N 1 0 404.326 4.177 20 30 HIEDRO COc1ccc(C[NH2+]Cc2ccccc2-n2nc(C)cc2C)cc1OCCCC#N ZINC000532120100 931321103 /nfs/dbraw/zinc/32/11/03/931321103.db2.gz MKVAYQYXGXCVEY-UHFFFAOYSA-N 1 0 404.514 4.470 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]C3CCN(CCc4ccc(F)cc4)CC3)C2)c(F)c1 ZINC000532225900 931361758 /nfs/dbraw/zinc/36/17/58/931361758.db2.gz NXXKVWPIRYCDMD-QHCPKHFHSA-N 1 0 424.539 4.102 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000532578689 931537710 /nfs/dbraw/zinc/53/77/10/931537710.db2.gz PVZUFPWBVBAMME-GOSISDBHSA-N 1 0 422.598 4.033 20 30 HIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000532699586 931593533 /nfs/dbraw/zinc/59/35/33/931593533.db2.gz UZRZDYNRMOYVSF-KZNAEPCWSA-N 1 0 414.619 4.164 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000532709186 931601266 /nfs/dbraw/zinc/60/12/66/931601266.db2.gz RQDHWTVJHCLDQW-GOSISDBHSA-N 1 0 409.555 4.315 20 30 HIEDRO COc1ccc(C[NH+]2CCC(C(=O)Nc3ccc(F)c(Cl)c3)CC2)cc1C#N ZINC000532748382 931620934 /nfs/dbraw/zinc/62/09/34/931620934.db2.gz GRLYPBANGPGIDW-UHFFFAOYSA-N 1 0 401.869 4.210 20 30 HIEDRO COc1cc(OC)c(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)cc1Cl ZINC000532933455 931702936 /nfs/dbraw/zinc/70/29/36/931702936.db2.gz NDRBDKHRUCGXGN-UHFFFAOYSA-N 1 0 415.921 4.326 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000532938707 931704573 /nfs/dbraw/zinc/70/45/73/931704573.db2.gz BXSWTCQAZQXXNE-LEWJYISDSA-N 1 0 403.636 4.095 20 30 HIEDRO C=CCCC[N@@H+](C)CC(=O)Nc1c(Br)cc(C)cc1Br ZINC000532978254 931724050 /nfs/dbraw/zinc/72/40/50/931724050.db2.gz YWOLCFJIMOXVMS-UHFFFAOYSA-N 1 0 404.146 4.357 20 30 HIEDRO CC[N@@H+]1CC[C@H](N(C)Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C[C@@H]1C ZINC000532988380 931728051 /nfs/dbraw/zinc/72/80/51/931728051.db2.gz PHGSPQIOQLCBJZ-CVDCTZTESA-N 1 0 407.558 4.450 20 30 HIEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)CCc1nccs1 ZINC000533140713 931780961 /nfs/dbraw/zinc/78/09/61/931780961.db2.gz PNHGGDVDRKQQFO-UHFFFAOYSA-N 1 0 402.589 4.238 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000533375450 931852711 /nfs/dbraw/zinc/85/27/11/931852711.db2.gz ZHICNSFZXZLGIM-PMACEKPBSA-N 1 0 402.583 4.146 20 30 HIEDRO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(c4c[nH]c5cc(F)ccc54)CC3)C2=O)cc1 ZINC000533423306 931863299 /nfs/dbraw/zinc/86/32/99/931863299.db2.gz JDKWPPLCXCTTAC-HSZRJFAPSA-N 1 0 402.473 4.164 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(OCC3CCCCC3)CC1)CCC2 ZINC000533428411 931865785 /nfs/dbraw/zinc/86/57/85/931865785.db2.gz PCEHXBKRSPFYPF-UHFFFAOYSA-N 1 0 415.603 4.498 20 30 HIEDRO C=CCCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Br)cc1Br ZINC000533436168 931868563 /nfs/dbraw/zinc/86/85/63/931868563.db2.gz FKUSQBFTEWRTHR-LLVKDONJSA-N 1 0 404.146 4.437 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cc1Cl ZINC000533480871 931879886 /nfs/dbraw/zinc/87/98/86/931879886.db2.gz BOACETDXLJQBSS-UHFFFAOYSA-N 1 0 405.889 4.206 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(F)(F)F)cc2Br)CC1 ZINC000533620425 931928279 /nfs/dbraw/zinc/92/82/79/931928279.db2.gz JIZUXXAIFAIXDS-UHFFFAOYSA-N 1 0 406.246 4.240 20 30 HIEDRO C[C@H](Sc1ccc(C#N)cc1Cl)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000533635662 931938115 /nfs/dbraw/zinc/93/81/15/931938115.db2.gz GNGXLJULNZGLSE-INIZCTEOSA-N 1 0 413.974 4.473 20 30 HIEDRO N#Cc1c(NC(=O)C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)sc2c1CCCCC2 ZINC000533646248 931942453 /nfs/dbraw/zinc/94/24/53/931942453.db2.gz LPDRNHVJENWWRM-OAQYLSRUSA-N 1 0 423.582 4.100 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(OCc3ccccc3OC)c2C)CC1 ZINC000534014120 932195457 /nfs/dbraw/zinc/19/54/57/932195457.db2.gz SBVHSNCEOYCQRS-UHFFFAOYSA-N 1 0 409.530 4.355 20 30 HIEDRO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@H]1c1ccccc1 ZINC000534754268 932732271 /nfs/dbraw/zinc/73/22/71/932732271.db2.gz DJKDIOGVYFPIGO-JWQCQUIFSA-N 1 0 411.505 4.312 20 30 HIEDRO CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534970352 932868327 /nfs/dbraw/zinc/86/83/27/932868327.db2.gz AUSVURONVMWCKR-GHTZIAJQSA-N 1 0 414.912 4.185 20 30 HIEDRO C[C@@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000535071792 932897353 /nfs/dbraw/zinc/89/73/53/932897353.db2.gz ZEWXGLBKIXFGKO-VEMGEMFASA-N 1 0 403.570 4.270 20 30 HIEDRO Cc1cnc(CC[N@@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)s1 ZINC000535118760 932935654 /nfs/dbraw/zinc/93/56/54/932935654.db2.gz UMMQTMQIQYHVNO-CYBMUJFWSA-N 1 0 402.589 4.013 20 30 HIEDRO COc1ccc(C#N)cc1NC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535680684 933333354 /nfs/dbraw/zinc/33/33/54/933333354.db2.gz OVFOTJBZRQKRAA-FOIQADDNSA-N 1 0 416.884 4.174 20 30 HIEDRO CC[C@@](C)(COc1ncccc1Cl)[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000536029723 933579514 /nfs/dbraw/zinc/57/95/14/933579514.db2.gz RRXXUPWQAXTQHK-IBGZPJMESA-N 1 0 407.301 4.036 20 30 HIEDRO COc1ccc([C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C2CC2)cc1 ZINC000537287827 933698399 /nfs/dbraw/zinc/69/83/99/933698399.db2.gz QBSLKRDBALPRNI-UZUQRXQVSA-N 1 0 407.514 4.080 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cc(F)cc(Br)c3)CC2)cc1 ZINC000537295204 933702181 /nfs/dbraw/zinc/70/21/81/933702181.db2.gz KHVYGJBRZGEZOR-UHFFFAOYSA-N 1 0 402.311 4.214 20 30 HIEDRO C[C@H]([NH2+]C[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1)c1ccc(C#N)cc1 ZINC000537297569 933703227 /nfs/dbraw/zinc/70/32/27/933703227.db2.gz WVZJDDCHXUSRDO-VWKPWSFCSA-N 1 0 401.913 4.463 20 30 HIEDRO C[C@@H]([NH2+]C[C@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1)c1ccc(C#N)cc1 ZINC000537297570 933703273 /nfs/dbraw/zinc/70/32/73/933703273.db2.gz WVZJDDCHXUSRDO-WHSLLNHNSA-N 1 0 401.913 4.463 20 30 HIEDRO CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 ZINC000537391308 933752905 /nfs/dbraw/zinc/75/29/05/933752905.db2.gz DEJROPWSAIFUEB-UHFFFAOYSA-N 1 0 408.933 4.289 20 30 HIEDRO C[C@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000563316878 945177776 /nfs/dbraw/zinc/17/77/76/945177776.db2.gz ZHCOGHMPADKSKQ-LIRRHRJNSA-N 1 0 420.435 4.312 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)NCc1ccc(-c2ccccc2C#N)cc1)c1cccs1 ZINC000538079075 938497035 /nfs/dbraw/zinc/49/70/35/938497035.db2.gz YZHKXONOYUZKTD-OAQYLSRUSA-N 1 0 404.539 4.389 20 30 HIEDRO C=CCCC[C@H](C)[NH+]1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 ZINC000538096851 938501308 /nfs/dbraw/zinc/50/13/08/938501308.db2.gz WQDCMMUZGCUYJI-INIZCTEOSA-N 1 0 400.592 4.138 20 30 HIEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)c1ccc(Cl)cc1 ZINC000538128157 938513098 /nfs/dbraw/zinc/51/30/98/938513098.db2.gz JDGBSQPREQMBSR-HXUWFJFHSA-N 1 0 416.953 4.346 20 30 HIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)c1 ZINC000538127954 938513367 /nfs/dbraw/zinc/51/33/67/938513367.db2.gz BXGXTSYRCUZMMA-MRXNPFEDSA-N 1 0 412.921 4.204 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(NC(=O)c2ccccc2)c1 ZINC000538130329 938514690 /nfs/dbraw/zinc/51/46/90/938514690.db2.gz ZFYDKGQIUPXSII-SFHVURJKSA-N 1 0 412.493 4.490 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1cccc(-n2cccn2)c1 ZINC000538186190 938542851 /nfs/dbraw/zinc/54/28/51/938542851.db2.gz CRNMEVAZWWRHSS-ZWKOTPCHSA-N 1 0 419.554 4.413 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000538211588 938558116 /nfs/dbraw/zinc/55/81/16/938558116.db2.gz UUCAOECSAHXKNS-KRWDZBQOSA-N 1 0 409.555 4.381 20 30 HIEDRO C[C@H]([NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1cccc(C#N)c1 ZINC000538395566 938610802 /nfs/dbraw/zinc/61/08/02/938610802.db2.gz PHRDJXKYSWITSH-KKSFZXQISA-N 1 0 403.448 4.301 20 30 HIEDRO C[C@@H]1C[NH+](Cc2cccc(NC3CC[NH+](Cc4ccc(C#N)cc4)CC3)c2)C[C@@H](C)O1 ZINC000538591102 938657128 /nfs/dbraw/zinc/65/71/28/938657128.db2.gz XPAFBPPADITUQP-NHCUHLMSSA-N 1 0 418.585 4.244 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccc(OC)c(OC)c2)C2CCCCC2)CC1 ZINC000538811301 938718907 /nfs/dbraw/zinc/71/89/07/938718907.db2.gz GUKDCUKTUKAMBZ-UHFFFAOYSA-N 1 0 415.578 4.199 20 30 HIEDRO C=CCOc1ccccc1C[N@H+]1CCCN(Cc2csc([C@@H](C)OC)n2)CC1 ZINC000538812891 938719332 /nfs/dbraw/zinc/71/93/32/938719332.db2.gz NLUBNYDNJBMWFV-GOSISDBHSA-N 1 0 401.576 4.123 20 30 HIEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCCCOc1cccc(C#N)c1 ZINC000538886509 938730697 /nfs/dbraw/zinc/73/06/97/938730697.db2.gz VEILEFYVBIOTEN-UHFFFAOYSA-N 1 0 420.557 4.267 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(Cc3cccnc3)CC2)c1 ZINC000538945753 938744011 /nfs/dbraw/zinc/74/40/11/938744011.db2.gz NIIYFTDITVOLML-OAQYLSRUSA-N 1 0 404.558 4.288 20 30 HIEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000539214284 938819648 /nfs/dbraw/zinc/81/96/48/938819648.db2.gz GQDQBPJMSDQRSW-QGZVFWFLSA-N 1 0 405.523 4.448 20 30 HIEDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)ccc1OC(C)C ZINC000539252437 938826428 /nfs/dbraw/zinc/82/64/28/938826428.db2.gz FGVIRVIDYRNYBL-AWEZNQCLSA-N 1 0 401.894 4.297 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2-n2cccn2)c1 ZINC000539259166 938828671 /nfs/dbraw/zinc/82/86/71/938828671.db2.gz ONRRMICPLQHUQM-NHCUHLMSSA-N 1 0 415.541 4.475 20 30 HIEDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1OC ZINC000539269288 938830629 /nfs/dbraw/zinc/83/06/29/938830629.db2.gz SYTCMDZSEHAPGV-LJQANCHMSA-N 1 0 409.530 4.308 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000539304754 938837759 /nfs/dbraw/zinc/83/77/59/938837759.db2.gz WBBJOXVKYGMZJJ-XFAGBWLFSA-N 1 0 411.521 4.498 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(-c2ccncc2)cc1 ZINC000539337881 938844446 /nfs/dbraw/zinc/84/44/46/938844446.db2.gz XQXREEKPSOLZJP-SFHVURJKSA-N 1 0 422.492 4.095 20 30 HIEDRO CC[C@@H]1Oc2cc([C@H](C)[NH2+]CC#Cc3ccc(OC(F)(F)F)cc3)ccc2NC1=O ZINC000539359171 938848169 /nfs/dbraw/zinc/84/81/69/938848169.db2.gz FAKIPEYKBIROJX-LIRRHRJNSA-N 1 0 418.415 4.397 20 30 HIEDRO COc1ccc(S(=O)(=O)Nc2cccc(C[NH2+][C@H](C)c3cccc(C#N)c3)c2)cc1 ZINC000539495182 938868613 /nfs/dbraw/zinc/86/86/13/938868613.db2.gz HBHRPQMGFCZWJL-QGZVFWFLSA-N 1 0 421.522 4.218 20 30 HIEDRO Cc1cc(C[C@H](C)[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)n(-c2ccccc2)n1 ZINC000539510518 938871069 /nfs/dbraw/zinc/87/10/69/938871069.db2.gz FPVSXIGPHPVDHX-FQEVSTJZSA-N 1 0 413.569 4.238 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1ccc(C#N)c(F)c1 ZINC000539608406 938887523 /nfs/dbraw/zinc/88/75/23/938887523.db2.gz JVZHOCUYDFIKDT-AWEZNQCLSA-N 1 0 418.310 4.159 20 30 HIEDRO N#Cc1ccc(OCc2ccc(C(=O)NC3CC[NH+](CC4CCCC4)CC3)o2)cc1 ZINC000539792070 938935815 /nfs/dbraw/zinc/93/58/15/938935815.db2.gz SCNGGBDWGNMHGT-UHFFFAOYSA-N 1 0 407.514 4.115 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CC[C@@H](C[NH+](CC)CC)C2)cc1OC ZINC000539850958 938957605 /nfs/dbraw/zinc/95/76/05/938957605.db2.gz JLTRLGUATUBJAE-INIZCTEOSA-N 1 0 411.384 4.186 20 30 HIEDRO COc1ccc(OC)c(NC(=O)C[C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000540185828 939110373 /nfs/dbraw/zinc/11/03/73/939110373.db2.gz BNADXAOMMHAILK-HNNXBMFYSA-N 1 0 420.431 4.081 20 30 HIEDRO CC(C)Oc1ccccc1[C@H](C)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000540325355 939194986 /nfs/dbraw/zinc/19/49/86/939194986.db2.gz CUDSQSINRWJHPM-KRWDZBQOSA-N 1 0 418.459 4.311 20 30 HIEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccccc2C(C)(C)C#N)cc1 ZINC000540342937 939200603 /nfs/dbraw/zinc/20/06/03/939200603.db2.gz QHQTVOSQIIEKDX-GOSISDBHSA-N 1 0 413.587 4.369 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cccc(-n3cccn3)c2)c1 ZINC000540386809 939222715 /nfs/dbraw/zinc/22/27/15/939222715.db2.gz ZYZMYTKLTQNVBB-FQEVSTJZSA-N 1 0 401.514 4.087 20 30 HIEDRO CC(C)[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1Cl ZINC000540390343 939228898 /nfs/dbraw/zinc/22/88/98/939228898.db2.gz OIHNTSUTEQFKQV-NRFANRHFSA-N 1 0 407.905 4.323 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+]C1(c3ccc4c(c3)OCO4)CC1)CCCCC2 ZINC000540429197 939245536 /nfs/dbraw/zinc/24/55/36/939245536.db2.gz DMBHACWVPMOMAU-UHFFFAOYSA-N 1 0 423.538 4.225 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(-n2cccn2)cc1 ZINC000540440165 939251084 /nfs/dbraw/zinc/25/10/84/939251084.db2.gz QGIFLBGUPAJNEI-INIZCTEOSA-N 1 0 419.554 4.364 20 30 HIEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1)c1ccccc1 ZINC000540459710 939260354 /nfs/dbraw/zinc/26/03/54/939260354.db2.gz XYXBHYZJWOJZJJ-JOCHJYFZSA-N 1 0 423.582 4.111 20 30 HIEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000540468978 939264757 /nfs/dbraw/zinc/26/47/57/939264757.db2.gz AYZDYMVPCSGNBY-OAQYLSRUSA-N 1 0 405.889 4.077 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)CC2)cc1 ZINC000540591097 939312859 /nfs/dbraw/zinc/31/28/59/939312859.db2.gz GLYDHRRMJXEUKG-RUZDIDTESA-N 1 0 403.526 4.035 20 30 HIEDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1cccc(C#N)c1 ZINC000540595047 939313988 /nfs/dbraw/zinc/31/39/88/939313988.db2.gz MPHMFRNPYZQQDW-MRXNPFEDSA-N 1 0 409.486 4.349 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(COCC(F)(F)F)cc3)CC2)cc1 ZINC000540597497 939314947 /nfs/dbraw/zinc/31/49/47/939314947.db2.gz SVJFWXBRCJBPSN-UHFFFAOYSA-N 1 0 417.475 4.391 20 30 HIEDRO COc1ccccc1[C@@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)[NH+]1CCCCC1 ZINC000540780407 939369996 /nfs/dbraw/zinc/36/99/96/939369996.db2.gz AYEXTYHABUEIKS-JOCHJYFZSA-N 1 0 403.526 4.207 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@@H](CO)c2ccccc2C)c1C#N ZINC000541054228 939443823 /nfs/dbraw/zinc/44/38/23/939443823.db2.gz KSTFJYUFBPTDBG-QFIPXVFZSA-N 1 0 408.546 4.052 20 30 HIEDRO C[NH+](C)Cc1c2ccccc2oc1C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000541138839 939474168 /nfs/dbraw/zinc/47/41/68/939474168.db2.gz AAEBIWIGULLPRC-UHFFFAOYSA-N 1 0 419.872 4.457 20 30 HIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@H](C)c2cnn(C(C)C)c2)c1C#N ZINC000541644594 939584328 /nfs/dbraw/zinc/58/43/28/939584328.db2.gz JHRPKZQYTMPBPC-GOSISDBHSA-N 1 0 418.545 4.092 20 30 HIEDRO N#Cc1ccc(-n2ccc(NC(=O)C3CC[NH+](Cc4ccccc4)CC3)n2)c(Cl)c1 ZINC000542069793 939702469 /nfs/dbraw/zinc/70/24/69/939702469.db2.gz PQXQDPNIQCOVGY-UHFFFAOYSA-N 1 0 419.916 4.248 20 30 HIEDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000542146435 939730385 /nfs/dbraw/zinc/73/03/85/939730385.db2.gz GJYGCTBKMUYGCN-MDMXATFFSA-N 1 0 406.530 4.213 20 30 HIEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000542406124 939816010 /nfs/dbraw/zinc/81/60/10/939816010.db2.gz ZSCUTPNSMIHPTJ-WOJBJXKFSA-N 1 0 416.569 4.389 20 30 HIEDRO CC[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000542420017 939818526 /nfs/dbraw/zinc/81/85/26/939818526.db2.gz YPJDQTHAAAWQBQ-HSZRJFAPSA-N 1 0 402.542 4.069 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529813 939838098 /nfs/dbraw/zinc/83/80/98/939838098.db2.gz UEIHPWCDWZZWQL-QRVBRYPASA-N 1 0 414.619 4.119 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529814 939838130 /nfs/dbraw/zinc/83/81/30/939838130.db2.gz UEIHPWCDWZZWQL-QYZOEREBSA-N 1 0 414.619 4.119 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)C(C)C ZINC000542535661 939839416 /nfs/dbraw/zinc/83/94/16/939839416.db2.gz WFGOLOVYSUBUDL-VSKRKVRLSA-N 1 0 403.542 4.044 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934044 939881217 /nfs/dbraw/zinc/88/12/17/939881217.db2.gz GVAKHDGJDZHAAP-MGPUTAFESA-N 1 0 401.432 4.429 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)CC1 ZINC000544404336 940413955 /nfs/dbraw/zinc/41/39/55/940413955.db2.gz CDHDFSLQYDSKIJ-UHFFFAOYSA-N 1 0 407.440 4.053 20 30 HIEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000544419921 940419609 /nfs/dbraw/zinc/41/96/09/940419609.db2.gz PREZGGNAKSSHGP-QUCCMNQESA-N 1 0 420.479 4.367 20 30 HIEDRO COc1ccccc1C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C(C)C ZINC000544461070 940441091 /nfs/dbraw/zinc/44/10/91/940441091.db2.gz GSRLFSWKTRDXOJ-PGRDOPGGSA-N 1 0 411.521 4.326 20 30 HIEDRO Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)c3ccc(C#N)cc3F)nc12 ZINC000546227161 940735705 /nfs/dbraw/zinc/73/57/05/940735705.db2.gz BZXDQKPHSJWNFF-ZDUSSCGKSA-N 1 0 401.283 4.309 20 30 HIEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCOC(C)(C)C1 ZINC000564007885 945347844 /nfs/dbraw/zinc/34/78/44/945347844.db2.gz QWWMUCWRWPVVLQ-MRXNPFEDSA-N 1 0 403.592 4.497 20 30 HIEDRO C[N@H+](CCC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C1CCCCC1 ZINC000548715293 941121127 /nfs/dbraw/zinc/12/11/27/941121127.db2.gz BKOSUKRGKCVBBZ-UHFFFAOYSA-N 1 0 404.514 4.404 20 30 HIEDRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)[N@@H+]2CCC(C#N)(c2ccccc2)c2ccccc2)O1 ZINC000548934635 941130508 /nfs/dbraw/zinc/13/05/08/941130508.db2.gz MNBFOJPWGRTNFB-CDIGIKMISA-N 1 0 418.537 4.070 20 30 HIEDRO COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)[N@@H+]2CCC(C#N)(c2ccccc2)c2ccccc2)O1 ZINC000548934638 941130543 /nfs/dbraw/zinc/13/05/43/941130543.db2.gz MNBFOJPWGRTNFB-UQAQOTMJSA-N 1 0 418.537 4.070 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(C#N)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000548936063 941131017 /nfs/dbraw/zinc/13/10/17/941131017.db2.gz JCSBCKSFFJNZEV-ZIAGYGMSSA-N 1 0 421.482 4.268 20 30 HIEDRO CCN1CC[C@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549110854 941160757 /nfs/dbraw/zinc/16/07/57/941160757.db2.gz JPXMSDYBGBEBBQ-UNMCSNQZSA-N 1 0 414.912 4.104 20 30 HIEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000549248016 941173902 /nfs/dbraw/zinc/17/39/02/941173902.db2.gz IHHLTGZHPOIYDY-LJQANCHMSA-N 1 0 404.562 4.315 20 30 HIEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000549249609 941174050 /nfs/dbraw/zinc/17/40/50/941174050.db2.gz GHHNZPNMBPBVHU-GGAORHGYSA-N 1 0 416.573 4.340 20 30 HIEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000549265484 941175291 /nfs/dbraw/zinc/17/52/91/941175291.db2.gz CEGOBXLXOKVPID-OAQYLSRUSA-N 1 0 408.594 4.173 20 30 HIEDRO FC(F)(F)Oc1ccc(C#CC[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)cc1 ZINC000549403916 941186691 /nfs/dbraw/zinc/18/66/91/941186691.db2.gz IXHWTKWLPKQGCP-UHFFFAOYSA-N 1 0 412.415 4.182 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000549902710 941234106 /nfs/dbraw/zinc/23/41/06/941234106.db2.gz XCOSVDFGMPZGBH-UONOGXRCSA-N 1 0 411.868 4.214 20 30 HIEDRO CC1CC[NH+]([C@@H](CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)c2ccccc2)CC1 ZINC000549932023 941241475 /nfs/dbraw/zinc/24/14/75/941241475.db2.gz ONTNJGMUNHLPCC-IBGZPJMESA-N 1 0 416.447 4.175 20 30 HIEDRO C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1=O ZINC000550292263 941310113 /nfs/dbraw/zinc/31/01/13/941310113.db2.gz UDCVAVXDNMIZMP-WZONZLPQSA-N 1 0 409.505 4.350 20 30 HIEDRO CC[NH+](CC)Cc1cccc(CNC(=O)Nc2cc(C#N)ccc2OC(F)F)c1 ZINC000551412617 941472850 /nfs/dbraw/zinc/47/28/50/941472850.db2.gz ZCOFASSROVDWRJ-UHFFFAOYSA-N 1 0 402.445 4.323 20 30 HIEDRO COCC[C@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1ccc(Cl)c(Cl)c1 ZINC000551424065 941476207 /nfs/dbraw/zinc/47/62/07/941476207.db2.gz VLJUPALVJYOIGQ-KRWDZBQOSA-N 1 0 410.301 4.381 20 30 HIEDRO CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)s1 ZINC000552089738 941583145 /nfs/dbraw/zinc/58/31/45/941583145.db2.gz UJGIYPMKRKYGSM-ASJKOTLKSA-N 1 0 411.575 4.057 20 30 HIEDRO COc1ccccc1CC[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000552197153 941600154 /nfs/dbraw/zinc/60/01/54/941600154.db2.gz CVJPQNPGQSYVAH-INIZCTEOSA-N 1 0 411.571 4.256 20 30 HIEDRO N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000552200041 941601064 /nfs/dbraw/zinc/60/10/64/941601064.db2.gz SFUURTBESGXAAQ-NRFANRHFSA-N 1 0 413.477 4.169 20 30 HIEDRO CCc1nc2ccccc2n1C1CC[NH+](CCOc2ccc(C#N)cc2OC)CC1 ZINC000552835550 941782175 /nfs/dbraw/zinc/78/21/75/941782175.db2.gz RDRLTKXZHXBZOX-UHFFFAOYSA-N 1 0 404.514 4.195 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]C3CCC4(CC3)C(=O)Nc3ccccc34)CC2)nc1 ZINC000552931483 941805431 /nfs/dbraw/zinc/80/54/31/941805431.db2.gz OZXPCAPGADYANU-UHFFFAOYSA-N 1 0 416.525 4.066 20 30 HIEDRO CC(C)[C@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000552947058 941806467 /nfs/dbraw/zinc/80/64/67/941806467.db2.gz HOYWFUYJABRRCI-CTNGQTDRSA-N 1 0 406.448 4.498 20 30 HIEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H](Cc2cccc(F)c2)c2cccc(F)c2)cc1 ZINC000553312402 941865480 /nfs/dbraw/zinc/86/54/80/941865480.db2.gz FWQPZFAVMXMZNB-NOZRDPDXSA-N 1 0 422.475 4.344 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000553409212 941880639 /nfs/dbraw/zinc/88/06/39/941880639.db2.gz OUNHCTLEDKAZTG-JKSUJKDBSA-N 1 0 408.571 4.386 20 30 HIEDRO CC(C)(C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1cc(F)cc(C#N)c1 ZINC000553510186 941899434 /nfs/dbraw/zinc/89/94/34/941899434.db2.gz WTLFLIFQQWZHBE-RUZDIDTESA-N 1 0 405.517 4.100 20 30 HIEDRO N#Cc1cc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)ccc1OCC(F)(F)F ZINC000553675126 941942533 /nfs/dbraw/zinc/94/25/33/941942533.db2.gz PBEMSOYBLIINJG-SFHVURJKSA-N 1 0 403.404 4.102 20 30 HIEDRO C=CCn1c(-c2ccccn2)nnc1N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000554930590 942323963 /nfs/dbraw/zinc/32/39/63/942323963.db2.gz MXKUYWXGZPZWGD-FPOVZHCZSA-N 1 0 402.546 4.188 20 30 HIEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)cc1 ZINC000555070669 942376003 /nfs/dbraw/zinc/37/60/03/942376003.db2.gz GLTHGOHXPXKOMN-TZIWHRDSSA-N 1 0 404.432 4.252 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000555572413 942649181 /nfs/dbraw/zinc/64/91/81/942649181.db2.gz ORRVSYSDPAREOK-GOSISDBHSA-N 1 0 416.562 4.172 20 30 HIEDRO COc1ccc(C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)c2ccccc2)cc1OC ZINC000556596796 942910431 /nfs/dbraw/zinc/91/04/31/942910431.db2.gz UFQAACWJBVKJMF-QFIPXVFZSA-N 1 0 412.493 4.297 20 30 HIEDRO Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)C(C)(C)Oc3ccc(C#N)cc3)C2)s1 ZINC000556829576 942937469 /nfs/dbraw/zinc/93/74/69/942937469.db2.gz PVJMAYYOMRCYLL-IBGZPJMESA-N 1 0 411.571 4.066 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000556914058 942964484 /nfs/dbraw/zinc/96/44/84/942964484.db2.gz XZSSZNGGPZWFOM-IBGZPJMESA-N 1 0 414.571 4.277 20 30 HIEDRO N#Cc1ccc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000557430862 943122057 /nfs/dbraw/zinc/12/20/57/943122057.db2.gz IAUHDKLBNWLFLC-NRFANRHFSA-N 1 0 416.550 4.322 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000557453096 943135791 /nfs/dbraw/zinc/13/57/91/943135791.db2.gz ZNBFWLHOOPFREW-FQEVSTJZSA-N 1 0 415.607 4.450 20 30 HIEDRO N#Cc1cccc(C2(NC(=O)NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)CC2)c1 ZINC000557453947 943136702 /nfs/dbraw/zinc/13/67/02/943136702.db2.gz BQCVZDFBUQRJAP-OAQYLSRUSA-N 1 0 408.933 4.337 20 30 HIEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccco1 ZINC000557910239 943326693 /nfs/dbraw/zinc/32/66/93/943326693.db2.gz QVBIKOAQLRGLQW-VQIMIIECSA-N 1 0 407.470 4.182 20 30 HIEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccco1 ZINC000557910236 943326801 /nfs/dbraw/zinc/32/68/01/943326801.db2.gz QVBIKOAQLRGLQW-APWZRJJASA-N 1 0 407.470 4.182 20 30 HIEDRO N#Cc1ccc(N2CC[C@@H]([NH+]3CCC(c4c[nH]c5ccc(F)cc54)CC3)C2=O)cc1 ZINC000558175022 943410395 /nfs/dbraw/zinc/41/03/95/943410395.db2.gz FYMWXSRXCFBDJS-HSZRJFAPSA-N 1 0 402.473 4.164 20 30 HIEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000558286267 943483815 /nfs/dbraw/zinc/48/38/15/943483815.db2.gz GKFUWDVVHDSERQ-YADARESESA-N 1 0 418.541 4.422 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(CCCn3ccnc3)CC2)c(-c2ccccc2)n1 ZINC000558422996 943556175 /nfs/dbraw/zinc/55/61/75/943556175.db2.gz ZQEHEQKOKLPKKB-UHFFFAOYSA-N 1 0 402.546 4.353 20 30 HIEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]CC2(c3cccc(Cl)c3)CCCC2)c1 ZINC000558718131 943632209 /nfs/dbraw/zinc/63/22/09/943632209.db2.gz KCZJJIRIVJPOIO-UHFFFAOYSA-N 1 0 402.947 4.087 20 30 HIEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc32)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000558986081 943788550 /nfs/dbraw/zinc/78/85/50/943788550.db2.gz LVJVHLXKZHNNAT-UHFFFAOYSA-N 1 0 404.562 4.457 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000559000381 943797699 /nfs/dbraw/zinc/79/76/99/943797699.db2.gz DYALQZXOGCIJIR-MOPGFXCFSA-N 1 0 415.557 4.301 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(-n2cccn2)c(F)c1 ZINC000559312027 943894504 /nfs/dbraw/zinc/89/45/04/943894504.db2.gz NEPFJCKTESYVOK-SJORKVTESA-N 1 0 423.467 4.136 20 30 HIEDRO C[C@@H](c1ccccc1F)N1CCC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1=O ZINC000559323483 943896367 /nfs/dbraw/zinc/89/63/67/943896367.db2.gz JWXGHALFZRIEED-FDDCHVKYSA-N 1 0 409.505 4.350 20 30 HIEDRO Fc1cccc(CC2([NH2+]CC#Cc3ccc(OC(F)(F)F)cc3)CCOCC2)c1 ZINC000559331207 943897016 /nfs/dbraw/zinc/89/70/16/943897016.db2.gz FKQGVPYRFGXNBF-UHFFFAOYSA-N 1 0 407.407 4.457 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000559758333 944045708 /nfs/dbraw/zinc/04/57/08/944045708.db2.gz DFNHFHVHQJDHFI-OAHLLOKOSA-N 1 0 415.525 4.156 20 30 HIEDRO Cc1cc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)ccc1OCC[NH+]1CCCC1 ZINC000559912313 944083067 /nfs/dbraw/zinc/08/30/67/944083067.db2.gz ZHXGPGCPUKPZGC-UHFFFAOYSA-N 1 0 418.419 4.007 20 30 HIEDRO N#Cc1ccc(C(F)(F)F)nc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000560255838 944208622 /nfs/dbraw/zinc/20/86/22/944208622.db2.gz AZGINBHBNRBWSL-UHFFFAOYSA-N 1 0 400.448 4.465 20 30 HIEDRO N#Cc1cccc(OC2CCN(Cc3cc4c(cc3Br)OCO4)CC2)c1 ZINC000560675952 944290302 /nfs/dbraw/zinc/29/03/02/944290302.db2.gz TWHYNBDZUYYFLW-UHFFFAOYSA-N 1 0 415.287 4.093 20 30 HIEDRO C[NH+]1CCC(Oc2ccc(CNc3ccc(C#N)cc3Br)cc2)CC1 ZINC000561348944 944558953 /nfs/dbraw/zinc/55/89/53/944558953.db2.gz OUHBFEHSYYQBRQ-UHFFFAOYSA-N 1 0 400.320 4.406 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c(C)c1OC ZINC000561928273 944860760 /nfs/dbraw/zinc/86/07/60/944860760.db2.gz CCBUQEFTQFFIKK-SJORKVTESA-N 1 0 413.493 4.137 20 30 HIEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)c1ccco1 ZINC000562086312 944930548 /nfs/dbraw/zinc/93/05/48/944930548.db2.gz ATXQMJJPANAHBX-XJKSGUPXSA-N 1 0 424.423 4.343 20 30 HIEDRO COC(=O)c1cccc(NC2CC[NH+](Cc3cccc(OCCCC#N)c3)CC2)c1 ZINC000564318404 945512623 /nfs/dbraw/zinc/51/26/23/945512623.db2.gz XGZGEZUUNDXMSX-UHFFFAOYSA-N 1 0 407.514 4.232 20 30 HIEDRO N#Cc1ccc(C[NH2+]C[C@@H](CO)Cc2c(F)cccc2Cl)c(C(F)(F)F)c1 ZINC000564409936 945562310 /nfs/dbraw/zinc/56/23/10/945562310.db2.gz FQFYPLJXWLHWHT-ZDUSSCGKSA-N 1 0 400.803 4.310 20 30 HIEDRO CC(C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1Cc1ccccc1 ZINC000564615819 945708011 /nfs/dbraw/zinc/70/80/11/945708011.db2.gz VOKJNJWOKABOEU-UHFFFAOYSA-N 1 0 414.557 4.034 20 30 HIEDRO N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccc(-n4ccnc4)c(Cl)c3)C2)c(F)c1 ZINC000565262603 945794394 /nfs/dbraw/zinc/79/43/94/945794394.db2.gz JUUYOXGGGFUUHO-HNNXBMFYSA-N 1 0 409.852 4.001 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)c1ccc(C#N)cc1 ZINC000565367844 945817460 /nfs/dbraw/zinc/81/74/60/945817460.db2.gz IWAGCSDIHKQKNL-DNVCBOLYSA-N 1 0 404.495 4.241 20 30 HIEDRO C[NH+](C)CCN(Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1F ZINC000566587782 946050825 /nfs/dbraw/zinc/05/08/25/946050825.db2.gz GAUCAIAPGQWDHK-UHFFFAOYSA-N 1 0 405.521 4.167 20 30 HIEDRO CCOC(=O)c1c(C)c2ccccc2nc1CN(C)CCOCc1ccc(C#N)cc1 ZINC000566789233 946099258 /nfs/dbraw/zinc/09/92/58/946099258.db2.gz VKDXBOQPNSYWLY-UHFFFAOYSA-N 1 0 417.509 4.240 20 30 HIEDRO COc1c(Br)cc(C[NH2+]CCc2cccc(C#N)c2)cc1Br ZINC000567296899 946301017 /nfs/dbraw/zinc/30/10/17/946301017.db2.gz YTKDLEIQDYWWMO-UHFFFAOYSA-N 1 0 424.136 4.424 20 30 HIEDRO C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)NCCc2cccc(C#N)c2)cc1 ZINC000567499854 946352116 /nfs/dbraw/zinc/35/21/16/946352116.db2.gz UMKFSELUCOFXDB-UHFFFAOYSA-N 1 0 412.537 4.329 20 30 HIEDRO Cc1nc(-c2ccc([C@@H](C)[NH2+]C[C@H](O)COc3ccc(CC#N)cc3)cc2)cs1 ZINC000568307895 946497775 /nfs/dbraw/zinc/49/77/75/946497775.db2.gz DEOYWNJATWUQLU-IERDGZPVSA-N 1 0 407.539 4.275 20 30 HIEDRO CC[C@H]([NH2+]Cc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1)c1ccc(C#N)cc1 ZINC000568333703 946514140 /nfs/dbraw/zinc/51/41/40/946514140.db2.gz KWYDYCRCAAPJPX-NRFANRHFSA-N 1 0 402.498 4.168 20 30 HIEDRO N#CC1(CS(=O)(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)CCC1 ZINC000569172873 946831583 /nfs/dbraw/zinc/83/15/83/946831583.db2.gz UDCSGPWPIOFIML-UHFFFAOYSA-N 1 0 423.582 4.063 20 30 HIEDRO C[C@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000569424899 946874417 /nfs/dbraw/zinc/87/44/17/946874417.db2.gz UOKMYCVMLGXSIE-FTRWYGJKSA-N 1 0 409.555 4.193 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)Cc2ccc(Br)o2)c1 ZINC000570542550 947282445 /nfs/dbraw/zinc/28/24/45/947282445.db2.gz QQEQTUIVGXDKMW-INIZCTEOSA-N 1 0 418.335 4.426 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000573046650 948070006 /nfs/dbraw/zinc/07/00/06/948070006.db2.gz FVYZWDYETITASD-WIYYLYMNSA-N 1 0 406.530 4.474 20 30 HIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)CC2 ZINC000573143624 948087031 /nfs/dbraw/zinc/08/70/31/948087031.db2.gz UJTHASQZHUNKJZ-FCHUYYIVSA-N 1 0 415.459 4.227 20 30 HIEDRO C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000573392076 948179847 /nfs/dbraw/zinc/17/98/47/948179847.db2.gz JXDTUCGASRLBRI-IBGZPJMESA-N 1 0 406.578 4.181 20 30 HIEDRO COc1ccc(C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1OCCCC#N ZINC000573883753 948319684 /nfs/dbraw/zinc/31/96/84/948319684.db2.gz JMBRZHYPQJBYEX-DNVJHFABSA-N 1 0 406.526 4.382 20 30 HIEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1ccc(C#N)cc1C(F)(F)F ZINC000574245583 948397830 /nfs/dbraw/zinc/39/78/30/948397830.db2.gz AMCURGPIADYUNW-FQEVSTJZSA-N 1 0 402.464 4.459 20 30 HIEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000575017395 948573460 /nfs/dbraw/zinc/57/34/60/948573460.db2.gz WOEBCVVMXZEFJD-DFBJGRDBSA-N 1 0 411.505 4.382 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)c1C ZINC000575766402 948697853 /nfs/dbraw/zinc/69/78/53/948697853.db2.gz VHABZNWJXZXXGW-UHFFFAOYSA-N 1 0 423.532 4.071 20 30 HIEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](c2c[nH]c3ccccc32)c2ccccc2)cc1 ZINC000006949609 569188434 /nfs/dbraw/zinc/18/84/34/569188434.db2.gz GVEICCSPGYMWGR-QPPBQGQZSA-N 1 0 411.505 4.201 20 30 HIEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(Cl)c(F)cc1C#N)CC2 ZINC001164844251 720660814 /nfs/dbraw/zinc/66/08/14/720660814.db2.gz ZJZBJKLVGKXBRN-SFHVURJKSA-N 1 0 414.912 4.006 20 30 HIEDRO Cc1c(Cl)c(Cl)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1C#N ZINC001164857008 720938956 /nfs/dbraw/zinc/93/89/56/720938956.db2.gz FBXRXMPJMNDFER-CYBMUJFWSA-N 1 0 407.349 4.186 20 30 HIEDRO CC(C)[N@H+](C)Cc1cnc2n1CCN(c1nc3c(cc1C#N)CCCC3(C)C)[C@@H]2C ZINC001164858051 721020349 /nfs/dbraw/zinc/02/03/49/721020349.db2.gz FNHVJDQLBMJXQK-QGZVFWFLSA-N 1 0 406.578 4.185 20 30 HIEDRO N#Cc1cc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc2ccc(Cl)cc12 ZINC001164904722 721563499 /nfs/dbraw/zinc/56/34/99/721563499.db2.gz FLIPNTITNFIPSL-AZUAARDMSA-N 1 0 422.891 4.241 20 30 HIEDRO N#CC1(c2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2)CCC1 ZINC001164908548 721703712 /nfs/dbraw/zinc/70/37/12/721703712.db2.gz XVQJXBNIIWWJKF-QHCPKHFHSA-N 1 0 423.511 4.160 20 30 HIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(C#N)c(Cl)cc3Cl)C[C@H]21 ZINC001165020612 721829165 /nfs/dbraw/zinc/82/91/65/721829165.db2.gz CTQHISDORWMBTO-YYFZDKIDSA-N 1 0 416.356 4.392 20 30 HIEDRO CCCc1cc(C#N)c(N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)nc1Cl ZINC001164955848 722018803 /nfs/dbraw/zinc/01/88/03/722018803.db2.gz PFSGQHISTZQTAP-UHFFFAOYSA-N 1 0 409.965 4.447 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000436043026 861333056 /nfs/dbraw/zinc/33/30/56/861333056.db2.gz SLBWWSKHXSLIHH-UHFFFAOYSA-N 1 0 413.525 4.021 20 30 HIEDRO Cc1ccc(NC(=S)C(C(=O)c2ccc(C)c(C)c2)[n+]2cccc(CO)c2)cc1 ZINC000007611372 845373008 /nfs/dbraw/zinc/37/30/08/845373008.db2.gz CVRRAAHYWOCCLZ-UHFFFAOYSA-O 1 0 405.543 4.443 20 30 HIEDRO COc1ccccc1NC(=S)C(C(=O)c1cc(C)ccc1C)[n+]1cccc(CO)c1 ZINC000010118276 845621043 /nfs/dbraw/zinc/62/10/43/845621043.db2.gz JVBFLYBTXHCDBV-UHFFFAOYSA-O 1 0 421.542 4.143 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C ZINC000436288419 861593696 /nfs/dbraw/zinc/59/36/96/861593696.db2.gz FEIYKMAVLULVKE-QDSKXPNFSA-N 1 0 413.583 4.367 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000436290388 861595714 /nfs/dbraw/zinc/59/57/14/861595714.db2.gz IIJFYXREVMEZRX-XGRCMKMKSA-N 1 0 421.509 4.029 20 30 HIEDRO N#Cc1cccc(NC(=O)CC[N@@H+](CCCO)Cc2ccc(Cl)c(Cl)c2)c1 ZINC000436356583 861684549 /nfs/dbraw/zinc/68/45/49/861684549.db2.gz BLHULZMTPYFLAM-UHFFFAOYSA-N 1 0 406.313 4.078 20 30 HIEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000022476689 846576238 /nfs/dbraw/zinc/57/62/38/846576238.db2.gz MZKJGPSEAQVDCS-UHFFFAOYSA-N 1 0 400.444 4.473 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2ccc(C(C)C)cc2)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000022691865 846603929 /nfs/dbraw/zinc/60/39/29/846603929.db2.gz QZBPFQYIARMPSX-NRFANRHFSA-O 1 0 411.591 4.367 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2cc(C)c(C)cc2C)C(=S)NC[C@H]2CCCO2)cc1 ZINC000022691287 846604423 /nfs/dbraw/zinc/60/44/23/846604423.db2.gz IUQCXHXDCIAGCS-HXUWFJFHSA-O 1 0 411.591 4.169 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1ccc(Cl)cc1Cl)C(=S)NCCOC ZINC000022791659 846621001 /nfs/dbraw/zinc/62/10/01/846621001.db2.gz YZXRGODYQPRUCQ-UHFFFAOYSA-O 1 0 412.362 4.018 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000022795673 846621881 /nfs/dbraw/zinc/62/18/81/846621881.db2.gz RPHALPNKDQAXFI-UHFFFAOYSA-O 1 0 412.535 4.284 20 30 HIEDRO CCC(CC)c1cc[n+](C(C(=O)c2ccc(F)cc2F)C(=S)NCCOC)cc1 ZINC000022793594 846621956 /nfs/dbraw/zinc/62/19/56/846621956.db2.gz DYKGDLOTYWTYMR-UHFFFAOYSA-O 1 0 421.533 4.331 20 30 HIEDRO C=CCn1c(=S)n(CN2CC[NH+](Cc3cccc4ccccc43)CC2)nc1C1CC1 ZINC000023475275 846704648 /nfs/dbraw/zinc/70/46/48/846704648.db2.gz RXZTYXAIXNZYTH-UHFFFAOYSA-N 1 0 419.598 4.406 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)NC2CC2)[n+]2ccc(Cc3ccccc3)cc2)c(C)[nH]1 ZINC000023580467 846723143 /nfs/dbraw/zinc/72/31/43/846723143.db2.gz RZUYJQFUJFQYMB-UHFFFAOYSA-O 1 0 404.559 4.201 20 30 HIEDRO N#CCCn1cc(C[NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)c(-c2ccccc2)n1 ZINC000436407881 861755983 /nfs/dbraw/zinc/75/59/83/861755983.db2.gz IXRLIGXVVVMGEL-QUCCMNQESA-N 1 0 406.452 4.037 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC000028350016 847410433 /nfs/dbraw/zinc/41/04/33/847410433.db2.gz GSMLEIJXUZKZJQ-KGLIPLIRSA-N 1 0 410.905 4.238 20 30 HIEDRO CC(=O)c1c(C)[nH]c(C(=O)C(C(=S)NC2CC2)[n+]2ccc(C(C)(C)C)cc2)c1C ZINC000028694337 847449049 /nfs/dbraw/zinc/44/90/49/847449049.db2.gz HLEPVQRRHTWWET-UHFFFAOYSA-O 1 0 412.579 4.110 20 30 HIEDRO CC(=O)c1c(C)[nH]c(C(=O)C(C(=S)Nc2ccc(F)cc2)[n+]2ccccc2)c1C ZINC000028793609 847461575 /nfs/dbraw/zinc/46/15/75/847461575.db2.gz QWEDKGUJHMITLM-UHFFFAOYSA-O 1 0 410.494 4.312 20 30 HIEDRO C[N@H+](CCOc1ccccc1Cl)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000028890691 847472822 /nfs/dbraw/zinc/47/28/22/847472822.db2.gz ZQLLVHMKHARMEJ-UHFFFAOYSA-N 1 0 403.935 4.101 20 30 HIEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)C(c1ccccc1)c1ccccc1 ZINC000030531842 847730619 /nfs/dbraw/zinc/73/06/19/847730619.db2.gz HIXQXTMCYVUNIN-RDPSFJRHSA-N 1 0 400.522 4.303 20 30 HIEDRO CCOc1ccc([C@@H]([NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000030537105 847731914 /nfs/dbraw/zinc/73/19/14/847731914.db2.gz GYIHVPJFGGOEFW-RDGATRHJSA-N 1 0 402.494 4.076 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3cccc4c5c([nH]c43)CCCC5)CC2)cc1 ZINC000045141070 848637741 /nfs/dbraw/zinc/63/77/41/848637741.db2.gz ULOXJLJXXDQSLD-UHFFFAOYSA-N 1 0 412.537 4.266 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CC=C(c2c[nH]c3ncccc23)CC1)C(C)C ZINC000046905582 848956243 /nfs/dbraw/zinc/95/62/43/848956243.db2.gz FGOAUKHRSVUZDC-JOCHJYFZSA-N 1 0 407.562 4.060 20 30 HIEDRO CCOc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1Cl ZINC000047601442 849082303 /nfs/dbraw/zinc/08/23/03/849082303.db2.gz UFFKUGCXVPCVIH-UHFFFAOYSA-N 1 0 412.921 4.350 20 30 HIEDRO CCCC(=O)Nc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000047715700 849096902 /nfs/dbraw/zinc/09/69/02/849096902.db2.gz WSWXLNFCOMMLHE-UHFFFAOYSA-N 1 0 419.529 4.037 20 30 HIEDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCCSCc1ccccc1C#N ZINC000048103994 849166794 /nfs/dbraw/zinc/16/67/94/849166794.db2.gz HGHZFPDCCKUNLO-UHFFFAOYSA-N 1 0 410.587 4.131 20 30 HIEDRO CC(C)[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(F)cc1 ZINC000054000818 849792602 /nfs/dbraw/zinc/79/26/02/849792602.db2.gz VLAOOKVIVCJNKX-HSZRJFAPSA-N 1 0 408.521 4.312 20 30 HIEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207122 850283497 /nfs/dbraw/zinc/28/34/97/850283497.db2.gz LCXQNXHTLQXUPJ-ROUUACIJSA-N 1 0 409.505 4.318 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000056983814 850529657 /nfs/dbraw/zinc/52/96/57/850529657.db2.gz IGQDAMPADRIVAH-UHFFFAOYSA-N 1 0 403.526 4.228 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(N2CCCC2=O)ccc1Cl)C(C)C ZINC000058034459 850755501 /nfs/dbraw/zinc/75/55/01/850755501.db2.gz HYFPEDYAUYAXNT-FQEVSTJZSA-N 1 0 418.969 4.287 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+](Cc2ccco2)C[C@@H]2CCCO2)sc2c1CCCC2 ZINC000060090329 851039966 /nfs/dbraw/zinc/03/99/66/851039966.db2.gz ZHXIQXAACMJZKK-KRWDZBQOSA-N 1 0 413.543 4.101 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)ccc1OC ZINC000060947665 851255010 /nfs/dbraw/zinc/25/50/10/851255010.db2.gz ZUCAIWJHHMECNG-UHFFFAOYSA-N 1 0 412.505 4.184 20 30 HIEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3cccc(OCCCC#N)c3)cc2)CC1 ZINC000061166275 851308647 /nfs/dbraw/zinc/30/86/47/851308647.db2.gz LBEWSQMSWNJEID-UHFFFAOYSA-N 1 0 406.530 4.152 20 30 HIEDRO CC1CC[NH+](Cc2ccc(CNC(=O)CSCc3ccc(C#N)cc3)cc2)CC1 ZINC000061467843 851385092 /nfs/dbraw/zinc/38/50/92/851385092.db2.gz MQTVKTJCTAFFGX-UHFFFAOYSA-N 1 0 407.583 4.340 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000062372644 851531454 /nfs/dbraw/zinc/53/14/54/851531454.db2.gz HCSKJQDBRNRFJR-UHFFFAOYSA-N 1 0 406.408 4.053 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000062407214 851544222 /nfs/dbraw/zinc/54/42/22/851544222.db2.gz GUXKXPZFFFJYKF-UHFFFAOYSA-N 1 0 416.472 4.219 20 30 HIEDRO C=CC[N@@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cccc([N+](=O)[O-])c1 ZINC000063288194 851652538 /nfs/dbraw/zinc/65/25/38/851652538.db2.gz NJDVERVKEYRWAD-UHFFFAOYSA-N 1 0 410.499 4.033 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000063400360 851678099 /nfs/dbraw/zinc/67/80/99/851678099.db2.gz HASIAWKVKPLCKH-QHCPKHFHSA-N 1 0 418.541 4.102 20 30 HIEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1cccc(N2CCCC2=O)c1 ZINC000437075066 862271093 /nfs/dbraw/zinc/27/10/93/862271093.db2.gz IJKCOJJVDYHEDG-RYHLMMNBSA-N 1 0 404.514 4.121 20 30 HIEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000063777164 851760484 /nfs/dbraw/zinc/76/04/84/851760484.db2.gz KTVIGKCCIGYYIG-UHFFFAOYSA-N 1 0 405.546 4.061 20 30 HIEDRO CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437090851 862281605 /nfs/dbraw/zinc/28/16/05/862281605.db2.gz BODMLUVFHZSCKM-MDMXATFFSA-N 1 0 406.530 4.213 20 30 HIEDRO C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437109111 862296427 /nfs/dbraw/zinc/29/64/27/862296427.db2.gz WEFUIMOWECUTMB-MYWSLZCHSA-N 1 0 412.921 4.304 20 30 HIEDRO COc1ccc(C[NH2+]C2CCN(Cc3ccccc3C)CC2)cc1OCCCC#N ZINC000064614119 851940577 /nfs/dbraw/zinc/94/05/77/851940577.db2.gz BTUZVFKNGAGTSL-UHFFFAOYSA-N 1 0 407.558 4.440 20 30 HIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064644266 851945859 /nfs/dbraw/zinc/94/58/59/851945859.db2.gz YAXXSNUOVMAIJS-NRFANRHFSA-N 1 0 410.587 4.454 20 30 HIEDRO COc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000064719927 851966572 /nfs/dbraw/zinc/96/65/72/851966572.db2.gz KJXIPEYQLBLNCU-UHFFFAOYSA-N 1 0 420.435 4.181 20 30 HIEDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000065444745 852134911 /nfs/dbraw/zinc/13/49/11/852134911.db2.gz ZWJBKGVBXXPRBE-CQSZACIVSA-N 1 0 412.456 4.131 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3ccccc3N3CCOCC3)c2)c1 ZINC000065934691 852323901 /nfs/dbraw/zinc/32/39/01/852323901.db2.gz HFWRUGKMTXEHFY-UHFFFAOYSA-N 1 0 413.521 4.264 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(C#N)cc1 ZINC000065936668 852325068 /nfs/dbraw/zinc/32/50/68/852325068.db2.gz TVZIWUUMANJHHF-UHFFFAOYSA-N 1 0 401.963 4.035 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1Cl ZINC000071818037 852411463 /nfs/dbraw/zinc/41/14/63/852411463.db2.gz YRJGYSOAACJTIO-LJQANCHMSA-N 1 0 411.889 4.149 20 30 HIEDRO CCC[NH+]1CCC(NC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000097595691 852642314 /nfs/dbraw/zinc/64/23/14/852642314.db2.gz WUFZQKMJQUHANY-UHFFFAOYSA-N 1 0 406.530 4.328 20 30 HIEDRO Cc1ccc(C)c(OCCCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000109038591 852913398 /nfs/dbraw/zinc/91/33/98/852913398.db2.gz XPUWPEUSRLFSPV-UHFFFAOYSA-N 1 0 419.569 4.459 20 30 HIEDRO Cc1cccc(C(C)C)c1NC(=O)CON=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000110181280 853070021 /nfs/dbraw/zinc/07/00/21/853070021.db2.gz RWDNZVGGDXGGJA-UHFFFAOYSA-N 1 0 422.573 4.380 20 30 HIEDRO CC(C)C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)C[C@@H](O)c1ccc(F)cc1 ZINC000112654581 853236889 /nfs/dbraw/zinc/23/68/89/853236889.db2.gz VVZGOLHQNKKXIJ-OAQYLSRUSA-N 1 0 417.912 4.371 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@H+]2CC=C(c3ccc(O)cc3)CC2)sc2c1CCCC2 ZINC000139945347 853428186 /nfs/dbraw/zinc/42/81/86/853428186.db2.gz ZFFRVTMLBMNWTB-UHFFFAOYSA-N 1 0 407.539 4.322 20 30 HIEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCc1ccccc1C[NH+]1CCCC1 ZINC000195603448 853708935 /nfs/dbraw/zinc/70/89/35/853708935.db2.gz GGXBIYMSMKTMLC-UHFFFAOYSA-N 1 0 415.459 4.152 20 30 HIEDRO CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000236681676 853911490 /nfs/dbraw/zinc/91/14/90/853911490.db2.gz OVONXEXNAZDMEX-OFNKIYASSA-N 1 0 405.542 4.310 20 30 HIEDRO CC(C)C(=O)Nc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000236839887 853927638 /nfs/dbraw/zinc/92/76/38/853927638.db2.gz YTGVWYLCPJXYIK-UHFFFAOYSA-N 1 0 401.514 4.348 20 30 HIEDRO CCOc1c(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(C)nn1CC(C)C ZINC000237026890 853953736 /nfs/dbraw/zinc/95/37/36/853953736.db2.gz DTJIFUZPRHKOQB-IBGZPJMESA-N 1 0 413.541 4.016 20 30 HIEDRO C=CCc1cc(C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)cc(OC)c1O ZINC000237291391 853999730 /nfs/dbraw/zinc/99/97/30/853999730.db2.gz BOHQSDYJNNKPQL-UHFFFAOYSA-N 1 0 422.319 4.199 20 30 HIEDRO COc1cc(C[NH2+]Cc2ccc(C#N)cc2F)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000237306486 854002771 /nfs/dbraw/zinc/00/27/71/854002771.db2.gz VTVMXJVISCGJAG-UHFFFAOYSA-N 1 0 421.428 4.483 20 30 HIEDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC(F)F ZINC000237324173 854006922 /nfs/dbraw/zinc/00/69/22/854006922.db2.gz AWYPDZXRXHLVFY-MRXNPFEDSA-N 1 0 405.420 4.066 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)ccc1OC ZINC000237332327 854007584 /nfs/dbraw/zinc/00/75/84/854007584.db2.gz XQPMEUCUZISTMU-GOSISDBHSA-N 1 0 400.906 4.199 20 30 HIEDRO C=CCc1cc(C[NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc(OC)c1O ZINC000237386386 854019345 /nfs/dbraw/zinc/01/93/45/854019345.db2.gz IHNUMEAARSRSTA-GOSISDBHSA-N 1 0 423.557 4.236 20 30 HIEDRO COc1cccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1OC(F)F ZINC000237424787 854030520 /nfs/dbraw/zinc/03/05/20/854030520.db2.gz ZCBNLTNZWKRZTK-INIZCTEOSA-N 1 0 405.420 4.066 20 30 HIEDRO COc1ccc(C2(C[NH2+]Cc3cnc4ccc(C#N)cn34)CCCCC2)cc1OC ZINC000237509729 854047366 /nfs/dbraw/zinc/04/73/66/854047366.db2.gz JRHGHWLUHYTKTM-UHFFFAOYSA-N 1 0 404.514 4.215 20 30 HIEDRO C[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000237597864 854060788 /nfs/dbraw/zinc/06/07/88/854060788.db2.gz QTVCHYITJRPEKE-KRWDZBQOSA-N 1 0 413.477 4.319 20 30 HIEDRO C[C@H](C#N)Oc1ccc(CNc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)cc1 ZINC000237609863 854061718 /nfs/dbraw/zinc/06/17/18/854061718.db2.gz OZRARJSLOKBUCL-LJQANCHMSA-N 1 0 406.530 4.404 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)c(F)c1 ZINC000237713826 854081738 /nfs/dbraw/zinc/08/17/38/854081738.db2.gz CICRGJLIBMZYHF-IRLDBZIGSA-N 1 0 409.505 4.014 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3csc(COc4ccccc4)n3)C2)c(F)c1 ZINC000237715327 854081883 /nfs/dbraw/zinc/08/18/83/854081883.db2.gz HHHAQSUXIXGFKZ-SFHVURJKSA-N 1 0 422.529 4.491 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCc2nc(-c3ccccn3)cs2)c(-c2ccccc2)n1 ZINC000237830506 854105715 /nfs/dbraw/zinc/10/57/15/854105715.db2.gz BPJAFDFPFGYXJO-UHFFFAOYSA-N 1 0 414.538 4.315 20 30 HIEDRO CCCc1cc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)NC(C)(C)C)cc1 ZINC000298791393 854280894 /nfs/dbraw/zinc/28/08/94/854280894.db2.gz AQMZXOZABAYUOM-UHFFFAOYSA-O 1 0 400.524 4.162 20 30 HIEDRO C[C@@H]1C[NH+](Cc2ccc(CNc3nc(C(F)(F)F)ccc3C#N)cc2)C[C@@H](C)O1 ZINC000301252119 854340022 /nfs/dbraw/zinc/34/00/22/854340022.db2.gz CKRPVRRDYSDDOD-HUUCEWRRSA-N 1 0 404.436 4.193 20 30 HIEDRO Cc1nnc(NC[C@H]2CCC[N@@H+](C)[C@@H]2c2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000301295768 854350454 /nfs/dbraw/zinc/35/04/54/854350454.db2.gz RNYBTZXPVVRCSU-VQIMIIECSA-N 1 0 403.452 4.479 20 30 HIEDRO Cc1cc(F)cc2c1ncc(C#N)c2N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000301570380 854421786 /nfs/dbraw/zinc/42/17/86/854421786.db2.gz XQNKPMOQFBKJPZ-UHFFFAOYSA-N 1 0 404.489 4.191 20 30 HIEDRO N#CCCn1cc(C(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)c2ccccc21 ZINC000302813799 854643680 /nfs/dbraw/zinc/64/36/80/854643680.db2.gz PMGOODDFSPBHBB-OAQYLSRUSA-N 1 0 415.493 4.346 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000303083721 854753696 /nfs/dbraw/zinc/75/36/96/854753696.db2.gz AMZMNTXEDFSVKN-UHFFFAOYSA-N 1 0 408.502 4.353 20 30 HIEDRO C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[NH+](CCCCC#N)CC1 ZINC000303149766 854786439 /nfs/dbraw/zinc/78/64/39/854786439.db2.gz VLQJEJLOZKUPKX-HNNXBMFYSA-N 1 0 407.440 4.128 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)CC1 ZINC000303257769 854838595 /nfs/dbraw/zinc/83/85/95/854838595.db2.gz HEUMUKQNVFWVQZ-UHFFFAOYSA-N 1 0 409.477 4.138 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1Cl ZINC000303373195 854897151 /nfs/dbraw/zinc/89/71/51/854897151.db2.gz LZSJGDOAYHIXQK-UHFFFAOYSA-N 1 0 407.905 4.296 20 30 HIEDRO Cc1ccc(C[C@H](C)NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000303379776 854901265 /nfs/dbraw/zinc/90/12/65/854901265.db2.gz VNAVMNYOCDOZRJ-NRFANRHFSA-N 1 0 404.558 4.024 20 30 HIEDRO Cc1ccc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(COc3ccccc3)CC2)cc1 ZINC000303534322 855020969 /nfs/dbraw/zinc/02/09/69/855020969.db2.gz RYQQXQYXQRPCPD-NRFANRHFSA-N 1 0 405.542 4.421 20 30 HIEDRO C=CCOc1ccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1OC ZINC000303560562 855039338 /nfs/dbraw/zinc/03/93/38/855039338.db2.gz XHYWVVURPXVGQS-FRIKZZABSA-N 1 0 406.526 4.185 20 30 HIEDRO C[C@H]1C[C@H](N(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000303779075 855194202 /nfs/dbraw/zinc/19/42/02/855194202.db2.gz SDPOVJBERWJIEU-LAUBAEHRSA-N 1 0 410.949 4.135 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)c1 ZINC000303872284 855262146 /nfs/dbraw/zinc/26/21/46/855262146.db2.gz GEARXOZGZFPGIV-OAHLLOKOSA-N 1 0 418.488 4.015 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCCc2ccc(F)c(Br)c2)cc1Cl ZINC000303880417 855266409 /nfs/dbraw/zinc/26/64/09/855266409.db2.gz KGMDIBIYVADDME-UHFFFAOYSA-N 1 0 400.679 4.220 20 30 HIEDRO [NH2+]=C(NCc1ccccc1-c1ccc(Cn2cncn2)cc1)Nc1ccc2c(c1)CCC2 ZINC000303881282 855267605 /nfs/dbraw/zinc/26/76/05/855267605.db2.gz KSRKPUAYDOXBOJ-UHFFFAOYSA-N 1 0 422.536 4.409 20 30 HIEDRO CCc1ccc(NC(=[NH2+])NC[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1 ZINC000303885558 855269985 /nfs/dbraw/zinc/26/99/85/855269985.db2.gz NIAQFOBGHPVZRB-INIZCTEOSA-N 1 0 401.352 4.265 20 30 HIEDRO Cc1ccc(NC(=[NH2+])NC[C@H]2CCN(c3cccc(Br)c3)C2)cc1C ZINC000303897399 855275855 /nfs/dbraw/zinc/27/58/55/855275855.db2.gz VBIUECMVVCRHOY-MRXNPFEDSA-N 1 0 401.352 4.319 20 30 HIEDRO O=C(Nc1cccc(C[NH+]=C(Nc2ccccc2)N2CCCCC2)c1)[C@H]1CCCO1 ZINC000303899834 855277345 /nfs/dbraw/zinc/27/73/45/855277345.db2.gz WIBIGFJXSVMKHI-JOCHJYFZSA-N 1 0 406.530 4.258 20 30 HIEDRO COc1ccc(CNC(=[NH2+])NCc2ccc(-c3nc4ccccc4s3)o2)cc1OC ZINC000303902893 855278564 /nfs/dbraw/zinc/27/85/64/855278564.db2.gz UHGJVSWFAPIPSG-UHFFFAOYSA-N 1 0 422.510 4.178 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCc2cccc(COCc3ccccc3)c2)cc1OC ZINC000303910656 855284719 /nfs/dbraw/zinc/28/47/19/855284719.db2.gz ZBPPGFSXGCYRFG-UHFFFAOYSA-N 1 0 405.498 4.347 20 30 HIEDRO COc1ccc(Br)cc1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000303969247 855328185 /nfs/dbraw/zinc/32/81/85/855328185.db2.gz BPLAEYGWQMSDFU-UHFFFAOYSA-N 1 0 418.213 4.283 20 30 HIEDRO [NH2+]=C(NCc1ccc(Br)c(F)c1)Nc1ccccc1OC(F)(F)F ZINC000305229836 855359866 /nfs/dbraw/zinc/35/98/66/855359866.db2.gz LSKVKPLNNZTLDO-UHFFFAOYSA-N 1 0 406.177 4.414 20 30 HIEDRO Cc1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c(OC[C@@H]2CCOC2)c1 ZINC000305239157 855360031 /nfs/dbraw/zinc/36/00/31/855360031.db2.gz POXJJBCAGMIKLL-OAHLLOKOSA-N 1 0 423.435 4.236 20 30 HIEDRO C[C@H](NC(=[NH2+])NCc1cccnc1OCC(F)F)c1ccc(Cl)cc1Cl ZINC000305757749 855360863 /nfs/dbraw/zinc/36/08/63/855360863.db2.gz XIXSCLVTWMXGST-JTQLQIEISA-N 1 0 403.260 4.198 20 30 HIEDRO [NH2+]=C(NCCc1ccc(Br)s1)Nc1ccccc1OC(F)(F)F ZINC000305251362 855361262 /nfs/dbraw/zinc/36/12/62/855361262.db2.gz VCEVCZYTPWLORH-UHFFFAOYSA-N 1 0 408.243 4.379 20 30 HIEDRO C#CCOc1ccc(Br)cc1CNc1ccc(OCC[NH+](C)C)cc1 ZINC000327387282 855417325 /nfs/dbraw/zinc/41/73/25/855417325.db2.gz QNQCDHRIAMMKMY-UHFFFAOYSA-N 1 0 403.320 4.014 20 30 HIEDRO C[NH+](C)Cc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cc1Cl ZINC000410329791 855932052 /nfs/dbraw/zinc/93/20/52/855932052.db2.gz UKEDAUVNCNLCKJ-UHFFFAOYSA-N 1 0 417.840 4.093 20 30 HIEDRO C[N@H+](CCc1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)c1)C1CC1 ZINC000410334294 855934207 /nfs/dbraw/zinc/93/42/07/855934207.db2.gz DEJXMZFZTUFRGV-UHFFFAOYSA-N 1 0 423.460 4.015 20 30 HIEDRO C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCCC2(C#N)CCOCC2)CC1 ZINC000410379422 855962474 /nfs/dbraw/zinc/96/24/74/855962474.db2.gz GFWQKAWZBCPXLN-SFHVURJKSA-N 1 0 420.395 4.228 20 30 HIEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3CC[NH+](C(C)C)CC3)sc2C1 ZINC000426390585 856270974 /nfs/dbraw/zinc/27/09/74/856270974.db2.gz POEWNAASOJDPOG-KRWDZBQOSA-N 1 0 416.635 4.125 20 30 HIEDRO O=C(NCCc1cccs1)C1CC[NH+](CC#Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000426417095 856281167 /nfs/dbraw/zinc/28/11/67/856281167.db2.gz OXAQGPVQIHSILR-UHFFFAOYSA-N 1 0 420.500 4.189 20 30 HIEDRO C[C@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000426747647 856451191 /nfs/dbraw/zinc/45/11/91/856451191.db2.gz QUFZPNJAQKUGOD-GOSISDBHSA-N 1 0 411.571 4.221 20 30 HIEDRO CC(C)(C#N)CCC[NH+]1CCC(Oc2ccccc2I)CC1 ZINC000426771297 856469112 /nfs/dbraw/zinc/46/91/12/856469112.db2.gz AQJNLBYWDLPVAR-UHFFFAOYSA-N 1 0 412.315 4.464 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000426841548 856508090 /nfs/dbraw/zinc/50/80/90/856508090.db2.gz DBFDYUQJKJZHKB-LJQANCHMSA-N 1 0 411.918 4.113 20 30 HIEDRO Cc1sc(NC(=O)CN(C)CCCc2cc(-c3ccccc3)no2)c(C#N)c1C ZINC000427012841 856594832 /nfs/dbraw/zinc/59/48/32/856594832.db2.gz SRJYMNWFOVSCLG-UHFFFAOYSA-N 1 0 408.527 4.395 20 30 HIEDRO C=CCC[C@H](C(=O)N[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1)c1ccccc1 ZINC000427140639 856664361 /nfs/dbraw/zinc/66/43/61/856664361.db2.gz SYCQGGHFPYOLTI-QPPBQGQZSA-N 1 0 408.542 4.144 20 30 HIEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[NH+](Cc2ccccc2)CC1 ZINC000427246970 856733926 /nfs/dbraw/zinc/73/39/26/856733926.db2.gz VYYWAXYCLIKPFZ-UHFFFAOYSA-N 1 0 410.525 4.002 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)c1C#N ZINC000437469407 862830794 /nfs/dbraw/zinc/83/07/94/862830794.db2.gz ROMDYVWTVUZJIQ-KRWDZBQOSA-N 1 0 420.582 4.289 20 30 HIEDRO Cc1nc(C(C)C)oc1CN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 ZINC000428291366 857143382 /nfs/dbraw/zinc/14/33/82/857143382.db2.gz ABSBOEHNMZGTHE-GOSISDBHSA-N 1 0 417.351 4.251 20 30 HIEDRO Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000428810944 857355184 /nfs/dbraw/zinc/35/51/84/857355184.db2.gz YYVGVIUWLNOIKO-HXUWFJFHSA-N 1 0 405.889 4.025 20 30 HIEDRO C[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428923521 857418443 /nfs/dbraw/zinc/41/84/43/857418443.db2.gz DOBTXMDVJVEMGC-MGPUTAFESA-N 1 0 417.431 4.368 20 30 HIEDRO C[C@@H]1CN(CCC(=O)Nc2cccc(C#N)c2)C[C@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428923519 857418467 /nfs/dbraw/zinc/41/84/67/857418467.db2.gz DOBTXMDVJVEMGC-FOIQADDNSA-N 1 0 417.431 4.368 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000429122932 857521153 /nfs/dbraw/zinc/52/11/53/857521153.db2.gz RVMGRBDHMGRMMP-WIEQDCTASA-N 1 0 415.584 4.373 20 30 HIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@H](C)c2cccc(O)c2)c1C#N ZINC000429309914 857598495 /nfs/dbraw/zinc/59/84/95/857598495.db2.gz SIBOTFOIORTBPZ-QGZVFWFLSA-N 1 0 402.498 4.020 20 30 HIEDRO Cc1oc(NC(=O)C[NH2+][C@H]2c3cccc(Br)c3CC2(C)C)c(C#N)c1C ZINC000429355351 857618560 /nfs/dbraw/zinc/61/85/60/857618560.db2.gz RDJPAIKTBYKNNK-SFHVURJKSA-N 1 0 416.319 4.382 20 30 HIEDRO CC(C)C[C@H]1C[N@H+](CCCc2ccccc2)CCN1CC(=O)Nc1sccc1C#N ZINC000429400483 857644038 /nfs/dbraw/zinc/64/40/38/857644038.db2.gz FFIRHDZXHAVGOH-QFIPXVFZSA-N 1 0 424.614 4.223 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)CC1 ZINC000429534670 857728317 /nfs/dbraw/zinc/72/83/17/857728317.db2.gz FMIHZMFNIKQEJF-UHFFFAOYSA-N 1 0 408.333 4.010 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH2+][C@@H]1[C@H]3CCO[C@@H]3C13CCCC3)CCCCC2 ZINC000429724946 857850925 /nfs/dbraw/zinc/85/09/25/857850925.db2.gz XZOCTSFQTHRTHX-HBGVWJBISA-N 1 0 413.587 4.155 20 30 HIEDRO C=C(C)COc1cccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c1 ZINC000429759175 857875660 /nfs/dbraw/zinc/87/56/60/857875660.db2.gz SQYJJOIZZBLHTR-QHCPKHFHSA-N 1 0 409.530 4.054 20 30 HIEDRO CC[NH+](CC)CCn1c(NC(=O)c2cccc(SCC#N)c2)nc2ccccc21 ZINC000429961145 857971476 /nfs/dbraw/zinc/97/14/76/857971476.db2.gz FTVYTMRXJGUQBP-UHFFFAOYSA-N 1 0 407.543 4.246 20 30 HIEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000429988890 857985880 /nfs/dbraw/zinc/98/58/80/857985880.db2.gz KGIXEQCHMWZKQK-LJQANCHMSA-N 1 0 407.562 4.094 20 30 HIEDRO O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000437660232 862999016 /nfs/dbraw/zinc/99/90/16/862999016.db2.gz ZDVYACQZNUTARN-GFCCVEGCSA-N 1 0 409.292 4.426 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCC2(CC#N)CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000430719167 858277140 /nfs/dbraw/zinc/27/71/40/858277140.db2.gz YTZUMIGLHZOEMU-AEFFLSMTSA-N 1 0 408.468 4.081 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2CC(=O)c2cccs2)cc1Cl ZINC000431001642 858400100 /nfs/dbraw/zinc/40/01/00/858400100.db2.gz WBDVKJUTOHEOSB-INIZCTEOSA-N 1 0 401.919 4.339 20 30 HIEDRO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)ccc1OCc1cccc(C#N)c1 ZINC000431608896 858687492 /nfs/dbraw/zinc/68/74/92/858687492.db2.gz LMVXSOIOICYXEZ-HSZRJFAPSA-N 1 0 415.493 4.194 20 30 HIEDRO C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000431735456 858773259 /nfs/dbraw/zinc/77/32/59/858773259.db2.gz JDKOHBHNXRGEAN-GAJHUEQPSA-N 1 0 408.521 4.094 20 30 HIEDRO C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000431735458 858773293 /nfs/dbraw/zinc/77/32/93/858773293.db2.gz JDKOHBHNXRGEAN-SBUREZEXSA-N 1 0 408.521 4.094 20 30 HIEDRO C=CCN1C(=O)N(C2CCC([NH+]3CCC(C)CC3)CC2)C(=O)[C@H]1Cc1ccccc1 ZINC000431741908 858779284 /nfs/dbraw/zinc/77/92/84/858779284.db2.gz KOFYKOHRKOVXON-XPPIMPSXSA-N 1 0 409.574 4.091 20 30 HIEDRO N#CCCC[C@H]([NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 ZINC000433015728 859479970 /nfs/dbraw/zinc/47/99/70/859479970.db2.gz YHWGORSBAHIYLV-QFIPXVFZSA-N 1 0 410.949 4.013 20 30 HIEDRO N#CCCC[C@@H]([NH2+]CC(=O)N[C@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000433034282 859492122 /nfs/dbraw/zinc/49/21/22/859492122.db2.gz XWCPZBYABJIYNY-IRLDBZIGSA-N 1 0 404.539 4.373 20 30 HIEDRO Cc1sc(NC(=O)CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C#N)c1C ZINC000433129428 859531990 /nfs/dbraw/zinc/53/19/90/859531990.db2.gz ZJRUOJNQNHCIBY-UHFFFAOYSA-N 1 0 422.598 4.163 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@@H]3CCOC[C@@H]3C)sc2C1 ZINC000433161763 859548448 /nfs/dbraw/zinc/54/84/48/859548448.db2.gz YIUNVPMCSYRRMA-HDMKZQKVSA-N 1 0 403.592 4.114 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000433296447 859623490 /nfs/dbraw/zinc/62/34/90/859623490.db2.gz IHHAVGUJTPCKGZ-WZONZLPQSA-N 1 0 423.582 4.370 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccc(Br)c(F)c2)c(-c2ccncc2)n1 ZINC000433309636 859631333 /nfs/dbraw/zinc/63/13/33/859631333.db2.gz BUVBOWGCTRJSMU-UHFFFAOYSA-N 1 0 414.282 4.050 20 30 HIEDRO CC[C@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Oc1cccc(Cl)c1 ZINC000433313768 859634524 /nfs/dbraw/zinc/63/45/24/859634524.db2.gz WYESGFLDBQAJNH-HXUWFJFHSA-N 1 0 409.921 4.459 20 30 HIEDRO COc1ccccc1C1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCC1 ZINC000433321312 859639408 /nfs/dbraw/zinc/63/94/08/859639408.db2.gz VCFKPWKORYRKKX-UHFFFAOYSA-N 1 0 401.514 4.079 20 30 HIEDRO Cn1cc(CC[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c2ccc(Cl)cc21 ZINC000433336947 859650644 /nfs/dbraw/zinc/65/06/44/859650644.db2.gz BCEJVJAHJVDHCC-UHFFFAOYSA-N 1 0 418.932 4.336 20 30 HIEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000433339738 859653504 /nfs/dbraw/zinc/65/35/04/859653504.db2.gz BOUPMDODROMKGC-XUZZJYLKSA-N 1 0 401.514 4.116 20 30 HIEDRO N#CCCn1cc(C[NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000433339739 859654007 /nfs/dbraw/zinc/65/40/07/859654007.db2.gz BOUPMDODROMKGC-ZJSXRUAMSA-N 1 0 401.514 4.116 20 30 HIEDRO C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000433406486 859681415 /nfs/dbraw/zinc/68/14/15/859681415.db2.gz PLYJBEGMZXZFJL-VQTJNVASSA-N 1 0 420.557 4.086 20 30 HIEDRO COc1ccc([C@@H]([NH2+][C@H]2CCN(c3ccc(C#N)cc3)C2=O)c2ccc(C)cc2)cc1 ZINC000433699335 859842495 /nfs/dbraw/zinc/84/24/95/859842495.db2.gz MPKJXDYEWYMABC-DQEYMECFSA-N 1 0 411.505 4.360 20 30 HIEDRO CC(C)n1nc(-c2ccco2)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000433921043 859972849 /nfs/dbraw/zinc/97/28/49/859972849.db2.gz HIOFNDFJVHMAFL-UHFFFAOYSA-N 1 0 420.517 4.191 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCSC(C)(C)CC2)c1C#N ZINC000434713899 860467792 /nfs/dbraw/zinc/46/77/92/860467792.db2.gz LFZUWTPWEAHMEM-UHFFFAOYSA-N 1 0 414.575 4.164 20 30 HIEDRO COC(=O)[C@H](NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000434865672 860527826 /nfs/dbraw/zinc/52/78/26/860527826.db2.gz SEXRNDYAMRZQSR-YDIMBITNSA-N 1 0 405.542 4.040 20 30 HIEDRO COc1cc([C@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)ccc1OCC(C)C ZINC000434881804 860532488 /nfs/dbraw/zinc/53/24/88/860532488.db2.gz YAYSZSBHFCLJKS-MAUKXSAKSA-N 1 0 413.543 4.119 20 30 HIEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000434979868 860583755 /nfs/dbraw/zinc/58/37/55/860583755.db2.gz XZQCZSZRNJRBEB-PKTZIBPZSA-N 1 0 405.542 4.204 20 30 HIEDRO N#Cc1cccc(C2(C(=O)NCCCC[NH+]3CCC(Cc4ccccc4)CC3)CC2)c1 ZINC000435024644 860604261 /nfs/dbraw/zinc/60/42/61/860604261.db2.gz TXYIFZFOYNOVOJ-UHFFFAOYSA-N 1 0 415.581 4.441 20 30 HIEDRO CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1)CCC2 ZINC000435126707 860652947 /nfs/dbraw/zinc/65/29/47/860652947.db2.gz PYBRLBFXXJZQFN-IBGZPJMESA-N 1 0 406.559 4.387 20 30 HIEDRO CCc1nc2c(s1)[C@H]([N@H+](C)Cc1cn(CCC#N)nc1-c1ccncc1)CCC2 ZINC000435126708 860653047 /nfs/dbraw/zinc/65/30/47/860653047.db2.gz PYBRLBFXXJZQFN-LJQANCHMSA-N 1 0 406.559 4.387 20 30 HIEDRO N#Cc1cccc(C2(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)CC2)c1 ZINC000435183373 860683457 /nfs/dbraw/zinc/68/34/57/860683457.db2.gz ZOPJFDQVGLFSQE-UHFFFAOYSA-N 1 0 414.534 4.243 20 30 HIEDRO C=CCOc1ccc(C(=O)Nc2cc(C)nn2[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000435284967 860719174 /nfs/dbraw/zinc/71/91/74/860719174.db2.gz MLRAKRYLSVFQTI-JOCHJYFZSA-N 1 0 416.525 4.456 20 30 HIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000435739435 861020778 /nfs/dbraw/zinc/02/07/78/861020778.db2.gz GFUHNJDXVBOWNE-OXJNMPFZSA-N 1 0 404.352 4.322 20 30 HIEDRO N#Cc1ccc(OCc2ccc(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)o2)cc1 ZINC000437856336 863215789 /nfs/dbraw/zinc/21/57/89/863215789.db2.gz ZKUQJSUYQQXKKG-HXUWFJFHSA-N 1 0 407.514 4.257 20 30 HIEDRO CCC[NH+]1CCC(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)CC1 ZINC000437975098 863343956 /nfs/dbraw/zinc/34/39/56/863343956.db2.gz HCHUZBUCMLBBPJ-UHFFFAOYSA-N 1 0 406.530 4.442 20 30 HIEDRO CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C1 ZINC000437977226 863344907 /nfs/dbraw/zinc/34/49/07/863344907.db2.gz RJNKZHCZGOLMMZ-NRFANRHFSA-N 1 0 406.530 4.394 20 30 HIEDRO COc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1OCC(C)C ZINC000438489503 863907993 /nfs/dbraw/zinc/90/79/93/863907993.db2.gz XRIJBLWVYHZXOO-UHFFFAOYSA-N 1 0 409.530 4.476 20 30 HIEDRO CC(C)C1CCC([NH+]2CCN([C@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)CC1 ZINC000438545174 863974854 /nfs/dbraw/zinc/97/48/54/863974854.db2.gz IDHBTDCSHRTCGN-DDRJZQQSSA-N 1 0 410.606 4.154 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(Br)c1 ZINC000438585041 864015841 /nfs/dbraw/zinc/01/58/41/864015841.db2.gz UNBFGMWSUWVGJM-UHFFFAOYSA-N 1 0 419.298 4.056 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc([C@H](C)Sc3ccccc3)cc2)CC1 ZINC000438814223 864306267 /nfs/dbraw/zinc/30/62/67/864306267.db2.gz WFGRPYDCWGOMKI-SFHVURJKSA-N 1 0 423.582 4.245 20 30 HIEDRO CCC(CC)CN(CCC#N)C(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000439601454 864925393 /nfs/dbraw/zinc/92/53/93/864925393.db2.gz MFFBMVDLKLYJME-SFHVURJKSA-N 1 0 412.578 4.164 20 30 HIEDRO CCCc1c(NC(=O)NCCC[NH2+]C2CCCCC2)cnn1-c1cccc(C#N)c1 ZINC000439673945 865007149 /nfs/dbraw/zinc/00/71/49/865007149.db2.gz OLDDCPRQMATPIM-UHFFFAOYSA-N 1 0 408.550 4.130 20 30 HIEDRO CCCc1c(NC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cnn1-c1cccc(C#N)c1 ZINC000439684167 865020262 /nfs/dbraw/zinc/02/02/62/865020262.db2.gz KNWACPDMCUNJKO-MJGOQNOKSA-N 1 0 408.550 4.033 20 30 HIEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000440230569 865466947 /nfs/dbraw/zinc/46/69/47/865466947.db2.gz HOULDXQQKKZLTG-QEFHDYNCSA-N 1 0 404.558 4.487 20 30 HIEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H](CCC#N)c1ccccc1 ZINC000440250693 865493505 /nfs/dbraw/zinc/49/35/05/865493505.db2.gz BFRWZOKZSDNWCL-GOTSBHOMSA-N 1 0 405.546 4.123 20 30 HIEDRO N#Cc1cccc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000440431531 865732057 /nfs/dbraw/zinc/73/20/57/865732057.db2.gz PROYGGCUGRTQHL-LJQANCHMSA-N 1 0 401.432 4.085 20 30 HIEDRO C[N@H+](CC#Cc1ccc(OC(F)(F)F)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000440452839 865757039 /nfs/dbraw/zinc/75/70/39/865757039.db2.gz CBWRYAKFUMLUOE-UHFFFAOYSA-N 1 0 416.443 4.173 20 30 HIEDRO CC[C@H](C)[C@H]([NH2+]Cc1ccc(C#N)c(OC)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000440808238 865926518 /nfs/dbraw/zinc/92/65/18/865926518.db2.gz PVXOOBZSQAXEEF-UUOWRZLLSA-N 1 0 420.557 4.310 20 30 HIEDRO COc1cc(C[NH2+]CC2(c3ccc(Br)cc3)CCOCC2)ccc1C#N ZINC000440823356 865938220 /nfs/dbraw/zinc/93/82/20/865938220.db2.gz FNUGPOOGVVLHPI-UHFFFAOYSA-N 1 0 415.331 4.167 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC000468107935 881923619 /nfs/dbraw/zinc/92/36/19/881923619.db2.gz IRWJPCBYDIDUQR-DEOSSOPVSA-N 1 0 417.553 4.494 20 30 HIEDRO C=CCC[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000440865614 865964899 /nfs/dbraw/zinc/96/48/99/865964899.db2.gz IJVTUEICELZSOM-GOSISDBHSA-N 1 0 413.484 4.123 20 30 HIEDRO CCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000441544670 866620074 /nfs/dbraw/zinc/62/00/74/866620074.db2.gz KMTPVPBTTDZPFK-AVRDEDQJSA-N 1 0 401.514 4.266 20 30 HIEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)C2)CC1 ZINC000442200495 867223038 /nfs/dbraw/zinc/22/30/38/867223038.db2.gz QVOCYTGFDZAXKJ-MRXNPFEDSA-N 1 0 424.467 4.433 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)NCC1CCC(C#N)CC1 ZINC000442730232 867652849 /nfs/dbraw/zinc/65/28/49/867652849.db2.gz QEHVAKPKWXSTII-UHFFFAOYSA-N 1 0 410.484 4.109 20 30 HIEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)cc1 ZINC000442903647 867732701 /nfs/dbraw/zinc/73/27/01/867732701.db2.gz YNEUNZVBZYGLHY-CJFMBICVSA-N 1 0 418.541 4.235 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Cc3cccc(Cl)c3Cl)CC2)cc1 ZINC000468236556 882130893 /nfs/dbraw/zinc/13/08/93/882130893.db2.gz WSNJANBFOZRHBK-UHFFFAOYSA-N 1 0 402.325 4.142 20 30 HIEDRO COc1ccc([C@H](CNc2c(C#N)cnc3c(F)cc(F)cc32)[NH+](C)C)cc1OC ZINC000443428498 868011918 /nfs/dbraw/zinc/01/19/18/868011918.db2.gz IWCCLXQNCKCOHV-SFHVURJKSA-N 1 0 412.440 4.117 20 30 HIEDRO O[C@@H](Cc1ccccc1C(F)(F)F)C[N@@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1 ZINC000443617474 868185782 /nfs/dbraw/zinc/18/57/82/868185782.db2.gz XENGEULDFBQBOK-NSHDSACASA-N 1 0 409.292 4.426 20 30 HIEDRO N#CCCCn1cc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c2ccccc21 ZINC000443925338 868462592 /nfs/dbraw/zinc/46/25/92/868462592.db2.gz UOUNBSDUSBYQFF-UHFFFAOYSA-N 1 0 400.526 4.471 20 30 HIEDRO N#Cc1cc(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)ccc1F ZINC000468274323 882195804 /nfs/dbraw/zinc/19/58/04/882195804.db2.gz KHGRDEDGRRVOLX-UHFFFAOYSA-N 1 0 416.294 4.311 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1cccc2c1[nH]c1c(F)cccc1c2=O)C(C)C ZINC000444021815 868548612 /nfs/dbraw/zinc/54/86/12/868548612.db2.gz OTUOQAXOYJAJBN-OAQYLSRUSA-N 1 0 421.516 4.249 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(Cl)c1SCC(F)F ZINC000444397537 868809549 /nfs/dbraw/zinc/80/95/49/868809549.db2.gz OCGSGJFDCHGBEM-UHFFFAOYSA-N 1 0 404.914 4.396 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1C#N ZINC000444629315 868920242 /nfs/dbraw/zinc/92/02/42/868920242.db2.gz COBCEOQYJDCHCA-IBGZPJMESA-N 1 0 400.567 4.356 20 30 HIEDRO C=CC[C@H]1[N@H+](Cc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)CCCC1(C)C ZINC000444776382 868998384 /nfs/dbraw/zinc/99/83/84/868998384.db2.gz CLPDIMGLHBGTLO-GOSISDBHSA-N 1 0 401.507 4.329 20 30 HIEDRO Cc1cccc2nc(C3CC[NH+]([C@@H]4CCCN(c5ccc(C#N)cc5)C4=O)CC3)oc21 ZINC000444786275 869004801 /nfs/dbraw/zinc/00/48/01/869004801.db2.gz SXQACDQKTZKHQL-JOCHJYFZSA-N 1 0 414.509 4.383 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCC(=O)c1csc2ccccc21 ZINC000445849468 869858007 /nfs/dbraw/zinc/85/80/07/869858007.db2.gz LSDJSWBXYMZUFS-UHFFFAOYSA-N 1 0 419.550 4.326 20 30 HIEDRO Cc1ccc(CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(OC(C)C)c1 ZINC000445871087 869866425 /nfs/dbraw/zinc/86/64/25/869866425.db2.gz ICUGRCANHMBHNY-UHFFFAOYSA-N 1 0 420.557 4.071 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCOc2ccc(Br)cc21 ZINC000445880548 869870216 /nfs/dbraw/zinc/87/02/16/869870216.db2.gz OHIYLCUFELQHSV-HNNXBMFYSA-N 1 0 420.332 4.166 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](CC(F)(F)F)C(C)C)c1C#N ZINC000445893429 869875581 /nfs/dbraw/zinc/87/55/81/869875581.db2.gz KCFDQXPLVKIQKL-QGZVFWFLSA-N 1 0 410.440 4.123 20 30 HIEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000445988647 869952399 /nfs/dbraw/zinc/95/23/99/869952399.db2.gz PJMANGKWPWCFSA-HMXCVIKNSA-N 1 0 404.432 4.243 20 30 HIEDRO N#Cc1ccc(CNC(=O)C[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000445996522 869959649 /nfs/dbraw/zinc/95/96/49/869959649.db2.gz QSOGMIGHDAVDDR-VQTJNVASSA-N 1 0 401.432 4.119 20 30 HIEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC000445996152 869959800 /nfs/dbraw/zinc/95/98/00/869959800.db2.gz WNIHIMXMHPUGMW-QUCCMNQESA-N 1 0 401.432 4.119 20 30 HIEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000447551022 871426385 /nfs/dbraw/zinc/42/63/85/871426385.db2.gz JJUMNZATHFPBCI-QZTJIDSGSA-N 1 0 414.509 4.100 20 30 HIEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3occc3COc3cccc(C#N)c3)cccc21 ZINC000447723859 871668845 /nfs/dbraw/zinc/66/88/45/871668845.db2.gz RRSIZEVGJOZOMN-OAQYLSRUSA-N 1 0 417.465 4.368 20 30 HIEDRO N#Cc1cccc(OCc2cccc(C(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2)c1 ZINC000448195516 872078336 /nfs/dbraw/zinc/07/83/36/872078336.db2.gz CWFJRTNWZPDVFR-WIOPSUGQSA-N 1 0 415.537 4.226 20 30 HIEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460374853 873011978 /nfs/dbraw/zinc/01/19/78/873011978.db2.gz JGFSYKIYXQFORO-QUCCMNQESA-N 1 0 402.546 4.132 20 30 HIEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000460392086 873039485 /nfs/dbraw/zinc/03/94/85/873039485.db2.gz WYAGIHWQUWFIQP-UHFFFAOYSA-N 1 0 407.587 4.219 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)c3c[nH]cc3-c3ccc(F)cc3)CC2)cc1 ZINC000460687388 873443209 /nfs/dbraw/zinc/44/32/09/873443209.db2.gz HUFZDBLHNZQOTQ-UHFFFAOYSA-N 1 0 402.473 4.041 20 30 HIEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000460770572 873618259 /nfs/dbraw/zinc/61/82/59/873618259.db2.gz RRLZLULMOPLWDX-FCEUIQTBSA-N 1 0 409.578 4.368 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460777797 873630073 /nfs/dbraw/zinc/63/00/73/873630073.db2.gz IXBQFKDHTIFLON-KZKAQZJJSA-N 1 0 423.605 4.266 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460781275 873635817 /nfs/dbraw/zinc/63/58/17/873635817.db2.gz JAYDXMRVMJDRFU-CMKODMSKSA-N 1 0 415.557 4.300 20 30 HIEDRO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460782264 873639025 /nfs/dbraw/zinc/63/90/25/873639025.db2.gz AUISUXUYNVXTDY-KNQAVFIVSA-N 1 0 419.577 4.016 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460942815 873843001 /nfs/dbraw/zinc/84/30/01/873843001.db2.gz FBEDLNOVQFQDPY-SFTDATJTSA-N 1 0 409.578 4.113 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460947710 873845573 /nfs/dbraw/zinc/84/55/73/873845573.db2.gz HQRBJKSCTDUNAN-CMKODMSKSA-N 1 0 415.557 4.442 20 30 HIEDRO C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000460955211 873852573 /nfs/dbraw/zinc/85/25/73/873852573.db2.gz DKNXNKUTQVPVGG-QZTJIDSGSA-N 1 0 415.607 4.074 20 30 HIEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460960975 873857150 /nfs/dbraw/zinc/85/71/50/873857150.db2.gz RZHAYXMLWIRHHO-IRLDBZIGSA-N 1 0 416.573 4.406 20 30 HIEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460961249 873858373 /nfs/dbraw/zinc/85/83/73/873858373.db2.gz SUDNNBWRCLMXSV-WIYYLYMNSA-N 1 0 404.562 4.236 20 30 HIEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460962990 873859444 /nfs/dbraw/zinc/85/94/44/873859444.db2.gz MQRSTPKCHWIOLH-CTNGQTDRSA-N 1 0 406.578 4.166 20 30 HIEDRO C=CCc1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc(OC)c1OC ZINC000461432745 874479647 /nfs/dbraw/zinc/47/96/47/874479647.db2.gz VJIXBCGUBYEKQN-GMAHTHKFSA-N 1 0 420.553 4.026 20 30 HIEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)[C@H](C)C1 ZINC000461482027 874542131 /nfs/dbraw/zinc/54/21/31/874542131.db2.gz BPRKXYRURUWFEG-DYESRHJHSA-N 1 0 420.586 4.093 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000468760577 882846978 /nfs/dbraw/zinc/84/69/78/882846978.db2.gz ANGPIRZITGNFQN-AUSIDOKSSA-N 1 0 402.542 4.202 20 30 HIEDRO Cc1nc(NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c(Cl)cc1C#N ZINC000461776110 874902515 /nfs/dbraw/zinc/90/25/15/874902515.db2.gz KUGHLDMYJHOWNH-UHFFFAOYSA-N 1 0 414.937 4.017 20 30 HIEDRO N#C[C@H]1CCC[C@H]1NC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1 ZINC000461944489 875076696 /nfs/dbraw/zinc/07/66/96/875076696.db2.gz ASZNGHBHUYGTCN-ZJSXRUAMSA-N 1 0 402.542 4.441 20 30 HIEDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C(=O)N1c1ccccc1 ZINC000462739354 875810343 /nfs/dbraw/zinc/81/03/43/875810343.db2.gz VZZDOQGDKJMURE-UQBPGWFLSA-N 1 0 411.505 4.421 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2C[C@@H](OCC)C23CCC3)cc1OC ZINC000462751742 875818418 /nfs/dbraw/zinc/81/84/18/875818418.db2.gz BHKIPOWMNYFYSV-ZWKOTPCHSA-N 1 0 410.352 4.460 20 30 HIEDRO COc1cc(C[NH2+]CCOc2ccc(C#N)cc2)ccc1OCc1ccc(F)cc1 ZINC000462770526 875829993 /nfs/dbraw/zinc/82/99/93/875829993.db2.gz ZJIYJWTYXMCYDF-UHFFFAOYSA-N 1 0 406.457 4.454 20 30 HIEDRO C=CCOCCCC(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000463111211 876150138 /nfs/dbraw/zinc/15/01/38/876150138.db2.gz WBQNDEZSDHFXMV-UHFFFAOYSA-N 1 0 407.558 4.239 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000463201303 876261031 /nfs/dbraw/zinc/26/10/31/876261031.db2.gz DMVJLHNUQFDQIP-KOUHRCEDSA-N 1 0 415.603 4.282 20 30 HIEDRO C[N@H+](Cc1ccc(C#N)cc1)Cc1cc(Br)cc(Br)c1N ZINC000463286522 876344474 /nfs/dbraw/zinc/34/44/74/876344474.db2.gz WENZCVZQLQHFLT-UHFFFAOYSA-N 1 0 409.125 4.297 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1CCCCC12CCCC2 ZINC000463443575 876500452 /nfs/dbraw/zinc/50/04/52/876500452.db2.gz XWDAOUTZULTSCP-HXUWFJFHSA-N 1 0 400.567 4.044 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000468987001 883053968 /nfs/dbraw/zinc/05/39/68/883053968.db2.gz PDNHGMVTVJFCME-UHFFFAOYSA-N 1 0 424.495 4.427 20 30 HIEDRO COc1ccc(Cn2nc(C)c(C[NH2+]CCSCc3ccccc3C#N)c2C)cc1 ZINC000463739900 876860720 /nfs/dbraw/zinc/86/07/20/876860720.db2.gz YQTRYDFLFGVVOD-UHFFFAOYSA-N 1 0 420.582 4.452 20 30 HIEDRO C[C@H](C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000464059288 877202616 /nfs/dbraw/zinc/20/26/16/877202616.db2.gz NYPSHBHOTSJWFP-KRWDZBQOSA-N 1 0 415.459 4.483 20 30 HIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000464599816 877827121 /nfs/dbraw/zinc/82/71/21/877827121.db2.gz DIXNHTDZTIIGPC-CQSZACIVSA-N 1 0 413.591 4.438 20 30 HIEDRO Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000464615175 877838990 /nfs/dbraw/zinc/83/89/90/877838990.db2.gz XUCKHJSYJZETCH-HNNXBMFYSA-N 1 0 401.942 4.197 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000464763264 878003358 /nfs/dbraw/zinc/00/33/58/878003358.db2.gz ALKLHZTYZIDQKR-PMACEKPBSA-N 1 0 423.582 4.445 20 30 HIEDRO CCS[C@H]1CC[C@@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000464780530 878024143 /nfs/dbraw/zinc/02/41/43/878024143.db2.gz UDHWAIXCAGWJIB-MJGOQNOKSA-N 1 0 414.575 4.162 20 30 HIEDRO C[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000464831345 878087801 /nfs/dbraw/zinc/08/78/01/878087801.db2.gz AAUREIDREVLBES-SFHVURJKSA-N 1 0 422.598 4.033 20 30 HIEDRO CCSCC[C@@H](C)[N@H+](C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 ZINC000464856786 878136387 /nfs/dbraw/zinc/13/63/87/878136387.db2.gz RUTUGRXUSBLYBF-QGZVFWFLSA-N 1 0 412.603 4.427 20 30 HIEDRO C=CCc1cc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)cc(OC)c1OC ZINC000465189370 878584786 /nfs/dbraw/zinc/58/47/86/878584786.db2.gz WRMZUWYRKQTPSW-GOSISDBHSA-N 1 0 424.541 4.405 20 30 HIEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000465253343 878679623 /nfs/dbraw/zinc/67/96/23/878679623.db2.gz LMRCJGMURVQSSK-FQEVSTJZSA-N 1 0 424.520 4.376 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)C(C)C ZINC000503390184 912373773 /nfs/dbraw/zinc/37/37/73/912373773.db2.gz JLCMQIVPVTUQIC-JOCHJYFZSA-N 1 0 409.578 4.151 20 30 HIEDRO N#Cc1ccc(Oc2cccc(C(=O)N3CCC(OCC[NH+]4CCCC4)CC3)c2)cc1 ZINC000465361753 878800991 /nfs/dbraw/zinc/80/09/91/878800991.db2.gz BZPAAEQOERBUTF-UHFFFAOYSA-N 1 0 419.525 4.068 20 30 HIEDRO CC1CC[NH+](C[C@H]2CCCN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000503432612 912436774 /nfs/dbraw/zinc/43/67/74/912436774.db2.gz WKYIINXIQOWRAO-HXUWFJFHSA-N 1 0 421.507 4.210 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000466416047 880187818 /nfs/dbraw/zinc/18/78/18/880187818.db2.gz IFADGPFUUQNVBM-UHFFFAOYSA-N 1 0 404.539 4.352 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](C)CCC2CCOCC2)c1C#N ZINC000466487682 880267249 /nfs/dbraw/zinc/26/72/49/880267249.db2.gz CXZZSAMPIFVQHC-UHFFFAOYSA-N 1 0 400.567 4.169 20 30 HIEDRO N#CCCCOc1cccnc1NC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000466595532 880366214 /nfs/dbraw/zinc/36/62/14/880366214.db2.gz INZGCGWNYXAFII-UHFFFAOYSA-N 1 0 421.545 4.462 20 30 HIEDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2ncccc2OCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000466606955 880376079 /nfs/dbraw/zinc/37/60/79/880376079.db2.gz KMWACVAQGRUPRZ-CTNGQTDRSA-N 1 0 421.545 4.281 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000466608185 880377129 /nfs/dbraw/zinc/37/71/29/880377129.db2.gz OAPKLPMYVDCXRH-IBGZPJMESA-N 1 0 413.566 4.273 20 30 HIEDRO COCC[C@@H]1CCCC[N@@H+]([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000467281126 881026099 /nfs/dbraw/zinc/02/60/99/881026099.db2.gz UERBTQLTCZSPIM-SJORKVTESA-N 1 0 403.592 4.354 20 30 HIEDRO COCC[C@@H]1CCCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000467281604 881028696 /nfs/dbraw/zinc/02/86/96/881028696.db2.gz WNDHMOJRZUOQHK-SJORKVTESA-N 1 0 403.592 4.212 20 30 HIEDRO C[C@@H]1CN(Cc2cccc(NC(=O)c3cc(-c4cccc(C#N)c4)no3)c2)C[C@@H](C)O1 ZINC000469163944 883260301 /nfs/dbraw/zinc/26/03/01/883260301.db2.gz VTQCVWXNRCXFNU-IAGOWNOFSA-N 1 0 416.481 4.075 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccc(Cl)cc2)c[nH]1 ZINC000469174369 883272255 /nfs/dbraw/zinc/27/22/55/883272255.db2.gz JHYPCJZGXYNBAZ-UHFFFAOYSA-N 1 0 406.917 4.411 20 30 HIEDRO C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000469240319 883337907 /nfs/dbraw/zinc/33/79/07/883337907.db2.gz JOFBHZCODNTJEE-KMFTYDHNSA-N 1 0 421.541 4.184 20 30 HIEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+][C@H](C)C(=O)NC1(C#N)CCC1 ZINC000469240939 883339879 /nfs/dbraw/zinc/33/98/79/883339879.db2.gz LTMZJYPYFCXQOP-GXTWGEPZSA-N 1 0 402.951 4.374 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)c1cccc(C(F)(F)F)c1 ZINC000469485630 883718249 /nfs/dbraw/zinc/71/82/49/883718249.db2.gz JAHVSULKTAFVGP-IBGZPJMESA-N 1 0 401.432 4.293 20 30 HIEDRO CCCC[C@@H](NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc(OC)cc1 ZINC000503773212 912820324 /nfs/dbraw/zinc/82/03/24/912820324.db2.gz YAWMGDFGDNZBBL-XMMPIXPASA-N 1 0 420.557 4.326 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000470135558 884399918 /nfs/dbraw/zinc/39/99/18/884399918.db2.gz YGEQYGRPAYLQHA-UHFFFAOYSA-N 1 0 422.245 4.120 20 30 HIEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccccc1Sc1ccccc1C#N ZINC000470477881 884867679 /nfs/dbraw/zinc/86/76/79/884867679.db2.gz QHXKLSFYDMNPQZ-GOSISDBHSA-N 1 0 421.566 4.035 20 30 HIEDRO CN(C(=O)CCCCOc1cccc(C#N)c1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470666711 885094231 /nfs/dbraw/zinc/09/42/31/885094231.db2.gz JTRZEOGZDGZRRF-HSZRJFAPSA-N 1 0 405.542 4.230 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000470943971 885442242 /nfs/dbraw/zinc/44/22/42/885442242.db2.gz FUHRXKVFEXUZGI-YJBOKZPZSA-N 1 0 422.451 4.219 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)c1C#N ZINC000470943969 885442489 /nfs/dbraw/zinc/44/24/89/885442489.db2.gz FUHRXKVFEXUZGI-MAUKXSAKSA-N 1 0 422.451 4.219 20 30 HIEDRO C=C(C)[C@H](NC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1)c1ccc(F)c(F)c1 ZINC000471039622 885548714 /nfs/dbraw/zinc/54/87/14/885548714.db2.gz WLWUSIPWCXSIKA-NRFANRHFSA-N 1 0 415.484 4.179 20 30 HIEDRO CCC1(CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000471059221 885573044 /nfs/dbraw/zinc/57/30/44/885573044.db2.gz KSZQOQLKUDFUIB-XMMPIXPASA-N 1 0 414.553 4.049 20 30 HIEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000504059628 912964921 /nfs/dbraw/zinc/96/49/21/912964921.db2.gz RZRKNLFTCCESMO-UHFFFAOYSA-N 1 0 415.497 4.341 20 30 HIEDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)[C@@H](C)C1 ZINC000471236778 885810876 /nfs/dbraw/zinc/81/08/76/885810876.db2.gz RXBYEZZWSZZYMZ-HTAPYJJXSA-N 1 0 413.610 4.082 20 30 HIEDRO C[C@H](CCNC(=O)c1occc1COc1cccc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000471443996 886110257 /nfs/dbraw/zinc/11/02/57/886110257.db2.gz OBRZYVOHXFNTPC-LJQANCHMSA-N 1 0 417.509 4.371 20 30 HIEDRO C[C@H](CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[N@H+](C)Cc1ccccc1 ZINC000471465290 886150813 /nfs/dbraw/zinc/15/08/13/886150813.db2.gz AGDIFTLUTLXGOR-LJQANCHMSA-N 1 0 417.509 4.371 20 30 HIEDRO C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471578165 886289458 /nfs/dbraw/zinc/28/94/58/886289458.db2.gz OHMALFSLIASSNW-SBUREZEXSA-N 1 0 403.482 4.151 20 30 HIEDRO CCCc1c(NC(=O)N(CC)CCC[NH+]2CCCC2)cnn1-c1cccc(C#N)c1 ZINC000471963304 886788346 /nfs/dbraw/zinc/78/83/46/886788346.db2.gz HUWDDFJTDJSVOD-UHFFFAOYSA-N 1 0 408.550 4.036 20 30 HIEDRO CCC(CC)(CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000472157244 886955488 /nfs/dbraw/zinc/95/54/88/886955488.db2.gz MSZNXDLVYMXXAX-XXBNENTESA-N 1 0 402.542 4.266 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2Cc3ccccc3C[C@H]2C)c1C#N ZINC000472253202 887062908 /nfs/dbraw/zinc/06/29/08/887062908.db2.gz AZUGXSRWGAQVLD-QGZVFWFLSA-N 1 0 416.525 4.393 20 30 HIEDRO CC(C)(C)N1CC[C@@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000504258464 913122103 /nfs/dbraw/zinc/12/21/03/913122103.db2.gz QUIGEGGVADMOFB-IEBWSBKVSA-N 1 0 400.885 4.090 20 30 HIEDRO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CSCc1ccc(C#N)cc1 ZINC000472515362 887384014 /nfs/dbraw/zinc/38/40/14/887384014.db2.gz JXDXYJODLNDOMW-RTBURBONSA-N 1 0 407.583 4.064 20 30 HIEDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCC(C#N)(c2ccccc2)c2ccccc2)C[C@@H](C)O1 ZINC000472746707 887592100 /nfs/dbraw/zinc/59/21/00/887592100.db2.gz GBMMDKUJHGJRBV-JQYIIUTOSA-N 1 0 417.597 4.460 20 30 HIEDRO N#CCCCn1cc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000473295736 888047817 /nfs/dbraw/zinc/04/78/17/888047817.db2.gz QSOHNFWGNJGAKC-NRFANRHFSA-N 1 0 400.526 4.197 20 30 HIEDRO N#Cc1cc(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)ccc1OCC(F)(F)F ZINC000473634045 888375143 /nfs/dbraw/zinc/37/51/43/888375143.db2.gz NXCCGCIREPOJNH-UHFFFAOYSA-N 1 0 424.467 4.418 20 30 HIEDRO CC(C)C[C@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000473701625 888477289 /nfs/dbraw/zinc/47/72/89/888477289.db2.gz SCPSCCMPSVPDKS-VEXUSMLFSA-N 1 0 402.542 4.122 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000473805114 888628008 /nfs/dbraw/zinc/62/80/08/888628008.db2.gz HRFKEDGCEOQQRV-UHFFFAOYSA-N 1 0 406.368 4.021 20 30 HIEDRO C[N@@H+]1CC[C@H](CNC(=O)C2(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000474148061 888976435 /nfs/dbraw/zinc/97/64/35/888976435.db2.gz UUVXHCKUXLPMOL-DYESRHJHSA-N 1 0 411.908 4.192 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)c1cccc(C(F)(F)F)c1 ZINC000474198090 889035323 /nfs/dbraw/zinc/03/53/23/889035323.db2.gz XIBWQEVGFQMUMR-IBGZPJMESA-N 1 0 401.432 4.028 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474241142 889089661 /nfs/dbraw/zinc/08/96/61/889089661.db2.gz UFIOJJUBCODRKW-CTNGQTDRSA-N 1 0 422.598 4.083 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000474520803 889390030 /nfs/dbraw/zinc/39/00/30/889390030.db2.gz SBSYTKVYPBQKIB-SFTDATJTSA-N 1 0 416.569 4.412 20 30 HIEDRO CN(C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474616850 889480825 /nfs/dbraw/zinc/48/08/25/889480825.db2.gz KAKFZWUVBPWQBM-GOSISDBHSA-N 1 0 402.420 4.315 20 30 HIEDRO CCN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475018656 889871396 /nfs/dbraw/zinc/87/13/96/889871396.db2.gz RQXNYBNMWAUTAA-SFHVURJKSA-N 1 0 414.456 4.288 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000475167913 890034866 /nfs/dbraw/zinc/03/48/66/890034866.db2.gz RMBKTHIVLLIUMO-QUCCMNQESA-N 1 0 411.590 4.246 20 30 HIEDRO N#CC[C@@H](CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccccc1 ZINC000475169482 890036106 /nfs/dbraw/zinc/03/61/06/890036106.db2.gz KZBCAGUZOXYQDK-QFIPXVFZSA-N 1 0 402.542 4.245 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4)C3)CC2)cc1 ZINC000475396485 890325001 /nfs/dbraw/zinc/32/50/01/890325001.db2.gz IJMVYEQAPSZPIN-ISKFKSNPSA-N 1 0 420.532 4.251 20 30 HIEDRO C=CCN(C(=O)Cn1c(C)nc2cc(F)c(F)cc21)c1nc2c(s1)CCCC2 ZINC000476136850 891059193 /nfs/dbraw/zinc/05/91/93/891059193.db2.gz GKFCOHBZXQCFKH-UHFFFAOYSA-N 1 0 402.470 4.177 20 30 HIEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@H](C)C1 ZINC000476809683 891795494 /nfs/dbraw/zinc/79/54/94/891795494.db2.gz UNVGPRUVDIXNPI-VGOFRKELSA-N 1 0 419.529 4.005 20 30 HIEDRO Cc1oc(NC(=O)[C@@H](C)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c(C#N)c1C ZINC000477044647 891969625 /nfs/dbraw/zinc/96/96/25/891969625.db2.gz CNOYZTRHBKLOPN-KBMIEXCESA-N 1 0 420.557 4.083 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)c(Cl)c1 ZINC000477047481 891976726 /nfs/dbraw/zinc/97/67/26/891976726.db2.gz JAKVHMWXXZYBMK-UHFFFAOYSA-N 1 0 420.738 4.178 20 30 HIEDRO Cc1coc(-c2cc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)ccc2C)n1 ZINC000477981844 893079139 /nfs/dbraw/zinc/07/91/39/893079139.db2.gz HGVVQOVUAQHEMX-UHFFFAOYSA-N 1 0 417.513 4.426 20 30 HIEDRO Cn1cc(C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cccs2)c(-c2ccc(C#N)cc2)n1 ZINC000478195707 893356486 /nfs/dbraw/zinc/35/64/86/893356486.db2.gz KTAGNZXYRCONGK-XXBNENTESA-N 1 0 405.571 4.193 20 30 HIEDRO C[C@@H]1C[NH+](Cc2cccc(NCc3cn(C)nc3-c3ccc(C#N)cc3)c2)C[C@@H](C)O1 ZINC000478236680 893399593 /nfs/dbraw/zinc/39/95/93/893399593.db2.gz UOCZUCZABWRFMO-RTBURBONSA-N 1 0 415.541 4.180 20 30 HIEDRO Cc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c(OCC(F)(F)F)c1 ZINC000478352256 893600596 /nfs/dbraw/zinc/60/05/96/893600596.db2.gz IZNMNKFVGDYAIL-UHFFFAOYSA-N 1 0 414.431 4.498 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCCOc1ccc(Cl)c(F)c1 ZINC000478525418 893830009 /nfs/dbraw/zinc/83/00/09/893830009.db2.gz BHUOIFXAUUEABN-UHFFFAOYSA-N 1 0 424.973 4.456 20 30 HIEDRO N#CC1(NC(=O)CCCOc2ccc3c(c2)CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000479336643 894630005 /nfs/dbraw/zinc/63/00/05/894630005.db2.gz AJKXAIGCQIONHD-UHFFFAOYSA-N 1 0 417.553 4.009 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000479697658 894989255 /nfs/dbraw/zinc/98/92/55/894989255.db2.gz YJDZQPKCMBIJDA-SFTDATJTSA-N 1 0 403.615 4.310 20 30 HIEDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000479892674 895239824 /nfs/dbraw/zinc/23/98/24/895239824.db2.gz OHCHBROLZPYVPP-KRWDZBQOSA-N 1 0 401.514 4.233 20 30 HIEDRO Cn1cc(C[NH2+]Cc2ccc(N3CCCCCC3)nc2)c(-c2ccc(C#N)cc2)n1 ZINC000479977590 895330529 /nfs/dbraw/zinc/33/05/29/895330529.db2.gz IFTCMFWTGQQDRY-UHFFFAOYSA-N 1 0 400.530 4.024 20 30 HIEDRO COc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cc1OCCCC#N ZINC000480046471 895395754 /nfs/dbraw/zinc/39/57/54/895395754.db2.gz SVLWZHGFVLYNRR-NFBKMPQASA-N 1 0 415.484 4.191 20 30 HIEDRO COc1cccc([C@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)[NH+](C)C)c1 ZINC000480393760 895798923 /nfs/dbraw/zinc/79/89/23/895798923.db2.gz JHRLBIXYAURROK-QFIPXVFZSA-N 1 0 415.493 4.392 20 30 HIEDRO N#Cc1cc(Cl)ccc1CN1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000480580878 895941543 /nfs/dbraw/zinc/94/15/43/895941543.db2.gz NYIUDTGTJISOMU-UHFFFAOYSA-N 1 0 404.297 4.421 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc4c(c3)CCC(=O)N4CC3CC3)CC2)cc1 ZINC000480661149 896028141 /nfs/dbraw/zinc/02/81/41/896028141.db2.gz HJGWCQCNEXXIBS-UHFFFAOYSA-N 1 0 414.553 4.324 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000481523075 896887226 /nfs/dbraw/zinc/88/72/26/896887226.db2.gz YBQRLPPZNBSVCG-JWQCQUIFSA-N 1 0 418.585 4.433 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000481658836 897043201 /nfs/dbraw/zinc/04/32/01/897043201.db2.gz OPSWUBKEQYYZDS-UHFFFAOYSA-N 1 0 408.399 4.312 20 30 HIEDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@H]3CCCCc4cc(C#N)ccc43)cc2)C[C@H](C)O1 ZINC000481679938 897064224 /nfs/dbraw/zinc/06/42/24/897064224.db2.gz WMHDPHWNIDTPRF-CEYNDMKZSA-N 1 0 417.553 4.365 20 30 HIEDRO N#Cc1ccsc1NC(=O)C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1 ZINC000481720990 897115982 /nfs/dbraw/zinc/11/59/82/897115982.db2.gz GSMJDXYXHBQTNL-MRXNPFEDSA-N 1 0 408.296 4.201 20 30 HIEDRO C[C@H]([NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)NC1(C#N)CCCCC1 ZINC000481734627 897129719 /nfs/dbraw/zinc/12/97/19/897129719.db2.gz KPUJQRQHQWFRPF-UGSOOPFHSA-N 1 0 422.342 4.360 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000481744776 897138956 /nfs/dbraw/zinc/13/89/56/897138956.db2.gz RSZRWEBRKXTNAJ-UHFFFAOYSA-N 1 0 419.298 4.056 20 30 HIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000481787908 897169052 /nfs/dbraw/zinc/16/90/52/897169052.db2.gz NVGCGEYHNAKFGC-JOCHJYFZSA-N 1 0 410.543 4.218 20 30 HIEDRO N#Cc1ccc(SCC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000481864187 897232134 /nfs/dbraw/zinc/23/21/34/897232134.db2.gz NRVJEHZLGCIVFA-FYYLOGMGSA-N 1 0 405.567 4.163 20 30 HIEDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481923277 897307892 /nfs/dbraw/zinc/30/78/92/897307892.db2.gz NSHXGRHINAAWFD-DEOSSOPVSA-N 1 0 417.553 4.158 20 30 HIEDRO C=CCn1c(SCCC[NH+]2CCN(c3ccccc3)CC2)nnc1-c1ccco1 ZINC000505474839 914151008 /nfs/dbraw/zinc/15/10/08/914151008.db2.gz UTANAFCMNZNKRB-UHFFFAOYSA-N 1 0 409.559 4.029 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000481990803 897386531 /nfs/dbraw/zinc/38/65/31/897386531.db2.gz MXLGIOFDJBBDKT-IRLDBZIGSA-N 1 0 401.489 4.328 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000482334343 897839886 /nfs/dbraw/zinc/83/98/86/897839886.db2.gz NYSPOYYATKZLSD-HNNXBMFYSA-N 1 0 424.389 4.186 20 30 HIEDRO CCCc1c(NC(=O)N(CCC)CC[NH+]2CCCC2)cnn1-c1cccc(C#N)c1 ZINC000482498643 898078723 /nfs/dbraw/zinc/07/87/23/898078723.db2.gz FZMYZFMFUPBMQV-UHFFFAOYSA-N 1 0 408.550 4.036 20 30 HIEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000482508129 898091377 /nfs/dbraw/zinc/09/13/77/898091377.db2.gz KZTZWYCHVLERCM-SANMLTNESA-N 1 0 417.553 4.230 20 30 HIEDRO N#CC1(NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000482571764 898167279 /nfs/dbraw/zinc/16/72/79/898167279.db2.gz CWVZYOAYAAJBIB-UHFFFAOYSA-N 1 0 419.916 4.018 20 30 HIEDRO N#Cc1cccc(OCc2cccc(C(=O)NC3CC[NH+](C4CCCC4)CC3)c2)c1 ZINC000482584942 898182562 /nfs/dbraw/zinc/18/25/62/898182562.db2.gz QVSUDLDZQMGIRU-UHFFFAOYSA-N 1 0 403.526 4.274 20 30 HIEDRO C=C(C)C[NH+]1CCC(N[C@H](C)c2nnn(-c3cccc(Br)c3)c2C)CC1 ZINC000482642089 898245255 /nfs/dbraw/zinc/24/52/55/898245255.db2.gz MBVGMCHOEDRPBF-OAHLLOKOSA-N 1 0 418.383 4.029 20 30 HIEDRO C[C@H](C#N)CN(CCOc1c(Br)cccc1Br)C1CC1 ZINC000482815692 898425540 /nfs/dbraw/zinc/42/55/40/898425540.db2.gz ZXWHTCGSXSMVPG-LLVKDONJSA-N 1 0 402.130 4.214 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000482879250 898494050 /nfs/dbraw/zinc/49/40/50/898494050.db2.gz XNONCNHVBSQUDF-QAPCUYQASA-N 1 0 406.505 4.247 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cnn(Cc2ccccc2)c1 ZINC000482887947 898504877 /nfs/dbraw/zinc/50/48/77/898504877.db2.gz LRMMZTXEHMGYSY-GCJKJVERSA-N 1 0 403.505 4.262 20 30 HIEDRO COc1cc(F)c([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC ZINC000482890761 898507658 /nfs/dbraw/zinc/50/76/58/898507658.db2.gz NSZHGEYEELKRNN-HOCLYGCPSA-N 1 0 401.457 4.173 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(-n2cncn2)cc1Cl ZINC000482892857 898510878 /nfs/dbraw/zinc/51/08/78/898510878.db2.gz VFLAGJFKDWLEQU-NVXWUHKLSA-N 1 0 424.911 4.251 20 30 HIEDRO CO[C@]1(C)CCC[N@H+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)CC1 ZINC000482998367 898646393 /nfs/dbraw/zinc/64/63/93/898646393.db2.gz JLEZRRXBAKQTDX-RUZDIDTESA-N 1 0 420.557 4.057 20 30 HIEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC[C@@H]21 ZINC000483230959 898874694 /nfs/dbraw/zinc/87/46/94/898874694.db2.gz QPVXJTRGOQZEKF-PXNSSMCTSA-N 1 0 408.477 4.438 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CC[C@@H](c4ccccc4F)C3)CC2)cc1 ZINC000483383940 899018626 /nfs/dbraw/zinc/01/86/26/899018626.db2.gz QUICVTDPJZSJOE-FGZHOGPDSA-N 1 0 420.532 4.251 20 30 HIEDRO CS[C@@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cc3C)cc2)C[C@@H]1[NH+]1CCCC1 ZINC000483385023 899019132 /nfs/dbraw/zinc/01/91/32/899019132.db2.gz KQQQOAFVVOAPLQ-JTHBVZDNSA-N 1 0 421.566 4.311 20 30 HIEDRO CC1(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000483387784 899022427 /nfs/dbraw/zinc/02/24/27/899022427.db2.gz WNBQLQWACCOJEK-UHFFFAOYSA-N 1 0 417.488 4.124 20 30 HIEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccccc3SCc3ccc(C#N)cc3)CC[C@H]21 ZINC000483567853 899223188 /nfs/dbraw/zinc/22/31/88/899223188.db2.gz ZIJICUPEFHNBLS-RBBKRZOGSA-N 1 0 405.567 4.407 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Br)cc3nc(C)oc32)CC1 ZINC000483880642 899557026 /nfs/dbraw/zinc/55/70/26/899557026.db2.gz ACYOGCFAYSVSOC-UHFFFAOYSA-N 1 0 407.312 4.061 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCCC[C@H]3C(F)(F)F)CC2)cc1 ZINC000484008412 899645240 /nfs/dbraw/zinc/64/52/40/899645240.db2.gz MKQCROKIOPFMBF-WOJBJXKFSA-N 1 0 422.495 4.144 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(Br)c3)CC2)cc1F ZINC000484062109 899693894 /nfs/dbraw/zinc/69/38/94/899693894.db2.gz BSNHICFFPRNXBZ-UHFFFAOYSA-N 1 0 416.294 4.311 20 30 HIEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccco1 ZINC000484465340 899959711 /nfs/dbraw/zinc/95/97/11/899959711.db2.gz MWPSCABMTZFDQC-SWLSCSKDSA-N 1 0 410.396 4.301 20 30 HIEDRO C[C@@H](C(=O)Nc1ccccc1C#N)N1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000484622171 900076264 /nfs/dbraw/zinc/07/62/64/900076264.db2.gz SIZXDJMHLNCGHI-UREPRSOHSA-N 1 0 420.601 4.109 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2n2cccn2)c1C#N ZINC000484645973 900091480 /nfs/dbraw/zinc/09/14/80/900091480.db2.gz WUNPSPUXPDGOHB-VXKWHMMOSA-N 1 0 422.577 4.390 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2n2cccn2)c1C#N ZINC000484658810 900103075 /nfs/dbraw/zinc/10/30/75/900103075.db2.gz XGOMBPXPXQCZSF-RTWAWAEBSA-N 1 0 408.550 4.000 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)c1C#N ZINC000484822202 900224694 /nfs/dbraw/zinc/22/46/94/900224694.db2.gz QHGIVXFNNHPJDN-UHFFFAOYSA-N 1 0 408.571 4.323 20 30 HIEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C[C@@H]1C ZINC000484991732 900345550 /nfs/dbraw/zinc/34/55/50/900345550.db2.gz BVIQUKBYCPWEEA-HTAPYJJXSA-N 1 0 419.529 4.147 20 30 HIEDRO C=CCn1c(C)cc(C(=O)C[N@@H+](Cc2cccc(OC)c2)C2CCC(O)CC2)c1C ZINC000485041734 900378641 /nfs/dbraw/zinc/37/86/41/900378641.db2.gz JBUVMNQQMMIROO-UHFFFAOYSA-N 1 0 410.558 4.288 20 30 HIEDRO Cc1cc(C)c(NC(=O)CCC[NH+]2CCN(c3ccc(C#N)cc3F)CC2)c(C)c1 ZINC000485095007 900406501 /nfs/dbraw/zinc/40/65/01/900406501.db2.gz ROOGBKNANWODNX-UHFFFAOYSA-N 1 0 408.521 4.164 20 30 HIEDRO CCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000485328336 900610912 /nfs/dbraw/zinc/61/09/12/900610912.db2.gz AUYORCDMPJSEGK-DYESRHJHSA-N 1 0 407.514 4.202 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]CC3(c4ccccc4Cl)CCOCC3)C2=O)cc1 ZINC000485344374 900635477 /nfs/dbraw/zinc/63/54/77/900635477.db2.gz IEMGKQQYZRCCBW-QFIPXVFZSA-N 1 0 423.944 4.045 20 30 HIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(-c4ccc(F)cc4)s3)C2=O)cc1 ZINC000486861819 901906543 /nfs/dbraw/zinc/90/65/43/901906543.db2.gz AWPHHVCKCGCHRP-OAQYLSRUSA-N 1 0 405.498 4.317 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 ZINC000486966075 901994005 /nfs/dbraw/zinc/99/40/05/901994005.db2.gz JQXAJGCCGLOEKO-KKSFZXQISA-N 1 0 401.470 4.337 20 30 HIEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000487128708 902068225 /nfs/dbraw/zinc/06/82/25/902068225.db2.gz XQDNBTYAEMAOOM-GOSISDBHSA-N 1 0 421.566 4.035 20 30 HIEDRO N#Cc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCCC2)cc1Br ZINC000487933793 902463848 /nfs/dbraw/zinc/46/38/48/902463848.db2.gz JSMCWNDWBXDSPU-UHFFFAOYSA-N 1 0 413.319 4.238 20 30 HIEDRO Cc1cc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)ccc1C#N ZINC000488223147 902703350 /nfs/dbraw/zinc/70/33/50/902703350.db2.gz ZMKLTTPWGOISBQ-UHFFFAOYSA-N 1 0 412.331 4.480 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000488400441 902808768 /nfs/dbraw/zinc/80/87/68/902808768.db2.gz COBHJYHWGVBEEF-FCHUYYIVSA-N 1 0 411.571 4.432 20 30 HIEDRO COc1ccc2oc([C@H](C)[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c(C)c2c1 ZINC000488468936 902840965 /nfs/dbraw/zinc/84/09/65/902840965.db2.gz TWOCAZFHRFEFKU-KKSFZXQISA-N 1 0 403.482 4.073 20 30 HIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488496429 902855174 /nfs/dbraw/zinc/85/51/74/902855174.db2.gz KPOPSTTZUXITMT-KKSFZXQISA-N 1 0 416.550 4.442 20 30 HIEDRO CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1cccc(Br)c1 ZINC000488499378 902857056 /nfs/dbraw/zinc/85/70/56/902857056.db2.gz OGVMKXVIBONVGS-PMACEKPBSA-N 1 0 412.331 4.163 20 30 HIEDRO C[C@H](NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000488624714 902905077 /nfs/dbraw/zinc/90/50/77/902905077.db2.gz IOSJMBZXVVRVJY-WAABAYLZSA-N 1 0 416.569 4.378 20 30 HIEDRO C=CC[C@H](C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000488983636 903104639 /nfs/dbraw/zinc/10/46/39/903104639.db2.gz OSEMPBMCMYENMU-QFIPXVFZSA-N 1 0 406.530 4.201 20 30 HIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489850828 903631365 /nfs/dbraw/zinc/63/13/65/903631365.db2.gz VJYPCEWMYOAVTP-HYBUGGRVSA-N 1 0 404.558 4.389 20 30 HIEDRO Cc1ccc(S(=O)(=O)N[C@H](CC[NH+]2CCC(C)(C#N)CC2)c2ccccc2)cc1 ZINC000506047234 914743344 /nfs/dbraw/zinc/74/33/44/914743344.db2.gz IZTIMPQMRYZHHD-JOCHJYFZSA-N 1 0 411.571 4.030 20 30 HIEDRO C=C(C)CN1CCC([NH2+][C@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491034534 904387164 /nfs/dbraw/zinc/38/71/64/904387164.db2.gz HGXLXFPOQXRJKU-XMMPIXPASA-N 1 0 412.599 4.118 20 30 HIEDRO Cn1cc(C[N@@H+](Cc2ccccc2)CC2CCOCC2)c(-c2ccc(C#N)cc2)n1 ZINC000491089046 904420727 /nfs/dbraw/zinc/42/07/27/904420727.db2.gz CMVXKAVOQDSSCX-UHFFFAOYSA-N 1 0 400.526 4.388 20 30 HIEDRO COc1ccc(CC2CC[NH+](Cc3cn(C)nc3-c3ccc(C#N)cc3)CC2)cc1 ZINC000491091893 904423471 /nfs/dbraw/zinc/42/34/71/904423471.db2.gz QUSALRGNLYFOQM-UHFFFAOYSA-N 1 0 400.526 4.422 20 30 HIEDRO Cn1cc(C[N@H+](C)Cc2ccc(Br)s2)c(-c2ccc(C#N)cc2)n1 ZINC000491113582 904437473 /nfs/dbraw/zinc/43/74/73/904437473.db2.gz SAMDNEFXCGSNBA-UHFFFAOYSA-N 1 0 401.333 4.415 20 30 HIEDRO COc1ccc([C@@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC000491137844 904450036 /nfs/dbraw/zinc/45/00/36/904450036.db2.gz QLAUSWBEUJNJIB-NRFANRHFSA-N 1 0 402.498 4.313 20 30 HIEDRO Cn1cc(C[N@H+](C)Cc2ccc(OC(F)(F)F)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000491194918 904477311 /nfs/dbraw/zinc/47/73/11/904477311.db2.gz QUMMEOZBQPOCPQ-UHFFFAOYSA-N 1 0 400.404 4.489 20 30 HIEDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)Nc2cc(C#N)ccc2OC(F)F)c1 ZINC000491489845 904621908 /nfs/dbraw/zinc/62/19/08/904621908.db2.gz FOHQYQHPIYCQNU-UHFFFAOYSA-N 1 0 402.445 4.064 20 30 HIEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)[C@@H]2C1 ZINC000492123067 904803034 /nfs/dbraw/zinc/80/30/34/904803034.db2.gz VBBDQWZBGYJCRK-WIYYLYMNSA-N 1 0 424.932 4.349 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000493388210 905102591 /nfs/dbraw/zinc/10/25/91/905102591.db2.gz RHEPORJXGVCHFT-XUZZJYLKSA-N 1 0 405.542 4.333 20 30 HIEDRO C[C@H]1C[C@H](CCNC(=O)NC2(c3cccc(C#N)c3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000512393012 921128807 /nfs/dbraw/zinc/12/88/07/921128807.db2.gz NBUFMPRBMUBJFL-UGKGYDQZSA-N 1 0 402.542 4.147 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000493923542 905276829 /nfs/dbraw/zinc/27/68/29/905276829.db2.gz CFDANEXQZPAUKT-PNHOKKKMSA-N 1 0 406.498 4.049 20 30 HIEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000493951485 905302225 /nfs/dbraw/zinc/30/22/25/905302225.db2.gz YPRRTPJUOSKXSJ-UHFFFAOYSA-N 1 0 421.589 4.039 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N2CCc3nc(-c4ccccc4Cl)sc3C2)CC1 ZINC000494104171 905436758 /nfs/dbraw/zinc/43/67/58/905436758.db2.gz BMAGCEIZRHDDRE-UHFFFAOYSA-N 1 0 416.978 4.182 20 30 HIEDRO C=CCn1c(SCC[NH+]2CCCCC2)nnc1-c1ccc(Br)cc1 ZINC000494310845 905626555 /nfs/dbraw/zinc/62/65/55/905626555.db2.gz UZQZUHPOOULUJR-UHFFFAOYSA-N 1 0 407.381 4.472 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)[NH2+][C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(C#N)c1C ZINC000494475017 905754564 /nfs/dbraw/zinc/75/45/64/905754564.db2.gz LNZDWBNKCNHAOO-NBHSMZAVSA-N 1 0 405.857 4.007 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000494491641 905777757 /nfs/dbraw/zinc/77/77/57/905777757.db2.gz JGGSPIBWXUDXMU-JBANWTQYSA-N 1 0 403.954 4.079 20 30 HIEDRO N#Cc1ccc(NC(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)cc1Cl ZINC000494501385 905793025 /nfs/dbraw/zinc/79/30/25/905793025.db2.gz HSKLLVKFNMCPSL-PKOBYXMFSA-N 1 0 408.260 4.062 20 30 HIEDRO C[C@H](c1ccccc1)[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000494766509 905963812 /nfs/dbraw/zinc/96/38/12/905963812.db2.gz AAIQAVCIEOANGR-QUCCMNQESA-N 1 0 420.557 4.049 20 30 HIEDRO N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)C[N@@H+]1CCC[C@H]1C1CCCC1)CCCC2 ZINC000494791612 905993725 /nfs/dbraw/zinc/99/37/25/905993725.db2.gz FJLRODNIYZBLSF-UGKGYDQZSA-N 1 0 424.589 4.011 20 30 HIEDRO Cc1ccc(-c2c[nH]cc2C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000494900143 906074501 /nfs/dbraw/zinc/07/45/01/906074501.db2.gz HMFSDEXNFVNONW-UHFFFAOYSA-N 1 0 404.539 4.271 20 30 HIEDRO CC(C)[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CCCC1 ZINC000495023288 906181287 /nfs/dbraw/zinc/18/12/87/906181287.db2.gz GLAGZMNTYSNXHJ-LJQANCHMSA-N 1 0 412.578 4.009 20 30 HIEDRO N#Cc1cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)ccc1F ZINC000512548932 921229337 /nfs/dbraw/zinc/22/93/37/921229337.db2.gz JRQWTTHGHJQPID-QGZVFWFLSA-N 1 0 406.383 4.112 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2c(F)cccc2N2CCCC2)c(-c2ccccc2)n1 ZINC000512566683 921241137 /nfs/dbraw/zinc/24/11/37/921241137.db2.gz YTDJWGIBMIBIRG-UHFFFAOYSA-N 1 0 403.505 4.493 20 30 HIEDRO CS[C@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C[C@@H]1[NH+](C)C ZINC000495695381 906525885 /nfs/dbraw/zinc/52/58/85/906525885.db2.gz CGXWIIFCNRUGDE-ICSRJNTNSA-N 1 0 415.946 4.122 20 30 HIEDRO C=CCc1cc(C[NH+]2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)cc(OC)c1O ZINC000512573688 921245462 /nfs/dbraw/zinc/24/54/62/921245462.db2.gz NSCSLJLHGZLXBD-UHFFFAOYSA-N 1 0 404.514 4.294 20 30 HIEDRO N#C[C@H](NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)c1cccc(Br)c1 ZINC000496263438 906642115 /nfs/dbraw/zinc/64/21/15/906642115.db2.gz OJVLNQPYUDTQFL-IBGZPJMESA-N 1 0 407.271 4.004 20 30 HIEDRO N#Cc1cccc(C2(NC(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)c1 ZINC000496652296 906728743 /nfs/dbraw/zinc/72/87/43/906728743.db2.gz RUAXBBMESHXSIG-NOTZXAQLSA-N 1 0 400.526 4.042 20 30 HIEDRO C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1ccc(C#N)cc1F ZINC000512636323 921269742 /nfs/dbraw/zinc/26/97/42/921269742.db2.gz LBNZPYQHVSPCQU-CQSZACIVSA-N 1 0 418.310 4.159 20 30 HIEDRO N#Cc1cccc(C2(NC(=O)NCc3ccccc3C[NH+]3CCCCCC3)CC2)c1 ZINC000497450756 906925472 /nfs/dbraw/zinc/92/54/72/906925472.db2.gz ZHTQCURAPDVEDP-UHFFFAOYSA-N 1 0 402.542 4.423 20 30 HIEDRO Cc1cc(C)c(NC(=O)[C@H](C)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(C)c1 ZINC000512831900 921336370 /nfs/dbraw/zinc/33/63/70/921336370.db2.gz FZYMMZNTMXAVTM-SFHVURJKSA-N 1 0 409.505 4.493 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](Cc3cccc(C(=O)N4CCCCC4)c3)CC2)c(F)c1 ZINC000512850820 921355851 /nfs/dbraw/zinc/35/58/51/921355851.db2.gz LBTDSCLUPVLVBC-UHFFFAOYSA-N 1 0 421.516 4.367 20 30 HIEDRO C=CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000498547709 908010438 /nfs/dbraw/zinc/01/04/38/908010438.db2.gz HLIFYTLNNFTERL-BJKOFHAPSA-N 1 0 405.542 4.371 20 30 HIEDRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000499041953 908416084 /nfs/dbraw/zinc/41/60/84/908416084.db2.gz APUNYRZLMPMTGT-HNNXBMFYSA-N 1 0 420.340 4.223 20 30 HIEDRO C[C@@H](Sc1ccccc1Cl)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000499048224 908419376 /nfs/dbraw/zinc/41/93/76/908419376.db2.gz NIIJGKHDSFWAFN-MRXNPFEDSA-N 1 0 401.963 4.283 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000499056422 908427645 /nfs/dbraw/zinc/42/76/45/908427645.db2.gz PAJZRGNQUYJGIX-NHCUHLMSSA-N 1 0 415.459 4.271 20 30 HIEDRO C=CCc1cc(C[NH2+]C[C@H](c2ccc(OC)cc2)N2CCCCC2)cc(OC)c1O ZINC000500268901 909750507 /nfs/dbraw/zinc/75/05/07/909750507.db2.gz YDXGPSCUEMQLAC-HSZRJFAPSA-N 1 0 410.558 4.455 20 30 HIEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N(C)Cc3ccc(C#N)cc3)cc2)C1 ZINC000500646109 909990583 /nfs/dbraw/zinc/99/05/83/909990583.db2.gz QADBOAWZFBJNIJ-PMACEKPBSA-N 1 0 404.558 4.378 20 30 HIEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000500735718 910049714 /nfs/dbraw/zinc/04/97/14/910049714.db2.gz YUCGRGDCOMRNIK-HSZRJFAPSA-N 1 0 406.530 4.136 20 30 HIEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000501141103 910321196 /nfs/dbraw/zinc/32/11/96/910321196.db2.gz GVBMRMZVOVCDLF-NRFANRHFSA-N 1 0 410.493 4.080 20 30 HIEDRO CC[NH+]1CCN(c2ccc(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)cc2)CC1 ZINC000501179744 910348402 /nfs/dbraw/zinc/34/84/02/910348402.db2.gz XESQGFTWCVHXMQ-UHFFFAOYSA-N 1 0 417.538 4.076 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501836868 910878249 /nfs/dbraw/zinc/87/82/49/910878249.db2.gz YNMSSTINLFKZDW-TZIWHRDSSA-N 1 0 401.599 4.205 20 30 HIEDRO N#Cc1cccc(OCCC[N@H+]2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)c1 ZINC000502310242 911275599 /nfs/dbraw/zinc/27/55/99/911275599.db2.gz COFCEJKSEJGRCK-HXUWFJFHSA-N 1 0 421.545 4.059 20 30 HIEDRO COc1cc(C)c(C[C@@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1OC ZINC000502399154 911384400 /nfs/dbraw/zinc/38/44/00/911384400.db2.gz GIHZIYXCPUYLNF-MDMXATFFSA-N 1 0 409.530 4.190 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)c1ccc(C#N)c(C)n1)c1ccc(C(F)(F)F)cc1 ZINC000502508795 911513433 /nfs/dbraw/zinc/51/34/33/911513433.db2.gz SKJFKPORIJEFRI-LJQANCHMSA-N 1 0 404.436 4.093 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCCC12CCOCC2)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000502824230 911839565 /nfs/dbraw/zinc/83/95/65/911839565.db2.gz MDQFICWDZBSKMY-HNAYVOBHSA-N 1 0 401.576 4.155 20 30 HIEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000502845981 911855823 /nfs/dbraw/zinc/85/58/23/911855823.db2.gz NDHFZZDJOGUXGB-QHCPKHFHSA-N 1 0 403.526 4.228 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000502845087 911856339 /nfs/dbraw/zinc/85/63/39/911856339.db2.gz LNAMKBYWMASQRE-OAHLLOKOSA-N 1 0 412.456 4.275 20 30 HIEDRO CCC[N@H+](Cc1nnc(-c2cccc(C#N)c2)o1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000502933929 911919128 /nfs/dbraw/zinc/91/91/28/911919128.db2.gz DMETYZSNZVIZJH-KRWDZBQOSA-N 1 0 403.486 4.238 20 30 HIEDRO Cc1ccc(C(C)(C)CNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000502961832 911943301 /nfs/dbraw/zinc/94/33/01/911943301.db2.gz PVVXTSOBGYCIED-UHFFFAOYSA-N 1 0 404.558 4.062 20 30 HIEDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)ccc1OCc1cccc(C#N)c1 ZINC000503077360 912049049 /nfs/dbraw/zinc/04/90/49/912049049.db2.gz UEIOKOFSQKOVHZ-CVDCTZTESA-N 1 0 416.525 4.425 20 30 HIEDRO CCOc1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1OC(F)F ZINC000506279126 914880531 /nfs/dbraw/zinc/88/05/31/914880531.db2.gz IKEMDWGAWMBBSB-UHFFFAOYSA-N 1 0 415.484 4.266 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CCC([NH+]3CCCCC3)CC2)cc1OC ZINC000506326577 914934437 /nfs/dbraw/zinc/93/44/37/914934437.db2.gz PFQSSZSYJUBKII-UHFFFAOYSA-N 1 0 423.395 4.473 20 30 HIEDRO Cc1ccccc1[C@H](OC[C@H](O)C[N@@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000506338753 914953072 /nfs/dbraw/zinc/95/30/72/914953072.db2.gz OLZZEWNCDIWWBL-AOYPEHQESA-N 1 0 400.522 4.466 20 30 HIEDRO Cc1noc(C2(C)CC[NH+](Cc3cccc(OCc4ccccc4C#N)c3)CC2)n1 ZINC000513360289 921735833 /nfs/dbraw/zinc/73/58/33/921735833.db2.gz ZGMPKTSNIOONSH-UHFFFAOYSA-N 1 0 402.498 4.382 20 30 HIEDRO C=C(C)COc1cc(C[NH+]2CCC(NC(=O)c3ccc(F)cc3)CC2)ccc1OC ZINC000506424679 915029770 /nfs/dbraw/zinc/02/97/70/915029770.db2.gz XNWYWLDBHBQMIF-UHFFFAOYSA-N 1 0 412.505 4.184 20 30 HIEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)[C@H](C(F)(F)F)C1 ZINC000506661918 915337161 /nfs/dbraw/zinc/33/71/61/915337161.db2.gz KBDQZUMAZJRWJR-MGPQQGTHSA-N 1 0 414.365 4.454 20 30 HIEDRO CC[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(OC)c(OC)c1 ZINC000506670041 915345673 /nfs/dbraw/zinc/34/56/73/915345673.db2.gz SDMKGONUQRRVMG-OXQOHEQNSA-N 1 0 413.493 4.219 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c(-c2ccccc2)n1 ZINC000506710724 915387898 /nfs/dbraw/zinc/38/78/98/915387898.db2.gz JIGGREMEGIIYLG-UHFFFAOYSA-N 1 0 413.525 4.314 20 30 HIEDRO C=C(C)COc1cc(C[NH+]2CCC(C(=O)NCc3ccccc3)CC2)ccc1OC ZINC000506730312 915416211 /nfs/dbraw/zinc/41/62/11/915416211.db2.gz MGMFZZKWOFCHQG-UHFFFAOYSA-N 1 0 408.542 4.179 20 30 HIEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccc(Br)c1 ZINC000506882608 915675015 /nfs/dbraw/zinc/67/50/15/915675015.db2.gz BMRDYBZDKDSNFB-UHFFFAOYSA-N 1 0 406.711 4.435 20 30 HIEDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000507114142 915875725 /nfs/dbraw/zinc/87/57/25/915875725.db2.gz WGKGSLWTRNARSL-JOCHJYFZSA-N 1 0 419.529 4.052 20 30 HIEDRO N#CCCCOc1cccc(NC(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)c1 ZINC000507172268 915914986 /nfs/dbraw/zinc/91/49/86/915914986.db2.gz AFSPRCUFCFMTQV-OAQYLSRUSA-N 1 0 413.468 4.465 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1ccc2n[nH]cc2c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000507221238 915975392 /nfs/dbraw/zinc/97/53/92/915975392.db2.gz HFXOXJZMISPYHU-KBPBESRZSA-N 1 0 407.543 4.443 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)C[C@H]1OCCc2ccccc21 ZINC000507234281 915991293 /nfs/dbraw/zinc/99/12/93/915991293.db2.gz PZSUPOMQVISSGW-HRAATJIYSA-N 1 0 423.582 4.461 20 30 HIEDRO C=C[C@H](CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000507241479 916001620 /nfs/dbraw/zinc/00/16/20/916001620.db2.gz YLQBFPPCFJFYQW-NOZRDPDXSA-N 1 0 418.581 4.391 20 30 HIEDRO Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507420072 916188263 /nfs/dbraw/zinc/18/82/63/916188263.db2.gz IBUSSNILFQULMX-JXFKEZNVSA-N 1 0 424.932 4.022 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000507620294 916379055 /nfs/dbraw/zinc/37/90/55/916379055.db2.gz KDMNDPLKFNGVSS-UHFFFAOYSA-N 1 0 412.331 4.381 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)CC1 ZINC000507631293 916390518 /nfs/dbraw/zinc/39/05/18/916390518.db2.gz YBXSJCJMTCAOKN-MYIFBMMKSA-N 1 0 417.553 4.089 20 30 HIEDRO COc1cc(OC)cc(N2CC[C@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)C2)c1 ZINC000507650710 916409840 /nfs/dbraw/zinc/40/98/40/916409840.db2.gz QLXZHKBNKNCRPY-JQJXBVGUSA-N 1 0 405.542 4.276 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC000507659887 916421991 /nfs/dbraw/zinc/42/19/91/916421991.db2.gz LQPXVWDJMRERLJ-SNCIUUNGSA-N 1 0 418.459 4.439 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000507660610 916423670 /nfs/dbraw/zinc/42/36/70/916423670.db2.gz OJCCCVOHKXWVIW-UHFFFAOYSA-N 1 0 402.947 4.107 20 30 HIEDRO CC[N@H+](CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)[C@@H](C)c1ccc(C#N)cc1 ZINC000507689398 916462682 /nfs/dbraw/zinc/46/26/82/916462682.db2.gz SMEKFWWIRNPAFV-FDDCHVKYSA-N 1 0 421.541 4.322 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)COc3cc(Cl)ccc3Cl)CC2)cc1 ZINC000507850199 916671915 /nfs/dbraw/zinc/67/19/15/916671915.db2.gz WFEZKOGGTJCHCX-QGZVFWFLSA-N 1 0 421.324 4.148 20 30 HIEDRO C=C(C)CN(CC)C(=O)CN1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000507936944 916807802 /nfs/dbraw/zinc/80/78/02/916807802.db2.gz CDXLIPDYXPJHMH-UHFFFAOYSA-N 1 0 411.512 4.026 20 30 HIEDRO CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000507955520 916814795 /nfs/dbraw/zinc/81/47/95/916814795.db2.gz YYJRXJPACSUNSB-CTWPCTMYSA-N 1 0 401.526 4.156 20 30 HIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@H](C(=O)Nc3cccc(C)n3)C2)ccc1OC ZINC000508038763 916867783 /nfs/dbraw/zinc/86/77/83/916867783.db2.gz NNXKPYZFVVJTKI-FQEVSTJZSA-N 1 0 409.530 4.204 20 30 HIEDRO COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCSCc1ccccc1C#N ZINC000508337790 917141026 /nfs/dbraw/zinc/14/10/26/917141026.db2.gz HJAIOXCROUEIEX-HNNXBMFYSA-N 1 0 417.962 4.460 20 30 HIEDRO C=CCn1c(Cc2ccsc2)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508460452 917245461 /nfs/dbraw/zinc/24/54/61/917245461.db2.gz CRRQHYCYVBOUQG-OAQYLSRUSA-N 1 0 407.587 4.075 20 30 HIEDRO C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508498885 917284071 /nfs/dbraw/zinc/28/40/71/917284071.db2.gz VXPSRNJPCAXMLZ-CQSZACIVSA-N 1 0 424.412 4.123 20 30 HIEDRO C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000508507563 917293879 /nfs/dbraw/zinc/29/38/79/917293879.db2.gz ICAPFZOWTFXWHP-QFIPXVFZSA-N 1 0 409.578 4.089 20 30 HIEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000508719749 917482538 /nfs/dbraw/zinc/48/25/38/917482538.db2.gz PFWHSYVLJCZBTQ-UHFFFAOYSA-N 1 0 419.422 4.453 20 30 HIEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508745553 917503304 /nfs/dbraw/zinc/50/33/04/917503304.db2.gz GDLRFMKYMKSENI-YADHBBJMSA-N 1 0 423.605 4.442 20 30 HIEDRO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508814783 917568935 /nfs/dbraw/zinc/56/89/35/917568935.db2.gz WKQKNTPNKMQYIQ-WWNPGLIZSA-N 1 0 405.590 4.459 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508886590 917642359 /nfs/dbraw/zinc/64/23/59/917642359.db2.gz CEHMTBHAMMBPQT-GOSISDBHSA-N 1 0 413.541 4.198 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508956185 917713130 /nfs/dbraw/zinc/71/31/30/917713130.db2.gz NPFJWIUSHFVLOB-MOPGFXCFSA-N 1 0 413.541 4.055 20 30 HIEDRO C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508999332 917753307 /nfs/dbraw/zinc/75/33/07/917753307.db2.gz VVFDSJZOLAWEHG-ROUUACIJSA-N 1 0 417.985 4.426 20 30 HIEDRO C=CCn1c(CCc2ccco2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000509002076 917756679 /nfs/dbraw/zinc/75/66/79/917756679.db2.gz PUXUPXZDHFUZCU-FQEVSTJZSA-N 1 0 411.594 4.323 20 30 HIEDRO COc1cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)ccc1OCC(F)(F)F ZINC000509099161 917838448 /nfs/dbraw/zinc/83/84/48/917838448.db2.gz NDJGMTLLSDWRDJ-UHFFFAOYSA-N 1 0 419.447 4.220 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(Cl)c(Br)c1 ZINC000509683304 918314789 /nfs/dbraw/zinc/31/47/89/918314789.db2.gz ZHIDVFSYZHOGDU-UHFFFAOYSA-N 1 0 420.738 4.178 20 30 HIEDRO Cc1cc(C[N@H+](C)Cc2cnc3ccc(C#N)cn23)cc(C)c1OCC(F)(F)F ZINC000510173929 918724701 /nfs/dbraw/zinc/72/47/01/918724701.db2.gz DMYNBWNOGPIPIY-UHFFFAOYSA-N 1 0 402.420 4.396 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000510507283 918954723 /nfs/dbraw/zinc/95/47/23/918954723.db2.gz YMYWOIXBLLDUQQ-OAQYLSRUSA-N 1 0 410.518 4.170 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1OC ZINC000510524781 918970811 /nfs/dbraw/zinc/97/08/11/918970811.db2.gz QNMKAFPRNDWOBY-HNNXBMFYSA-N 1 0 406.324 4.125 20 30 HIEDRO C[C@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510551204 918996809 /nfs/dbraw/zinc/99/68/09/918996809.db2.gz OOVPLPJPVOOYDW-FUHWJXTLSA-N 1 0 407.480 4.009 20 30 HIEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[NH+](C)C ZINC000510554064 918998463 /nfs/dbraw/zinc/99/84/63/918998463.db2.gz SMVXXDFCIVCCHI-AUSIDOKSSA-N 1 0 415.541 4.193 20 30 HIEDRO C[C@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510787647 919254732 /nfs/dbraw/zinc/25/47/32/919254732.db2.gz MFKKFDXQTRMFLG-PKOBYXMFSA-N 1 0 407.514 4.113 20 30 HIEDRO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000510984338 919537999 /nfs/dbraw/zinc/53/79/99/919537999.db2.gz KCOKRJKADRUBDI-SANMLTNESA-N 1 0 416.613 4.413 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000511321261 919911806 /nfs/dbraw/zinc/91/18/06/919911806.db2.gz JVYHDNVZLCHPOR-QFIPXVFZSA-N 1 0 418.541 4.424 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)cc1 ZINC000511396197 920007923 /nfs/dbraw/zinc/00/79/23/920007923.db2.gz GNCXMVBCXDQBHH-LJQANCHMSA-N 1 0 420.557 4.299 20 30 HIEDRO C[C@H]([NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1)C(=O)NC1(C#N)CCCCC1 ZINC000511603706 920249641 /nfs/dbraw/zinc/24/96/41/920249641.db2.gz IIHPVBQWNHKQAT-KSSFIOAISA-N 1 0 409.452 4.357 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(C(=O)N2CCCCC2)c1)C(C)C ZINC000511628464 920290189 /nfs/dbraw/zinc/29/01/89/920290189.db2.gz NJRKGAQJIONPTO-JOCHJYFZSA-N 1 0 412.578 4.133 20 30 HIEDRO N#CCCCOc1cccc(C[N@H+]2CCCN(C(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000511638786 920302483 /nfs/dbraw/zinc/30/24/83/920302483.db2.gz BSALZOICQZSLPF-UHFFFAOYSA-N 1 0 411.933 4.371 20 30 HIEDRO C[C@@](C#N)(CCc1ccccc1)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000511710619 920375738 /nfs/dbraw/zinc/37/57/38/920375738.db2.gz UROKOUMQAJXVDZ-GMAHTHKFSA-N 1 0 411.496 4.175 20 30 HIEDRO C=C(C)COc1cc(C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)ccc1OC ZINC000511781447 920472576 /nfs/dbraw/zinc/47/25/76/920472576.db2.gz NVMJKHTVIUWAOL-UHFFFAOYSA-N 1 0 415.578 4.246 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c1C ZINC000511797259 920490740 /nfs/dbraw/zinc/49/07/40/920490740.db2.gz NDCRDMLUFNZOAU-OYRHQHFDSA-N 1 0 417.553 4.055 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1C ZINC000511797261 920490823 /nfs/dbraw/zinc/49/08/23/920490823.db2.gz NDCRDMLUFNZOAU-VDKIKQQVSA-N 1 0 417.553 4.055 20 30 HIEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000511807723 920502729 /nfs/dbraw/zinc/50/27/29/920502729.db2.gz FCINUOKXZBHRDU-UXHICEINSA-N 1 0 422.472 4.277 20 30 HIEDRO O=C(N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1cc(F)c(F)c(F)c1F ZINC000511832664 920539440 /nfs/dbraw/zinc/53/94/40/920539440.db2.gz QOOWPOXUORODDS-LBPRGKRZSA-N 1 0 420.328 4.266 20 30 HIEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000511837664 920547910 /nfs/dbraw/zinc/54/79/10/920547910.db2.gz IIURYDDUQHXDND-HMXCVIKNSA-N 1 0 404.432 4.243 20 30 HIEDRO N#Cc1ccc(SCC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000511841852 920554389 /nfs/dbraw/zinc/55/43/89/920554389.db2.gz DSTQYSUEEVHFRG-GOSISDBHSA-N 1 0 419.472 4.060 20 30 HIEDRO C[C@@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccc(C#N)cc1 ZINC000512019597 920794562 /nfs/dbraw/zinc/79/45/62/920794562.db2.gz IABXTCURSOWTSV-FOIQADDNSA-N 1 0 416.447 4.212 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000512151963 920893451 /nfs/dbraw/zinc/89/34/51/920893451.db2.gz JPHBLPLSZUFPFD-JPYJTQIMSA-N 1 0 422.573 4.425 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000512347323 921092157 /nfs/dbraw/zinc/09/21/57/921092157.db2.gz OHZSPYRXGAOIMH-PGRDOPGGSA-N 1 0 423.582 4.391 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[N@@H+]3CCC[C@H](c4nnc5n4CCC5)C3)c2)c1 ZINC000513672318 921995085 /nfs/dbraw/zinc/99/50/85/921995085.db2.gz JHSBXYQYFYNUDX-QFIPXVFZSA-N 1 0 413.525 4.055 20 30 HIEDRO Cc1ccc(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c(OC[C@@H]2CCCO2)c1 ZINC000513713446 922032591 /nfs/dbraw/zinc/03/25/91/922032591.db2.gz OTIULISLKHNIED-DEOSSOPVSA-N 1 0 405.542 4.183 20 30 HIEDRO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000513728988 922049732 /nfs/dbraw/zinc/04/97/32/922049732.db2.gz LIZNJBFBUYTKML-UHFFFAOYSA-N 1 0 420.465 4.143 20 30 HIEDRO COc1ccc(C[NH+]2CCC(Oc3ccc(C#N)cc3)CC2)cc1OCCCC#N ZINC000513745698 922067744 /nfs/dbraw/zinc/06/77/44/922067744.db2.gz DZYLASMXHBGNFF-UHFFFAOYSA-N 1 0 405.498 4.293 20 30 HIEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000513751114 922070797 /nfs/dbraw/zinc/07/07/97/922070797.db2.gz WZSLMEYWWHTOAJ-PKOBYXMFSA-N 1 0 405.832 4.018 20 30 HIEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000513790020 922117344 /nfs/dbraw/zinc/11/73/44/922117344.db2.gz QVBZDDRHZBKWAN-HNNXBMFYSA-N 1 0 403.935 4.393 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000514706307 922769502 /nfs/dbraw/zinc/76/95/02/922769502.db2.gz HLFKQZQXFBZURS-DOMZBBRYSA-N 1 0 419.157 4.291 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@@H]1c1cccs1 ZINC000514852996 922825166 /nfs/dbraw/zinc/82/51/66/922825166.db2.gz YQDNMLWIRUIWBK-DENIHFKCSA-N 1 0 408.571 4.377 20 30 HIEDRO COc1cc(C#N)ccc1OCC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000516536768 923786628 /nfs/dbraw/zinc/78/66/28/923786628.db2.gz RFWKZIRQFBNMRW-UHFFFAOYSA-N 1 0 420.431 4.260 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccc(CN3CCc4ccccc43)cc2)CC1 ZINC000517318184 924099449 /nfs/dbraw/zinc/09/94/49/924099449.db2.gz RNEFJCKUPRULSA-UHFFFAOYSA-N 1 0 418.585 4.089 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCc2ccc(-c3csc(C)n3)s2)CC1 ZINC000517319568 924100718 /nfs/dbraw/zinc/10/07/18/924100718.db2.gz ZNVIZWPRHVUZRK-UHFFFAOYSA-N 1 0 404.605 4.062 20 30 HIEDRO C=CCOc1ccccc1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000517509082 924237935 /nfs/dbraw/zinc/23/79/35/924237935.db2.gz YEIQBNZMLYKVLN-UHFFFAOYSA-N 1 0 407.514 4.318 20 30 HIEDRO Cc1nn(CCC#N)c(C)c1CCc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000517631705 926740680 /nfs/dbraw/zinc/74/06/80/926740680.db2.gz YAYRYXGBCFKJMF-UHFFFAOYSA-N 1 0 418.545 4.235 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)ccc1OC ZINC000518302665 927163077 /nfs/dbraw/zinc/16/30/77/927163077.db2.gz LCALOYHPQDXALL-HXUWFJFHSA-N 1 0 409.505 4.419 20 30 HIEDRO N#C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccc(C(F)(F)F)c1 ZINC000518849240 927553866 /nfs/dbraw/zinc/55/38/66/927553866.db2.gz VNXRGEGSXQDIBM-PXNSSMCTSA-N 1 0 419.422 4.438 20 30 HIEDRO Cc1ccc([C@H](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[NH+](C)C)cc1 ZINC000518919413 927627958 /nfs/dbraw/zinc/62/79/58/927627958.db2.gz VKNWQPYIPGHHSG-QFIPXVFZSA-N 1 0 400.482 4.087 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)NCC2(c3cccc(C(F)(F)F)c3)CCCC2)CC1 ZINC000519301550 927871194 /nfs/dbraw/zinc/87/11/94/927871194.db2.gz KJQUAFHNEISTOG-UHFFFAOYSA-N 1 0 409.496 4.467 20 30 HIEDRO C=CCN(CCc1ccccc1)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000519487428 927984109 /nfs/dbraw/zinc/98/41/09/927984109.db2.gz GFXNKOMSVWUTFU-FGZHOGPDSA-N 1 0 421.585 4.236 20 30 HIEDRO COc1ccc([C@H](NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)C2CC2)cc1 ZINC000520173782 928363989 /nfs/dbraw/zinc/36/39/89/928363989.db2.gz BHYAFVNXCUGXBJ-RUZDIDTESA-N 1 0 405.542 4.292 20 30 HIEDRO Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(Cc1ccc(C#N)cc1)CC(C)C ZINC000520174949 928366118 /nfs/dbraw/zinc/36/61/18/928366118.db2.gz LTMIRUZOSDRCQA-UHFFFAOYSA-N 1 0 419.573 4.309 20 30 HIEDRO Cn1cc(-c2ccc3c(c2)C(C)(C)CN3CC2CN(Cc3cc(C#N)cs3)C2)cn1 ZINC000520255539 928421816 /nfs/dbraw/zinc/42/18/16/928421816.db2.gz QQSWBQPYCKTXNV-UHFFFAOYSA-N 1 0 417.582 4.250 20 30 HIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000520778471 928812921 /nfs/dbraw/zinc/81/29/21/928812921.db2.gz DINNROOVRDOFIQ-AHWVRZQESA-N 1 0 417.553 4.086 20 30 HIEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000521061715 928967882 /nfs/dbraw/zinc/96/78/82/928967882.db2.gz LCSWHRKVIFTJFH-XMMPIXPASA-N 1 0 407.558 4.272 20 30 HIEDRO N#Cc1ccccc1OC1CCC(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000521113035 929003455 /nfs/dbraw/zinc/00/34/55/929003455.db2.gz WHDKIZDGMONOCS-BOMBAVFCSA-N 1 0 417.553 4.277 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)c2sc(-c3ccc(F)cc3)nc2C)CC1 ZINC000521240239 929074220 /nfs/dbraw/zinc/07/42/20/929074220.db2.gz KWRKOXHTMOURFX-OAHLLOKOSA-N 1 0 402.539 4.268 20 30 HIEDRO N#Cc1cccc(OCCCCC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)c1 ZINC000521957705 929594718 /nfs/dbraw/zinc/59/47/18/929594718.db2.gz SNQMRYSVEMVEMR-UHFFFAOYSA-N 1 0 423.582 4.337 20 30 HIEDRO C=CCNC(=O)Nc1ccc(NC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)cc1 ZINC000521960338 929597732 /nfs/dbraw/zinc/59/77/32/929597732.db2.gz QUGVURKXYBVFDR-IBGZPJMESA-N 1 0 420.557 4.276 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(OC(F)F)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000525248523 930104829 /nfs/dbraw/zinc/10/48/29/930104829.db2.gz MALZSXHAMMAPIW-LSDHHAIUSA-N 1 0 405.420 4.413 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)CC2(c3ccc(Br)cc3)CC2)CC1 ZINC000525462272 930255489 /nfs/dbraw/zinc/25/54/89/930255489.db2.gz GMPQPFIBCFYGCV-UHFFFAOYSA-N 1 0 420.395 4.163 20 30 HIEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)Cc4cccc(C#N)c4)cc3)CC2)c1 ZINC000530670285 930793171 /nfs/dbraw/zinc/79/31/71/930793171.db2.gz OEMDJCPJHWXSJI-UHFFFAOYSA-N 1 0 424.548 4.370 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)c1 ZINC000530967364 930870937 /nfs/dbraw/zinc/87/09/37/930870937.db2.gz JXSMYXSJRLHSIH-SFHVURJKSA-N 1 0 417.431 4.283 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c1ccc(Cl)cc1 ZINC000531471865 931070528 /nfs/dbraw/zinc/07/05/28/931070528.db2.gz OPVAKGHFPHFOCZ-BHDDXSALSA-N 1 0 410.949 4.424 20 30 HIEDRO N#CCCn1cc(C[NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)c(-c2ccccc2)n1 ZINC000531524272 931091529 /nfs/dbraw/zinc/09/15/29/931091529.db2.gz YICCURPVEQOVBO-LJQANCHMSA-N 1 0 407.468 4.110 20 30 HIEDRO COc1ccccc1-c1ccc([C@@H](C)[N@H+](C)CC(=O)N(CCC#N)CCC#N)cc1 ZINC000531587808 931111114 /nfs/dbraw/zinc/11/11/14/931111114.db2.gz DUNWKRGMXMNYMX-LJQANCHMSA-N 1 0 404.514 4.011 20 30 HIEDRO CC(C)[C@@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)[NH+](C)C ZINC000531766418 931188862 /nfs/dbraw/zinc/18/88/62/931188862.db2.gz UTYSUQILHRAJJM-INIZCTEOSA-N 1 0 410.465 4.149 20 30 HIEDRO COc1ccc(C[NH2+][C@H]2CCN(c3c(F)cccc3F)C2)cc1OCCCC#N ZINC000532035023 931292840 /nfs/dbraw/zinc/29/28/40/931292840.db2.gz IZPKVOPSBNHQIC-KRWDZBQOSA-N 1 0 401.457 4.024 20 30 HIEDRO CC[C@H](C)[C@H]([NH2+]Cc1ccc(C#N)cc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000532569225 931529775 /nfs/dbraw/zinc/52/97/75/931529775.db2.gz ROOVANSWVAFPGV-SBUREZEXSA-N 1 0 408.521 4.441 20 30 HIEDRO CC[C@@H](C)[C@@H]([NH2+]Cc1ccc(C#N)cc1F)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000532569228 931529911 /nfs/dbraw/zinc/52/99/11/931529911.db2.gz ROOVANSWVAFPGV-UZUQRXQVSA-N 1 0 408.521 4.441 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c1C ZINC000532711037 931602402 /nfs/dbraw/zinc/60/24/02/931602402.db2.gz DJWTVRUHLPIOGJ-UHFFFAOYSA-N 1 0 415.541 4.306 20 30 HIEDRO C=CCOc1ccccc1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000532886514 931678438 /nfs/dbraw/zinc/67/84/38/931678438.db2.gz KQIGJVYAROOTGL-UHFFFAOYSA-N 1 0 417.347 4.140 20 30 HIEDRO CC(C)C[N@H+](CC(=O)N1CCC(OCc2ccccc2)CC1)Cc1ccc(C#N)cc1 ZINC000532933532 931702568 /nfs/dbraw/zinc/70/25/68/931702568.db2.gz SAKMEERLZRMLFT-UHFFFAOYSA-N 1 0 419.569 4.224 20 30 HIEDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000533224282 931814195 /nfs/dbraw/zinc/81/41/95/931814195.db2.gz KIJBSQTVRQBGJM-OAQYLSRUSA-N 1 0 407.905 4.323 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+](Cc1ccccc1)CC1CCOCC1)CCC2 ZINC000533286996 931828373 /nfs/dbraw/zinc/82/83/73/931828373.db2.gz AIDRVRBHHPUZAE-UHFFFAOYSA-N 1 0 423.582 4.366 20 30 HIEDRO N#CCC[C@@H]([NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)c1ccccc1 ZINC000533359849 931848189 /nfs/dbraw/zinc/84/81/89/931848189.db2.gz XRZZEESPZOZLKM-JOCHJYFZSA-N 1 0 413.949 4.186 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000533408913 931860845 /nfs/dbraw/zinc/86/08/45/931860845.db2.gz MEJSNWGGQADHOA-MSOLQXFVSA-N 1 0 414.619 4.023 20 30 HIEDRO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000533432130 931867258 /nfs/dbraw/zinc/86/72/58/931867258.db2.gz WATJMBPVKCNSQK-ZLGUVYLKSA-N 1 0 415.603 4.353 20 30 HIEDRO CCC[NH+]1CCC(N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC000533447751 931872724 /nfs/dbraw/zinc/87/27/24/931872724.db2.gz DOYDYWWBJCRMJA-UHFFFAOYSA-N 1 0 413.610 4.227 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c1 ZINC000533518147 931891750 /nfs/dbraw/zinc/89/17/50/931891750.db2.gz QZTHGXOPRYLNAN-UHFFFAOYSA-N 1 0 415.541 4.306 20 30 HIEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(Nc3cccc(C)c3)CC2)c(OC)c1 ZINC000533529711 931895284 /nfs/dbraw/zinc/89/52/84/931895284.db2.gz IEMYRGDGWFHVOO-HSZRJFAPSA-N 1 0 410.558 4.048 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]CCc2c[nH]c3ncccc23)cc1OC ZINC000533562337 931901823 /nfs/dbraw/zinc/90/18/23/931901823.db2.gz FFUCOIDXBFFRFC-UHFFFAOYSA-N 1 0 416.319 4.231 20 30 HIEDRO C=C[C@@H](CC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1)c1ccccc1 ZINC000533936329 932109997 /nfs/dbraw/zinc/10/99/97/932109997.db2.gz AYQYYUQCMCTQNL-CVDCTZTESA-N 1 0 405.542 4.151 20 30 HIEDRO Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000534959154 932859975 /nfs/dbraw/zinc/85/99/75/932859975.db2.gz CYLJRBMQEBVBQF-JXFKEZNVSA-N 1 0 400.885 4.474 20 30 HIEDRO COc1ccc(Br)c(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000535068271 932896731 /nfs/dbraw/zinc/89/67/31/932896731.db2.gz PKKXTQQWQWMUCQ-UHFFFAOYSA-N 1 0 414.347 4.037 20 30 HIEDRO C=C[C@H](CC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)c1ccccc1 ZINC000535372659 933098941 /nfs/dbraw/zinc/09/89/41/933098941.db2.gz FOQLKCDZAYVLHY-HSZRJFAPSA-N 1 0 405.586 4.373 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc(C#N)c1 ZINC000537478455 933790631 /nfs/dbraw/zinc/79/06/31/933790631.db2.gz TVXUJTDHJTWRKH-FOIQADDNSA-N 1 0 401.432 4.419 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1cccc(C#N)c1 ZINC000537478458 933790665 /nfs/dbraw/zinc/79/06/65/933790665.db2.gz TVXUJTDHJTWRKH-QRWLVFNGSA-N 1 0 401.432 4.419 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3(c4ccc(Br)cc4)CC3)C2=O)cc1 ZINC000562619923 945108584 /nfs/dbraw/zinc/10/85/84/945108584.db2.gz RNTONOOKYPPFIO-LJQANCHMSA-N 1 0 410.315 4.095 20 30 HIEDRO N#Cc1ccc(C(=O)Nc2cccc(N3CC[NH+](CCc4ccccc4)CC3)c2)s1 ZINC000537824936 938384668 /nfs/dbraw/zinc/38/46/68/938384668.db2.gz VBHMCBUQVOSCME-UHFFFAOYSA-N 1 0 416.550 4.237 20 30 HIEDRO C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000563316877 945178121 /nfs/dbraw/zinc/17/81/21/945178121.db2.gz ZHCOGHMPADKSKQ-KUHUBIRLSA-N 1 0 420.435 4.312 20 30 HIEDRO COc1cc(C#N)ccc1C[NH2+][C@@H](C)c1ccc(OCc2ccncc2)c(OC)c1 ZINC000538149801 938522092 /nfs/dbraw/zinc/52/20/92/938522092.db2.gz FKWRVQSBYDZQGF-KRWDZBQOSA-N 1 0 403.482 4.400 20 30 HIEDRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000538174219 938535662 /nfs/dbraw/zinc/53/56/62/938535662.db2.gz AWGGSMWSGBCQBG-JOCHJYFZSA-N 1 0 409.505 4.050 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1C#N ZINC000538175606 938536701 /nfs/dbraw/zinc/53/67/01/938536701.db2.gz NHRRTOZMJZOUEH-OAHLLOKOSA-N 1 0 409.490 4.289 20 30 HIEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H](c1ccccc1F)C1CCCC1 ZINC000538224832 938564392 /nfs/dbraw/zinc/56/43/92/938564392.db2.gz MCXNWLMEWASOFV-HSZRJFAPSA-N 1 0 417.488 4.343 20 30 HIEDRO C=CCC[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000538228944 938566258 /nfs/dbraw/zinc/56/62/58/938566258.db2.gz BVJUUGDPDYHOPK-HXUWFJFHSA-N 1 0 401.432 4.490 20 30 HIEDRO N#CCCN(C(=O)C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)c1cccc(Cl)c1 ZINC000538231483 938566493 /nfs/dbraw/zinc/56/64/93/938566493.db2.gz PIUDJFZPUMQTGQ-XMSQKQJNSA-N 1 0 411.933 4.344 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CC[C@@H](C[N@H+](C)CC)C2)cc1OCC ZINC000538752253 938702708 /nfs/dbraw/zinc/70/27/08/938702708.db2.gz SXXGVDCUAGMSRW-INIZCTEOSA-N 1 0 411.384 4.186 20 30 HIEDRO CCc1nc2ccccc2n1C1CC[NH+](CCC(=O)Nc2ccccc2C#N)CC1 ZINC000538954547 938748040 /nfs/dbraw/zinc/74/80/40/938748040.db2.gz QOGLYQYINNQSBR-UHFFFAOYSA-N 1 0 401.514 4.136 20 30 HIEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1cccc(NS(C)(=O)=O)c1 ZINC000539214283 938819664 /nfs/dbraw/zinc/81/96/64/938819664.db2.gz GQDQBPJMSDQRSW-KRWDZBQOSA-N 1 0 405.523 4.448 20 30 HIEDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CC(=O)Nc2ccccc2SC[C@@H](C)C#N)c1 ZINC000539232528 938822840 /nfs/dbraw/zinc/82/28/40/938822840.db2.gz HREMIPVTYNSSOE-JKSUJKDBSA-N 1 0 410.543 4.186 20 30 HIEDRO CCCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)cc1OC ZINC000539253110 938826758 /nfs/dbraw/zinc/82/67/58/938826758.db2.gz KOCGBJDXACPKSA-AWEZNQCLSA-N 1 0 401.894 4.298 20 30 HIEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccc(OCc2ccccn2)c1 ZINC000539252868 938826849 /nfs/dbraw/zinc/82/68/49/938826849.db2.gz POJGXVQNWWGGPE-FQEVSTJZSA-N 1 0 414.509 4.258 20 30 HIEDRO CC[C@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000539277225 938831934 /nfs/dbraw/zinc/83/19/34/938831934.db2.gz OLAUBKAOLWMQLL-IBGZPJMESA-N 1 0 413.905 4.099 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000539277451 938832052 /nfs/dbraw/zinc/83/20/52/938832052.db2.gz YERQPKPQHAHLQA-INIZCTEOSA-N 1 0 416.456 4.239 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccc(-n2cccn2)c1 ZINC000539287987 938833878 /nfs/dbraw/zinc/83/38/78/938833878.db2.gz GDATTWGWTWKQIN-INIZCTEOSA-N 1 0 419.554 4.364 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(OCC2CC2)c(F)c1 ZINC000539327285 938842205 /nfs/dbraw/zinc/84/22/05/938842205.db2.gz VRSSGGQMCMDIBX-CYBMUJFWSA-N 1 0 401.869 4.429 20 30 HIEDRO COC[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccc(F)c(F)c1 ZINC000539326963 938842335 /nfs/dbraw/zinc/84/23/35/938842335.db2.gz RIALDYGYAIHWBE-GOSISDBHSA-N 1 0 419.497 4.083 20 30 HIEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000539333185 938843201 /nfs/dbraw/zinc/84/32/01/938843201.db2.gz TZFUDTGVOQZIEH-UKILVPOCSA-N 1 0 400.526 4.093 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539491355 938867838 /nfs/dbraw/zinc/86/78/38/938867838.db2.gz QJZISTWVXJNPPC-OPAMFIHVSA-N 1 0 412.555 4.163 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000539623394 938889493 /nfs/dbraw/zinc/88/94/93/938889493.db2.gz XJCSHWDNKRHILC-UHFFFAOYSA-N 1 0 415.459 4.465 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)cc1OC ZINC000539899158 938971814 /nfs/dbraw/zinc/97/18/14/938971814.db2.gz ADUOUCXIUPXUPL-IRXDYDNUSA-N 1 0 410.352 4.271 20 30 HIEDRO C[C@@H](CCO)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1 ZINC000540057123 939053337 /nfs/dbraw/zinc/05/33/37/939053337.db2.gz YEBVTGPKKJNUKQ-KRWDZBQOSA-N 1 0 411.571 4.100 20 30 HIEDRO CC[C@H](CSC)[N@H+](C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000540199543 939123522 /nfs/dbraw/zinc/12/35/22/939123522.db2.gz YWNCPWISGYJSQE-QGZVFWFLSA-N 1 0 402.564 4.020 20 30 HIEDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)Nc2sc3c(c2C#N)CCCCC3)c1 ZINC000540330053 939197189 /nfs/dbraw/zinc/19/71/89/939197189.db2.gz AAPQEMGAUDISPX-AWEZNQCLSA-N 1 0 410.543 4.136 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)c1C ZINC000540342586 939200931 /nfs/dbraw/zinc/20/09/31/939200931.db2.gz XSSOMSCEDOVMMV-VWLOTQADSA-N 1 0 421.541 4.308 20 30 HIEDRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2cccc(C#N)c2)cc1Br ZINC000540370699 939213942 /nfs/dbraw/zinc/21/39/42/939213942.db2.gz UWPMYSXMHNUFAS-ZDUSSCGKSA-N 1 0 402.292 4.009 20 30 HIEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2)c1 ZINC000540380572 939220252 /nfs/dbraw/zinc/22/02/52/939220252.db2.gz PCDOCPNHAIQAOL-DEOSSOPVSA-N 1 0 404.535 4.296 20 30 HIEDRO Cc1ccccc1[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)(C)C ZINC000540459870 939261408 /nfs/dbraw/zinc/26/14/08/939261408.db2.gz SOGGJUMHVXWDND-JOCHJYFZSA-N 1 0 401.514 4.368 20 30 HIEDRO C[C@@H]1C[C@@H]1[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000540522557 939286487 /nfs/dbraw/zinc/28/64/87/939286487.db2.gz WGWYNQXJVLHNKX-UPKQVVFYSA-N 1 0 419.916 4.323 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000540605562 939317284 /nfs/dbraw/zinc/31/72/84/939317284.db2.gz AYIPPYGWUCKXBZ-PKTZIBPZSA-N 1 0 413.924 4.435 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]CCCc3nc(-c4ccncc4)cs3)CC2)cc1 ZINC000540607431 939318010 /nfs/dbraw/zinc/31/80/10/939318010.db2.gz TVSCKOALTTUZJO-UHFFFAOYSA-N 1 0 417.582 4.264 20 30 HIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1 ZINC000541027755 939435089 /nfs/dbraw/zinc/43/50/89/939435089.db2.gz KUJQOBCYDZTBEI-PYQXHLOTSA-N 1 0 407.562 4.151 20 30 HIEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000563694119 945252026 /nfs/dbraw/zinc/25/20/26/945252026.db2.gz YQJMCDYWCGLSHK-CQSZACIVSA-N 1 0 405.468 4.254 20 30 HIEDRO CC(=O)Nc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000541090364 939456376 /nfs/dbraw/zinc/45/63/76/939456376.db2.gz OFNUNXLVFMQATI-KRWDZBQOSA-N 1 0 412.493 4.473 20 30 HIEDRO C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541117054 939466155 /nfs/dbraw/zinc/46/61/55/939466155.db2.gz GEJUWCKGUZSSLR-GAJHUEQPSA-N 1 0 408.571 4.023 20 30 HIEDRO Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](Cc1ccc(C#N)cc1)C1CC1 ZINC000541391230 939504016 /nfs/dbraw/zinc/50/40/16/939504016.db2.gz ZQUAFSFNWJTDDO-UHFFFAOYSA-N 1 0 413.525 4.354 20 30 HIEDRO COc1ccccc1[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)[NH+]1CCCC1 ZINC000541451693 939519861 /nfs/dbraw/zinc/51/98/61/939519861.db2.gz YQOJSXFUBKRTIW-HSZRJFAPSA-N 1 0 418.541 4.078 20 30 HIEDRO COc1ccccc1C[C@@H]([NH2+][C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)C(C)C ZINC000541634820 939578430 /nfs/dbraw/zinc/57/84/30/939578430.db2.gz WAKOTAAGLLQDOM-HNAYVOBHSA-N 1 0 411.571 4.301 20 30 HIEDRO Cc1cnc([C@H](C)[NH2+]CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)s1 ZINC000541687000 939602458 /nfs/dbraw/zinc/60/24/58/939602458.db2.gz IRTIYBVSBGFSTJ-HNNXBMFYSA-N 1 0 411.531 4.062 20 30 HIEDRO C[C@H]([NH2+]CC(=O)N(CCC#N)CCC#N)c1ccc(-c2ccc(Cl)cc2)s1 ZINC000541701669 939609233 /nfs/dbraw/zinc/60/92/33/939609233.db2.gz VQKYKJBQSSLHRL-HNNXBMFYSA-N 1 0 400.935 4.375 20 30 HIEDRO C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000541703704 939609823 /nfs/dbraw/zinc/60/98/23/939609823.db2.gz NSFLNGQIJLTDCY-UYAOXDASSA-N 1 0 401.869 4.141 20 30 HIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(C)c2C)cc1 ZINC000541957585 939662747 /nfs/dbraw/zinc/66/27/47/939662747.db2.gz GQDUSYWYGYFCER-FQEVSTJZSA-N 1 0 415.541 4.395 20 30 HIEDRO C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542017658 939687515 /nfs/dbraw/zinc/68/75/15/939687515.db2.gz NLEIJNRCKLLYCO-SFHVURJKSA-N 1 0 420.534 4.358 20 30 HIEDRO CC[NH+](CC)CCCC1CCN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)CC1 ZINC000542096012 939711894 /nfs/dbraw/zinc/71/18/94/939711894.db2.gz NSOKUBSOIZLRON-UHFFFAOYSA-N 1 0 416.635 4.331 20 30 HIEDRO C[C@@H](CCNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[NH+]1CCCCC1 ZINC000542364607 939808090 /nfs/dbraw/zinc/80/80/90/939808090.db2.gz NCKYKXKSLDHSGJ-SFHVURJKSA-N 1 0 419.529 4.197 20 30 HIEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C(c1ccccc1)c1ccccc1 ZINC000542554835 939842811 /nfs/dbraw/zinc/84/28/11/939842811.db2.gz FIQIGIUDXNLXLL-LJQANCHMSA-N 1 0 404.535 4.142 20 30 HIEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000542586106 939846522 /nfs/dbraw/zinc/84/65/22/939846522.db2.gz YCQHGZBJGVJJLT-IFXJQAMLSA-N 1 0 411.502 4.220 20 30 HIEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000542586105 939846536 /nfs/dbraw/zinc/84/65/36/939846536.db2.gz YCQHGZBJGVJJLT-AUUYWEPGSA-N 1 0 411.502 4.220 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1Oc2ccccc2[C@@H]1C ZINC000542617564 939849114 /nfs/dbraw/zinc/84/91/14/939849114.db2.gz BXQPREJIADQMNZ-DFFLPILJSA-N 1 0 409.555 4.370 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934040 939881291 /nfs/dbraw/zinc/88/12/91/939881291.db2.gz GVAKHDGJDZHAAP-FOIQADDNSA-N 1 0 401.432 4.429 20 30 HIEDRO COc1cccc(COC[C@@H](O)C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c1 ZINC000542944685 939883492 /nfs/dbraw/zinc/88/34/92/939883492.db2.gz DFQDUDCIULPWNF-DFBJGRDBSA-N 1 0 416.521 4.462 20 30 HIEDRO C[C@H](NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543016335 939895648 /nfs/dbraw/zinc/89/56/48/939895648.db2.gz IFRIZFGVDCZBKM-PZJWPPBQSA-N 1 0 402.542 4.414 20 30 HIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1 ZINC000543813527 940195054 /nfs/dbraw/zinc/19/50/54/940195054.db2.gz GGUKVUJZQDSTDZ-KRWDZBQOSA-N 1 0 421.932 4.432 20 30 HIEDRO COc1ccccc1C[C@@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C(C)C ZINC000544461071 940440931 /nfs/dbraw/zinc/44/09/31/940440931.db2.gz GSRLFSWKTRDXOJ-XMSQKQJNSA-N 1 0 411.521 4.326 20 30 HIEDRO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[NH2+]C(C)(C)c2ccc(C)nc2)c1C#N ZINC000545396138 940568319 /nfs/dbraw/zinc/56/83/19/940568319.db2.gz XJVKEFXTKDUHRJ-UHFFFAOYSA-N 1 0 419.504 4.272 20 30 HIEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+]C(C)(C)c2ccc(C)nc2)c1C#N ZINC000545396346 940568337 /nfs/dbraw/zinc/56/83/37/940568337.db2.gz JLDGKKBDNYGNLA-UHFFFAOYSA-N 1 0 401.514 4.133 20 30 HIEDRO C=C(C)[C@@H](Cc1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1)OCC ZINC000545766909 940584718 /nfs/dbraw/zinc/58/47/18/940584718.db2.gz FYQCSMJECQNHHU-LJQANCHMSA-N 1 0 404.942 4.056 20 30 HIEDRO COc1cc(C#N)ccc1NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000546004923 940673367 /nfs/dbraw/zinc/67/33/67/940673367.db2.gz YOJMEPCVVIILDZ-QGZVFWFLSA-N 1 0 406.408 4.010 20 30 HIEDRO C=CCNC(=O)c1cccc(-c2noc([C@H]3CCC[N@@H+](Cc4cccc(F)c4)C3)n2)c1 ZINC000546362707 940801897 /nfs/dbraw/zinc/80/18/97/940801897.db2.gz IXJMPSMEZFHAKJ-FQEVSTJZSA-N 1 0 420.488 4.171 20 30 HIEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CC=C(c2cccc(Br)c2)CC1 ZINC000546588064 940858639 /nfs/dbraw/zinc/85/86/39/940858639.db2.gz FASLYRYTHDKXCL-UHFFFAOYSA-N 1 0 410.315 4.439 20 30 HIEDRO COc1cc(C#N)ccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000547417083 941061466 /nfs/dbraw/zinc/06/14/66/941061466.db2.gz OZWDZJFSIDPGRB-UHFFFAOYSA-N 1 0 420.435 4.181 20 30 HIEDRO CCOc1cc(C[NH+]2CCC(CC#N)CC2)ccc1OCc1ccc(C(=O)OC)o1 ZINC000547849184 941078412 /nfs/dbraw/zinc/07/84/12/941078412.db2.gz PEEUKLJBXDYSAB-UHFFFAOYSA-N 1 0 412.486 4.170 20 30 HIEDRO C[N@H+](CCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)C1CCCCC1 ZINC000548388570 941099215 /nfs/dbraw/zinc/09/92/15/941099215.db2.gz VPLFNTRWLQSQJK-UHFFFAOYSA-N 1 0 415.588 4.295 20 30 HIEDRO Cc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)c(-c2ccnn2C)c1 ZINC000549251119 941174159 /nfs/dbraw/zinc/17/41/59/941174159.db2.gz OIDILUYBXHLEGP-UHFFFAOYSA-N 1 0 401.514 4.142 20 30 HIEDRO CCN1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549468468 941192938 /nfs/dbraw/zinc/19/29/38/941192938.db2.gz LGRYPXOEFYMLAD-WVFSVQOHSA-N 1 0 414.912 4.103 20 30 HIEDRO Cc1nc(SCC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)c(C#N)c(C)c1C ZINC000549615525 941201432 /nfs/dbraw/zinc/20/14/32/941201432.db2.gz DURJEKBGNHSYFF-IBGZPJMESA-N 1 0 416.978 4.043 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000549644866 941202681 /nfs/dbraw/zinc/20/26/81/941202681.db2.gz YJYCBKJEWRZVIN-QFIPXVFZSA-N 1 0 418.589 4.485 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](c2ccc([C@H](C)CC)cc2)C(C)C)CC1 ZINC000550125686 941287164 /nfs/dbraw/zinc/28/71/64/941287164.db2.gz VBSUBCAHRPGLMA-AUSIDOKSSA-N 1 0 413.606 4.170 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)cc1 ZINC000550263879 941305784 /nfs/dbraw/zinc/30/57/84/941305784.db2.gz TZSQTFWSVWJBCP-QZTJIDSGSA-N 1 0 411.468 4.241 20 30 HIEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)sc2C1 ZINC000550358654 941317985 /nfs/dbraw/zinc/31/79/85/941317985.db2.gz DTYRHIXANPUAKO-BBWFWOEESA-N 1 0 416.635 4.124 20 30 HIEDRO COc1ccc([C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[NH+]2CCCC2)cc1 ZINC000551165399 941420496 /nfs/dbraw/zinc/42/04/96/941420496.db2.gz DSKMPWGKQOLQRT-XMMPIXPASA-N 1 0 418.541 4.078 20 30 HIEDRO C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccc(C#N)cc1F ZINC000551263486 941438627 /nfs/dbraw/zinc/43/86/27/941438627.db2.gz RMMKJOHSXXCUKW-KNQAVFIVSA-N 1 0 407.533 4.277 20 30 HIEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[NH+](C)C ZINC000552484420 941685184 /nfs/dbraw/zinc/68/51/84/941685184.db2.gz FKIKXRLGSPSWOC-UUOWRZLLSA-N 1 0 422.548 4.030 20 30 HIEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[NH+](C)C ZINC000552484417 941685312 /nfs/dbraw/zinc/68/53/12/941685312.db2.gz FKIKXRLGSPSWOC-HOYKHHGWSA-N 1 0 422.548 4.030 20 30 HIEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H](C(F)(F)F)C1 ZINC000552904500 941800782 /nfs/dbraw/zinc/80/07/82/941800782.db2.gz ZQYQICZRLOEXAA-HZPDHXFCSA-N 1 0 420.397 4.082 20 30 HIEDRO CC(C)[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000552947061 941806250 /nfs/dbraw/zinc/80/62/50/941806250.db2.gz HOYWFUYJABRRCI-TZIWHRDSSA-N 1 0 406.448 4.498 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c(C#N)c1C ZINC000553026182 941818958 /nfs/dbraw/zinc/81/89/58/941818958.db2.gz FGFJJTYHWQROPF-HNNXBMFYSA-N 1 0 423.492 4.189 20 30 HIEDRO N#Cc1cc(Br)ccc1CN(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000553867967 941987531 /nfs/dbraw/zinc/98/75/31/941987531.db2.gz CVZMMXLQXRNZNL-UHFFFAOYSA-N 1 0 424.342 4.378 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000554294566 942093929 /nfs/dbraw/zinc/09/39/29/942093929.db2.gz MCHOXVWDXGNMQL-IAGOWNOFSA-N 1 0 402.560 4.328 20 30 HIEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000554476061 942155207 /nfs/dbraw/zinc/15/52/07/942155207.db2.gz SFBDCQIUWREZGR-UHFFFAOYSA-N 1 0 403.567 4.048 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000554644991 942185588 /nfs/dbraw/zinc/18/55/88/942185588.db2.gz PFAVWIKNEYRJDU-GOSISDBHSA-N 1 0 415.557 4.300 20 30 HIEDRO CC(C)N1CC[C@@H]([NH2+][C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555005840 942352344 /nfs/dbraw/zinc/35/23/44/942352344.db2.gz IMZNSPCHJWMIFW-RDAFOJIHSA-N 1 0 422.976 4.035 20 30 HIEDRO CCC[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C(=O)N1CCc2sccc2C1 ZINC000555092722 942382950 /nfs/dbraw/zinc/38/29/50/942382950.db2.gz RJGLKOHIOKUYEI-SFHVURJKSA-N 1 0 421.488 4.482 20 30 HIEDRO C[C@H]1C[NH+](CCC2CCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000555093442 942383560 /nfs/dbraw/zinc/38/35/60/942383560.db2.gz BXFPBRFGSQJESZ-IRXDYDNUSA-N 1 0 409.496 4.288 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N[C@@H]1c2ccccc2CC12CCOCC2)C(C)C ZINC000555167372 942413830 /nfs/dbraw/zinc/41/38/30/942413830.db2.gz CUZVAPYEERIECO-DHIUTWEWSA-N 1 0 411.590 4.078 20 30 HIEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000555253906 942449057 /nfs/dbraw/zinc/44/90/57/942449057.db2.gz UYDUTYJLYYGIFA-UHFFFAOYSA-N 1 0 409.578 4.026 20 30 HIEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000555257850 942450989 /nfs/dbraw/zinc/45/09/89/942450989.db2.gz YZUYKKYNQLSAMI-UHFFFAOYSA-N 1 0 418.589 4.169 20 30 HIEDRO COc1cc(C[NH2+][C@H](C(C)C)C2(CO)CCC2)ccc1OCc1cccc(C#N)c1 ZINC000555729463 942715330 /nfs/dbraw/zinc/71/53/30/942715330.db2.gz WAQIJOYUXJGYJS-XMMPIXPASA-N 1 0 408.542 4.423 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000556104753 942805743 /nfs/dbraw/zinc/80/57/43/942805743.db2.gz KAILZSUGNCOZOT-SIKLNZKXSA-N 1 0 417.525 4.216 20 30 HIEDRO N#Cc1ccc2ncc(C[NH2+]C(Cc3ccccc3F)Cc3ccccc3F)n2c1 ZINC000556599171 942911376 /nfs/dbraw/zinc/91/13/76/942911376.db2.gz ZOVGLTDKMXJCIP-UHFFFAOYSA-N 1 0 402.448 4.428 20 30 HIEDRO CN1CC[C@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556884552 942950015 /nfs/dbraw/zinc/95/00/15/942950015.db2.gz CSYMINKJSTZSQN-XZOQPEGZSA-N 1 0 412.940 4.355 20 30 HIEDRO N#Cc1ncn(CC[NH2+][C@@H](c2ccc(Cl)cc2)c2ccc(C(F)(F)F)cc2)n1 ZINC000556925134 942968189 /nfs/dbraw/zinc/96/81/89/942968189.db2.gz ZZUZOUVSBZHEAG-GOSISDBHSA-N 1 0 405.811 4.201 20 30 HIEDRO C[C@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000557430292 943122016 /nfs/dbraw/zinc/12/20/16/943122016.db2.gz WVWVEDPVRHBPFX-ZWKOTPCHSA-N 1 0 416.997 4.197 20 30 HIEDRO CC(C)(C)[NH+]1CCC(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000557444244 943129668 /nfs/dbraw/zinc/12/96/68/943129668.db2.gz MQCWINFCMGTYLA-UHFFFAOYSA-N 1 0 416.997 4.197 20 30 HIEDRO C=CCC[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(C(F)(F)F)cc1 ZINC000558164785 943405947 /nfs/dbraw/zinc/40/59/47/943405947.db2.gz IQQPGXGAZMIILN-SFHVURJKSA-N 1 0 423.460 4.043 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cc1 ZINC000558332689 943511429 /nfs/dbraw/zinc/51/14/29/943511429.db2.gz UMDOIQZFCSTPHI-QFIPXVFZSA-N 1 0 424.520 4.064 20 30 HIEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 ZINC000558587885 943609943 /nfs/dbraw/zinc/60/99/43/943609943.db2.gz DBSYJVYPHAWQRW-UHFFFAOYSA-N 1 0 424.548 4.411 20 30 HIEDRO C[C@H]([NH2+]CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000558740919 943636454 /nfs/dbraw/zinc/63/64/54/943636454.db2.gz FFUOMWWLJKERLE-BXKMTCNYSA-N 1 0 401.535 4.445 20 30 HIEDRO Cc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(-c2ccnn2C)c1 ZINC000558782058 943661402 /nfs/dbraw/zinc/66/14/02/943661402.db2.gz GADHHRFVQJLERC-HXUWFJFHSA-N 1 0 403.505 4.165 20 30 HIEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)C1 ZINC000558900974 943735827 /nfs/dbraw/zinc/73/58/27/943735827.db2.gz OREKZQLJVKUEIG-QFIPXVFZSA-N 1 0 414.557 4.033 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000558988459 943789845 /nfs/dbraw/zinc/78/98/45/943789845.db2.gz JZKQTCLRUIHRFJ-OAQYLSRUSA-N 1 0 409.578 4.115 20 30 HIEDRO C=C(C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000559004802 943800587 /nfs/dbraw/zinc/80/05/87/943800587.db2.gz ADOLGUBBIOBFDX-UHFFFAOYSA-N 1 0 418.010 4.474 20 30 HIEDRO N#Cc1cc(F)ccc1C[NH2+]C1(Cc2ccc(F)cc2Br)CCOCC1 ZINC000559266483 943887968 /nfs/dbraw/zinc/88/79/68/943887968.db2.gz DRYBWOUEGXSWSP-UHFFFAOYSA-N 1 0 421.285 4.480 20 30 HIEDRO C[C@@H]([NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1)C(=O)Nc1cccc(C#N)c1 ZINC000559409967 943941190 /nfs/dbraw/zinc/94/11/90/943941190.db2.gz JMSRNEYKHGOAGY-OAHLLOKOSA-N 1 0 415.896 4.059 20 30 HIEDRO Cc1c(Cl)cccc1N1CCC[N@H+](CCC(=O)Nc2sccc2C#N)CC1 ZINC000560195259 944193777 /nfs/dbraw/zinc/19/37/77/944193777.db2.gz AMWIVXZLBMEXFV-UHFFFAOYSA-N 1 0 402.951 4.123 20 30 HIEDRO N#Cc1cccc(OCCCCC(=O)N2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000560763182 944324898 /nfs/dbraw/zinc/32/48/98/944324898.db2.gz XMJWBFAHGQNYBV-SANMLTNESA-N 1 0 417.553 4.232 20 30 HIEDRO N#CCc1cccc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000561075729 944430738 /nfs/dbraw/zinc/43/07/38/944430738.db2.gz UYQUUDWLVJUIOH-SANMLTNESA-N 1 0 424.548 4.455 20 30 HIEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(C#N)cc1)c1ccccc1OCc1ccccc1 ZINC000561126193 944468145 /nfs/dbraw/zinc/46/81/45/944468145.db2.gz QKNCKHOOTQTXRO-DENIHFKCSA-N 1 0 402.494 4.228 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000561384531 944572279 /nfs/dbraw/zinc/57/22/79/944572279.db2.gz TUNQKJOPQSSEJC-UHFFFAOYSA-N 1 0 403.448 4.254 20 30 HIEDRO C=CCOc1ccc(CNC(=O)N(C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000561875363 944832437 /nfs/dbraw/zinc/83/24/37/944832437.db2.gz CZSBKZYLWIBESM-UHFFFAOYSA-N 1 0 408.546 4.095 20 30 HIEDRO CN1C(=O)C[C@H]([NH2+]Cc2ccc(C#N)cc2C(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000562200116 945016931 /nfs/dbraw/zinc/01/69/31/945016931.db2.gz COZPTXPNAXJOFK-PKOBYXMFSA-N 1 0 407.823 4.292 20 30 HIEDRO N#CCc1cccc(Br)c1OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000564398030 945554999 /nfs/dbraw/zinc/55/49/99/945554999.db2.gz YMRDNZUXUUQFQH-LJQANCHMSA-N 1 0 415.331 4.185 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000565332140 945813407 /nfs/dbraw/zinc/81/34/07/945813407.db2.gz BLRBNGGBTPRLME-PGRDOPGGSA-N 1 0 410.583 4.335 20 30 HIEDRO C[C@H]([NH2+]CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1)c1ccc(C#N)cc1 ZINC000565367846 945817846 /nfs/dbraw/zinc/81/78/46/945817846.db2.gz IWAGCSDIHKQKNL-KXBFYZLASA-N 1 0 404.495 4.241 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccccc2)C(C)(C)CO)ccc1Cl ZINC000565742948 945877735 /nfs/dbraw/zinc/87/77/35/945877735.db2.gz IQTKGXHYELVJPA-JOCHJYFZSA-N 1 0 413.949 4.245 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(C4CCOCC4)CC3)sc2C1 ZINC000569185444 946835398 /nfs/dbraw/zinc/83/53/98/946835398.db2.gz LIEVJNWKRBCXHK-INIZCTEOSA-N 1 0 415.603 4.212 20 30 HIEDRO C=CCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000569970952 947057067 /nfs/dbraw/zinc/05/70/67/947057067.db2.gz ZGIWXMYQEIXNMQ-KRWDZBQOSA-N 1 0 401.530 4.054 20 30 HIEDRO C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000570228187 947151375 /nfs/dbraw/zinc/15/13/75/947151375.db2.gz KYOQNVPTSWBVDE-QFIPXVFZSA-N 1 0 409.578 4.087 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[NH2+]C2(c3cccc(C(F)(F)F)c3)CCOCC2)cc1 ZINC000570637708 947320423 /nfs/dbraw/zinc/32/04/23/947320423.db2.gz KQTCCPNSMUESQY-UHFFFAOYSA-N 1 0 417.431 4.201 20 30 HIEDRO N#Cc1ccc(N2CC[C@@H](c3nc(-c4cccc(C[NH+]5CCCC5)c4)no3)C2)c(F)c1 ZINC000571034208 947449650 /nfs/dbraw/zinc/44/96/50/947449650.db2.gz QGHMGGORPDWLMZ-HXUWFJFHSA-N 1 0 417.488 4.337 20 30 HIEDRO C[C@@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000571664892 947739515 /nfs/dbraw/zinc/73/95/15/947739515.db2.gz PZELIKNSDIZACB-VFNWGFHPSA-N 1 0 409.917 4.222 20 30 HIEDRO C[C@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000571664893 947739725 /nfs/dbraw/zinc/73/97/25/947739725.db2.gz PZELIKNSDIZACB-YCRPNKLZSA-N 1 0 409.917 4.222 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)c(C(F)(F)F)c1 ZINC000571696507 947751607 /nfs/dbraw/zinc/75/16/07/947751607.db2.gz BBVMBHITUIOHBE-LJQANCHMSA-N 1 0 405.464 4.192 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+](Cc2cccnc2)C2CC2)c1C#N ZINC000573989587 948341968 /nfs/dbraw/zinc/34/19/68/948341968.db2.gz WODHTDSLMVBMIY-UHFFFAOYSA-N 1 0 417.513 4.006 20 30 HIEDRO CC(C)Oc1ccc([C@@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[NH+](C)C)cc1 ZINC000575475193 948671021 /nfs/dbraw/zinc/67/10/21/948671021.db2.gz VNXMKCRLEXWZIL-JOCHJYFZSA-N 1 0 411.521 4.181 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)Cc1ccccc1OCc1cccnc1 ZINC000575837758 948733475 /nfs/dbraw/zinc/73/34/75/948733475.db2.gz MXBYPZPDJHPGTM-UHFFFAOYSA-N 1 0 400.526 4.096 20 30 HIEDRO CC(C)(CO)[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccs1 ZINC000575977862 948806070 /nfs/dbraw/zinc/80/60/70/948806070.db2.gz XBVUDUPGFSYCQT-LJQANCHMSA-N 1 0 417.600 4.238 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(-c2ccccc2)n1 ZINC000576023085 948812181 /nfs/dbraw/zinc/81/21/81/948812181.db2.gz BPCLUTDKVRBBAW-UHFFFAOYSA-N 1 0 414.469 4.186 20 30 HIEDRO N#Cc1cnc2cnc(Cl)cc2c1N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164627914 719062185 /nfs/dbraw/zinc/06/21/85/719062185.db2.gz RLKGZHATKIQSCT-UWJYYQICSA-N 1 0 403.917 4.256 20 30 HIEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164626620 719071364 /nfs/dbraw/zinc/07/13/64/719071364.db2.gz OVIVXCRGUNDGSM-APWZRJJASA-N 1 0 402.876 4.252 20 30 HIEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164628836 719090311 /nfs/dbraw/zinc/09/03/11/719090311.db2.gz OXGQIWUYJCALLE-VQIMIIECSA-N 1 0 402.876 4.252 20 30 HIEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1c(C#N)c(Cl)nc3cccc(C)c31)C2 ZINC001164811702 720207052 /nfs/dbraw/zinc/20/70/52/720207052.db2.gz JSSHASXSVFVSHS-UUOWRZLLSA-N 1 0 424.976 4.253 20 30 HIEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164722410 720482145 /nfs/dbraw/zinc/48/21/45/720482145.db2.gz AFQXPHILTMTKGB-VQTJNVASSA-N 1 0 407.880 4.147 20 30 HIEDRO N#Cc1c(Cl)c2ccccc2nc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909898 721552182 /nfs/dbraw/zinc/55/21/82/721552182.db2.gz VDLGEOZVZMWZSK-SJLPKXTDSA-N 1 0 422.891 4.241 20 30 HIEDRO N#Cc1cc(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc2ccc(Cl)cc12 ZINC001164904743 721563640 /nfs/dbraw/zinc/56/36/40/721563640.db2.gz FLIPNTITNFIPSL-QUCCMNQESA-N 1 0 422.891 4.241 20 30 HIEDRO N#Cc1cc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)nc2ccccc12 ZINC001164907779 721724046 /nfs/dbraw/zinc/72/40/46/721724046.db2.gz UBZCCYIEUPZOEK-HSZRJFAPSA-N 1 0 419.479 4.239 20 30 HIEDRO CCN(CCC#N)c1c2c(cnc1Cl)C1(CC[NH+](Cc3ccccc3)CC1)OC2 ZINC001165049272 721987321 /nfs/dbraw/zinc/98/73/21/721987321.db2.gz UVKCDIJUASGALM-UHFFFAOYSA-N 1 0 410.949 4.496 20 30 HIEDRO N#Cc1ccc(-c2ccncc2)nc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164994069 722207287 /nfs/dbraw/zinc/20/72/87/722207287.db2.gz FHKFHKWYTLJJKU-RUZDIDTESA-N 1 0 413.500 4.399 20 30 HIEDRO CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000436155799 861455994 /nfs/dbraw/zinc/45/59/94/861455994.db2.gz STJSNKUWBVTSJY-GGAORHGYSA-N 1 0 417.557 4.132 20 30 HIEDRO Cc1cc(C)cc(NC(=S)C(C(=O)c2ccc3c(c2)OCCO3)[n+]2ccccc2)c1 ZINC000006367164 845194709 /nfs/dbraw/zinc/19/47/09/845194709.db2.gz KJYUQMCOPUWUTQ-UHFFFAOYSA-O 1 0 419.526 4.413 20 30 HIEDRO Cc1ccc(NC(=S)C(C(=O)c2ccc3c(c2)CCC3)[n+]2cccc(CO)c2)cc1 ZINC000010173298 845627371 /nfs/dbraw/zinc/62/73/71/845627371.db2.gz ZYYMVCVGLTWOTD-UHFFFAOYSA-O 1 0 417.554 4.314 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1cc(F)ccc1F ZINC000436290384 861596670 /nfs/dbraw/zinc/59/66/70/861596670.db2.gz IIJFYXREVMEZRX-HVETUWLQSA-N 1 0 421.509 4.029 20 30 HIEDRO CCc1ccccc1NC(=S)C(C(=O)c1ccc2c(c1)OCCO2)[n+]1ccccc1 ZINC000014871940 845988232 /nfs/dbraw/zinc/98/82/32/845988232.db2.gz KEPZQCBVNMADHA-UHFFFAOYSA-O 1 0 419.526 4.359 20 30 HIEDRO C[N@H+](CCOc1ccccc1F)CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000015046099 846003884 /nfs/dbraw/zinc/00/38/84/846003884.db2.gz ONWJLYRNTIYSEP-UHFFFAOYSA-N 1 0 415.534 4.367 20 30 HIEDRO CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)cc2)CC1 ZINC000436342666 861654571 /nfs/dbraw/zinc/65/45/71/861654571.db2.gz VCXJMVUYVUOBPE-DQEYMECFSA-N 1 0 416.569 4.129 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1ccc2c(c1)OCO2 ZINC000019541955 846367966 /nfs/dbraw/zinc/36/79/66/846367966.db2.gz JPPCKLLCPNBWRF-UHFFFAOYSA-N 1 0 411.527 4.078 20 30 HIEDRO Cc1ccc(C(=O)C(C(=S)Nc2ccc(F)cc2F)[n+]2cccc(CO)c2)s1 ZINC000022727284 846610457 /nfs/dbraw/zinc/61/04/57/846610457.db2.gz RTKFGRVMIUOSRG-UHFFFAOYSA-O 1 0 419.498 4.165 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1ccc(OC)cc1)C(=S)NCCc1ccccc1 ZINC000022791445 846620634 /nfs/dbraw/zinc/62/06/34/846620634.db2.gz CQQOWOHJLWIWBY-UHFFFAOYSA-O 1 0 419.570 4.316 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1cccc(Br)c1)[n+]1cccc(C)c1 ZINC000022795950 846621826 /nfs/dbraw/zinc/62/18/26/846621826.db2.gz FJGWOJMYCJDGJD-UHFFFAOYSA-O 1 0 404.353 4.150 20 30 HIEDRO COc1ccc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1Br ZINC000022850561 846628648 /nfs/dbraw/zinc/62/86/48/846628648.db2.gz VTIKQDWHFGOOIZ-UHFFFAOYSA-N 1 0 414.347 4.037 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccc(C)cc2)[n+]2ccc(N(C)C)cc2)c(C)[nH]1 ZINC000023604140 846727184 /nfs/dbraw/zinc/72/71/84/846727184.db2.gz QZYGOYLJJHPDGE-UHFFFAOYSA-O 1 0 407.563 4.344 20 30 HIEDRO C=CCc1cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc(OC)c1OC ZINC000024650920 846848553 /nfs/dbraw/zinc/84/85/53/846848553.db2.gz CYUMQQJLHYFCOD-UHFFFAOYSA-N 1 0 408.542 4.348 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000025507725 846989295 /nfs/dbraw/zinc/98/92/95/846989295.db2.gz RHXWBPLGWLSYJR-FQEVSTJZSA-N 1 0 405.542 4.285 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000028349993 847410484 /nfs/dbraw/zinc/41/04/84/847410484.db2.gz GSMLEIJXUZKZJQ-UONOGXRCSA-N 1 0 410.905 4.238 20 30 HIEDRO N#Cc1ccccc1Sc1ccccc1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000030317579 847702491 /nfs/dbraw/zinc/70/24/91/847702491.db2.gz GGOZHBQPSGBRBU-UHFFFAOYSA-N 1 0 413.546 4.498 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)c1C#N ZINC000032762235 848072741 /nfs/dbraw/zinc/07/27/41/848072741.db2.gz HHJWOQVTLWXKBD-GOSISDBHSA-N 1 0 412.584 4.181 20 30 HIEDRO COc1cc(-c2noc(CCCCC[NH2+][C@@H](C)c3cccc(C#N)c3)n2)ccc1O ZINC000436723032 861908955 /nfs/dbraw/zinc/90/89/55/861908955.db2.gz PANRUTVHQBCDFS-INIZCTEOSA-N 1 0 406.486 4.386 20 30 HIEDRO C=CCOc1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2C(F)(F)F)cc1 ZINC000044796916 848605128 /nfs/dbraw/zinc/60/51/28/848605128.db2.gz IRADFVRIPSRYQW-UHFFFAOYSA-N 1 0 419.447 4.274 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCc1nc2ccccc2s1 ZINC000047010934 848972720 /nfs/dbraw/zinc/97/27/20/848972720.db2.gz DBJCTBUJCMYBKU-UHFFFAOYSA-N 1 0 406.555 4.081 20 30 HIEDRO O=C(Nc1cccc(C#Cc2cccs2)c1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000047400886 849040574 /nfs/dbraw/zinc/04/05/74/849040574.db2.gz OSBUEVKIEKNSCS-UHFFFAOYSA-N 1 0 416.550 4.329 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000048161886 849183799 /nfs/dbraw/zinc/18/37/99/849183799.db2.gz UCZYPQWWEYPFHB-LJQANCHMSA-N 1 0 406.530 4.328 20 30 HIEDRO CCCc1cc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)NC(C)(C)C)cc1 ZINC000055015264 849956971 /nfs/dbraw/zinc/95/69/71/849956971.db2.gz FWTDEOPAHLQWBW-UHFFFAOYSA-O 1 0 400.524 4.162 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3ccc(-c4ccccc4)[nH]3)CC2)cc1 ZINC000055512851 850043477 /nfs/dbraw/zinc/04/34/77/850043477.db2.gz DYPBPKWROBKZNT-UHFFFAOYSA-N 1 0 412.537 4.220 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[NH+](CCC(C)(C)C)CC3)sc2C1 ZINC000055933888 850210669 /nfs/dbraw/zinc/21/06/69/850210669.db2.gz PFNCAOXIBNHLHQ-KRWDZBQOSA-N 1 0 416.635 4.127 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CC[NH+](CCC(C)(C)C)CC2)c1C#N ZINC000055933978 850210696 /nfs/dbraw/zinc/21/06/96/850210696.db2.gz JBWDFSVHBCKWCC-UHFFFAOYSA-N 1 0 413.610 4.084 20 30 HIEDRO COc1cc(C)c([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000056153928 850258854 /nfs/dbraw/zinc/25/88/54/850258854.db2.gz IGTCAOBOQAHZPH-KGLIPLIRSA-N 1 0 401.894 4.215 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000056983036 850529634 /nfs/dbraw/zinc/52/96/34/850529634.db2.gz GFLLYMMCOSBAJQ-UHFFFAOYSA-N 1 0 403.526 4.085 20 30 HIEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000058427965 850822033 /nfs/dbraw/zinc/82/20/33/850822033.db2.gz DSODFWVSHKDDEI-UHFFFAOYSA-N 1 0 419.529 4.149 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)c1C#N ZINC000058531672 850847346 /nfs/dbraw/zinc/84/73/46/850847346.db2.gz UYIUXHHHROLCIP-UHFFFAOYSA-N 1 0 424.545 4.086 20 30 HIEDRO N#Cc1ccc(CSCC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)cc1 ZINC000060239067 851054923 /nfs/dbraw/zinc/05/49/23/851054923.db2.gz FEYYCUXCEIWAFP-UHFFFAOYSA-N 1 0 407.583 4.484 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCOc1cccc2ccccc21 ZINC000060576001 851153633 /nfs/dbraw/zinc/15/36/33/851153633.db2.gz CDKNNBGAQWUKNG-UHFFFAOYSA-N 1 0 415.537 4.461 20 30 HIEDRO CC1CC[NH+](CCCCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1 ZINC000060703758 851194563 /nfs/dbraw/zinc/19/45/63/851194563.db2.gz QIHORFHYOQMJFG-UHFFFAOYSA-N 1 0 405.542 4.379 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000063320450 851659806 /nfs/dbraw/zinc/65/98/06/851659806.db2.gz VPQOWGPMLZUHGO-UHFFFAOYSA-N 1 0 417.557 4.229 20 30 HIEDRO Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)CCC(=O)Nc1ccc(C#N)cc1 ZINC000063559716 851714155 /nfs/dbraw/zinc/71/41/55/851714155.db2.gz LYOIYRJKQAENJF-UHFFFAOYSA-N 1 0 401.514 4.130 20 30 HIEDRO C[C@@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ncc(Br)cc1F ZINC000437102432 862290689 /nfs/dbraw/zinc/29/06/89/862290689.db2.gz YBAAFGLNVJKGJN-UWTIGNOOSA-N 1 0 419.298 4.291 20 30 HIEDRO Cc1cccc(-c2nnc(-c3ccc(C(=O)N(CCC#N)CCC[NH+](C)C)cc3)o2)c1 ZINC000064381083 851882558 /nfs/dbraw/zinc/88/25/58/851882558.db2.gz WLSCARTVTZQXQV-UHFFFAOYSA-N 1 0 417.513 4.020 20 30 HIEDRO COc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000064741914 851974642 /nfs/dbraw/zinc/97/46/42/851974642.db2.gz DUQOYJWIBXDCHB-UHFFFAOYSA-N 1 0 420.435 4.181 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)CNc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000065217524 852088261 /nfs/dbraw/zinc/08/82/61/852088261.db2.gz GCZWSLZYBBMOCS-FQEVSTJZSA-N 1 0 418.463 4.188 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000065931269 852321739 /nfs/dbraw/zinc/32/17/39/852321739.db2.gz GUXMLFWOZZLSHO-UHFFFAOYSA-N 1 0 400.526 4.122 20 30 HIEDRO C=CCOc1ccc(C(=O)N(CC[NH+](C)C)Cc2cccc(Cl)c2)cc1OC ZINC000065936431 852324647 /nfs/dbraw/zinc/32/46/47/852324647.db2.gz ISGMKIKSHUPMGJ-UHFFFAOYSA-N 1 0 402.922 4.117 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1Cl ZINC000071818036 852411651 /nfs/dbraw/zinc/41/16/51/852411651.db2.gz YRJGYSOAACJTIO-IBGZPJMESA-N 1 0 411.889 4.149 20 30 HIEDRO Cc1cc(C[N@@H+](C)[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc(C)c1OCC(F)(F)F ZINC000071966275 852449174 /nfs/dbraw/zinc/44/91/74/852449174.db2.gz UILOXIXWIFWOES-UZLBHIALSA-N 1 0 413.484 4.119 20 30 HIEDRO CC(C)c1ccccc1NC(=O)[C@@H](C)ON=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000097571227 852632443 /nfs/dbraw/zinc/63/24/43/852632443.db2.gz JPTPPCRBTZQRRZ-LJQANCHMSA-N 1 0 422.573 4.460 20 30 HIEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000110198530 853071182 /nfs/dbraw/zinc/07/11/82/853071182.db2.gz UCUPKTZQEQITED-RUZDIDTESA-N 1 0 419.569 4.129 20 30 HIEDRO CCc1c(C(=O)C(C(=S)NC(C)(C)C)[n+]2cccc(C)c2)[nH]c(C)c1C(C)=O ZINC000120916288 853369896 /nfs/dbraw/zinc/36/98/96/853369896.db2.gz ZVMSVIDAZAYKMB-UHFFFAOYSA-O 1 0 400.568 4.011 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC000149883314 853633452 /nfs/dbraw/zinc/63/34/52/853633452.db2.gz PXGWQDPXNXFGJU-FQEVSTJZSA-N 1 0 407.562 4.075 20 30 HIEDRO Cc1noc(C)c1C(=O)C(C(=S)N[C@@H](C)c1cccs1)[n+]1cccc(C)c1 ZINC000186966151 853668979 /nfs/dbraw/zinc/66/89/79/853668979.db2.gz HZUCORGNRKYDPN-ZDUSSCGKSA-O 1 0 400.549 4.238 20 30 HIEDRO CCC(C)(C)NC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1cccc(C)c1 ZINC000186981779 853669273 /nfs/dbraw/zinc/66/92/73/853669273.db2.gz IEAQSXXLJLTDMN-UHFFFAOYSA-O 1 0 400.524 4.216 20 30 HIEDRO CC(C)NC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000193074233 853669285 /nfs/dbraw/zinc/66/92/85/853669285.db2.gz IYJUXDAUSCSTFM-UHFFFAOYSA-O 1 0 400.524 4.117 20 30 HIEDRO N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)s2)cc1 ZINC000195651834 853738453 /nfs/dbraw/zinc/73/84/53/853738453.db2.gz GXEJDQUKHHLSHF-UHFFFAOYSA-N 1 0 402.523 4.454 20 30 HIEDRO CC(=O)Nc1cccc(OCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000236628959 853904618 /nfs/dbraw/zinc/90/46/18/853904618.db2.gz SVLZIBCDDLEUQJ-UHFFFAOYSA-N 1 0 415.493 4.264 20 30 HIEDRO CCN(CC)[C@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(C(F)(F)F)cc1 ZINC000236897999 853934084 /nfs/dbraw/zinc/93/40/84/853934084.db2.gz BCGFXWAXKJKEQM-HXUWFJFHSA-N 1 0 415.463 4.397 20 30 HIEDRO CC[C@H](C#N)Oc1cc(C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)ccc1OC ZINC000236895739 853934239 /nfs/dbraw/zinc/93/42/39/853934239.db2.gz QTFYBWZUYQVLGO-OAQYLSRUSA-N 1 0 404.514 4.469 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]Cc2cccc(CN3CCO[C@H](C)C3)c2)ccc1OC ZINC000237257265 853991631 /nfs/dbraw/zinc/99/16/31/853991631.db2.gz UVGBETBUDNPAHY-HXUWFJFHSA-N 1 0 410.558 4.161 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]C2CCN(c3ccc(N(C)C)cc3)CC2)ccc1OC ZINC000237358385 854013418 /nfs/dbraw/zinc/01/34/18/854013418.db2.gz FSRMAXYVICTYSE-UHFFFAOYSA-N 1 0 409.574 4.475 20 30 HIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000237502643 854046557 /nfs/dbraw/zinc/04/65/57/854046557.db2.gz AXVCLARTLZPSDM-FUHWJXTLSA-N 1 0 401.457 4.337 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(OCc4ccncc4)cc3)C2)c(F)c1 ZINC000237714974 854081746 /nfs/dbraw/zinc/08/17/46/854081746.db2.gz YHWMUWZWDRVQQJ-QFIPXVFZSA-N 1 0 416.500 4.430 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccnc(OC3CCCC3)c2)c(-c2ccccc2)n1 ZINC000237832619 854105420 /nfs/dbraw/zinc/10/54/20/854105420.db2.gz XIQGHNJSGUCDKG-UHFFFAOYSA-N 1 0 401.514 4.470 20 30 HIEDRO N#CCCn1cc(C[NH2+]C[C@H](c2ccco2)N2CCCCC2)c(-c2ccccc2)n1 ZINC000237830593 854105470 /nfs/dbraw/zinc/10/54/70/854105470.db2.gz JDEGUWCZSAXDRL-JOCHJYFZSA-N 1 0 403.530 4.374 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2cccnc2OCC(F)(F)F)c(-c2ccccc2)n1 ZINC000237907734 854117735 /nfs/dbraw/zinc/11/77/35/854117735.db2.gz VFVBAMWDWOKVDY-UHFFFAOYSA-N 1 0 415.419 4.090 20 30 HIEDRO CCCc1cc[n+](C(C(=O)c2ccc(C)s2)C(=S)NCc2ccon2)cc1 ZINC000268712292 854280729 /nfs/dbraw/zinc/28/07/29/854280729.db2.gz DUPRDCZZOYKDEI-UHFFFAOYSA-O 1 0 400.549 4.013 20 30 HIEDRO Cc1cc(C)c2ncc(C#N)c(N3CCC([NH2+]CCOc4ccccc4)CC3)c2c1 ZINC000301541205 854416253 /nfs/dbraw/zinc/41/62/53/854416253.db2.gz NJNCLBCYGFRHFU-UHFFFAOYSA-N 1 0 400.526 4.361 20 30 HIEDRO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000301659581 854438963 /nfs/dbraw/zinc/43/89/63/854438963.db2.gz CBWXRTUCFMRPAL-MOPGFXCFSA-N 1 0 400.448 4.463 20 30 HIEDRO N#Cc1c(Cl)nsc1Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000301940086 854499160 /nfs/dbraw/zinc/49/91/60/854499160.db2.gz YXLSZNKKFAKJHK-UHFFFAOYSA-N 1 0 410.934 4.129 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000303157277 854791418 /nfs/dbraw/zinc/79/14/18/854791418.db2.gz HACOBBVVHABOOX-UHFFFAOYSA-N 1 0 406.530 4.440 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCCCCCc3ccccc3)CC2)cc1 ZINC000303228401 854826469 /nfs/dbraw/zinc/82/64/69/854826469.db2.gz WZSZDYLLOZIHFY-UHFFFAOYSA-N 1 0 404.558 4.189 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3ccco3)n(-c3ccc(Cl)cc3)n2)CC1 ZINC000303257779 854838664 /nfs/dbraw/zinc/83/86/64/854838664.db2.gz HFKHACJUIVFHCF-UHFFFAOYSA-N 1 0 410.905 4.166 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000303305775 854862053 /nfs/dbraw/zinc/86/20/53/854862053.db2.gz JGLILKTWHNNXIJ-SFHVURJKSA-N 1 0 407.942 4.060 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(COc3ccc(Br)cc3)o2)CC1 ZINC000303330225 854875403 /nfs/dbraw/zinc/87/54/03/854875403.db2.gz WQKSKXOMKAAJJJ-UHFFFAOYSA-N 1 0 419.319 4.001 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000303378680 854900077 /nfs/dbraw/zinc/90/00/77/854900077.db2.gz LZGJUIJWLWSQSC-LJQANCHMSA-N 1 0 414.619 4.075 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)CC1 ZINC000303387811 854904926 /nfs/dbraw/zinc/90/49/26/854904926.db2.gz YPMQMXBLWIZFBM-LJQANCHMSA-N 1 0 420.557 4.340 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccc(F)cc1 ZINC000303568503 855045389 /nfs/dbraw/zinc/04/53/89/855045389.db2.gz BDJUQYJQTZXMTJ-XMMPIXPASA-N 1 0 417.484 4.309 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(COc3ccccc3)CC1)CCC2 ZINC000303576618 855051443 /nfs/dbraw/zinc/05/14/43/855051443.db2.gz ZJZQFVRRLVEQIB-UHFFFAOYSA-N 1 0 409.555 4.228 20 30 HIEDRO CCCC[N@H+](C)CC1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000303616031 855079307 /nfs/dbraw/zinc/07/93/07/855079307.db2.gz ZTOOKNXXBNBLCY-UHFFFAOYSA-N 1 0 416.635 4.271 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@H+]2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1Cl ZINC000303693787 855137325 /nfs/dbraw/zinc/13/73/25/855137325.db2.gz QGGWGVXUVZDJSH-UHFFFAOYSA-N 1 0 413.749 4.357 20 30 HIEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)c(OC)c1 ZINC000303740035 855164849 /nfs/dbraw/zinc/16/48/49/855164849.db2.gz YUECUFZMDKJVCH-MEKIYTOJSA-N 1 0 413.583 4.342 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCC[C@@H]3Cc3ccccc3)CC2)cc1 ZINC000303863065 855257936 /nfs/dbraw/zinc/25/79/36/855257936.db2.gz WUFQODYRZYZNDP-JWQCQUIFSA-N 1 0 416.569 4.187 20 30 HIEDRO [NH2+]=C(NCCCC(=O)Nc1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303885097 855269388 /nfs/dbraw/zinc/26/93/88/855269388.db2.gz MYKREZXTXDESPV-UHFFFAOYSA-N 1 0 414.815 4.384 20 30 HIEDRO COc1ccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1OC(F)F ZINC000303887607 855270861 /nfs/dbraw/zinc/27/08/61/855270861.db2.gz KZEDBAQQRPKMDD-UHFFFAOYSA-N 1 0 405.323 4.122 20 30 HIEDRO CCOc1ccccc1Oc1ccc(CNC(=[NH2+])Nc2ccc(OC)c(OC)c2)cn1 ZINC000303892015 855272875 /nfs/dbraw/zinc/27/28/75/855272875.db2.gz NIPIFAGZPNKTIJ-UHFFFAOYSA-N 1 0 422.485 4.217 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000303936957 855303786 /nfs/dbraw/zinc/30/37/86/855303786.db2.gz YADVBQFGZZOQDE-UXHICEINSA-N 1 0 422.598 4.083 20 30 HIEDRO CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccccc2-c2ccc(Cl)cc2)CC1 ZINC000303968801 855328435 /nfs/dbraw/zinc/32/84/35/855328435.db2.gz AZVNDUICBJTNSA-UHFFFAOYSA-N 1 0 414.937 4.032 20 30 HIEDRO CCc1ccc(NC(=[NH2+])NCCC(=O)Nc2ccc(Br)cc2C)cc1 ZINC000303978924 855334013 /nfs/dbraw/zinc/33/40/13/855334013.db2.gz MPZZCQHOAMDRNF-UHFFFAOYSA-N 1 0 403.324 4.075 20 30 HIEDRO CC[C@@H](C)c1ccc(NC(=[NH2+])NC[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)cc1 ZINC000304994781 855358736 /nfs/dbraw/zinc/35/87/36/855358736.db2.gz FIVMBKOFQMFPFS-QZTJIDSGSA-N 1 0 410.562 4.470 20 30 HIEDRO CCc1cccc(CC)c1NC(=[NH2+])NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 ZINC000305046353 855358901 /nfs/dbraw/zinc/35/89/01/855358901.db2.gz YCGWIDDXAIHYEE-KRWDZBQOSA-N 1 0 410.562 4.082 20 30 HIEDRO [NH2+]=C(NCCOc1ncc(Cl)cc1Cl)Nc1ccc(OC(F)(F)F)cc1 ZINC000305090078 855359568 /nfs/dbraw/zinc/35/95/68/855359568.db2.gz WIDSINFGDCGOSH-UHFFFAOYSA-N 1 0 409.195 4.093 20 30 HIEDRO COc1ccc(CCNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1OC(F)F ZINC000305217826 855359809 /nfs/dbraw/zinc/35/98/09/855359809.db2.gz IQUUBJHEJDHIES-UHFFFAOYSA-N 1 0 419.350 4.165 20 30 HIEDRO [NH2+]=C(NCc1cccc(NC(=O)C2CCC2)c1)Nc1ccccc1OC(F)(F)F ZINC000305212130 855360194 /nfs/dbraw/zinc/36/01/94/855360194.db2.gz HIBINKCZODVTGY-UHFFFAOYSA-N 1 0 406.408 4.251 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000409503449 855512277 /nfs/dbraw/zinc/51/22/77/855512277.db2.gz SQVCRDBKNWPHPF-OAHLLOKOSA-N 1 0 412.347 4.160 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000409570792 855545143 /nfs/dbraw/zinc/54/51/43/855545143.db2.gz ODGIUEUMVOXGAI-AWEZNQCLSA-N 1 0 400.336 4.016 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000409650873 855583321 /nfs/dbraw/zinc/58/33/21/855583321.db2.gz ITDRFTFDKGGWBK-LJQANCHMSA-N 1 0 412.578 4.133 20 30 HIEDRO C[C@H]([NH2+]C1(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CCCC1)c1ccccc1 ZINC000409679597 855598449 /nfs/dbraw/zinc/59/84/49/855598449.db2.gz HTCSRVDSGPRHGN-IBGZPJMESA-N 1 0 413.525 4.137 20 30 HIEDRO CCN(C(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000409814863 855668178 /nfs/dbraw/zinc/66/81/78/855668178.db2.gz YXRYASIZHQNAGL-AUSIDOKSSA-N 1 0 413.525 4.042 20 30 HIEDRO N#CC1(CCC[NH+]2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)CCOCC1 ZINC000410349968 855942420 /nfs/dbraw/zinc/94/24/20/855942420.db2.gz RTHRRMMDDASLMN-HXUWFJFHSA-N 1 0 401.938 4.188 20 30 HIEDRO C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000410368283 855955041 /nfs/dbraw/zinc/95/50/41/855955041.db2.gz ADKQECAZOFVIFQ-HNNXBMFYSA-N 1 0 420.340 4.223 20 30 HIEDRO N#CC1(CCC[N@H+]2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn43)C2)CCOCC1 ZINC000410418045 855986863 /nfs/dbraw/zinc/98/68/63/855986863.db2.gz MNRVXHVMJGGLIE-INIZCTEOSA-N 1 0 421.467 4.028 20 30 HIEDRO CCN(CC(=O)Nc1sc(C)c(C)c1C#N)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000426420961 856282613 /nfs/dbraw/zinc/28/26/13/856282613.db2.gz PJCUXZZAIWMCSQ-YLJYHZDGSA-N 1 0 410.587 4.333 20 30 HIEDRO Cc1ccc(NC(=O)[C@H]2CCC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000427005491 856591034 /nfs/dbraw/zinc/59/10/34/856591034.db2.gz SWUSUNKYSAULPY-SFHVURJKSA-N 1 0 401.432 4.111 20 30 HIEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)C[C@@H]3CCCOC3)sc2C1 ZINC000427009087 856593208 /nfs/dbraw/zinc/59/32/08/856593208.db2.gz PEWFOCUQQCZXEY-IRXDYDNUSA-N 1 0 417.619 4.458 20 30 HIEDRO N#Cc1ccc(Nc2cccc(C(=O)N3CC[C@H](OCC[NH+]4CCCCC4)C3)c2)cc1 ZINC000427151758 856671856 /nfs/dbraw/zinc/67/18/56/856671856.db2.gz XKCSBYKBGSNADK-DEOSSOPVSA-N 1 0 418.541 4.019 20 30 HIEDRO N#Cc1ccc(Nc2cccc(C(=O)N3CC[C@@H](OCC[NH+]4CCCCC4)C3)c2)cc1 ZINC000427151759 856672391 /nfs/dbraw/zinc/67/23/91/856672391.db2.gz XKCSBYKBGSNADK-XMMPIXPASA-N 1 0 418.541 4.019 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2OCCc3sccc32)c1 ZINC000427860009 856984850 /nfs/dbraw/zinc/98/48/50/856984850.db2.gz YTNFUZRFFQMXAY-SPEDKVCISA-N 1 0 411.571 4.292 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@H+](CCc2ccccc2)[C@@H]2CCOC2)sc2c1CCCC2 ZINC000437513386 862861417 /nfs/dbraw/zinc/86/14/17/862861417.db2.gz HHAXOVGQJZBJAL-LJQANCHMSA-N 1 0 423.582 4.161 20 30 HIEDRO CC1(C)CCCc2cc(C#N)c(NCc3ccc(C[NH+]4CCC(O)CC4)cc3)nc21 ZINC000428109269 857074464 /nfs/dbraw/zinc/07/44/64/857074464.db2.gz ACENODKFZOBYHG-UHFFFAOYSA-N 1 0 404.558 4.136 20 30 HIEDRO C=C(C)COc1cc(CNC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000428546605 857256864 /nfs/dbraw/zinc/25/68/64/857256864.db2.gz KYRLEMGUNLGKIE-QHCPKHFHSA-N 1 0 410.558 4.031 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+][C@H](C)c2cccc(O)c2)c1C#N ZINC000429306972 857597855 /nfs/dbraw/zinc/59/78/55/857597855.db2.gz IPTGILRTWBHXLW-MRXNPFEDSA-N 1 0 406.486 4.003 20 30 HIEDRO Cc1oc(NC(=O)C[NH2+][C@@H]2c3cccc(Br)c3CC2(C)C)c(C#N)c1C ZINC000429355350 857618237 /nfs/dbraw/zinc/61/82/37/857618237.db2.gz RDJPAIKTBYKNNK-GOSISDBHSA-N 1 0 416.319 4.382 20 30 HIEDRO CN(Cc1ccc(C#N)cc1)C(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000429494222 857695959 /nfs/dbraw/zinc/69/59/59/857695959.db2.gz REOPDIKCFNGZNB-HSZRJFAPSA-N 1 0 404.558 4.173 20 30 HIEDRO CN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000429502824 857701521 /nfs/dbraw/zinc/70/15/21/857701521.db2.gz KKHKFABAUUOBLM-QHCPKHFHSA-N 1 0 404.558 4.173 20 30 HIEDRO CC(C)(CO)[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000429714919 857847559 /nfs/dbraw/zinc/84/75/59/857847559.db2.gz YKZGVVZNYIBQQK-OAQYLSRUSA-N 1 0 411.571 4.177 20 30 HIEDRO C=CCC(C)(C)C(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000429835014 857903051 /nfs/dbraw/zinc/90/30/51/857903051.db2.gz YOOBOHZVOZWDCP-UHFFFAOYSA-N 1 0 411.512 4.326 20 30 HIEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)nc1 ZINC000430154882 858055803 /nfs/dbraw/zinc/05/58/03/858055803.db2.gz JFFKUEYPHZCEPX-KRWDZBQOSA-N 1 0 424.844 4.428 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2ccc(Br)c(F)c2)CC1 ZINC000430562426 858219335 /nfs/dbraw/zinc/21/93/35/858219335.db2.gz DMOQNYNPWLJILK-GOSISDBHSA-N 1 0 410.331 4.085 20 30 HIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430671305 858261893 /nfs/dbraw/zinc/26/18/93/858261893.db2.gz WJNNOFOMGUZJFR-UCFCWBNQSA-N 1 0 405.542 4.131 20 30 HIEDRO N#CCSc1cccc(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000430713055 858276331 /nfs/dbraw/zinc/27/63/31/858276331.db2.gz FWASOKRBSACZST-UHFFFAOYSA-N 1 0 423.582 4.103 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431700317 858749335 /nfs/dbraw/zinc/74/93/35/858749335.db2.gz VBNPCNWFSNHNMZ-KNQAVFIVSA-N 1 0 422.529 4.346 20 30 HIEDRO CC1(C)C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c2ccccc21 ZINC000432150407 859016610 /nfs/dbraw/zinc/01/66/10/859016610.db2.gz MHEJUTAJLGRLHL-QHCPKHFHSA-N 1 0 402.542 4.198 20 30 HIEDRO Cc1c(C#N)cccc1NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000432271204 859078154 /nfs/dbraw/zinc/07/81/54/859078154.db2.gz YNMUMZTXVPHRQC-UHFFFAOYSA-N 1 0 406.530 4.060 20 30 HIEDRO C[NH+](C)[C@@H]1CCOc2c(NCc3cn(CCC#N)nc3-c3ccccc3)cccc21 ZINC000433206875 859567026 /nfs/dbraw/zinc/56/70/26/859567026.db2.gz PGDLQXWUQHGGEC-JOCHJYFZSA-N 1 0 401.514 4.461 20 30 HIEDRO COc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)ccc1OC(C)C ZINC000467644338 881438952 /nfs/dbraw/zinc/43/89/52/881438952.db2.gz AYIJUHBAXIADJJ-UHFFFAOYSA-N 1 0 422.529 4.094 20 30 HIEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CC[C@H](Cc4ccc(Br)cc4)C3)o2)cc1 ZINC000433292849 859622334 /nfs/dbraw/zinc/62/23/34/859622334.db2.gz ANASOXRSSYOXLX-QGZVFWFLSA-N 1 0 423.314 4.435 20 30 HIEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H](Cc2ccc(Br)cc2)C1 ZINC000433307898 859630869 /nfs/dbraw/zinc/63/08/69/859630869.db2.gz WFLUEHLKDDHMFP-QGZVFWFLSA-N 1 0 412.331 4.214 20 30 HIEDRO CN1CCC[C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)[C@H]1c1cccs1 ZINC000433320199 859637547 /nfs/dbraw/zinc/63/75/47/859637547.db2.gz TXYJNJGLLKNYMG-CVDCTZTESA-N 1 0 420.586 4.093 20 30 HIEDRO Cc1ccc([C@@H](C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)N2CCCC2)cc1 ZINC000433320401 859639090 /nfs/dbraw/zinc/63/90/90/859639090.db2.gz UIOGCCZHMHRUMI-XMMPIXPASA-N 1 0 414.557 4.094 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)sc2c1CCCC2 ZINC000433320600 859639362 /nfs/dbraw/zinc/63/93/62/859639362.db2.gz LVSNFJURPMROCA-QFIPXVFZSA-N 1 0 423.582 4.321 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCCO[C@@H]2CCCc3ccccc32)c(-c2ccncc2)n1 ZINC000433329957 859646594 /nfs/dbraw/zinc/64/65/94/859646594.db2.gz AAMBBJUIRDAULN-XMMPIXPASA-N 1 0 415.541 4.433 20 30 HIEDRO COc1ccc([C@H]([NH2+][C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c2ccc(C)cc2)cc1 ZINC000433699336 859842656 /nfs/dbraw/zinc/84/26/56/859842656.db2.gz MPKJXDYEWYMABC-JWQCQUIFSA-N 1 0 411.505 4.360 20 30 HIEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1c(F)cc(C#N)cc1F ZINC000434324310 860284901 /nfs/dbraw/zinc/28/49/01/860284901.db2.gz CKLZEUZGIIZKIQ-GOSISDBHSA-N 1 0 421.451 4.041 20 30 HIEDRO COc1ccc2[nH]cc(C3=CCN([C@H]4CCN(c5sccc5C#N)C4=O)CC3)c2c1 ZINC000434836738 860514362 /nfs/dbraw/zinc/51/43/62/860514362.db2.gz PGURMCPWHLLBQE-NRFANRHFSA-N 1 0 418.522 4.004 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c(-c2ccncc2)n1 ZINC000435124295 860651638 /nfs/dbraw/zinc/65/16/38/860651638.db2.gz NXFQAYRQGHYLNS-FQEVSTJZSA-N 1 0 417.488 4.093 20 30 HIEDRO COc1cc(C[N@H+](C)Cc2cn(CCC#N)nc2-c2ccncc2)ccc1SC ZINC000435124543 860652164 /nfs/dbraw/zinc/65/21/64/860652164.db2.gz QLOWBGFCUHFRJE-UHFFFAOYSA-N 1 0 407.543 4.221 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)c(-c2ccncc2)n1 ZINC000435132424 860655936 /nfs/dbraw/zinc/65/59/36/860655936.db2.gz XKKUWXAHHBVOPF-UHFFFAOYSA-N 1 0 404.493 4.074 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(COc3ccccc3)CC2)c(-c2ccncc2)n1 ZINC000435134233 860657622 /nfs/dbraw/zinc/65/76/22/860657622.db2.gz GPGRUBCSZDJDFQ-UHFFFAOYSA-N 1 0 401.514 4.150 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1C#N ZINC000435162523 860671785 /nfs/dbraw/zinc/67/17/85/860671785.db2.gz LMTUWORHKCGAKT-UHFFFAOYSA-N 1 0 408.399 4.312 20 30 HIEDRO CC[NH+]1CCN(c2ccccc2NC(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000435367287 860765014 /nfs/dbraw/zinc/76/50/14/860765014.db2.gz VCXKIAQTCKPYST-UHFFFAOYSA-N 1 0 415.541 4.339 20 30 HIEDRO N#CCSc1cccc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000435366312 860765161 /nfs/dbraw/zinc/76/51/61/860765161.db2.gz LBFTZXUGYWTACY-FQEVSTJZSA-N 1 0 417.538 4.198 20 30 HIEDRO Cc1oc(C#N)cc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000435462281 860806921 /nfs/dbraw/zinc/80/69/21/860806921.db2.gz BRKJNIGIMFCYCE-KXBFYZLASA-N 1 0 405.420 4.291 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)cc1C#N ZINC000435555665 860874223 /nfs/dbraw/zinc/87/42/23/860874223.db2.gz YVHUMPCXCXWBKE-UHFFFAOYSA-N 1 0 406.530 4.474 20 30 HIEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000435563702 860885347 /nfs/dbraw/zinc/88/53/47/860885347.db2.gz NAANONFZTGVWEW-JOCHJYFZSA-N 1 0 421.545 4.259 20 30 HIEDRO N#CCCCn1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000435576282 860893342 /nfs/dbraw/zinc/89/33/42/860893342.db2.gz GLWHQBMUJMSCBR-UHFFFAOYSA-N 1 0 400.526 4.339 20 30 HIEDRO CC[NH+](CC)CCN(C(=O)c1cc(C#N)oc1C)c1cccc(Br)c1 ZINC000435685095 860966838 /nfs/dbraw/zinc/96/68/38/860966838.db2.gz NTPLRVDPIJIFFE-UHFFFAOYSA-N 1 0 404.308 4.211 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000435732640 861015615 /nfs/dbraw/zinc/01/56/15/861015615.db2.gz RAEHOHNVOKTHEQ-OFNKIYASSA-N 1 0 403.526 4.018 20 30 HIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000435737324 861018607 /nfs/dbraw/zinc/01/86/07/861018607.db2.gz HBZWZZNVZUYZGM-AUSIDOKSSA-N 1 0 412.486 4.253 20 30 HIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] ZINC000435739243 861020513 /nfs/dbraw/zinc/02/05/13/861020513.db2.gz FQMJWGLRVFGYAU-FDDCHVKYSA-N 1 0 412.486 4.253 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000435741462 861022406 /nfs/dbraw/zinc/02/24/06/861022406.db2.gz PFGGTPXYFOJWNQ-XXBNENTESA-N 1 0 412.486 4.253 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000435749633 861029502 /nfs/dbraw/zinc/02/95/02/861029502.db2.gz KOMDMICYSMMDBU-KKSFZXQISA-N 1 0 417.347 4.494 20 30 HIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000435749630 861029742 /nfs/dbraw/zinc/02/97/42/861029742.db2.gz KOMDMICYSMMDBU-HRAATJIYSA-N 1 0 417.347 4.494 20 30 HIEDRO C=CCC[C@H](NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)c1ccccc1 ZINC000435766356 861042534 /nfs/dbraw/zinc/04/25/34/861042534.db2.gz WYIDIEHAZKIIJC-DEOSSOPVSA-N 1 0 407.558 4.150 20 30 HIEDRO COc1cc(C#N)ccc1OCCCC(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000438346216 863816721 /nfs/dbraw/zinc/81/67/21/863816721.db2.gz CDXBNOGOSAJAII-UHFFFAOYSA-N 1 0 407.514 4.336 20 30 HIEDRO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccccc2SCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000438456536 863880062 /nfs/dbraw/zinc/88/00/62/863880062.db2.gz QNINDOOKPCRZAN-CTNGQTDRSA-N 1 0 422.598 4.226 20 30 HIEDRO COc1ccc(Br)cc1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000438462933 863885329 /nfs/dbraw/zinc/88/53/29/863885329.db2.gz RWJKQXQANLGOQQ-UHFFFAOYSA-N 1 0 416.319 4.204 20 30 HIEDRO N#CCC[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)c1ccccc1 ZINC000438835206 864328691 /nfs/dbraw/zinc/32/86/91/864328691.db2.gz BROYPXZFRIQJPZ-FQEVSTJZSA-N 1 0 400.592 4.082 20 30 HIEDRO C[C@@H](Nc1ccc(CC[NH+]2CCSCC2)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000439570387 864892863 /nfs/dbraw/zinc/89/28/63/864892863.db2.gz JMXDSBHWVUIIKW-HXUWFJFHSA-N 1 0 422.598 4.025 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000439579880 864899977 /nfs/dbraw/zinc/89/99/77/864899977.db2.gz HDNHFKYPBPOPRQ-WOJBJXKFSA-N 1 0 422.495 4.144 20 30 HIEDRO CCCc1c(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)cnn1-c1cccc(C#N)c1 ZINC000439694834 865031241 /nfs/dbraw/zinc/03/12/41/865031241.db2.gz XCZQZFDVCAARHQ-SFHVURJKSA-N 1 0 408.550 4.082 20 30 HIEDRO O=C(Nc1cccc(F)c1)C1CC[NH+](CC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000439812386 865128531 /nfs/dbraw/zinc/12/85/31/865128531.db2.gz WQVMDLLMHAUETN-UHFFFAOYSA-N 1 0 420.406 4.427 20 30 HIEDRO CC[C@H](C)[C@@H]([NH2+]Cc1ccc(C#N)c(OC)c1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000440808236 865926978 /nfs/dbraw/zinc/92/69/78/865926978.db2.gz PVXOOBZSQAXEEF-MHECFPHRSA-N 1 0 420.557 4.310 20 30 HIEDRO C=CCC[C@H](NC(=O)NC1CC[NH+](CCOC)CC1)c1ccc(C(F)(F)F)cc1 ZINC000440840500 865951890 /nfs/dbraw/zinc/95/18/90/865951890.db2.gz FQGNRSANJROZHV-IBGZPJMESA-N 1 0 413.484 4.123 20 30 HIEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000441329817 866401781 /nfs/dbraw/zinc/40/17/81/866401781.db2.gz DTMXVXDBXLXXGR-MBSDFSHPSA-N 1 0 408.521 4.364 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c1C ZINC000441344048 866415142 /nfs/dbraw/zinc/41/51/42/866415142.db2.gz XFWYAHBARBWWDQ-DEOSSOPVSA-N 1 0 404.558 4.453 20 30 HIEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)c(OC)c1 ZINC000441368536 866437778 /nfs/dbraw/zinc/43/77/78/866437778.db2.gz ZPWRJQVPUSGEHE-XZOQPEGZSA-N 1 0 410.558 4.067 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000441933357 866997922 /nfs/dbraw/zinc/99/79/22/866997922.db2.gz LKLICWWBQIUTJE-GOSISDBHSA-N 1 0 411.575 4.115 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CC(C)(C)CC(=O)c1ccccc1 ZINC000442305277 867314804 /nfs/dbraw/zinc/31/48/04/867314804.db2.gz IPVZMKYHEPCXKX-UHFFFAOYSA-N 1 0 405.542 4.138 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)s1 ZINC000442715348 867643985 /nfs/dbraw/zinc/64/39/85/867643985.db2.gz BKEVAJXRHJCXKU-DOMZBBRYSA-N 1 0 404.333 4.228 20 30 HIEDRO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[C@H](C)[NH2+]CC1CCC(C#N)CC1 ZINC000442867448 867704288 /nfs/dbraw/zinc/70/42/88/867704288.db2.gz LPENSNZMDYYRDY-IGEOTXOUSA-N 1 0 405.564 4.178 20 30 HIEDRO CS(=O)(=O)c1cccc([C@H]([NH2+]CC2CCC(C#N)CC2)c2ccc(F)cc2F)c1 ZINC000442865725 867704506 /nfs/dbraw/zinc/70/45/06/867704506.db2.gz GGBIBOZDOPZQES-LGHDPPOTSA-N 1 0 418.509 4.377 20 30 HIEDRO N#CC1CCC(C[NH2+]Cc2cc(Br)cc(Br)c2N)CC1 ZINC000443070230 867809686 /nfs/dbraw/zinc/80/96/86/867809686.db2.gz YSTVZMDVEVRSQX-UHFFFAOYSA-N 1 0 401.146 4.213 20 30 HIEDRO N#Cc1cccc(-c2cc(C(=O)NC3CC[NH+](Cc4ccc(Cl)cc4)CC3)on2)c1 ZINC000468238073 882130726 /nfs/dbraw/zinc/13/07/26/882130726.db2.gz OVZMSKZROXJXIT-UHFFFAOYSA-N 1 0 420.900 4.261 20 30 HIEDRO N#Cc1cccc(OC2CC[NH+](C[C@@H](O)Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000443633852 868213093 /nfs/dbraw/zinc/21/30/93/868213093.db2.gz QJQOCKKLPSUYGS-SFHVURJKSA-N 1 0 404.432 4.024 20 30 HIEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000443852265 868381662 /nfs/dbraw/zinc/38/16/62/868381662.db2.gz KRXVFJAFENMIHN-UHFFFAOYSA-N 1 0 406.477 4.280 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000443906094 868442098 /nfs/dbraw/zinc/44/20/98/868442098.db2.gz IIAQHDRGRPZGHE-HSZRJFAPSA-N 1 0 424.570 4.005 20 30 HIEDRO CC(C)CN(CC[NH+](C)C)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000444021407 868548559 /nfs/dbraw/zinc/54/85/59/868548559.db2.gz IBOXWMMJUCRLFE-UHFFFAOYSA-N 1 0 408.546 4.383 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000444205027 868665217 /nfs/dbraw/zinc/66/52/17/868665217.db2.gz KZHLAKPPYQVMBR-MSOLQXFVSA-N 1 0 414.619 4.023 20 30 HIEDRO COc1ccccc1C[C@H](C)[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000444236743 868686145 /nfs/dbraw/zinc/68/61/45/868686145.db2.gz JJKDANPAQKTPOQ-INIZCTEOSA-N 1 0 411.571 4.399 20 30 HIEDRO N#CCCCn1cc(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)c2ccccc21 ZINC000444318949 868747437 /nfs/dbraw/zinc/74/74/37/868747437.db2.gz YWGVVYVUCUZEPT-UHFFFAOYSA-N 1 0 416.525 4.154 20 30 HIEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(c2nc3cccc(C)c3o2)CC1 ZINC000444784866 869003518 /nfs/dbraw/zinc/00/35/18/869003518.db2.gz PFQCBHOPGSNYMT-OAQYLSRUSA-N 1 0 406.526 4.484 20 30 HIEDRO C[N@H+](CCC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445894698 869876152 /nfs/dbraw/zinc/87/61/52/869876152.db2.gz RCSVISCQCUJKGV-GOSISDBHSA-N 1 0 414.303 4.105 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000446634299 870540891 /nfs/dbraw/zinc/54/08/91/870540891.db2.gz CRVMQEHLRJVSKU-ZEQRLZLVSA-N 1 0 404.558 4.043 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000447037786 870914344 /nfs/dbraw/zinc/91/43/44/870914344.db2.gz CDGRLRFSHKNJQG-UHFFFAOYSA-N 1 0 424.358 4.160 20 30 HIEDRO CC[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1ccc(C#N)cc1 ZINC000447526352 871390252 /nfs/dbraw/zinc/39/02/52/871390252.db2.gz CVYOTQRGUAHWNC-HXUWFJFHSA-N 1 0 414.347 4.410 20 30 HIEDRO CC[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccc(C#N)cc1 ZINC000447585132 871495124 /nfs/dbraw/zinc/49/51/24/871495124.db2.gz IJBZJNRCNZEMMB-HXUWFJFHSA-N 1 0 414.347 4.398 20 30 HIEDRO CC(C)c1ccc2ncc(C#N)c(N3CCC(C)(C[NH+]4CCN(C)CC4)CC3)c2c1 ZINC000447688182 871621234 /nfs/dbraw/zinc/62/12/34/871621234.db2.gz GHDCXNKQSPVCQF-UHFFFAOYSA-N 1 0 405.590 4.084 20 30 HIEDRO O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N(CCC(F)(F)F)CC(F)(F)F ZINC000468541274 882578229 /nfs/dbraw/zinc/57/82/29/882578229.db2.gz FOCCDVNGGDDWIB-CQSZACIVSA-N 1 0 414.365 4.381 20 30 HIEDRO N#Cc1ccc(OCc2cccc(C(=O)N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2)cc1 ZINC000448204512 872094640 /nfs/dbraw/zinc/09/46/40/872094640.db2.gz OHFMIJYFYGBEKK-RDGATRHJSA-N 1 0 415.537 4.226 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1C ZINC000448283085 872208372 /nfs/dbraw/zinc/20/83/72/872208372.db2.gz XAXRKLSHORMBPH-NRFANRHFSA-N 1 0 421.589 4.178 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1OC(F)F ZINC000460251151 872839095 /nfs/dbraw/zinc/83/90/95/872839095.db2.gz KFESIVGNWQPFAD-UHFFFAOYSA-N 1 0 422.863 4.409 20 30 HIEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460373615 873010869 /nfs/dbraw/zinc/01/08/69/873010869.db2.gz DZWKDHATEFGFGD-XMSQKQJNSA-N 1 0 404.562 4.236 20 30 HIEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000460374710 873012483 /nfs/dbraw/zinc/01/24/83/873012483.db2.gz MBKLGEQCSSZVMQ-WIOPSUGQSA-N 1 0 421.589 4.198 20 30 HIEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460380206 873022417 /nfs/dbraw/zinc/02/24/17/873022417.db2.gz MDWFNCILHIJNAU-AVRDEDQJSA-N 1 0 406.578 4.093 20 30 HIEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000460541632 873240430 /nfs/dbraw/zinc/24/04/30/873240430.db2.gz AJJQOLHBHIPRSS-QFIPXVFZSA-N 1 0 402.546 4.017 20 30 HIEDRO CC(C)Cn1c(-c2ccccc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460598202 873339961 /nfs/dbraw/zinc/33/99/61/873339961.db2.gz GXFOWVWIUMLMKK-UHFFFAOYSA-N 1 0 414.557 4.185 20 30 HIEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460765778 873608337 /nfs/dbraw/zinc/60/83/37/873608337.db2.gz DEJLQGJLCHHBLR-UYAOXDASSA-N 1 0 418.545 4.239 20 30 HIEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000460770570 873617046 /nfs/dbraw/zinc/61/70/46/873617046.db2.gz RRLZLULMOPLWDX-BVSLBCMMSA-N 1 0 409.578 4.368 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460777798 873629826 /nfs/dbraw/zinc/62/98/26/873629826.db2.gz IXBQFKDHTIFLON-XXTHSBEZSA-N 1 0 423.605 4.266 20 30 HIEDRO C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460782265 873638293 /nfs/dbraw/zinc/63/82/93/873638293.db2.gz AUISUXUYNVXTDY-SIKLNZKXSA-N 1 0 419.577 4.016 20 30 HIEDRO C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460794911 873663806 /nfs/dbraw/zinc/66/38/06/873663806.db2.gz BEHYBWRTCCAKLB-HXUWFJFHSA-N 1 0 418.589 4.468 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460948719 873847013 /nfs/dbraw/zinc/84/70/13/873847013.db2.gz XCDNNWPDZMGCAC-XXTHSBEZSA-N 1 0 421.589 4.162 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460951776 873850840 /nfs/dbraw/zinc/85/08/40/873850840.db2.gz XWDFCWIGCNCZTP-GOSISDBHSA-N 1 0 415.557 4.444 20 30 HIEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460961154 873857195 /nfs/dbraw/zinc/85/71/95/873857195.db2.gz UYBQRUUCMKHWKS-BVSLBCMMSA-N 1 0 409.578 4.195 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc2c(c1)CCC(=O)N2CCCC#N ZINC000468760854 882847481 /nfs/dbraw/zinc/84/74/81/882847481.db2.gz ANGPIRZITGNFQN-XXBNENTESA-N 1 0 402.542 4.202 20 30 HIEDRO C[C@H](C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1)c1cccc(C#N)c1 ZINC000461908705 875052394 /nfs/dbraw/zinc/05/23/94/875052394.db2.gz NZGAVDULKZCNQB-SFHVURJKSA-N 1 0 404.514 4.115 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCc2sc(Cl)cc21 ZINC000462040458 875154323 /nfs/dbraw/zinc/15/43/23/875154323.db2.gz NTSFQPYHHLHROA-KRWDZBQOSA-N 1 0 402.951 4.034 20 30 HIEDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000462249535 875370131 /nfs/dbraw/zinc/37/01/31/875370131.db2.gz WKYPMNPYKJWJLG-INIZCTEOSA-N 1 0 414.347 4.015 20 30 HIEDRO C=CCc1cc(C[NH2+]Cc2cc(Br)cc3c2OCC3)cc(OC)c1O ZINC000462521794 875638723 /nfs/dbraw/zinc/63/87/23/875638723.db2.gz DFNIWHFQJRRRQE-UHFFFAOYSA-N 1 0 404.304 4.117 20 30 HIEDRO C[C@H]1C[C@H]([NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)C(=O)N1c1ccccc1 ZINC000462739350 875810123 /nfs/dbraw/zinc/81/01/23/875810123.db2.gz VZZDOQGDKJMURE-DFBJGRDBSA-N 1 0 411.505 4.421 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(Br)cc1OCCCO)c1cccc(C#N)c1 ZINC000462948527 875968572 /nfs/dbraw/zinc/96/85/72/875968572.db2.gz NXGLQUHZAPVSIE-HUUCEWRRSA-N 1 0 403.320 4.494 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)CC2)cc1 ZINC000463235111 876289743 /nfs/dbraw/zinc/28/97/43/876289743.db2.gz GGFXUSYDTOWHBK-IZZNHLLZSA-N 1 0 421.560 4.025 20 30 HIEDRO CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000463278015 876334327 /nfs/dbraw/zinc/33/43/27/876334327.db2.gz UPOOKUXDTVOQJE-SANMLTNESA-N 1 0 404.602 4.269 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000463778178 876897923 /nfs/dbraw/zinc/89/79/23/876897923.db2.gz XLRAVJVGPJLDFL-UHFFFAOYSA-N 1 0 408.542 4.041 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1C ZINC000464331949 877523322 /nfs/dbraw/zinc/52/33/22/877523322.db2.gz JBJAYXFOWCLUAA-QFIPXVFZSA-N 1 0 419.573 4.075 20 30 HIEDRO N#Cc1ccc(OCc2cccc(C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)c2)cc1 ZINC000464346572 877537194 /nfs/dbraw/zinc/53/71/94/877537194.db2.gz NEOGCJNFBTYKOY-HSZRJFAPSA-N 1 0 403.526 4.132 20 30 HIEDRO CC[NH+](CC)C[C@@H]1CCN(Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000464769797 878013471 /nfs/dbraw/zinc/01/34/71/878013471.db2.gz AIKRVYLILFIDOC-QHCPKHFHSA-N 1 0 407.558 4.310 20 30 HIEDRO Cc1ccc(CC[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@H]2CCCO2)cc1 ZINC000464779153 878022904 /nfs/dbraw/zinc/02/29/04/878022904.db2.gz QZWCCEUAGLWPLN-JOCHJYFZSA-N 1 0 402.498 4.140 20 30 HIEDRO CCS[C@@H]1CC[C@H]([N@H+](C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 ZINC000464780532 878024375 /nfs/dbraw/zinc/02/43/75/878024375.db2.gz UDHWAIXCAGWJIB-PKOBYXMFSA-N 1 0 414.575 4.162 20 30 HIEDRO Cc1cc(C#N)ccc1Oc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000464795708 878042067 /nfs/dbraw/zinc/04/20/67/878042067.db2.gz RWKQWRYXNDYRQQ-NRFANRHFSA-N 1 0 403.526 4.463 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH+]2CCC(OCC3CC3)CC2)sc2c1CCCCC2 ZINC000464816336 878068888 /nfs/dbraw/zinc/06/88/88/878068888.db2.gz DCRHXKGPABVDIR-UHFFFAOYSA-N 1 0 401.576 4.108 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2OC(F)F)CC1 ZINC000464816806 878069989 /nfs/dbraw/zinc/06/99/89/878069989.db2.gz ZWBHGAJTICDZOR-UHFFFAOYSA-N 1 0 422.303 4.435 20 30 HIEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464850896 878127078 /nfs/dbraw/zinc/12/70/78/878127078.db2.gz PIMCZKHIYVSDGC-LEWJYISDSA-N 1 0 422.548 4.057 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nc2cc(F)ccc2o1 ZINC000464902582 878213859 /nfs/dbraw/zinc/21/38/59/878213859.db2.gz JYYIBOVZIKUTPE-UHFFFAOYSA-N 1 0 401.511 4.065 20 30 HIEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000465137179 878518380 /nfs/dbraw/zinc/51/83/80/878518380.db2.gz HZGWXJGKMSJSLH-HSZRJFAPSA-N 1 0 404.514 4.117 20 30 HIEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCc2cc(C#N)ccc2F)C1 ZINC000465535830 878996306 /nfs/dbraw/zinc/99/63/06/878996306.db2.gz ZNDFWDDCNZYFQH-QZTJIDSGSA-N 1 0 408.521 4.175 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000465589778 879072876 /nfs/dbraw/zinc/07/28/76/879072876.db2.gz DHNCWWYPGVRWGW-SMIHKQSGSA-N 1 0 402.542 4.305 20 30 HIEDRO C[N@H+](Cc1ccccc1CNC(=O)NCCOc1ccc(C#N)cc1)C1CCCCC1 ZINC000465712396 879282829 /nfs/dbraw/zinc/28/28/29/879282829.db2.gz BVBPVOKTCJVLHJ-UHFFFAOYSA-N 1 0 420.557 4.201 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)NCc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000465868397 879519785 /nfs/dbraw/zinc/51/97/85/879519785.db2.gz YQAAXPYJBCFMSX-UHFFFAOYSA-N 1 0 424.492 4.279 20 30 HIEDRO C=CCOc1ccc(C[NH2+]Cc2ccc(I)c(C)c2)cc1OC ZINC000466365170 880123535 /nfs/dbraw/zinc/12/35/35/880123535.db2.gz UTYYACGRUQIOAC-UHFFFAOYSA-N 1 0 423.294 4.463 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SC[C@H]1CCC2(CCCCC2)O1 ZINC000466412031 880181580 /nfs/dbraw/zinc/18/15/80/880181580.db2.gz JWWMEFLELQGRTA-LJQANCHMSA-N 1 0 404.624 4.467 20 30 HIEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000466602028 880372376 /nfs/dbraw/zinc/37/23/76/880372376.db2.gz QAHFBUVOIGPJRQ-UHFFFAOYSA-N 1 0 421.545 4.140 20 30 HIEDRO CCC[C@H]1CN(C(=O)Nc2ncccc2OCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000466621885 880393248 /nfs/dbraw/zinc/39/32/48/880393248.db2.gz VUEHPLOQCYGXOH-NRFANRHFSA-N 1 0 421.545 4.283 20 30 HIEDRO CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000467058739 880845934 /nfs/dbraw/zinc/84/59/34/880845934.db2.gz QYZRSNPFMHJJFM-XMMPIXPASA-N 1 0 422.548 4.182 20 30 HIEDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN([C@@H](C)C(=O)Nc1sc3c(c1C#N)CCCCC3)CC2 ZINC000467210274 880938905 /nfs/dbraw/zinc/93/89/05/880938905.db2.gz CRPWMKHYYZOSMB-KSZLIROESA-N 1 0 414.619 4.163 20 30 HIEDRO COCC[C@@H]1CCCC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)C1 ZINC000467263646 881000606 /nfs/dbraw/zinc/00/06/06/881000606.db2.gz BJZODNWHTDCMKV-IBGZPJMESA-N 1 0 400.567 4.169 20 30 HIEDRO C=CCN1CC[C@@H](N(C)Cc2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)C1=O ZINC000467511959 881325455 /nfs/dbraw/zinc/32/54/55/881325455.db2.gz MKMQUVNGMUSFJF-QGZVFWFLSA-N 1 0 415.877 4.259 20 30 HIEDRO COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1 ZINC000469217667 883317393 /nfs/dbraw/zinc/31/73/93/883317393.db2.gz IKZJUOYCMAHVNG-OLZOCXBDSA-N 1 0 402.292 4.007 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)Nc3nc(CN4CCCCC4)cs3)CC2)cc1 ZINC000503641147 912744345 /nfs/dbraw/zinc/74/43/45/912744345.db2.gz CIQWSXWMRLGRCV-UHFFFAOYSA-N 1 0 407.543 4.322 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1nc2ccccc2o1 ZINC000469737094 883893850 /nfs/dbraw/zinc/89/38/50/883893850.db2.gz LQRHROCOBUBGRQ-UHFFFAOYSA-N 1 0 408.527 4.490 20 30 HIEDRO CCCn1c(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc2ccccc21 ZINC000469821045 884000413 /nfs/dbraw/zinc/00/04/13/884000413.db2.gz OLDIBJLAPSUCQW-UHFFFAOYSA-N 1 0 400.526 4.339 20 30 HIEDRO CCCCOc1cc(OC)ccc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000470117665 884378347 /nfs/dbraw/zinc/37/83/47/884378347.db2.gz NZRJVXNBVYWQGP-UHFFFAOYSA-N 1 0 421.541 4.162 20 30 HIEDRO C=CCN(CCc1ccco1)C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470285319 884654541 /nfs/dbraw/zinc/65/45/41/884654541.db2.gz KOCYEWMMFVKKOR-LJQANCHMSA-N 1 0 409.452 4.341 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)cc1 ZINC000503947563 912878100 /nfs/dbraw/zinc/87/81/00/912878100.db2.gz RPSKAGCLNCMFBO-NRFANRHFSA-N 1 0 416.437 4.012 20 30 HIEDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)ccc21 ZINC000470904596 885409554 /nfs/dbraw/zinc/40/95/54/885409554.db2.gz YETCQXZRXNDEFJ-JOCHJYFZSA-N 1 0 413.525 4.176 20 30 HIEDRO C=C(C)C[N@H+](Cc1ccccc1)Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 ZINC000470935844 885438742 /nfs/dbraw/zinc/43/87/42/885438742.db2.gz YPKFEWMGRPYUOP-UHFFFAOYSA-N 1 0 405.424 4.120 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+](CCCO)[C@H]1CCCc3ccccc31)CCC2 ZINC000471032146 885538988 /nfs/dbraw/zinc/53/89/88/885538988.db2.gz OKJJKARVERYZMU-NRFANRHFSA-N 1 0 423.582 4.199 20 30 HIEDRO COc1cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)ccc1OCc1cccc(C#N)c1 ZINC000471181243 885746001 /nfs/dbraw/zinc/74/60/01/885746001.db2.gz KRUNMVYXFHIMFQ-NRFANRHFSA-N 1 0 402.498 4.249 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)CC1 ZINC000471303046 885891109 /nfs/dbraw/zinc/89/11/09/885891109.db2.gz DLFWSQSBJVBEBS-UHFFFAOYSA-N 1 0 409.918 4.160 20 30 HIEDRO C[C@H](CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[N@H+](C)Cc1ccccc1 ZINC000471465779 886152935 /nfs/dbraw/zinc/15/29/35/886152935.db2.gz CJNHPMCPPRMFGV-LJQANCHMSA-N 1 0 414.509 4.386 20 30 HIEDRO CC(C)(C#N)CCC[NH+]1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000471729640 886447099 /nfs/dbraw/zinc/44/70/99/886447099.db2.gz XKRCZUFXOSXQPW-UHFFFAOYSA-N 1 0 421.467 4.203 20 30 HIEDRO CC(C)[C@@H](CO)[N@H+](CC(=O)c1cn(CCC#N)c2ccccc12)Cc1ccccc1 ZINC000472252647 887063241 /nfs/dbraw/zinc/06/32/41/887063241.db2.gz VIMGXSQZRRRHGA-XMMPIXPASA-N 1 0 403.526 4.257 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)[C@@H](C)c2cccc(O)c2)c1C#N ZINC000472263811 887076764 /nfs/dbraw/zinc/07/67/64/887076764.db2.gz WKAVQNORXJZOKU-SFHVURJKSA-N 1 0 420.513 4.345 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2ccccc2)c2ccc3c(c2)CCCO3)CC1 ZINC000504248585 913114340 /nfs/dbraw/zinc/11/43/40/913114340.db2.gz YASFWJBZTNVRSJ-XMMPIXPASA-N 1 0 405.542 4.051 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CC[C@@H](c3ccccc3)C2)c1C#N ZINC000472432692 887280205 /nfs/dbraw/zinc/28/02/05/887280205.db2.gz QGFISSMQSKHRAZ-OAQYLSRUSA-N 1 0 416.525 4.436 20 30 HIEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000472494140 887363367 /nfs/dbraw/zinc/36/33/67/887363367.db2.gz DZBZHQLMOBZHQK-SFTDATJTSA-N 1 0 419.569 4.380 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000504336689 913176088 /nfs/dbraw/zinc/17/60/88/913176088.db2.gz ADUDBWYFSCQPDI-NFBKMPQASA-N 1 0 419.569 4.255 20 30 HIEDRO O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1cc(C(F)(F)F)ccc1F ZINC000473516623 888248460 /nfs/dbraw/zinc/24/84/60/888248460.db2.gz CPUCJXWPIIUDRB-UHFFFAOYSA-N 1 0 412.349 4.380 20 30 HIEDRO COc1ccc(C#N)cc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473615735 888356131 /nfs/dbraw/zinc/35/61/31/888356131.db2.gz RHYMMFRHTCVKKE-XMMPIXPASA-N 1 0 404.514 4.087 20 30 HIEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CCCN(c4ccc(Cl)cc4Cl)C3)n2c1 ZINC000474006963 888864924 /nfs/dbraw/zinc/86/49/24/888864924.db2.gz HRUVNEUXXXPESM-MRXNPFEDSA-N 1 0 400.313 4.271 20 30 HIEDRO N#Cc1ccc(C(F)(F)F)nc1N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000474183024 889022204 /nfs/dbraw/zinc/02/22/04/889022204.db2.gz GHZISCCKNDINLZ-OAQYLSRUSA-N 1 0 400.448 4.465 20 30 HIEDRO COc1ccc([C@H](CNC(=O)c2ccc(C(C)(C)C#N)cc2)[NH+]2CCCCC2)cc1 ZINC000474200490 889039464 /nfs/dbraw/zinc/03/94/64/889039464.db2.gz ULEXIDBOZPQWLD-QHCPKHFHSA-N 1 0 405.542 4.453 20 30 HIEDRO COc1ccc(CC2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)cc1 ZINC000504521162 913304370 /nfs/dbraw/zinc/30/43/70/913304370.db2.gz JADUVVUTMKBZJW-IBGZPJMESA-N 1 0 423.532 4.424 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000474224775 889065669 /nfs/dbraw/zinc/06/56/69/889065669.db2.gz GKXARXMKERNFFQ-LJQANCHMSA-N 1 0 422.598 4.033 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ncccc1OCc1cccc(Cl)c1 ZINC000475260241 890152012 /nfs/dbraw/zinc/15/20/12/890152012.db2.gz BAHZZAQJMLWUCF-UHFFFAOYSA-N 1 0 415.925 4.013 20 30 HIEDRO CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475323648 890244930 /nfs/dbraw/zinc/24/49/30/890244930.db2.gz YSUVIJAVVSAQBP-OAQYLSRUSA-N 1 0 415.493 4.077 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000475582400 890511973 /nfs/dbraw/zinc/51/19/73/890511973.db2.gz NBLHNVAIYKPAQB-HXUWFJFHSA-N 1 0 411.546 4.484 20 30 HIEDRO N#CC[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000476065215 890994972 /nfs/dbraw/zinc/99/49/72/890994972.db2.gz VQMQDNNPEYMEEL-FPOVZHCZSA-N 1 0 415.459 4.483 20 30 HIEDRO C=CCCC1(C(=O)NC2CC[NH+](CCOc3ccc(Br)cc3)CC2)CC1 ZINC000476087451 891010359 /nfs/dbraw/zinc/01/03/59/891010359.db2.gz AINJAUYWHNTYTG-UHFFFAOYSA-N 1 0 421.379 4.155 20 30 HIEDRO C[C@@H]1C[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000504825127 913543215 /nfs/dbraw/zinc/54/32/15/913543215.db2.gz HMTREUPSKVFKIY-NTKDMRAZSA-N 1 0 400.526 4.020 20 30 HIEDRO N#Cc1ccc(Cl)cc1NC(=O)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000477069466 892002593 /nfs/dbraw/zinc/00/25/93/892002593.db2.gz BJNZPVDEGBPCMK-XMMPIXPASA-N 1 0 422.960 4.138 20 30 HIEDRO O=C(NCC#Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000477273340 892224912 /nfs/dbraw/zinc/22/49/12/892224912.db2.gz PVZYTFGBUGLXOM-UHFFFAOYSA-N 1 0 400.444 4.085 20 30 HIEDRO C=CCc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CCCc3nc(CC)sc32)c(OC)c1 ZINC000478036482 893168852 /nfs/dbraw/zinc/16/88/52/893168852.db2.gz KZBAMUPKQUMVNP-IEBWSBKVSA-N 1 0 416.587 4.192 20 30 HIEDRO C=CCOc1ccc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1OC ZINC000478352676 893601081 /nfs/dbraw/zinc/60/10/81/893601081.db2.gz GWLZOKZWAZISAS-IBGZPJMESA-N 1 0 400.563 4.377 20 30 HIEDRO C[C@@H]1C[C@@H]1c1ccc([C@H]2C[C@H]2C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000479237012 894500927 /nfs/dbraw/zinc/50/09/27/894500927.db2.gz BFBAJZRCQJMTRS-BVOGOJNSSA-N 1 0 403.526 4.181 20 30 HIEDRO CC(C)c1cccc(O[C@H](C)C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479305363 894591940 /nfs/dbraw/zinc/59/19/40/894591940.db2.gz HAPBNEOEXUSZGD-HXUWFJFHSA-N 1 0 405.542 4.252 20 30 HIEDRO Cn1cc(C[NH2+]Cc2ccnc(OC3CCCCC3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000480000319 895352907 /nfs/dbraw/zinc/35/29/07/895352907.db2.gz RZKTYIATBHNFAS-UHFFFAOYSA-N 1 0 401.514 4.355 20 30 HIEDRO Cn1cc(C[NH2+]Cc2ccc(OCc3ccccn3)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000480029084 895379336 /nfs/dbraw/zinc/37/93/36/895379336.db2.gz YURYIYKPPSPBOK-UHFFFAOYSA-N 1 0 409.493 4.223 20 30 HIEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[NH+](C)C ZINC000480289454 895694330 /nfs/dbraw/zinc/69/43/30/895694330.db2.gz GRYORLUFYBUHGD-AOMKIAJQSA-N 1 0 420.492 4.004 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000481180729 896521525 /nfs/dbraw/zinc/52/15/25/896521525.db2.gz XRLFYCCBHMUMOI-AUSIDOKSSA-N 1 0 424.976 4.087 20 30 HIEDRO CC(C)C[C@H](C)n1nccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000481452144 896848089 /nfs/dbraw/zinc/84/80/89/896848089.db2.gz SYQKJZSUPNTWDS-IBGZPJMESA-N 1 0 408.550 4.102 20 30 HIEDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)C2)c1 ZINC000481676762 897061196 /nfs/dbraw/zinc/06/11/96/897061196.db2.gz ZGUOWUNJNFUZSM-UQBPGWFLSA-N 1 0 405.542 4.459 20 30 HIEDRO N#Cc1cc(NC(=O)N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)ccc1F ZINC000481689964 897075355 /nfs/dbraw/zinc/07/53/55/897075355.db2.gz XOCYFFBFQPSOIG-UHFFFAOYSA-N 1 0 420.410 4.456 20 30 HIEDRO COc1cc(I)c(Cl)cc1C[NH2+]Cc1cccc(C#N)c1 ZINC000481744430 897138941 /nfs/dbraw/zinc/13/89/41/897138941.db2.gz REGJQKINVUHWTD-UHFFFAOYSA-N 1 0 412.658 4.115 20 30 HIEDRO N#CCSc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000481887706 897261697 /nfs/dbraw/zinc/26/16/97/897261697.db2.gz MABHXORXUZYREB-GGAORHGYSA-N 1 0 405.567 4.429 20 30 HIEDRO N#Cc1ccc(CSCC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000481904085 897284761 /nfs/dbraw/zinc/28/47/61/897284761.db2.gz KAZYVFNFZQFPAZ-ZEQRLZLVSA-N 1 0 419.594 4.305 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000481930359 897314134 /nfs/dbraw/zinc/31/41/34/897314134.db2.gz WONFQNPEKATLOG-LADGPHEKSA-N 1 0 403.526 4.024 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000481930360 897314798 /nfs/dbraw/zinc/31/47/98/897314798.db2.gz WONFQNPEKATLOG-UPVQGACJSA-N 1 0 403.526 4.024 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F ZINC000482417427 897965150 /nfs/dbraw/zinc/96/51/50/897965150.db2.gz RPTQLQPLMJKANM-HNNXBMFYSA-N 1 0 424.389 4.186 20 30 HIEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000482508126 898091606 /nfs/dbraw/zinc/09/16/06/898091606.db2.gz KZTZWYCHVLERCM-AREMUKBSSA-N 1 0 417.553 4.230 20 30 HIEDRO N#CC1(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000482548136 898138454 /nfs/dbraw/zinc/13/84/54/898138454.db2.gz GHTWIIYOOLQAKL-UHFFFAOYSA-N 1 0 419.916 4.018 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Cl)ccc1OC(F)F ZINC000482553825 898145763 /nfs/dbraw/zinc/14/57/63/898145763.db2.gz OKTIAVFZXYTOKP-UHFFFAOYSA-N 1 0 407.848 4.017 20 30 HIEDRO C=C(C)[C@H](NC(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)c1ccc(F)c(F)c1 ZINC000482626721 898229845 /nfs/dbraw/zinc/22/98/45/898229845.db2.gz BRKDQZBIESMCNF-RTWAWAEBSA-N 1 0 403.473 4.193 20 30 HIEDRO C=C(C)[C@H](NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)c1ccc(F)c(F)c1 ZINC000482626722 898230404 /nfs/dbraw/zinc/23/04/04/898230404.db2.gz BRKDQZBIESMCNF-SFTDATJTSA-N 1 0 403.473 4.193 20 30 HIEDRO C=C(C)C[NH+]1CCC(N[C@@H](C)c2nnn(-c3cccc(Br)c3)c2C)CC1 ZINC000482642087 898245528 /nfs/dbraw/zinc/24/55/28/898245528.db2.gz MBVGMCHOEDRPBF-HNNXBMFYSA-N 1 0 418.383 4.029 20 30 HIEDRO N#Cc1ccccc1COc1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000482644574 898248228 /nfs/dbraw/zinc/24/82/28/898248228.db2.gz TXTIOUUPQQWEEC-UHFFFAOYSA-N 1 0 403.526 4.274 20 30 HIEDRO COc1cccc([C@H]2[C@@H](NC(=O)c3cccc(SCC#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000482790694 898398788 /nfs/dbraw/zinc/39/87/88/898398788.db2.gz HUNFDVDJKYKFKU-VXKWHMMOSA-N 1 0 407.539 4.019 20 30 HIEDRO C=CCc1cc(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000483126771 898812041 /nfs/dbraw/zinc/81/20/41/898812041.db2.gz ZLOUIZQXVWGNIS-UHFFFAOYSA-N 1 0 422.569 4.351 20 30 HIEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC[C@H]21 ZINC000483369708 899006982 /nfs/dbraw/zinc/00/69/82/899006982.db2.gz SXPFNEBJHPOZBZ-SIKLNZKXSA-N 1 0 422.504 4.224 20 30 HIEDRO N#Cc1cccc(-c2nnc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)o2)c1 ZINC000483476645 899121923 /nfs/dbraw/zinc/12/19/23/899121923.db2.gz ALDFLKGPGRICJW-DHIUTWEWSA-N 1 0 413.525 4.095 20 30 HIEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483593903 899244768 /nfs/dbraw/zinc/24/47/68/899244768.db2.gz DAKPQOFJEPPZJF-VWNXMTODSA-N 1 0 417.553 4.229 20 30 HIEDRO COc1cccc([C@@H](CNC(=O)Nc2cc(C#N)ccc2OC(C)C)[NH+]2CCCC2)c1 ZINC000505654614 914351363 /nfs/dbraw/zinc/35/13/63/914351363.db2.gz ALRFAURIZCNROM-JOCHJYFZSA-N 1 0 422.529 4.313 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@@H]3CCCC[C@H]3C(F)(F)F)CC2)cc1 ZINC000484008409 899645486 /nfs/dbraw/zinc/64/54/86/899645486.db2.gz MKQCROKIOPFMBF-VQTJNVASSA-N 1 0 422.495 4.144 20 30 HIEDRO COc1ccccc1-c1nc(C2CC[NH+](Cc3ccc(C#N)cc3OC)CC2)no1 ZINC000484305531 899866540 /nfs/dbraw/zinc/86/65/40/899866540.db2.gz VJZRIDPYUKJSDA-UHFFFAOYSA-N 1 0 404.470 4.005 20 30 HIEDRO CSc1cccc(N(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C2CC[NH+](C)CC2)c1 ZINC000484404243 899929411 /nfs/dbraw/zinc/92/94/11/899929411.db2.gz MOHARDOHOOJODP-QGZVFWFLSA-N 1 0 409.555 4.175 20 30 HIEDRO C=CC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)CC1CCCCC1 ZINC000484613772 900070418 /nfs/dbraw/zinc/07/04/18/900070418.db2.gz BSQQTZUQULQJJH-OAQYLSRUSA-N 1 0 400.563 4.436 20 30 HIEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1ccc(Br)cc1Cl ZINC000484651175 900095900 /nfs/dbraw/zinc/09/59/00/900095900.db2.gz NIILYELCQZMVNM-UHFFFAOYSA-N 1 0 406.711 4.435 20 30 HIEDRO CC(C)c1c(NC(=O)N(CCC#N)CCC[NH+](C)C)cnn1-c1ccc(Cl)cc1 ZINC000485160714 900458915 /nfs/dbraw/zinc/45/89/15/900458915.db2.gz LWSRIQCQHPIQDH-UHFFFAOYSA-N 1 0 416.957 4.348 20 30 HIEDRO COc1cc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1OC(F)F ZINC000485244526 900529243 /nfs/dbraw/zinc/52/92/43/900529243.db2.gz KFYRXTULTJYIOE-KBXCAEBGSA-N 1 0 415.440 4.014 20 30 HIEDRO CCCOc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OC ZINC000485328340 900610727 /nfs/dbraw/zinc/61/07/27/900610727.db2.gz AUYORCDMPJSEGK-UTKZUKDTSA-N 1 0 407.514 4.202 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000485388849 900685017 /nfs/dbraw/zinc/68/50/17/900685017.db2.gz UQFKGESDNHLOPV-UHFFFAOYSA-N 1 0 415.497 4.341 20 30 HIEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000485432623 900728850 /nfs/dbraw/zinc/72/88/50/900728850.db2.gz OYKNAQGFWQZKPJ-IBGZPJMESA-N 1 0 410.493 4.082 20 30 HIEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000485432625 900729448 /nfs/dbraw/zinc/72/94/48/900729448.db2.gz OYKNAQGFWQZKPJ-LJQANCHMSA-N 1 0 410.493 4.082 20 30 HIEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000485524120 900806115 /nfs/dbraw/zinc/80/61/15/900806115.db2.gz WFJCKDSLZMZGML-XLIONFOSSA-N 1 0 420.561 4.132 20 30 HIEDRO CCOc1ccccc1N1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000505886620 914530695 /nfs/dbraw/zinc/53/06/95/914530695.db2.gz IUGNHTCNBZQHPG-UHFFFAOYSA-N 1 0 415.541 4.185 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000505907397 914549814 /nfs/dbraw/zinc/54/98/14/914549814.db2.gz SFFPJIPJRQOELB-TZIWHRDSSA-N 1 0 421.541 4.457 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(F)ccc21 ZINC000486469356 901629855 /nfs/dbraw/zinc/62/98/55/901629855.db2.gz OEAVEAVFWAVWRE-NRFANRHFSA-N 1 0 424.520 4.073 20 30 HIEDRO N#Cc1c(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)cn2ccccc12 ZINC000486842262 901890294 /nfs/dbraw/zinc/89/02/94/901890294.db2.gz BYLBLGVYDMOKNY-CJFMBICVSA-N 1 0 409.493 4.415 20 30 HIEDRO Cc1nc(SCC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c(C#N)c(C)c1C ZINC000505953184 914607714 /nfs/dbraw/zinc/60/77/14/914607714.db2.gz LQRIROLNYBVYTF-UZLBHIALSA-N 1 0 414.619 4.084 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC000487740972 902332661 /nfs/dbraw/zinc/33/26/61/902332661.db2.gz PQOBYCOPJJFSKV-DNQXCXABSA-N 1 0 404.558 4.358 20 30 HIEDRO C=CCc1cc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc(OC)c1OC ZINC000487828830 902393015 /nfs/dbraw/zinc/39/30/15/902393015.db2.gz AWSQUXYTIKNYGC-LJQANCHMSA-N 1 0 400.563 4.161 20 30 HIEDRO Cc1ccc([C@H](CNC(=O)Nc2ccc(C#N)c(Br)c2)[NH+]2CCCC2)o1 ZINC000487838268 902398895 /nfs/dbraw/zinc/39/88/95/902398895.db2.gz NPGGNJPCBRCZLD-KRWDZBQOSA-N 1 0 417.307 4.181 20 30 HIEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)Nc3ccc(C#N)c(Br)c3)C2)CC1 ZINC000487896697 902436351 /nfs/dbraw/zinc/43/63/51/902436351.db2.gz MKXQMMLBNWDSSF-INIZCTEOSA-N 1 0 419.367 4.297 20 30 HIEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)o1 ZINC000487955560 902482087 /nfs/dbraw/zinc/48/20/87/902482087.db2.gz WORQHHISSCQHKA-HXUWFJFHSA-N 1 0 421.541 4.458 20 30 HIEDRO Cc1ccc2ncc(C#N)c(NCC3([NH2+][C@H](C)c4ccccc4)CCOCC3)c2c1 ZINC000488072552 902583495 /nfs/dbraw/zinc/58/34/95/902583495.db2.gz VJPJTOFTIDJNNP-LJQANCHMSA-N 1 0 400.526 4.149 20 30 HIEDRO Cc1cc(C[NH2+][C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)ccc1C#N ZINC000488110964 902611492 /nfs/dbraw/zinc/61/14/92/902611492.db2.gz FNMUWGHPOBWHPK-FQEVSTJZSA-N 1 0 401.432 4.339 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000488135570 902631819 /nfs/dbraw/zinc/63/18/19/902631819.db2.gz DQBSQYVUBMRQIM-UHFFFAOYSA-N 1 0 412.515 4.054 20 30 HIEDRO CC[NH+](CC)CC1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000488394736 902805371 /nfs/dbraw/zinc/80/53/71/902805371.db2.gz VYLXDLNFWIEMTP-KRWDZBQOSA-N 1 0 416.635 4.269 20 30 HIEDRO C/C=C/COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000488507686 902861899 /nfs/dbraw/zinc/86/18/99/902861899.db2.gz RHZVDTAPHUEPMJ-OBEBKKMJSA-N 1 0 417.553 4.225 20 30 HIEDRO N#Cc1ccsc1NC(=O)CC[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000489635630 903509724 /nfs/dbraw/zinc/50/97/24/903509724.db2.gz QBYOYOVCCSVFLI-UHFFFAOYSA-N 1 0 408.502 4.227 20 30 HIEDRO C[C@@H](c1cccc(C#N)c1)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000489866795 903637424 /nfs/dbraw/zinc/63/74/24/903637424.db2.gz SJAMSVIJTNSDNF-YOEHRIQHSA-N 1 0 413.319 4.127 20 30 HIEDRO CC1(C#N)CC[NH+](C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000506048156 914743170 /nfs/dbraw/zinc/74/31/70/914743170.db2.gz VOFJWAGQNRWTQB-NRFANRHFSA-N 1 0 400.469 4.057 20 30 HIEDRO COc1ccc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1OCCCC#N ZINC000506087145 914796744 /nfs/dbraw/zinc/79/67/44/914796744.db2.gz SOHHVSAJHLEFNU-FQEVSTJZSA-N 1 0 408.498 4.486 20 30 HIEDRO CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000491027145 904376677 /nfs/dbraw/zinc/37/66/77/904376677.db2.gz IVVOKTMEUMQVGI-QFIPXVFZSA-N 1 0 405.542 4.086 20 30 HIEDRO Cn1cc(C[NH+]2CCC(CN3CCc4ccccc43)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491076683 904414270 /nfs/dbraw/zinc/41/42/70/904414270.db2.gz KLURLZZUYRABGK-UHFFFAOYSA-N 1 0 411.553 4.233 20 30 HIEDRO COc1ccc([C@H]2CCC[N@@H+]2Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC000491137848 904449619 /nfs/dbraw/zinc/44/96/19/904449619.db2.gz QLAUSWBEUJNJIB-OAQYLSRUSA-N 1 0 402.498 4.313 20 30 HIEDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cc(C#N)ccc2Br)CC1 ZINC000491817392 904700092 /nfs/dbraw/zinc/70/00/92/904700092.db2.gz ONRQOVDONDGNFS-UHFFFAOYSA-N 1 0 406.368 4.181 20 30 HIEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(Cl)c3)[C@H]2C1 ZINC000492123066 904802709 /nfs/dbraw/zinc/80/27/09/904802709.db2.gz VBBDQWZBGYJCRK-RXVVDRJESA-N 1 0 424.932 4.349 20 30 HIEDRO N#Cc1ccc(Br)c(CNc2ccccc2C[NH+]2CCC(CO)CC2)c1 ZINC000492770052 904899866 /nfs/dbraw/zinc/89/98/66/904899866.db2.gz KVILGEPQKMWMIV-UHFFFAOYSA-N 1 0 414.347 4.137 20 30 HIEDRO COc1ccc(C[N@@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1OCCCC#N ZINC000506261230 914869846 /nfs/dbraw/zinc/86/98/46/914869846.db2.gz FDOJOIGUPQKGJH-FQEVSTJZSA-N 1 0 407.514 4.228 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2)cc1 ZINC000493388209 905102725 /nfs/dbraw/zinc/10/27/25/905102725.db2.gz RHEPORJXGVCHFT-URXFXBBRSA-N 1 0 405.542 4.333 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1C ZINC000493409580 905109092 /nfs/dbraw/zinc/10/90/92/905109092.db2.gz AWKWEBWRYOPNSB-HXUWFJFHSA-N 1 0 421.570 4.175 20 30 HIEDRO N#Cc1ccc(CSCC(=O)NCc2ccccc2C[NH+]2CCCCCC2)cc1 ZINC000493905577 905260202 /nfs/dbraw/zinc/26/02/02/905260202.db2.gz ULTRJXCDNILWJX-UHFFFAOYSA-N 1 0 407.583 4.484 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494447424 905730934 /nfs/dbraw/zinc/73/09/34/905730934.db2.gz ZJZSLYMXXDWOTB-RYGJVYDSSA-N 1 0 404.963 4.424 20 30 HIEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494481459 905762801 /nfs/dbraw/zinc/76/28/01/905762801.db2.gz AHHWIYRLMWRPQT-QFBILLFUSA-N 1 0 408.260 4.062 20 30 HIEDRO N#Cc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000494481460 905763914 /nfs/dbraw/zinc/76/39/14/905763914.db2.gz AHHWIYRLMWRPQT-VQIMIIECSA-N 1 0 408.260 4.062 20 30 HIEDRO C[C@@H](c1ccccc1)[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494766507 905963463 /nfs/dbraw/zinc/96/34/63/905963463.db2.gz AAIQAVCIEOANGR-AZUAARDMSA-N 1 0 420.557 4.049 20 30 HIEDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000512487522 921195201 /nfs/dbraw/zinc/19/52/01/921195201.db2.gz VSARCFMFBYZGLK-IAGOWNOFSA-N 1 0 403.592 4.233 20 30 HIEDRO C=C(C)C[N@H+](Cc1cnn(C(C)C)c1)C[C@@H](O)COc1ccc(Br)cc1 ZINC000512557714 921235275 /nfs/dbraw/zinc/23/52/75/921235275.db2.gz WTPVLKOTJYFNSF-LJQANCHMSA-N 1 0 422.367 4.045 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC(=O)Nc2cccc(Br)c2)CC1 ZINC000495428193 906446983 /nfs/dbraw/zinc/44/69/83/906446983.db2.gz WDCOUPOEXVZVRW-UHFFFAOYSA-N 1 0 412.331 4.381 20 30 HIEDRO CS[C@H]1CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C[C@@H]1[NH+](C)C ZINC000495566861 906506488 /nfs/dbraw/zinc/50/64/88/906506488.db2.gz ZWKOUIVQDZMCFP-PXNSSMCTSA-N 1 0 415.946 4.122 20 30 HIEDRO CS[C@@H]1CN(C(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)C[C@@H]1[NH+](C)C ZINC000495695380 906525491 /nfs/dbraw/zinc/52/54/91/906525491.db2.gz CGXWIIFCNRUGDE-AZUAARDMSA-N 1 0 415.946 4.122 20 30 HIEDRO N#Cc1ccc(CN2CCN(C(=O)Nc3cc(C(F)F)ccc3Cl)CC2)cc1 ZINC000497244643 906823795 /nfs/dbraw/zinc/82/37/95/906823795.db2.gz CGOUYVVQKJHQGT-UHFFFAOYSA-N 1 0 404.848 4.499 20 30 HIEDRO C[C@@H](NC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)C1=CC[N@H+](C)CC1 ZINC000512851422 921356938 /nfs/dbraw/zinc/35/69/38/921356938.db2.gz JFMPVFOHQYAPMH-MRXNPFEDSA-N 1 0 408.477 4.048 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(c2ccccc2Cl)CCOCC1)C(C)C ZINC000498367477 907860773 /nfs/dbraw/zinc/86/07/73/907860773.db2.gz MSLNLRZZCSHOKC-NRFANRHFSA-N 1 0 404.982 4.203 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1C ZINC000498372468 907863383 /nfs/dbraw/zinc/86/33/83/907863383.db2.gz IYBBXMDSAWAKQC-QHCPKHFHSA-N 1 0 421.589 4.321 20 30 HIEDRO COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccc(C#N)c(Cl)c3)CC[N@@H+]2C2CC2)c1 ZINC000498531049 908000143 /nfs/dbraw/zinc/00/01/43/908000143.db2.gz YUJOJGSCHXDHDH-SFTDATJTSA-N 1 0 410.905 4.320 20 30 HIEDRO C=CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000498547711 908009815 /nfs/dbraw/zinc/00/98/15/908009815.db2.gz HLIFYTLNNFTERL-RPWUZVMVSA-N 1 0 405.542 4.371 20 30 HIEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)cc2C)C[C@H]1C ZINC000499564679 908842173 /nfs/dbraw/zinc/84/21/73/908842173.db2.gz SXOOGHHVCJBNPF-RTBURBONSA-N 1 0 406.530 4.392 20 30 HIEDRO C[C@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1CCCC1(C#N)CCOCC1 ZINC000499576903 908845007 /nfs/dbraw/zinc/84/50/07/908845007.db2.gz RPAAAQSSANZKPU-LPHOPBHVSA-N 1 0 407.352 4.311 20 30 HIEDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1)c1ccc(Br)cc1 ZINC000499724560 908891026 /nfs/dbraw/zinc/89/10/26/908891026.db2.gz JPASSVFPPVCYCJ-MRXNPFEDSA-N 1 0 414.347 4.015 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@@H](C)[C@@H](C)C(=O)Nc2nnc(CC)s2)cc1Cl ZINC000513047246 921506250 /nfs/dbraw/zinc/50/62/50/921506250.db2.gz QJCKSNFUTRSANL-OLZOCXBDSA-N 1 0 408.955 4.072 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@@H](C)[C@H]3CCOC3)sc2C1 ZINC000500231529 909719429 /nfs/dbraw/zinc/71/94/29/909719429.db2.gz NMGVEZUNMBUFAW-HRCADAONSA-N 1 0 403.592 4.114 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC([NH+]2CCCCC2)CC1 ZINC000500433565 909854281 /nfs/dbraw/zinc/85/42/81/909854281.db2.gz IAOBTMUJCYRHKJ-QGZVFWFLSA-N 1 0 414.619 4.166 20 30 HIEDRO C=CCc1cc(C[NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)cc(OC)c1O ZINC000500903401 910173555 /nfs/dbraw/zinc/17/35/55/910173555.db2.gz YRXQJOQQWWHYEU-SFHVURJKSA-N 1 0 417.347 4.260 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)NCC[NH+]3CCCCCC3)c2)cc1 ZINC000501559464 910666279 /nfs/dbraw/zinc/66/62/79/910666279.db2.gz FOFWCSQKNLETTL-UHFFFAOYSA-N 1 0 406.530 4.329 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(CCC[NH+](C)C)CC1 ZINC000501778197 910833068 /nfs/dbraw/zinc/83/30/68/910833068.db2.gz UDLRUHQVQGODGN-GOSISDBHSA-N 1 0 402.608 4.073 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)NC[C@@H]3CCC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC000502291697 911246945 /nfs/dbraw/zinc/24/69/45/911246945.db2.gz JKAIBVJEBDZBDY-DEOSSOPVSA-N 1 0 400.526 4.022 20 30 HIEDRO N#Cc1ccc(Oc2ccc(C(=O)NC[C@H]3CCC[N@@H+]3Cc3ccccc3)cc2)nc1 ZINC000513260533 921664589 /nfs/dbraw/zinc/66/45/89/921664589.db2.gz GZWUFZSVOVWMIO-JOCHJYFZSA-N 1 0 412.493 4.140 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)CC3CCOCC3)sc2C1 ZINC000502509281 911514443 /nfs/dbraw/zinc/51/44/43/911514443.db2.gz URZRROUNKMKQID-QGZVFWFLSA-N 1 0 417.619 4.458 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)COc1ccccc1C#N)c1ccc(C(F)(F)F)cc1 ZINC000502529719 911532379 /nfs/dbraw/zinc/53/23/79/911532379.db2.gz IKWHCCOYZHTLBX-IBGZPJMESA-N 1 0 419.447 4.155 20 30 HIEDRO C=CCN(Cc1ccccc1)C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000503230203 912210181 /nfs/dbraw/zinc/21/01/81/912210181.db2.gz IHCWTMHXHBIYRA-UHFFFAOYSA-N 1 0 420.601 4.295 20 30 HIEDRO COc1cc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(SC)cc1OC ZINC000506278854 914880237 /nfs/dbraw/zinc/88/02/37/914880237.db2.gz BWPAEYFVKZEXKH-UHFFFAOYSA-N 1 0 411.571 4.005 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c(-c2ccccc2)n1 ZINC000506451722 915051340 /nfs/dbraw/zinc/05/13/40/915051340.db2.gz MAPBJNYNFGYTSI-UHFFFAOYSA-N 1 0 405.933 4.439 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506478303 915082063 /nfs/dbraw/zinc/08/20/63/915082063.db2.gz FZOYPOPWRYSFLO-FGTMMUONSA-N 1 0 414.619 4.022 20 30 HIEDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2)c1ccc(OC)c(OC)c1 ZINC000506640285 915309347 /nfs/dbraw/zinc/30/93/47/915309347.db2.gz WZIWUDVHLFLQSD-DYVFJYSZSA-N 1 0 413.543 4.194 20 30 HIEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](C)c2ccc3n[nH]cc3c2)c1C#N ZINC000513406818 921774999 /nfs/dbraw/zinc/77/49/99/921774999.db2.gz XYEPTUPGRQKWDU-MRXNPFEDSA-N 1 0 412.497 4.131 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3ccc(Sc4ccccn4)o3)CC2)cc1 ZINC000507056520 915845639 /nfs/dbraw/zinc/84/56/39/915845639.db2.gz ZOVHOABQWJMLIM-UHFFFAOYSA-N 1 0 404.539 4.405 20 30 HIEDRO COc1ccccc1[C@@H](CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[NH+]1CCCCC1 ZINC000507167179 915909220 /nfs/dbraw/zinc/90/92/20/915909220.db2.gz JHTPCBGJEAEOIL-JOCHJYFZSA-N 1 0 421.516 4.081 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)C[C@@H]3OCCc4ccccc43)sc2C1 ZINC000507261617 916023790 /nfs/dbraw/zinc/02/37/90/916023790.db2.gz VYRRGWYKGACLON-KKSFZXQISA-N 1 0 423.582 4.319 20 30 HIEDRO COC[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1cccc(C(F)(F)F)c1 ZINC000507450317 916219834 /nfs/dbraw/zinc/21/98/34/916219834.db2.gz PWMCKONGBPPZIY-PMACEKPBSA-N 1 0 417.431 4.050 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000507620284 916378750 /nfs/dbraw/zinc/37/87/50/916378750.db2.gz JWYYBWIDQIKULR-SNCIUUNGSA-N 1 0 418.459 4.439 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]C2CCC(C(=O)N3CCSCC3)CC2)CC1 ZINC000507638907 916396618 /nfs/dbraw/zinc/39/66/18/916396618.db2.gz UTSOEYILCYIPLY-UHFFFAOYSA-N 1 0 411.615 4.114 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)CC1 ZINC000507654710 916416739 /nfs/dbraw/zinc/41/67/39/916416739.db2.gz WLZYYPKAYAALQN-UHFFFAOYSA-N 1 0 416.569 4.083 20 30 HIEDRO COc1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c(SC)cc1OC ZINC000507724083 916517722 /nfs/dbraw/zinc/51/77/22/916517722.db2.gz INTCNXBHYLOMIQ-UHFFFAOYSA-N 1 0 413.543 4.172 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)COc3c(Cl)cccc3Cl)CC2)cc1 ZINC000507861478 916694633 /nfs/dbraw/zinc/69/46/33/916694633.db2.gz QNPJTNCMTWIPOR-INIZCTEOSA-N 1 0 421.324 4.148 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000508252605 917071226 /nfs/dbraw/zinc/07/12/26/917071226.db2.gz QBFIFUHQXVVIFR-UXHICEINSA-N 1 0 406.486 4.107 20 30 HIEDRO C=CCn1c(-c2ccoc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508474963 917258981 /nfs/dbraw/zinc/25/89/81/917258981.db2.gz WYOFJLXQQGDKBQ-UNMCSNQZSA-N 1 0 403.530 4.215 20 30 HIEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508478699 917263434 /nfs/dbraw/zinc/26/34/34/917263434.db2.gz SRPWHFKIEPCQGM-TZIWHRDSSA-N 1 0 404.562 4.094 20 30 HIEDRO C=CCn1c(-c2ccccc2OC)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508497637 917281618 /nfs/dbraw/zinc/28/16/18/917281618.db2.gz MRZANLIFTFGCAN-NRFANRHFSA-N 1 0 417.557 4.098 20 30 HIEDRO CCOc1cc(C[N@H+](CC)[C@@H](C)c2ccc(C#N)cc2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000508601881 917372404 /nfs/dbraw/zinc/37/24/04/917372404.db2.gz BERUXQIUFRCKDA-OALUTQOASA-N 1 0 423.557 4.396 20 30 HIEDRO C[S@](=O)C[C@H]([NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1)c1ccccc1 ZINC000508652597 917417604 /nfs/dbraw/zinc/41/76/04/917417604.db2.gz ZZFQEVJJRRUAFV-OUTSHDOLSA-N 1 0 404.535 4.347 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508746166 917503735 /nfs/dbraw/zinc/50/37/35/917503735.db2.gz JYBCYJYFVLVZQA-RTWAWAEBSA-N 1 0 411.594 4.389 20 30 HIEDRO C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508813340 917567208 /nfs/dbraw/zinc/56/72/08/917567208.db2.gz ZMFMBANPDNHJGC-INIZCTEOSA-N 1 0 418.383 4.062 20 30 HIEDRO C=CCn1c([C@@H]2CCCO2)nnc1N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000508828359 917581962 /nfs/dbraw/zinc/58/19/62/917581962.db2.gz PMILGVBQPLJOGL-QFIPXVFZSA-N 1 0 421.589 4.341 20 30 HIEDRO C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000508864857 917618541 /nfs/dbraw/zinc/61/85/41/917618541.db2.gz QXGQBAWVEHUKRP-CQSZACIVSA-N 1 0 424.412 4.123 20 30 HIEDRO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508895015 917650569 /nfs/dbraw/zinc/65/05/69/917650569.db2.gz MTCJCSBTPRJIMC-OALUTQOASA-N 1 0 424.549 4.130 20 30 HIEDRO C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000508954817 917711321 /nfs/dbraw/zinc/71/13/21/917711321.db2.gz YNQFHLQQNHYDSS-NZQKXSOJSA-N 1 0 421.589 4.233 20 30 HIEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508956187 917712980 /nfs/dbraw/zinc/71/29/80/917712980.db2.gz NPFJWIUSHFVLOB-RBUKOAKNSA-N 1 0 413.541 4.055 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508956188 917713251 /nfs/dbraw/zinc/71/32/51/917713251.db2.gz NPFJWIUSHFVLOB-RTBURBONSA-N 1 0 413.541 4.055 20 30 HIEDRO C=CCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508999333 917753828 /nfs/dbraw/zinc/75/38/28/917753828.db2.gz VVFDSJZOLAWEHG-ZWKOTPCHSA-N 1 0 417.985 4.426 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)[C@H](C)c2ccccn2)c1C#N ZINC000509084953 917828196 /nfs/dbraw/zinc/82/81/96/917828196.db2.gz QAAVDZUIVVGAGX-GOSISDBHSA-N 1 0 405.502 4.035 20 30 HIEDRO COC(=O)C[C@](C)([NH2+]CCC(C#N)(c1ccccc1)c1ccccc1)c1ccccn1 ZINC000509124359 917857178 /nfs/dbraw/zinc/85/71/78/917857178.db2.gz MTDYYEGONDNMAQ-VWLOTQADSA-N 1 0 413.521 4.349 20 30 HIEDRO N#CCCCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1 ZINC000509372078 918037856 /nfs/dbraw/zinc/03/78/56/918037856.db2.gz LUQLZJYJXXFVPM-GOSISDBHSA-N 1 0 412.921 4.268 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3C[C@H](C)[N@H+](C)C[C@H]3C)sc2C1 ZINC000509462986 918112837 /nfs/dbraw/zinc/11/28/37/918112837.db2.gz JPBWTWKZAIEUHI-GVDBMIGSSA-N 1 0 416.635 4.124 20 30 HIEDRO CC(C)(C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)c1cc(F)cc(C#N)c1 ZINC000509817754 918420826 /nfs/dbraw/zinc/42/08/26/918420826.db2.gz DTDZNRZKTWTQKV-UHFFFAOYSA-N 1 0 411.546 4.205 20 30 HIEDRO Cc1c(C#N)cccc1C(=O)N(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC(F)(F)F ZINC000510056536 918625794 /nfs/dbraw/zinc/62/57/94/918625794.db2.gz PIOVETOPPCVCKN-LJQANCHMSA-N 1 0 415.459 4.393 20 30 HIEDRO CC[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc(OC)c(OC)c1 ZINC000510240724 918778603 /nfs/dbraw/zinc/77/86/03/918778603.db2.gz MITCAJUEFKRNRB-LJQANCHMSA-N 1 0 415.921 4.345 20 30 HIEDRO C=CCOc1ccc(C[NH+]2CCC(Oc3c(OC)cccc3OC)CC2)cc1OC ZINC000510447633 918904584 /nfs/dbraw/zinc/90/45/84/918904584.db2.gz LXKYYIWRAXZUAS-UHFFFAOYSA-N 1 0 413.514 4.321 20 30 HIEDRO Cc1ccc([C@@H](CNC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)[NH+]2CCCC2)o1 ZINC000510456269 918910406 /nfs/dbraw/zinc/91/04/06/918910406.db2.gz AOYFRTYRFWITLZ-JOCHJYFZSA-N 1 0 408.546 4.464 20 30 HIEDRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(C#N)cc2)C1 ZINC000510645242 919086838 /nfs/dbraw/zinc/08/68/38/919086838.db2.gz HFXMNXQMNVYOMY-LEWJYISDSA-N 1 0 418.541 4.108 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000510887229 919383512 /nfs/dbraw/zinc/38/35/12/919383512.db2.gz JGQDXQXXQUOYIU-QFIPXVFZSA-N 1 0 422.529 4.314 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000511025687 919598161 /nfs/dbraw/zinc/59/81/61/919598161.db2.gz FIAMKKDXUWHHDA-TXTKFYIRSA-N 1 0 414.594 4.120 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC=C(c3ccco3)C2)c1C#N ZINC000511120654 919733242 /nfs/dbraw/zinc/73/32/42/919733242.db2.gz CPSAVZUTXXTPTG-UHFFFAOYSA-N 1 0 418.497 4.329 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1nc(-c2cccc(C)c2)no1 ZINC000511144003 919763897 /nfs/dbraw/zinc/76/38/97/919763897.db2.gz PNCXVNXLJPBAHO-UHFFFAOYSA-N 1 0 424.574 4.143 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cc1)C(C)C ZINC000511718530 920383854 /nfs/dbraw/zinc/38/38/54/920383854.db2.gz BUGRQCHLBGASRP-UHFFFAOYSA-N 1 0 405.477 4.366 20 30 HIEDRO N#Cc1ccc(SCC(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000511841853 920555310 /nfs/dbraw/zinc/55/53/10/920555310.db2.gz DSTQYSUEEVHFRG-SFHVURJKSA-N 1 0 419.472 4.060 20 30 HIEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000511873906 920606126 /nfs/dbraw/zinc/60/61/26/920606126.db2.gz CTXAOYADMPPUKT-PMACEKPBSA-N 1 0 422.472 4.277 20 30 HIEDRO COc1cc(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)ccc1OCc1cccc(C#N)c1 ZINC000512229481 920982222 /nfs/dbraw/zinc/98/22/22/920982222.db2.gz RYKWZERNWKNOOQ-XXBNENTESA-N 1 0 405.542 4.204 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CCC[C@H]2C[NH+]2CCCC2)cc1OC ZINC000512294575 921050112 /nfs/dbraw/zinc/05/01/12/921050112.db2.gz YCEMSIZSBKTSJW-KRWDZBQOSA-N 1 0 409.368 4.083 20 30 HIEDRO COc1ccc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)cc1OCCCC#N ZINC000512359488 921102956 /nfs/dbraw/zinc/10/29/56/921102956.db2.gz HKBMJPZDMOZNMZ-UHFFFAOYSA-N 1 0 413.562 4.039 20 30 HIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[N@@H+](C)C2Cc3ccccc3C2)c1C#N ZINC000513443190 921810605 /nfs/dbraw/zinc/81/06/05/921810605.db2.gz MHBBRAYZCQDKGH-UHFFFAOYSA-N 1 0 412.537 4.063 20 30 HIEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccco1 ZINC000513490088 921842445 /nfs/dbraw/zinc/84/24/45/921842445.db2.gz LXSGNUNKLBETQQ-BEFAXECRSA-N 1 0 423.542 4.449 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000513684072 922005900 /nfs/dbraw/zinc/00/59/00/922005900.db2.gz OQLFQTAYUAINQL-OAQYLSRUSA-N 1 0 413.525 4.055 20 30 HIEDRO CCC1(CNC(=O)C2(c3cccc(C#N)c3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000514055276 922377871 /nfs/dbraw/zinc/37/78/71/922377871.db2.gz GJOMUWKEEOTCLM-UHFFFAOYSA-N 1 0 401.554 4.398 20 30 HIEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)cc1 ZINC000514091960 922413927 /nfs/dbraw/zinc/41/39/27/922413927.db2.gz AGERCOIVURMBEG-KRWDZBQOSA-N 1 0 420.509 4.066 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCSc4ccc(F)cc43)CC2)cc1 ZINC000514579799 922716464 /nfs/dbraw/zinc/71/64/64/922716464.db2.gz LEMZMYLCEITUPB-NRFANRHFSA-N 1 0 424.545 4.152 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)C(=O)N(CCC#N)c1ccccc1 ZINC000514820654 922813859 /nfs/dbraw/zinc/81/38/59/922813859.db2.gz VBYPGMVTDRFAOC-AUSIDOKSSA-N 1 0 403.526 4.006 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[N@H+](CC3CCCCC3)CC2)c1 ZINC000515743710 923317622 /nfs/dbraw/zinc/31/76/22/923317622.db2.gz ZMIBRDVPUYOVOT-UHFFFAOYSA-N 1 0 410.606 4.138 20 30 HIEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000516001206 923493258 /nfs/dbraw/zinc/49/32/58/923493258.db2.gz ZXRPUSRTKQVBNB-DEOSSOPVSA-N 1 0 413.521 4.040 20 30 HIEDRO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000516349065 923682572 /nfs/dbraw/zinc/68/25/72/923682572.db2.gz ASRUVKOUZYQHGK-UHFFFAOYSA-N 1 0 405.493 4.043 20 30 HIEDRO COc1ccc(Cl)cc1NC(=O)CC[NH2+]Cc1ccc(C#N)cc1C(F)(F)F ZINC000516441710 923735212 /nfs/dbraw/zinc/73/52/12/923735212.db2.gz BBTAXVQXHHWFHW-UHFFFAOYSA-N 1 0 411.811 4.357 20 30 HIEDRO COc1ccc2cc(CN(C)C(=O)[C@H](C)[NH2+][C@H](C)c3ccc(C#N)cc3)ccc2c1 ZINC000516494438 923758589 /nfs/dbraw/zinc/75/85/89/923758589.db2.gz MZJLCBQBRLRQQB-MSOLQXFVSA-N 1 0 401.510 4.418 20 30 HIEDRO C[N@H+](CCNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)Cc1ccc(F)cc1 ZINC000516690293 923846909 /nfs/dbraw/zinc/84/69/09/923846909.db2.gz GXQVDPYDIWEIIU-UHFFFAOYSA-N 1 0 419.460 4.138 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000517104036 923999214 /nfs/dbraw/zinc/99/92/14/923999214.db2.gz OYOYTJAILWBFQF-HXUWFJFHSA-N 1 0 420.513 4.451 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000517104025 923999339 /nfs/dbraw/zinc/99/93/39/923999339.db2.gz OYOYTJAILWBFQF-FQEVSTJZSA-N 1 0 420.513 4.451 20 30 HIEDRO C=CC[N@H+](Cc1ccc(Br)s1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000517530134 924247960 /nfs/dbraw/zinc/24/79/60/924247960.db2.gz OCAPLLUZBAYPGE-ZDUSSCGKSA-N 1 0 404.337 4.236 20 30 HIEDRO C=CCc1ccc(OCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c(OC)c1 ZINC000517651072 926759353 /nfs/dbraw/zinc/75/93/53/926759353.db2.gz DYBXIGXMJAUYTI-NOTZXAQLSA-N 1 0 420.553 4.114 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(F)c(NC(=O)c3ccoc3C)c2)CC1 ZINC000518514230 927320085 /nfs/dbraw/zinc/32/00/85/927320085.db2.gz IKVJSNLEOQMDRE-UHFFFAOYSA-N 1 0 414.481 4.141 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CC1 ZINC000518531014 927331208 /nfs/dbraw/zinc/33/12/08/927331208.db2.gz BVVMPDDCBBNNHM-LJQANCHMSA-N 1 0 414.550 4.276 20 30 HIEDRO C[N@H+](CCCCCc1cc(-c2ccccc2)n[nH]1)CC(=O)NC1(C#N)CCCCC1 ZINC000518863361 927571630 /nfs/dbraw/zinc/57/16/30/927571630.db2.gz FUKMAKUMVVTMMN-UHFFFAOYSA-N 1 0 407.562 4.064 20 30 HIEDRO CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000519202378 927825167 /nfs/dbraw/zinc/82/51/67/927825167.db2.gz OFSSQFRRRFYDLX-OAQYLSRUSA-N 1 0 408.542 4.139 20 30 HIEDRO CCC[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)C(=O)N1CCc2sccc2C1 ZINC000520219826 928396889 /nfs/dbraw/zinc/39/68/89/928396889.db2.gz MYWUWRGDRWBOJC-OAQYLSRUSA-N 1 0 411.571 4.274 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000520941254 928884019 /nfs/dbraw/zinc/88/40/19/928884019.db2.gz HILWKBROEOHXGJ-QGZVFWFLSA-N 1 0 412.559 4.343 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000521080800 928978951 /nfs/dbraw/zinc/97/89/51/928978951.db2.gz MVBCSXXAGPKCNW-XMMPIXPASA-N 1 0 402.542 4.093 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000521082520 928980950 /nfs/dbraw/zinc/98/09/50/928980950.db2.gz GQLNNQYWJOVJCE-OALUTQOASA-N 1 0 402.539 4.051 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)CN(Cc2ccco2)c2cccc(Cl)c2)CC1 ZINC000521144643 929021876 /nfs/dbraw/zinc/02/18/76/929021876.db2.gz VXKCCDJRHJPEKK-UHFFFAOYSA-N 1 0 401.938 4.096 20 30 HIEDRO O=C(NCC#Cc1ccccc1)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000521347586 929166927 /nfs/dbraw/zinc/16/69/27/929166927.db2.gz KIHYUHMHIIRDIV-UHFFFAOYSA-N 1 0 403.570 4.072 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@H](C)c1cc(C)ccc1C ZINC000524596645 929706327 /nfs/dbraw/zinc/70/63/27/929706327.db2.gz NMWIIALPHAHTIY-HXUWFJFHSA-N 1 0 410.562 4.261 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2nc3ccccc3n2C)c2ccccc2)CC1 ZINC000524668932 929782845 /nfs/dbraw/zinc/78/28/45/929782845.db2.gz FIPQCKULOBHJND-HSZRJFAPSA-N 1 0 417.557 4.002 20 30 HIEDRO C=CCc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(OC)c1OC ZINC000524868241 929865183 /nfs/dbraw/zinc/86/51/83/929865183.db2.gz JXKMZDRCTFUJCR-IBGZPJMESA-N 1 0 408.542 4.169 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000524895332 929876400 /nfs/dbraw/zinc/87/64/00/929876400.db2.gz VFLYAEDLGMSINB-FQEVSTJZSA-N 1 0 424.976 4.183 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cc(-c3nc4cc(F)ccc4n3C)ccc2C)CC1 ZINC000524991327 929956984 /nfs/dbraw/zinc/95/69/84/929956984.db2.gz HHSNWRCFDNRIBC-UHFFFAOYSA-N 1 0 421.520 4.460 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1OC(C)C ZINC000525761014 930434200 /nfs/dbraw/zinc/43/42/00/930434200.db2.gz JOXSVTVJHXIIBU-RTBURBONSA-N 1 0 409.530 4.468 20 30 HIEDRO CCCc1c(NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cnn1-c1cccc(C#N)c1 ZINC000525890637 930477685 /nfs/dbraw/zinc/47/76/85/930477685.db2.gz WVVYGCOQERODJT-OAQYLSRUSA-N 1 0 420.561 4.179 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cc2ccccc2s1 ZINC000527484729 930666927 /nfs/dbraw/zinc/66/69/27/930666927.db2.gz SRUDHFRJTUEFQA-OAHLLOKOSA-N 1 0 401.495 4.248 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(Cl)cc1 ZINC000530831124 930834361 /nfs/dbraw/zinc/83/43/61/930834361.db2.gz RHGQGUCBGCVOAD-NRFANRHFSA-N 1 0 423.900 4.416 20 30 HIEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C#N)c1 ZINC000530910935 930856926 /nfs/dbraw/zinc/85/69/26/930856926.db2.gz GWFPWCYSTNLUOC-UHFFFAOYSA-N 1 0 404.341 4.388 20 30 HIEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1sc(-c2ccccc2Br)nc1C ZINC000531553692 931101366 /nfs/dbraw/zinc/10/13/66/931101366.db2.gz LPJHPJMJPNQLMU-WCQYABFASA-N 1 0 408.365 4.222 20 30 HIEDRO Cc1ccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c(O[C@H]2CCOC2)c1 ZINC000531564450 931104167 /nfs/dbraw/zinc/10/41/67/931104167.db2.gz IGGDKSTTXABCLT-QHCPKHFHSA-N 1 0 416.525 4.230 20 30 HIEDRO COc1ccc(OC(F)F)c(C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000531789838 931198930 /nfs/dbraw/zinc/19/89/30/931198930.db2.gz UOLDQRRGLUPCAF-UHFFFAOYSA-N 1 0 412.440 4.364 20 30 HIEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@H+](C)CCCOc1ccc(F)cc1 ZINC000532490403 931459025 /nfs/dbraw/zinc/45/90/25/931459025.db2.gz WIWIEDOMGQTIBI-KRWDZBQOSA-N 1 0 401.457 4.001 20 30 HIEDRO N#Cc1cccc(OC2CC[NH+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000532607049 931552862 /nfs/dbraw/zinc/55/28/62/931552862.db2.gz IURJVYNTWNMZHJ-LJQANCHMSA-N 1 0 404.432 4.024 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)CN2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)ccc1Cl ZINC000532700704 931594676 /nfs/dbraw/zinc/59/46/76/931594676.db2.gz ZBSLNTNAHXTRDV-SBHAEUEKSA-N 1 0 416.997 4.232 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000532709187 931600488 /nfs/dbraw/zinc/60/04/88/931600488.db2.gz RQDHWTVJHCLDQW-SFHVURJKSA-N 1 0 409.555 4.315 20 30 HIEDRO COCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1cccs1 ZINC000532893509 931682232 /nfs/dbraw/zinc/68/22/32/931682232.db2.gz WZYCDKKWNTYOTJ-UHFFFAOYSA-N 1 0 403.573 4.037 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000532930429 931702024 /nfs/dbraw/zinc/70/20/24/931702024.db2.gz DGMHFJVDHQTXQZ-KRWDZBQOSA-N 1 0 416.635 4.269 20 30 HIEDRO C[C@H](c1ccncc1)N1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000533038633 931748577 /nfs/dbraw/zinc/74/85/77/931748577.db2.gz GARNMSLUDNRBHS-HXUWFJFHSA-N 1 0 414.557 4.174 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000533059706 931757561 /nfs/dbraw/zinc/75/75/61/931757561.db2.gz AJBAMDIOJALYCX-GOSISDBHSA-N 1 0 409.555 4.172 20 30 HIEDRO CN(C)c1cccc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000533291084 931829722 /nfs/dbraw/zinc/82/97/22/931829722.db2.gz AESDNNLFQWWLGL-FQEVSTJZSA-N 1 0 408.571 4.340 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000533375453 931852662 /nfs/dbraw/zinc/85/26/62/931852662.db2.gz ZHICNSFZXZLGIM-WOJBJXKFSA-N 1 0 402.583 4.146 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000533408916 931861188 /nfs/dbraw/zinc/86/11/88/931861188.db2.gz MEJSNWGGQADHOA-ZWKOTPCHSA-N 1 0 414.619 4.023 20 30 HIEDRO CC1CCC([NH+]2CCN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)CC1 ZINC000533436178 931868472 /nfs/dbraw/zinc/86/84/72/931868472.db2.gz WZFXOKXHVIKZHN-UHFFFAOYSA-N 1 0 414.619 4.023 20 30 HIEDRO COc1ccc2[nH]cc(C3=CC[N@H+](CCOc4ccc(C#N)cc4OC)CC3)c2c1 ZINC000533487072 931882651 /nfs/dbraw/zinc/88/26/51/931882651.db2.gz SOJISRYLHKHCDE-UHFFFAOYSA-N 1 0 403.482 4.225 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)c(F)c1 ZINC000533509187 931888531 /nfs/dbraw/zinc/88/85/31/931888531.db2.gz OJRHZAAPQKBUFQ-UHFFFAOYSA-N 1 0 416.294 4.311 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000533512506 931890128 /nfs/dbraw/zinc/89/01/28/931890128.db2.gz XTTHTRFITQSBTH-ZRNYENFQSA-N 1 0 414.619 4.214 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)c1 ZINC000533524911 931894176 /nfs/dbraw/zinc/89/41/76/931894176.db2.gz UKKBDVYTRHOAIW-UHFFFAOYSA-N 1 0 415.541 4.306 20 30 HIEDRO C[NH+]1CCC([C@H]2CCN(C(=O)c3ccc(Oc4ccc(CC#N)cc4)cc3)C2)CC1 ZINC000533699666 931976311 /nfs/dbraw/zinc/97/63/11/931976311.db2.gz QXKLGGMMGFKYCG-QFIPXVFZSA-N 1 0 403.526 4.349 20 30 HIEDRO C[NH+](C)[C@@]1(CNC(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)CCSC1 ZINC000534152009 932303691 /nfs/dbraw/zinc/30/36/91/932303691.db2.gz YWZZQTKOZYVZQX-OAQYLSRUSA-N 1 0 415.946 4.171 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2cccc(OCc3cccc(OC)c3)c2C)CC1 ZINC000534484486 932523266 /nfs/dbraw/zinc/52/32/66/932523266.db2.gz QIFPHVZHBBFJEH-UHFFFAOYSA-N 1 0 409.530 4.355 20 30 HIEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](Sc2ccccc2F)c2ccccc2)c1C#N ZINC000534795131 932775618 /nfs/dbraw/zinc/77/56/18/932775618.db2.gz ZTZRNZXTWGRZTO-HXUWFJFHSA-N 1 0 423.517 4.045 20 30 HIEDRO C[N@@H+]1CC[C@@H](NC(=O)c2cccc(OCc3ccccc3C#N)c2)[C@H]1c1ccccc1 ZINC000535466566 933156719 /nfs/dbraw/zinc/15/67/19/933156719.db2.gz SZRHWBGCYOQDOT-JWQCQUIFSA-N 1 0 411.505 4.312 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)c1C#N ZINC000535818950 933413119 /nfs/dbraw/zinc/41/31/19/933413119.db2.gz NOOJICLMDGYVFI-UHFFFAOYSA-N 1 0 406.555 4.443 20 30 HIEDRO CC(C)(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000535850050 933431395 /nfs/dbraw/zinc/43/13/95/933431395.db2.gz FDQFWSHRYLLDGF-IBGZPJMESA-N 1 0 408.546 4.408 20 30 HIEDRO N#CC1(c2ccccc2)CCC(Nc2ccccc2C[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000536103998 933656146 /nfs/dbraw/zinc/65/61/46/933656146.db2.gz UQJMJTZMCQCLBD-ZMWWRJPQSA-N 1 0 416.569 4.200 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H](c2ccccc2)C2CC2)c1C#N ZINC000537288399 933698420 /nfs/dbraw/zinc/69/84/20/933698420.db2.gz WXNJIQLJOWRWOO-HSZRJFAPSA-N 1 0 402.498 4.297 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]C[C@@H]3CCCN(Cc4cccs4)C3)CC2)cc1 ZINC000537293878 933701008 /nfs/dbraw/zinc/70/10/08/933701008.db2.gz KMEYUKJPFXVXRD-QFIPXVFZSA-N 1 0 408.615 4.086 20 30 HIEDRO C[C@@H]([NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1)c1ccc(C#N)c(F)c1 ZINC000537407608 933762044 /nfs/dbraw/zinc/76/20/44/933762044.db2.gz RZTHSQHLWQIQNR-MRXNPFEDSA-N 1 0 403.461 4.265 20 30 HIEDRO C=CC[N@@H+](Cc1cc(OC)ccc1OC(F)F)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000537629400 938340681 /nfs/dbraw/zinc/34/06/81/938340681.db2.gz FMZNGFFGGQSERN-OAHLLOKOSA-N 1 0 415.444 4.022 20 30 HIEDRO COCC[N@H+](Cc1ccc(C#N)cc1)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000537636740 938342540 /nfs/dbraw/zinc/34/25/40/938342540.db2.gz QCBQNAXQQQPKLY-UHFFFAOYSA-N 1 0 414.431 4.411 20 30 HIEDRO CN(CCC#N)C(=O)CC[NH2+]C1(Cc2ccc(Br)cc2)CCCCC1 ZINC000537850797 938390295 /nfs/dbraw/zinc/39/02/95/938390295.db2.gz FCBAYFBZQAFHML-UHFFFAOYSA-N 1 0 406.368 4.046 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCN(CCCc3ccccc3)C2=O)CC1 ZINC000538017380 938463304 /nfs/dbraw/zinc/46/33/04/938463304.db2.gz DNINSWZDIKBJNF-QWJQGLKASA-N 1 0 401.554 4.214 20 30 HIEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000538113282 938505372 /nfs/dbraw/zinc/50/53/72/938505372.db2.gz CSHFLPYJNUGYMG-SFHVURJKSA-N 1 0 419.550 4.326 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1C#N ZINC000538175602 938536514 /nfs/dbraw/zinc/53/65/14/938536514.db2.gz NHRRTOZMJZOUEH-HNNXBMFYSA-N 1 0 409.490 4.289 20 30 HIEDRO N#Cc1c(NC(=O)C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)sc2c1CCCCC2 ZINC000538186580 938543277 /nfs/dbraw/zinc/54/32/77/938543277.db2.gz SXONFWQLDLZETJ-JTSKRJEESA-N 1 0 409.555 4.195 20 30 HIEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)c1C#N ZINC000538275758 938581230 /nfs/dbraw/zinc/58/12/30/938581230.db2.gz KLHMIEOYSMXVJK-QFIPXVFZSA-N 1 0 418.545 4.015 20 30 HIEDRO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1CCCN(Cc2cccc(C(F)(F)F)c2)C1=O ZINC000538467418 938628817 /nfs/dbraw/zinc/62/88/17/938628817.db2.gz FFTRWPFSVDJCES-HXUWFJFHSA-N 1 0 401.432 4.200 20 30 HIEDRO C[C@H]([NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000538507983 938638200 /nfs/dbraw/zinc/63/82/00/938638200.db2.gz PQJYOOAXFDHCIM-BTYIYWSLSA-N 1 0 421.438 4.440 20 30 HIEDRO COc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CCC(Oc3ccccc3C#N)CC2)c1 ZINC000539078391 938796841 /nfs/dbraw/zinc/79/68/41/938796841.db2.gz HMORLDJWCANJBT-FQVISZRSSA-N 1 0 407.514 4.264 20 30 HIEDRO C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000539083503 938798988 /nfs/dbraw/zinc/79/89/88/938798988.db2.gz ZSILGGWBJGQKIB-ZMYZIZRNSA-N 1 0 419.569 4.300 20 30 HIEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1ccc(NS(C)(=O)=O)cc1 ZINC000539214717 938819808 /nfs/dbraw/zinc/81/98/08/938819808.db2.gz VMQXQOVTSHDQGQ-QGZVFWFLSA-N 1 0 405.523 4.448 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+]CCOc2ccc(C#N)cc2OC)cc1Br ZINC000539269492 938830778 /nfs/dbraw/zinc/83/07/78/938830778.db2.gz ABVAPRWVTFPQBF-CYBMUJFWSA-N 1 0 405.292 4.068 20 30 HIEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000539277000 938831930 /nfs/dbraw/zinc/83/19/30/938831930.db2.gz QDNUBEVVECHQPX-XVTZWQNCSA-N 1 0 424.520 4.172 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1cccc(C#N)c1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000539279153 938832568 /nfs/dbraw/zinc/83/25/68/938832568.db2.gz DOYQXRXADIHRTH-INIZCTEOSA-N 1 0 416.456 4.239 20 30 HIEDRO Cc1nc(C(=O)Nc2ccc(C[N@@H+](C[C@H]3CCCCO3)C(C)C)cc2)ccc1C#N ZINC000539321005 938840803 /nfs/dbraw/zinc/84/08/03/938840803.db2.gz YHADUVMYKVNANE-JOCHJYFZSA-N 1 0 406.530 4.294 20 30 HIEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccccc1)[C@H]1CCCc2ccccc21 ZINC000539333187 938843251 /nfs/dbraw/zinc/84/32/51/938843251.db2.gz TZFUDTGVOQZIEH-ZCYQVOJMSA-N 1 0 400.526 4.093 20 30 HIEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000539333184 938843298 /nfs/dbraw/zinc/84/32/98/938843298.db2.gz TZFUDTGVOQZIEH-NOZRDPDXSA-N 1 0 400.526 4.093 20 30 HIEDRO C[C@H]([NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000539490686 938867654 /nfs/dbraw/zinc/86/76/54/938867654.db2.gz HNOKUZGXRRYMEZ-ZSEKCTLFSA-N 1 0 411.889 4.051 20 30 HIEDRO COc1sc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1Br ZINC000539505404 938870202 /nfs/dbraw/zinc/87/02/02/938870202.db2.gz YVPHKRUSSDNUQB-ZDUSSCGKSA-N 1 0 424.339 4.289 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(COC4CCOCC4)cc3)CC2)cc1 ZINC000539507378 938870442 /nfs/dbraw/zinc/87/04/42/938870442.db2.gz MCNFAQBQOQGESS-UHFFFAOYSA-N 1 0 419.569 4.008 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]CCCOc3cccc4cccnc43)CC2)cc1 ZINC000539508874 938870743 /nfs/dbraw/zinc/87/07/43/938870743.db2.gz AXYBCRJDTZFRDW-UHFFFAOYSA-N 1 0 400.526 4.130 20 30 HIEDRO CC(C)Oc1ccccc1[C@@H](C)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000540325358 939194892 /nfs/dbraw/zinc/19/48/92/939194892.db2.gz CUDSQSINRWJHPM-QGZVFWFLSA-N 1 0 418.459 4.311 20 30 HIEDRO CCOc1ccc([C@H]([NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)C(C)C)cc1OCC ZINC000540342337 939200638 /nfs/dbraw/zinc/20/06/38/939200638.db2.gz AFVRZPQWPVDGEJ-JOCHJYFZSA-N 1 0 413.518 4.491 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(OCc2ccccn2)c1 ZINC000540352589 939204434 /nfs/dbraw/zinc/20/44/34/939204434.db2.gz QFTMQHYPUFPKMR-INIZCTEOSA-N 1 0 420.900 4.475 20 30 HIEDRO CC(C)[C@@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1Cl ZINC000540390344 939229115 /nfs/dbraw/zinc/22/91/15/939229115.db2.gz OIHNTSUTEQFKQV-OAQYLSRUSA-N 1 0 407.905 4.323 20 30 HIEDRO C[NH+](C)C1CCN(c2ccc(NC3CCC(C#N)(c4ccccc4)CC3)nc2)CC1 ZINC000540626254 939323204 /nfs/dbraw/zinc/32/32/04/939323204.db2.gz VEGRSYADGYZWNX-UHFFFAOYSA-N 1 0 403.574 4.428 20 30 HIEDRO CN1C(=O)C[C@@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000540628446 939323401 /nfs/dbraw/zinc/32/34/01/939323401.db2.gz PSDGKJNUHZQNEW-IJQSMBPGSA-N 1 0 409.480 4.230 20 30 HIEDRO N#CCC1CC[NH+](CC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)CC1 ZINC000541020176 939432115 /nfs/dbraw/zinc/43/21/15/939432115.db2.gz MPKYKVZOAAMDNI-JOCHJYFZSA-N 1 0 400.526 4.042 20 30 HIEDRO COc1cccc([C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[NH+]2CCCC2)c1 ZINC000541447793 939518939 /nfs/dbraw/zinc/51/89/39/939518939.db2.gz JUOYDXBQDVFZCL-DEOSSOPVSA-N 1 0 418.541 4.078 20 30 HIEDRO CC(C)Oc1c(F)cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1F ZINC000541465979 939526995 /nfs/dbraw/zinc/52/69/95/939526995.db2.gz CALUXLPBHGZBCY-UHFFFAOYSA-N 1 0 416.472 4.219 20 30 HIEDRO CC[C@@H](CO)[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1 ZINC000541589222 939561475 /nfs/dbraw/zinc/56/14/75/939561475.db2.gz BADJTTFZVAYPKS-SFHVURJKSA-N 1 0 411.571 4.100 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000541600760 939565685 /nfs/dbraw/zinc/56/56/85/939565685.db2.gz VFPLUXXMEIXJGQ-AEFFLSMTSA-N 1 0 402.583 4.146 20 30 HIEDRO CC[C@H]([NH2+][C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1c(C)nn(C)c1C ZINC000541602826 939566168 /nfs/dbraw/zinc/56/61/68/939566168.db2.gz AHVIBORMSXGLSX-KDOFPFPSSA-N 1 0 413.591 4.307 20 30 HIEDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)NC3(C#N)CCCCC3)s2)cc1 ZINC000541641400 939582881 /nfs/dbraw/zinc/58/28/81/939582881.db2.gz BKTQBLDXHDOYAW-OAHLLOKOSA-N 1 0 412.559 4.120 20 30 HIEDRO C[C@H](c1cccc(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1)N1CCOCC1 ZINC000542832509 939861849 /nfs/dbraw/zinc/86/18/49/939861849.db2.gz JIFVBHCLTNFTMH-HXUWFJFHSA-N 1 0 404.558 4.028 20 30 HIEDRO COc1ccc2c(c1)C[C@H](C)[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCC3)[C@H]2C ZINC000542880766 939864917 /nfs/dbraw/zinc/86/49/17/939864917.db2.gz HBPIYJUXZPKZTE-GJZGRUSLSA-N 1 0 409.555 4.453 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1nc2c(s1)CCC2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542944747 939883460 /nfs/dbraw/zinc/88/34/60/939883460.db2.gz FLOPPAJKMPYSQM-OAHLLOKOSA-N 1 0 402.523 4.460 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2C[C@H](C)[C@H]3CCCC[C@@H]32)c1C#N ZINC000542976481 939889828 /nfs/dbraw/zinc/88/98/28/939889828.db2.gz ZCRFRXLQXMNHGQ-AQKFKSFVSA-N 1 0 408.546 4.457 20 30 HIEDRO C[C@@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543017161 939895892 /nfs/dbraw/zinc/89/58/92/939895892.db2.gz MRRBPUFYEAKYQT-LJQANCHMSA-N 1 0 420.557 4.038 20 30 HIEDRO CC(C)([C@H](NCC(=O)Nc1sccc1C#N)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000543449819 940066686 /nfs/dbraw/zinc/06/66/86/940066686.db2.gz RTPRCFLEMJXBGO-LJQANCHMSA-N 1 0 418.513 4.042 20 30 HIEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)Nc3oc(C)c(C)c3C#N)s2)cc1 ZINC000543500324 940086765 /nfs/dbraw/zinc/08/67/65/940086765.db2.gz YVXPSEUTMUJULP-ZDUSSCGKSA-N 1 0 424.526 4.498 20 30 HIEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C ZINC000543514163 940091814 /nfs/dbraw/zinc/09/18/14/940091814.db2.gz ZOEUIKVNIHFMJB-XLDJFRKUSA-N 1 0 402.539 4.351 20 30 HIEDRO C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC[N@H+]1C ZINC000543608360 940129183 /nfs/dbraw/zinc/12/91/83/940129183.db2.gz GKQANXPRUYOMFK-CVEARBPZSA-N 1 0 412.921 4.347 20 30 HIEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000543608364 940129312 /nfs/dbraw/zinc/12/93/12/940129312.db2.gz GKQANXPRUYOMFK-HZPDHXFCSA-N 1 0 412.921 4.347 20 30 HIEDRO CN(CCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1)c1cc[nH+]cc1 ZINC000543714370 940168648 /nfs/dbraw/zinc/16/86/48/940168648.db2.gz SFRFACJFMDKSNS-UHFFFAOYSA-N 1 0 404.445 4.136 20 30 HIEDRO C[C@@H]1CN(c2ccccc2NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[C@@H](C)O1 ZINC000543758897 940176632 /nfs/dbraw/zinc/17/66/32/940176632.db2.gz IZKXFHJOOHEEKW-WOJBJXKFSA-N 1 0 404.558 4.248 20 30 HIEDRO C[C@H]1C[C@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CCN1Cc1ccccc1 ZINC000543768272 940180335 /nfs/dbraw/zinc/18/03/35/940180335.db2.gz JDYNCWNRDNCLRN-DAZPURJESA-N 1 0 404.558 4.286 20 30 HIEDRO COCc1ccccc1CNC(=O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543876116 940220845 /nfs/dbraw/zinc/22/08/45/940220845.db2.gz ZJSWDHCXLJGDQC-LJQANCHMSA-N 1 0 413.521 4.339 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543889384 940228253 /nfs/dbraw/zinc/22/82/53/940228253.db2.gz VDHBZSPJPBESJE-MRXNPFEDSA-N 1 0 414.941 4.173 20 30 HIEDRO C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000563816890 945305092 /nfs/dbraw/zinc/30/50/92/945305092.db2.gz WCRPJDCMUASFLJ-LPHOPBHVSA-N 1 0 409.408 4.246 20 30 HIEDRO N#Cc1ccc(-c2ccccc2)nc1SC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000544023625 940302351 /nfs/dbraw/zinc/30/23/51/940302351.db2.gz CLJWKWIKDFDKIX-JOCHJYFZSA-N 1 0 401.535 4.132 20 30 HIEDRO C[C@@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544425120 940423996 /nfs/dbraw/zinc/42/39/96/940423996.db2.gz OLBUTHPDGLFMLO-SJORKVTESA-N 1 0 414.619 4.070 20 30 HIEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c1C#N ZINC000544470004 940445114 /nfs/dbraw/zinc/44/51/14/940445114.db2.gz VINLJJJUCAAPJX-KRWDZBQOSA-N 1 0 404.518 4.033 20 30 HIEDRO CCC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 ZINC000544530305 940472790 /nfs/dbraw/zinc/47/27/90/940472790.db2.gz NKZQYRKNMPPQSF-MOPGFXCFSA-N 1 0 412.578 4.011 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H](C)[C@H]2COc3ccccc32)c1C#N ZINC000544531917 940473466 /nfs/dbraw/zinc/47/34/66/940473466.db2.gz RDSOLLSVIANIPH-HRAATJIYSA-N 1 0 406.530 4.185 20 30 HIEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000544894625 940522687 /nfs/dbraw/zinc/52/26/87/940522687.db2.gz TZEMJCGBSLEGTB-LJQANCHMSA-N 1 0 422.598 4.033 20 30 HIEDRO Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)c3ccc(C#N)c(F)c3)nc12 ZINC000545520749 940572992 /nfs/dbraw/zinc/57/29/92/940572992.db2.gz RORKDHJPXXFXPP-ZDUSSCGKSA-N 1 0 401.283 4.309 20 30 HIEDRO CC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCOC(C)(C)C1 ZINC000564007882 945347741 /nfs/dbraw/zinc/34/77/41/945347741.db2.gz QWWMUCWRWPVVLQ-INIZCTEOSA-N 1 0 403.592 4.497 20 30 HIEDRO Cc1cc(-c2nc(-c3ccccc3C[NH+]3CCCC3)no2)nn1-c1cccc(C#N)c1 ZINC000546941459 940920437 /nfs/dbraw/zinc/92/04/37/940920437.db2.gz NWFNRYMYQSNVJD-UHFFFAOYSA-N 1 0 410.481 4.365 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@@H](C)C(=O)C1(c2ccccc2)CC1 ZINC000564049013 945362477 /nfs/dbraw/zinc/36/24/77/945362477.db2.gz FBPMRLYBJPHEEY-IBGZPJMESA-N 1 0 424.614 4.274 20 30 HIEDRO CC(C)N1CC[C@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000548636820 941116894 /nfs/dbraw/zinc/11/68/94/941116894.db2.gz LGAYFJRDHRRORB-PMACEKPBSA-N 1 0 403.860 4.444 20 30 HIEDRO CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000549042594 941147354 /nfs/dbraw/zinc/14/73/54/941147354.db2.gz IKEOGAWJLWJYJB-UHFFFAOYSA-N 1 0 408.594 4.421 20 30 HIEDRO Cc1sc(NC(=O)CN[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(C#N)c1C ZINC000549164192 941167461 /nfs/dbraw/zinc/16/74/61/941167461.db2.gz FHBLHSHYZHITJR-HXUWFJFHSA-N 1 0 410.587 4.065 20 30 HIEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000549655237 941203123 /nfs/dbraw/zinc/20/31/23/941203123.db2.gz QCXMNEUIGUJSFB-FQEVSTJZSA-N 1 0 416.573 4.382 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000549698096 941204977 /nfs/dbraw/zinc/20/49/77/941204977.db2.gz ASGPPERSLBTEEN-RBUKOAKNSA-N 1 0 415.557 4.301 20 30 HIEDRO C[C@@H]([NH2+]C1(Cc2ccc(F)cc2)CCOCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000549785690 941207413 /nfs/dbraw/zinc/20/74/13/941207413.db2.gz DFUNWZRCPINJIC-OAHLLOKOSA-N 1 0 415.896 4.059 20 30 HIEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc2c1C[N@H+](CCC(C)C)C2 ZINC000551651251 941518848 /nfs/dbraw/zinc/51/88/48/941518848.db2.gz XWRCDHSSHWCXCM-UHFFFAOYSA-N 1 0 407.562 4.347 20 30 HIEDRO N#CCCN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F)c1ccc(F)cc1 ZINC000552012147 941568762 /nfs/dbraw/zinc/56/87/62/941568762.db2.gz SGQYUUDUWXJFKU-FQEVSTJZSA-N 1 0 401.432 4.230 20 30 HIEDRO C=CCC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccco1 ZINC000552253443 941614453 /nfs/dbraw/zinc/61/44/53/941614453.db2.gz DBAUWLYFUWTSBW-GHTZIAJQSA-N 1 0 402.560 4.497 20 30 HIEDRO CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)Nc1cc(C#N)cn1C(C)(C)C ZINC000552649302 941729763 /nfs/dbraw/zinc/72/97/63/941729763.db2.gz QPAIZCWAIQFXBP-UHFFFAOYSA-N 1 0 408.550 4.280 20 30 HIEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cccc(COc2ccc(C#N)cc2)c1 ZINC000552739650 941749422 /nfs/dbraw/zinc/74/94/22/941749422.db2.gz STGZRJWUSZJMOY-UHFFFAOYSA-N 1 0 417.509 4.324 20 30 HIEDRO CC(C)C[NH+]1CCC(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000552895544 941799702 /nfs/dbraw/zinc/79/97/02/941799702.db2.gz OFWOJJAYVVHQRS-UHFFFAOYSA-N 1 0 416.997 4.055 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000553409211 941880669 /nfs/dbraw/zinc/88/06/69/941880669.db2.gz OUNHCTLEDKAZTG-HZPDHXFCSA-N 1 0 408.571 4.386 20 30 HIEDRO Cc1cc(F)cc2c1ncc(C#N)c2NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000553591687 941915505 /nfs/dbraw/zinc/91/55/05/941915505.db2.gz NUXHBVJWRMAHIQ-UHFFFAOYSA-N 1 0 404.489 4.061 20 30 HIEDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C[C@@H](C)C1 ZINC000553769593 941963369 /nfs/dbraw/zinc/96/33/69/941963369.db2.gz IOLPQJFJDQUKHJ-JKSBSHDWSA-N 1 0 407.489 4.292 20 30 HIEDRO C=CCOc1ccc(CNC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000553901174 941994720 /nfs/dbraw/zinc/99/47/20/941994720.db2.gz LBCQQAUDKZGJAU-UHFFFAOYSA-N 1 0 413.949 4.369 20 30 HIEDRO C[C@@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@@H](c1ccccc1)[NH+](C)C ZINC000554072968 942029691 /nfs/dbraw/zinc/02/96/91/942029691.db2.gz HORASRRYYTUVBD-IERDGZPVSA-N 1 0 419.554 4.418 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000554479790 942157055 /nfs/dbraw/zinc/15/70/55/942157055.db2.gz XBGKRFYXPTVZRS-NRFANRHFSA-N 1 0 413.566 4.372 20 30 HIEDRO COc1cc(C[NH+]2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)ccc1C#N ZINC000554879413 942305811 /nfs/dbraw/zinc/30/58/11/942305811.db2.gz RSKQOXUEWFBTLP-UHFFFAOYSA-N 1 0 420.431 4.035 20 30 HIEDRO CC(C)N1CC[C@@H]([NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555005833 942352327 /nfs/dbraw/zinc/35/23/27/942352327.db2.gz IMZNSPCHJWMIFW-CDYWNXMYSA-N 1 0 422.976 4.035 20 30 HIEDRO C[C@@H]1C[N@@H+](CCC2CCN(Cc3ccc(C#N)cc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000555093440 942383800 /nfs/dbraw/zinc/38/38/00/942383800.db2.gz BXFPBRFGSQJESZ-CALCHBBNSA-N 1 0 409.496 4.288 20 30 HIEDRO C=C(C)[C@H](CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1)OCC ZINC000555161411 942411348 /nfs/dbraw/zinc/41/13/48/942411348.db2.gz HBUQKYGAZUITSY-FQEVSTJZSA-N 1 0 423.395 4.243 20 30 HIEDRO N#Cc1cc2c(nc1NC[C@@H]1C[N@H+](Cc3ccccc3)CC13CCOCC3)CCCC2 ZINC000555231067 942438766 /nfs/dbraw/zinc/43/87/66/942438766.db2.gz UNVOVIIKMNBWMA-HSZRJFAPSA-N 1 0 416.569 4.173 20 30 HIEDRO C=CC[N@H+](Cc1ccc(C)cc1-c1cnn(C)c1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000555335700 942481768 /nfs/dbraw/zinc/48/17/68/942481768.db2.gz WQZXGADJWYRZTM-IBGZPJMESA-N 1 0 413.529 4.120 20 30 HIEDRO COc1cc([C@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)ccc1OCc1ccccc1 ZINC000555527677 942628262 /nfs/dbraw/zinc/62/82/62/942628262.db2.gz LSBAVOZAULICFB-KRWDZBQOSA-N 1 0 413.481 4.039 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]C3CCN(Cc4ccc(F)c(F)c4)CC3)CC2)cc1 ZINC000556862875 942943066 /nfs/dbraw/zinc/94/30/66/942943066.db2.gz GKIPLVJIUFSPKI-UHFFFAOYSA-N 1 0 410.512 4.059 20 30 HIEDRO C[C@@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)Oc1ccccc1Br ZINC000556869503 942944752 /nfs/dbraw/zinc/94/47/52/942944752.db2.gz JHFPUWNRIIVVSN-INIZCTEOSA-N 1 0 414.347 4.347 20 30 HIEDRO CCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)C[C@H]1CCCCO1 ZINC000557376243 943092548 /nfs/dbraw/zinc/09/25/48/943092548.db2.gz GRPLCICTFVYJFF-JOCHJYFZSA-N 1 0 422.573 4.245 20 30 HIEDRO C[NH+]1CCC(Oc2ccc(CNc3ccc(Br)cc3C#N)cc2)CC1 ZINC000557686449 943258392 /nfs/dbraw/zinc/25/83/92/943258392.db2.gz GLQCBHCQHCBKDG-UHFFFAOYSA-N 1 0 400.320 4.406 20 30 HIEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000557769966 943286733 /nfs/dbraw/zinc/28/67/33/943286733.db2.gz HMVPLMRKYLHJHM-UHFFFAOYSA-N 1 0 417.509 4.324 20 30 HIEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cccc(Nc2ccc(C#N)cc2)c1 ZINC000557771486 943286903 /nfs/dbraw/zinc/28/69/03/943286903.db2.gz MTCOVCCQVRUUBG-UHFFFAOYSA-N 1 0 402.498 4.489 20 30 HIEDRO CCc1ccc([C@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[NH+](CC)CC)cc1 ZINC000558349543 943521009 /nfs/dbraw/zinc/52/10/09/943521009.db2.gz AGLOCVMOOHSZOL-RPWUZVMVSA-N 1 0 402.542 4.002 20 30 HIEDRO C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000558676712 943626705 /nfs/dbraw/zinc/62/67/05/943626705.db2.gz XMFRWEBSNJNBCU-UHFFFAOYSA-N 1 0 419.577 4.078 20 30 HIEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)C1 ZINC000558924693 943749046 /nfs/dbraw/zinc/74/90/46/943749046.db2.gz FLRYHEIBGYJMLH-JOCHJYFZSA-N 1 0 414.557 4.033 20 30 HIEDRO CCc1sc(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1Br ZINC000559081183 943829857 /nfs/dbraw/zinc/82/98/57/943829857.db2.gz DKUQSSSKRUFVHV-UHFFFAOYSA-N 1 0 420.376 4.149 20 30 HIEDRO N#Cc1ccc(NC(=O)C[NH2+][C@@H](c2cncc(Br)c2)C2CC2)cc1Cl ZINC000560182637 944189492 /nfs/dbraw/zinc/18/94/92/944189492.db2.gz OAMQBJGTJBDGBK-GOSISDBHSA-N 1 0 419.710 4.049 20 30 HIEDRO Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c(C)c1 ZINC000560915926 944369626 /nfs/dbraw/zinc/36/96/26/944369626.db2.gz GFQGKNGVEGZMBS-KMFTYDHNSA-N 1 0 406.530 4.267 20 30 HIEDRO Cc1ccc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(-c2ccnn2C)c1 ZINC000561013264 944397098 /nfs/dbraw/zinc/39/70/98/944397098.db2.gz HYFOQSQRUKKPHJ-UHFFFAOYSA-N 1 0 413.525 4.118 20 30 HIEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C1 ZINC000561031844 944404123 /nfs/dbraw/zinc/40/41/23/944404123.db2.gz QTLSBGSBZLCMRF-IBGZPJMESA-N 1 0 420.586 4.095 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000561537914 944663445 /nfs/dbraw/zinc/66/34/45/944663445.db2.gz GQLPCTLXEDTGPR-IBGZPJMESA-N 1 0 411.468 4.376 20 30 HIEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000561729105 944767162 /nfs/dbraw/zinc/76/71/62/944767162.db2.gz DLKGDFXZDFHBHF-UHFFFAOYSA-N 1 0 409.530 4.225 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c(C)c1OC ZINC000561928271 944860682 /nfs/dbraw/zinc/86/06/82/944860682.db2.gz CCBUQEFTQFFIKK-IAGOWNOFSA-N 1 0 413.493 4.137 20 30 HIEDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)c(C)c1OC ZINC000561928270 944860820 /nfs/dbraw/zinc/86/08/20/944860820.db2.gz CCBUQEFTQFFIKK-DLBZAZTESA-N 1 0 413.493 4.137 20 30 HIEDRO CC[N@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1)[C@H]1CCOC(C)(C)C1 ZINC000562050296 944912365 /nfs/dbraw/zinc/91/23/65/944912365.db2.gz YHUMQPBRVNZXSM-NRFANRHFSA-N 1 0 422.573 4.243 20 30 HIEDRO N#Cc1ccc(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)c(C(F)(F)F)c1 ZINC000562071548 944921897 /nfs/dbraw/zinc/92/18/97/944921897.db2.gz FHVYWGJXZGHFRN-KRWDZBQOSA-N 1 0 415.394 4.079 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1ccc(F)cc1 ZINC000562098313 944937103 /nfs/dbraw/zinc/93/71/03/944937103.db2.gz XKMFZXFKSRHHGH-QFIPXVFZSA-N 1 0 419.460 4.309 20 30 HIEDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000562097609 944937184 /nfs/dbraw/zinc/93/71/84/944937184.db2.gz OGHAJQQOSLYBCD-SFHVURJKSA-N 1 0 407.518 4.379 20 30 HIEDRO CN(CCC(F)(F)F)[C@H](C[NH2+]Cc1nc(C#N)cs1)c1ccc(Cl)cc1 ZINC000564415777 945566427 /nfs/dbraw/zinc/56/64/27/945566427.db2.gz SPCCKZIZEWFQDI-OAHLLOKOSA-N 1 0 402.873 4.383 20 30 HIEDRO C=CCn1c(CCc2ccco2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000565332451 945813515 /nfs/dbraw/zinc/81/35/15/945813515.db2.gz QSEZDRWBCPIKOR-RBBKRZOGSA-N 1 0 419.573 4.332 20 30 HIEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2noc3cc(F)ccc32)CC1 ZINC000565450417 945833716 /nfs/dbraw/zinc/83/37/16/945833716.db2.gz PPDGJWRYRVRWFF-QGZVFWFLSA-N 1 0 420.488 4.482 20 30 HIEDRO N#Cc1cc(Oc2ccc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2)ccn1 ZINC000565922046 945926327 /nfs/dbraw/zinc/92/63/27/945926327.db2.gz JXSSABRGXUKBQM-FQEVSTJZSA-N 1 0 413.481 4.142 20 30 HIEDRO CCN(c1nnc(-c2cccc(C#N)c2)n1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000565979794 945959118 /nfs/dbraw/zinc/95/91/18/945959118.db2.gz MPWHRGZFGLJENZ-AVRDEDQJSA-N 1 0 400.530 4.016 20 30 HIEDRO CCN(c1nnc(-c2cccc(C#N)c2)n1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000565979795 945959460 /nfs/dbraw/zinc/95/94/60/945959460.db2.gz MPWHRGZFGLJENZ-GCJKJVERSA-N 1 0 400.530 4.016 20 30 HIEDRO C[NH+]1CCC(N(Cc2cc(C#N)cs2)Cc2ccccc2Br)CC1 ZINC000566366072 946009685 /nfs/dbraw/zinc/00/96/85/946009685.db2.gz HVNDZGAZSJZKMY-UHFFFAOYSA-N 1 0 404.377 4.479 20 30 HIEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000566374213 946012775 /nfs/dbraw/zinc/01/27/75/946012775.db2.gz UMUBVEZORNRPAI-SEIRJHJZSA-N 1 0 409.578 4.051 20 30 HIEDRO C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCOCc1ccc(C#N)cc1)c1cc2ccccc2o1 ZINC000566702154 946076030 /nfs/dbraw/zinc/07/60/30/946076030.db2.gz XKBHJNJDROCAPO-QZTJIDSGSA-N 1 0 405.498 4.019 20 30 HIEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)cc2)ccn1 ZINC000567550167 946372797 /nfs/dbraw/zinc/37/27/97/946372797.db2.gz XDGKOJDJEPVCJQ-SFHVURJKSA-N 1 0 405.502 4.085 20 30 HIEDRO C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000568445445 946552019 /nfs/dbraw/zinc/55/20/19/946552019.db2.gz UTELWWFUIJRUHA-UHFFFAOYSA-N 1 0 412.497 4.188 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000568536824 946580252 /nfs/dbraw/zinc/58/02/52/946580252.db2.gz WDVJZNDUVVBKFZ-RBBKRZOGSA-N 1 0 418.589 4.484 20 30 HIEDRO CC[NH+](CC)CCCNC(=O)c1ccc(NCc2cc(C#N)cs2)cc1Cl ZINC000568540595 946582921 /nfs/dbraw/zinc/58/29/21/946582921.db2.gz KJKQKGCHDCTMRH-UHFFFAOYSA-N 1 0 404.967 4.347 20 30 HIEDRO Cc1ccc(C[NH+]2CCN(c3c(C#N)cnc4ccccc43)CC2)c(-c2cnn(C)c2)c1 ZINC000569128301 946818825 /nfs/dbraw/zinc/81/88/25/946818825.db2.gz DFIOENHTFQTBTR-UHFFFAOYSA-N 1 0 422.536 4.138 20 30 HIEDRO COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1)CC3 ZINC000569145801 946822872 /nfs/dbraw/zinc/82/28/72/946822872.db2.gz ZJKKGCGSHUWDIA-JLAWEPINSA-N 1 0 416.525 4.280 20 30 HIEDRO COc1ccc([C@@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)c2ccc(F)cc2)cc1 ZINC000569184730 946835385 /nfs/dbraw/zinc/83/53/85/946835385.db2.gz AIJBMBVUUZWEKF-RDGATRHJSA-N 1 0 420.484 4.019 20 30 HIEDRO N#Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)cnc1C(F)(F)F ZINC000569480692 946878674 /nfs/dbraw/zinc/87/86/74/946878674.db2.gz XPKNUFIQLMAVPE-UHFFFAOYSA-N 1 0 416.447 4.278 20 30 HIEDRO CC(C)Oc1ccc([C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)N(C)C)cc1 ZINC000570240829 947162838 /nfs/dbraw/zinc/16/28/38/947162838.db2.gz AURNADCKVONXRT-DEOSSOPVSA-N 1 0 417.557 4.138 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)Cc2ccc(Br)o2)c1 ZINC000570542551 947281545 /nfs/dbraw/zinc/28/15/45/947281545.db2.gz QQEQTUIVGXDKMW-MRXNPFEDSA-N 1 0 418.335 4.426 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@H](C)Cc2ccccc2C)c1C#N ZINC000571372399 947629719 /nfs/dbraw/zinc/62/97/19/947629719.db2.gz WCJQWAHLRUHSRX-GOSISDBHSA-N 1 0 418.541 4.428 20 30 HIEDRO N#Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3F)CC2)c(C(F)(F)F)c1 ZINC000571571564 947706431 /nfs/dbraw/zinc/70/64/31/947706431.db2.gz OTVAKWVEBHUHCB-UHFFFAOYSA-N 1 0 405.395 4.111 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000572318549 947882729 /nfs/dbraw/zinc/88/27/29/947882729.db2.gz NPKQHNNSTHXRPE-FQEVSTJZSA-N 1 0 400.544 4.015 20 30 HIEDRO CC[NH+]1CCC(CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000572902827 948034348 /nfs/dbraw/zinc/03/43/48/948034348.db2.gz UBMGLMOFYNZWKE-UHFFFAOYSA-N 1 0 406.530 4.185 20 30 HIEDRO C=CCn1c(Cc2ccccn2)nnc1N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000573047552 948069488 /nfs/dbraw/zinc/06/94/88/948069488.db2.gz QBYSFYGEVMEWDR-REWPJTCUSA-N 1 0 416.573 4.112 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000573253450 948122821 /nfs/dbraw/zinc/12/28/21/948122821.db2.gz OCGANIUPFLUGQB-JTSKRJEESA-N 1 0 411.571 4.369 20 30 HIEDRO C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000573251621 948123399 /nfs/dbraw/zinc/12/33/99/948123399.db2.gz VGJPUGFWHAPQOX-UHFFFAOYSA-N 1 0 417.557 4.064 20 30 HIEDRO C=CCOc1c(Br)cc(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1OC ZINC000573288377 948146749 /nfs/dbraw/zinc/14/67/49/948146749.db2.gz YICUAKWEBQUBIV-RDJZCZTQSA-N 1 0 409.368 4.081 20 30 HIEDRO N#CC(CC[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1)(c1ccccc1)c1ccccc1 ZINC000573314725 948155887 /nfs/dbraw/zinc/15/58/87/948155887.db2.gz VGXJDGZRTYUNBQ-DQEYMECFSA-N 1 0 403.570 4.119 20 30 HIEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2)ccn1 ZINC000573410979 948196952 /nfs/dbraw/zinc/19/69/52/948196952.db2.gz POOJVTUFLRZBTH-SBUREZEXSA-N 1 0 417.513 4.226 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000573736284 948285236 /nfs/dbraw/zinc/28/52/36/948285236.db2.gz RDKLCTRUYWVFMY-JOCHJYFZSA-N 1 0 419.569 4.162 20 30 HIEDRO C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)[C@H]1c1ccccc1 ZINC000574006531 948348665 /nfs/dbraw/zinc/34/86/65/948348665.db2.gz SUUNPIRDSQUYRP-XZOQPEGZSA-N 1 0 413.481 4.312 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H]2c2cccc3c2OCCO3)c1C ZINC000574105863 948364995 /nfs/dbraw/zinc/36/49/95/948364995.db2.gz YUBYMMKRBRHKDA-QFIPXVFZSA-N 1 0 419.525 4.158 20 30 HIEDRO CSc1nnc(CCC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)n1CC(C)C ZINC000574442463 948443527 /nfs/dbraw/zinc/44/35/27/948443527.db2.gz LFOYLGGKMOHPEN-UHFFFAOYSA-N 1 0 411.497 4.269 20 30 HIEDRO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3cccc(COc4cccc(C#N)c4)c3)n1)OC2 ZINC000575955017 948801553 /nfs/dbraw/zinc/80/15/53/948801553.db2.gz QXWWSHIVPQFDAT-XUZZJYLKSA-N 1 0 416.481 4.113 20 30 HIEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164627205 719081159 /nfs/dbraw/zinc/08/11/59/719081159.db2.gz PRYRESSUANGVLI-QZTJIDSGSA-N 1 0 402.876 4.252 20 30 HIEDRO Cc1ccc2nc(N3CC[C@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c(C#N)c(Cl)c2c1 ZINC001164729036 720488231 /nfs/dbraw/zinc/48/82/31/720488231.db2.gz QRTXCQCKMFWONZ-SFTDATJTSA-N 1 0 403.917 4.317 20 30 HIEDRO Cc1nc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(C#N)c(C)c1Cl ZINC001164841816 720663570 /nfs/dbraw/zinc/66/35/70/720663570.db2.gz QJYZCFILTWIFMM-FQEVSTJZSA-N 1 0 424.976 4.483 20 30 HIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(C#N)c(Cl)cc3Cl)C[C@@H]21 ZINC001165020610 721829382 /nfs/dbraw/zinc/82/93/82/721829382.db2.gz CTQHISDORWMBTO-DKICVRJWSA-N 1 0 416.356 4.392 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(Br)s1 ZINC000435967839 861229725 /nfs/dbraw/zinc/22/97/25/861229725.db2.gz BKEVAJXRHJCXKU-WFASDCNBSA-N 1 0 404.333 4.228 20 30 HIEDRO C=CCn1c(SCCC[NH+]2CCCC2)nnc1-c1ccc(Br)cc1 ZINC000436119841 861405383 /nfs/dbraw/zinc/40/53/83/861405383.db2.gz DJVJEJBKCVARRY-UHFFFAOYSA-N 1 0 407.381 4.472 20 30 HIEDRO N#Cc1c(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)sc2c1CCCCC2 ZINC000007588812 845367908 /nfs/dbraw/zinc/36/79/08/845367908.db2.gz YLLFVPAQJNRTDO-UHFFFAOYSA-N 1 0 408.571 4.039 20 30 HIEDRO Cc1ccc(C)c(C(=O)C(C(=S)Nc2ccc3c(c2)OCCO3)[n+]2ccccc2)c1 ZINC000010179789 845627142 /nfs/dbraw/zinc/62/71/42/845627142.db2.gz AFANENKHRSXWET-UHFFFAOYSA-O 1 0 419.526 4.413 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1F ZINC000436310612 861615968 /nfs/dbraw/zinc/61/59/68/861615968.db2.gz RSBOQRSEJQIIST-USCONSEESA-N 1 0 421.509 4.029 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=S)Nc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000017517680 846255553 /nfs/dbraw/zinc/25/55/53/846255553.db2.gz KNMNSWIIYLMWJK-UHFFFAOYSA-N 1 0 418.488 4.482 20 30 HIEDRO C[N@H+](CCOc1ccc(Cl)cc1)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000022198904 846544913 /nfs/dbraw/zinc/54/49/13/846544913.db2.gz BYQADJMWAKORLM-UHFFFAOYSA-N 1 0 403.935 4.101 20 30 HIEDRO CCNC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022686272 846602680 /nfs/dbraw/zinc/60/26/80/846602680.db2.gz DUDRUHHLUWGJGO-UHFFFAOYSA-O 1 0 420.514 4.021 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1cccc(Br)c1)[n+]1ccc(CC)cc1 ZINC000022796013 846621698 /nfs/dbraw/zinc/62/16/98/846621698.db2.gz MROAXUPKGLRKHC-UHFFFAOYSA-O 1 0 418.380 4.404 20 30 HIEDRO CCCNC(=S)C(C(=O)c1cccc(Br)c1)[n+]1ccccc1CC ZINC000022804056 846622546 /nfs/dbraw/zinc/62/25/46/846622546.db2.gz MZTZEACLJNBHQS-UHFFFAOYSA-O 1 0 406.369 4.237 20 30 HIEDRO C=CC[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)Cc1ccc(Cl)s1 ZINC000026250842 847112006 /nfs/dbraw/zinc/11/20/06/847112006.db2.gz CLMXFFRSQQXUOM-UHFFFAOYSA-N 1 0 409.895 4.335 20 30 HIEDRO N#CCCn1cc(C[NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)c(-c2ccccc2)n1 ZINC000436407880 861757014 /nfs/dbraw/zinc/75/70/14/861757014.db2.gz IXRLIGXVVVMGEL-ICSRJNTNSA-N 1 0 406.452 4.037 20 30 HIEDRO CCOc1cc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)cc2)ccc1OC(F)F ZINC000026455560 847152980 /nfs/dbraw/zinc/15/29/80/847152980.db2.gz DSVGIKFIYWRYAU-UHFFFAOYSA-N 1 0 403.429 4.019 20 30 HIEDRO Cc1ccc[n+](C(C(=O)c2ccccc2)C(=S)Nc2ccc3c(c2)OCCO3)c1 ZINC000028649089 847440404 /nfs/dbraw/zinc/44/04/04/847440404.db2.gz UWXGLADHSTZZTB-UHFFFAOYSA-O 1 0 405.499 4.105 20 30 HIEDRO C=CCc1cc(C(=O)Nc2ccc(N3CC[NH+](CC)CC3)cc2C)cc(OC)c1OC ZINC000029376528 847555745 /nfs/dbraw/zinc/55/57/45/847555745.db2.gz PZJUZDPBNNJMQM-UHFFFAOYSA-N 1 0 423.557 4.135 20 30 HIEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029831278 847628382 /nfs/dbraw/zinc/62/83/82/847628382.db2.gz BLRNJDDAJLSASG-QZTJIDSGSA-N 1 0 420.488 4.482 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1c(C)cccc1C(=O)N1CCCC1)C(C)C ZINC000044142050 848520194 /nfs/dbraw/zinc/52/01/94/848520194.db2.gz MRGQRWHKSWFONI-NRFANRHFSA-N 1 0 412.578 4.051 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](c3ccco3)c3ccccc3)CC2)cc1 ZINC000045156002 848641544 /nfs/dbraw/zinc/64/15/44/848641544.db2.gz XNDMJTRPNIGCNA-XMMPIXPASA-N 1 0 414.509 4.158 20 30 HIEDRO C=CCN(Cc1ccccc1)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000045787167 848728360 /nfs/dbraw/zinc/72/83/60/848728360.db2.gz OOFPADRZTUWVRR-OYRHEFFESA-N 1 0 407.558 4.194 20 30 HIEDRO CC(C)C[NH+]1CCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000048161535 849182729 /nfs/dbraw/zinc/18/27/29/849182729.db2.gz NZSGSCRTJFVGTF-UHFFFAOYSA-N 1 0 406.530 4.137 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C3CCN(Cc4ccccn4)CC3)c2)c1 ZINC000048716811 849259105 /nfs/dbraw/zinc/25/91/05/849259105.db2.gz XSPWGYNOTCAQBW-UHFFFAOYSA-N 1 0 412.537 4.286 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3csc(Cc4ccccc4)n3)CC2)cc1 ZINC000051180992 849439488 /nfs/dbraw/zinc/43/94/88/849439488.db2.gz CBUJIWNYSVDEEX-UHFFFAOYSA-N 1 0 402.567 4.313 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cc(-c2ccccc2)no1 ZINC000054145151 849815740 /nfs/dbraw/zinc/81/57/40/849815740.db2.gz ODJUAPBTNKESEN-UHFFFAOYSA-N 1 0 409.559 4.440 20 30 HIEDRO COc1ccccc1[C@@H](CNC(=O)N[C@H](C)c1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000056931998 850518257 /nfs/dbraw/zinc/51/82/57/850518257.db2.gz ZQDZYPOMEDFFSQ-XMSQKQJNSA-N 1 0 406.530 4.154 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1ccc(COc2ccccc2C#N)o1 ZINC000059000817 850976307 /nfs/dbraw/zinc/97/63/07/850976307.db2.gz KEAYEPLITFUHBB-UHFFFAOYSA-N 1 0 421.472 4.073 20 30 HIEDRO C[N@H+](CCCNC(=O)c1cccc(OCc2ccccc2C#N)c1)Cc1ccccc1 ZINC000059994245 851029687 /nfs/dbraw/zinc/02/96/87/851029687.db2.gz RJWUSMLYDGMCNN-UHFFFAOYSA-N 1 0 413.521 4.389 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)cc1Cl ZINC000060269441 851057481 /nfs/dbraw/zinc/05/74/81/851057481.db2.gz WEOWKMWTHDYPEA-FQEVSTJZSA-N 1 0 415.896 4.361 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@H](c2ccccc2)N(C)C)cc1OC ZINC000060817128 851219810 /nfs/dbraw/zinc/21/98/10/851219810.db2.gz OVHWBASOZASTJE-LJQANCHMSA-N 1 0 419.363 4.415 20 30 HIEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061285741 851338380 /nfs/dbraw/zinc/33/83/80/851338380.db2.gz RXOJIEINDOQBSE-JOCHJYFZSA-N 1 0 409.555 4.149 20 30 HIEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1)c1ccc(C#N)cc1 ZINC000062502093 851566145 /nfs/dbraw/zinc/56/61/45/851566145.db2.gz LRPIGBIHUXPLBR-MRXNPFEDSA-N 1 0 418.463 4.411 20 30 HIEDRO CCc1c(C(=O)C(C(=S)Nc2ccccc2)[n+]2ccccc2)[nH]c(C)c1C(C)=O ZINC000063440340 851690132 /nfs/dbraw/zinc/69/01/32/851690132.db2.gz NKGDNIAVMJNZGR-UHFFFAOYSA-O 1 0 406.531 4.427 20 30 HIEDRO CCCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1ccc(CCC)cc1 ZINC000063440587 851690259 /nfs/dbraw/zinc/69/02/59/851690259.db2.gz ZEPATCTXTQRBTK-UHFFFAOYSA-O 1 0 414.595 4.267 20 30 HIEDRO Cc1c([C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)nnn1-c1ccc(C)cc1 ZINC000437081415 862277232 /nfs/dbraw/zinc/27/72/32/862277232.db2.gz HJMYUJMLHVIMJI-FEPNQTLGSA-N 1 0 416.529 4.192 20 30 HIEDRO C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437103705 862291281 /nfs/dbraw/zinc/29/12/81/862291281.db2.gz BAQQZQKUOQUTNE-LTKAXEJJSA-N 1 0 404.558 4.143 20 30 HIEDRO C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)c1ccc(C#N)cc1 ZINC000064764266 851979928 /nfs/dbraw/zinc/97/99/28/851979928.db2.gz JFQJUFLIXHOOIH-MRXNPFEDSA-N 1 0 418.463 4.411 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)COc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000065121941 852071998 /nfs/dbraw/zinc/07/19/98/852071998.db2.gz BOBOPHIYKZEVTC-HXUWFJFHSA-N 1 0 419.447 4.155 20 30 HIEDRO Cc1ccc(-c2nc(CC(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cs2)cc1 ZINC000065930946 852321974 /nfs/dbraw/zinc/32/19/74/852321974.db2.gz PFWGVIAKSRMZIR-UHFFFAOYSA-N 1 0 418.566 4.123 20 30 HIEDRO Cc1cc(C[N@@H+](C)[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc(C)c1OCC(F)(F)F ZINC000071966274 852449510 /nfs/dbraw/zinc/44/95/10/852449510.db2.gz UILOXIXWIFWOES-JXFKEZNVSA-N 1 0 413.484 4.119 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccc(F)c(Br)c3)CC2)cc1 ZINC000108202957 852829285 /nfs/dbraw/zinc/82/92/85/852829285.db2.gz MVQCGMIOMOODJB-UHFFFAOYSA-N 1 0 402.311 4.168 20 30 HIEDRO C=CCOc1ccc(C(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cc1 ZINC000109851526 853024131 /nfs/dbraw/zinc/02/41/31/853024131.db2.gz MABCPGCBMCEERI-SFHVURJKSA-N 1 0 411.521 4.023 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC[C@H](Nc4ccccc4)C3)sc2C1 ZINC000110991520 853182026 /nfs/dbraw/zinc/18/20/26/853182026.db2.gz WYZMUTDOIMMSMG-AEFFLSMTSA-N 1 0 408.571 4.260 20 30 HIEDRO CC[NH+](CC)CCN(C(=O)Cc1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000116454013 853305581 /nfs/dbraw/zinc/30/55/81/853305581.db2.gz JOOYXYVVPFHFGG-UHFFFAOYSA-N 1 0 414.347 4.238 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1C ZINC000139963424 853428165 /nfs/dbraw/zinc/42/81/65/853428165.db2.gz FOIPQJGMWTXBDA-UHFFFAOYSA-N 1 0 419.573 4.171 20 30 HIEDRO CC[C@@H](C)Oc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000141265973 853467332 /nfs/dbraw/zinc/46/73/32/853467332.db2.gz XZNWQYGLEYVGEV-LJQANCHMSA-N 1 0 406.530 4.475 20 30 HIEDRO COc1ccc2[nH]cc(C3CC[NH+](CC(=O)N(CCC#N)c4ccccc4)CC3)c2c1 ZINC000142142976 853489442 /nfs/dbraw/zinc/48/94/42/853489442.db2.gz UZYWPDCITOPAPQ-UHFFFAOYSA-N 1 0 416.525 4.303 20 30 HIEDRO COc1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1OCCCC#N ZINC000147210405 853584203 /nfs/dbraw/zinc/58/42/03/853584203.db2.gz MJUJTQCPCSXVSI-DEOSSOPVSA-N 1 0 408.498 4.390 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cccc(C[NH+](C)C)c2)cc1C ZINC000150227706 853640476 /nfs/dbraw/zinc/64/04/76/853640476.db2.gz JLUCNKRVTMJXFB-UHFFFAOYSA-N 1 0 415.541 4.072 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1ccc(Cl)s1)C(=S)NCCSC ZINC000178904334 853667823 /nfs/dbraw/zinc/66/78/23/853667823.db2.gz QZYXWUSLUWYRGV-UHFFFAOYSA-O 1 0 400.014 4.143 20 30 HIEDRO Cc1ccc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)N[C@H](C)c2ccccc2)c1 ZINC000185580727 853668856 /nfs/dbraw/zinc/66/88/56/853668856.db2.gz UWMKSNMSSPXSFD-GOSISDBHSA-O 1 0 400.527 4.444 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1c(C)noc1C)C(=S)N[C@@H]1CCCC[C@H]1C ZINC000186962826 853668892 /nfs/dbraw/zinc/66/88/92/853668892.db2.gz NZLFYIZJPGRPSK-RDTXWAMCSA-O 1 0 400.568 4.248 20 30 HIEDRO C[C@H](Cc1ccccc1)NC(=S)C(C(=O)c1ccc(C#N)cc1)[n+]1ccccc1 ZINC000191699277 853668906 /nfs/dbraw/zinc/66/89/06/853668906.db2.gz XQUDRJIJDMJYIH-GOSISDBHSA-O 1 0 400.527 4.005 20 30 HIEDRO CCC(C)(C)NC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1cccc(C)c1 ZINC000186973109 853669207 /nfs/dbraw/zinc/66/92/07/853669207.db2.gz BBOPKYRIHVPNAV-UHFFFAOYSA-O 1 0 400.568 4.147 20 30 HIEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000195651854 853738633 /nfs/dbraw/zinc/73/86/33/853738633.db2.gz AQPVLGADOANHTM-UHFFFAOYSA-N 1 0 410.521 4.268 20 30 HIEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000195678534 853753046 /nfs/dbraw/zinc/75/30/46/853753046.db2.gz GLQFXZQCXFXITO-ZCNNSNEGSA-N 1 0 405.542 4.120 20 30 HIEDRO CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000236687866 853911188 /nfs/dbraw/zinc/91/11/88/853911188.db2.gz OVONXEXNAZDMEX-NZQKXSOJSA-N 1 0 405.542 4.310 20 30 HIEDRO CC[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000237020930 853952581 /nfs/dbraw/zinc/95/25/81/853952581.db2.gz GTFIQFAWVSAMAR-OAQYLSRUSA-N 1 0 402.498 4.476 20 30 HIEDRO C=CCc1cc(C[NH2+]C2CCN(C(=O)[C@@H](CC)c3ccccc3)CC2)cc(OC)c1O ZINC000237076834 853961113 /nfs/dbraw/zinc/96/11/13/853961113.db2.gz WAWMJGZHEXVSNP-QHCPKHFHSA-N 1 0 422.569 4.404 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@](C)(CO)c2ccccc2)cc1OC ZINC000237201013 853981050 /nfs/dbraw/zinc/98/10/50/853981050.db2.gz ALJGPPYJWXMORZ-FQEVSTJZSA-N 1 0 406.320 4.020 20 30 HIEDRO CN(CCC#N)c1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cc1 ZINC000237209227 853981951 /nfs/dbraw/zinc/98/19/51/853981951.db2.gz XPETWQGMYPGORP-LJQANCHMSA-N 1 0 414.500 4.396 20 30 HIEDRO C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]Cc1ccc(N(C)CCC#N)cc1 ZINC000237390739 854020116 /nfs/dbraw/zinc/02/01/16/854020116.db2.gz CCLOPCFIFFUACX-FQEVSTJZSA-N 1 0 419.573 4.144 20 30 HIEDRO C=CCc1cc(C[NH2+][C@H](Cc2ccccc2)C(=O)Nc2ccccc2)cc(OC)c1O ZINC000237407326 854025646 /nfs/dbraw/zinc/02/56/46/854025646.db2.gz MEUWFIMOOBZKTE-HSZRJFAPSA-N 1 0 416.521 4.469 20 30 HIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 ZINC000237494643 854045512 /nfs/dbraw/zinc/04/55/12/854045512.db2.gz NDCHCNHCGKNRGG-INIZCTEOSA-N 1 0 419.447 4.123 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)c(-c2ccccc2)n1 ZINC000237832044 854105291 /nfs/dbraw/zinc/10/52/91/854105291.db2.gz OVDZPKHDJCUXLF-UHFFFAOYSA-N 1 0 417.582 4.307 20 30 HIEDRO N#CCCn1cc(C[NH2+]C[C@H](c2cccs2)N2CCCC2)c(-c2ccccc2)n1 ZINC000237830553 854105561 /nfs/dbraw/zinc/10/55/61/854105561.db2.gz FIKMABUYRAURQN-OAQYLSRUSA-N 1 0 405.571 4.452 20 30 HIEDRO N#Cc1ccc(OCC[NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)cc1 ZINC000237851779 854107245 /nfs/dbraw/zinc/10/72/45/854107245.db2.gz JSLBPWJKYCHHQK-UHFFFAOYSA-N 1 0 409.493 4.034 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCN(c4ccccc4F)C3=O)c2)c1 ZINC000237854275 854108717 /nfs/dbraw/zinc/10/87/17/854108717.db2.gz IHGLKZLGYFCKAO-HSZRJFAPSA-N 1 0 415.468 4.171 20 30 HIEDRO N#Cc1ccc2ncc(C[NH2+]Cc3ccccc3-c3ccc(Cn4cccn4)cc3)n2c1 ZINC000237856972 854109340 /nfs/dbraw/zinc/10/93/40/854109340.db2.gz VKYPDSRNBJQALK-UHFFFAOYSA-N 1 0 418.504 4.408 20 30 HIEDRO C#CCCOc1ccc(C[NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000237893077 854115813 /nfs/dbraw/zinc/11/58/13/854115813.db2.gz ISVAXERXKXCOPT-UHFFFAOYSA-N 1 0 403.448 4.261 20 30 HIEDRO CCN([C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000250095957 854192368 /nfs/dbraw/zinc/19/23/68/854192368.db2.gz XVKWVRBKRNHGLN-APWZRJJASA-N 1 0 417.962 4.058 20 30 HIEDRO C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[NH+](CCCCC#N)CC1 ZINC000303149768 854786397 /nfs/dbraw/zinc/78/63/97/854786397.db2.gz VLQJEJLOZKUPKX-OAHLLOKOSA-N 1 0 407.440 4.128 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)CC1 ZINC000303300960 854860116 /nfs/dbraw/zinc/86/01/16/854860116.db2.gz PYJWGCAJLNFBPR-UHFFFAOYSA-N 1 0 414.962 4.429 20 30 HIEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000303559016 855039875 /nfs/dbraw/zinc/03/98/75/855039875.db2.gz KVQNVHUTHBIIFE-HSZRJFAPSA-N 1 0 403.526 4.228 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000303584645 855057536 /nfs/dbraw/zinc/05/75/36/855057536.db2.gz QBERVQJLEWUWEW-AVRDEDQJSA-N 1 0 423.582 4.249 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000303584647 855057645 /nfs/dbraw/zinc/05/76/45/855057645.db2.gz QBERVQJLEWUWEW-GCJKJVERSA-N 1 0 423.582 4.249 20 30 HIEDRO N#Cc1ccc(OCc2cccc(C(=O)N3CCC(C[NH+]4CCCC4)CC3)c2)cc1 ZINC000303692403 855136554 /nfs/dbraw/zinc/13/65/54/855136554.db2.gz MYURPXAAAUAUCG-UHFFFAOYSA-N 1 0 403.526 4.085 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2c(C)nn(Cc3ccccc3)c2C)c1 ZINC000303789367 855199354 /nfs/dbraw/zinc/19/93/54/855199354.db2.gz VGZLMACYIGXTAL-UHFFFAOYSA-N 1 0 421.545 4.272 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCCCC(=O)Nc2ccc(Cl)cc2)c1 ZINC000303880019 855266712 /nfs/dbraw/zinc/26/67/12/855266712.db2.gz JYFULDVEXMBCGB-UHFFFAOYSA-N 1 0 418.925 4.283 20 30 HIEDRO [NH2+]=C(NCc1ccc(N2CCCCC2=O)cc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303885549 855269320 /nfs/dbraw/zinc/26/93/20/855269320.db2.gz NHRLQUVZRNBLOY-UHFFFAOYSA-N 1 0 406.408 4.029 20 30 HIEDRO CCOc1ccc(C2(CNC(=[NH2+])Nc3ccc(OC)c(Cl)c3)CCOCC2)cc1 ZINC000303885139 855269873 /nfs/dbraw/zinc/26/98/73/855269873.db2.gz MZWKLCIBUYFZAK-UHFFFAOYSA-N 1 0 417.937 4.222 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCC(C)(C)c2ccc(Br)cc2)cc1OC ZINC000303903980 855279417 /nfs/dbraw/zinc/27/94/17/855279417.db2.gz YNWZLRRGDJCCKJ-UHFFFAOYSA-N 1 0 406.324 4.171 20 30 HIEDRO CC(C)(C)OC(=O)N(CCCNC(=[NH2+])Nc1ccc2c(c1)CCC2)Cc1cccnc1 ZINC000303904575 855279498 /nfs/dbraw/zinc/27/94/98/855279498.db2.gz UZJZOAYQZWXCLA-UHFFFAOYSA-N 1 0 423.561 4.124 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000303905824 855280137 /nfs/dbraw/zinc/28/01/37/855280137.db2.gz ZONZMFOXLVBKDK-UHFFFAOYSA-N 1 0 415.509 4.098 20 30 HIEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2ccc(COCc3ccccc3)cc2)c1 ZINC000303907807 855282426 /nfs/dbraw/zinc/28/24/26/855282426.db2.gz XCKVJEPSQMATKH-UHFFFAOYSA-N 1 0 405.498 4.347 20 30 HIEDRO COc1cc(CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)cc(Br)c1OC ZINC000303970746 855330514 /nfs/dbraw/zinc/33/05/14/855330514.db2.gz CTTAUNKXLNCOTR-UHFFFAOYSA-N 1 0 422.323 4.180 20 30 HIEDRO COc1cccc(N2CC[C@@H](CNC(=[NH2+])N[C@@H](C)c3ccc(Cl)cc3Cl)C2)c1 ZINC000303985254 855336727 /nfs/dbraw/zinc/33/67/27/855336727.db2.gz STPWGVYFEMMXML-GJZGRUSLSA-N 1 0 421.372 4.494 20 30 HIEDRO Cc1c(Cl)cccc1NC(=O)CCNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000303984878 855336854 /nfs/dbraw/zinc/33/68/54/855336854.db2.gz SOWDUNJYIAJPMO-UHFFFAOYSA-N 1 0 414.815 4.302 20 30 HIEDRO [NH2+]=C(NCc1ccccc1COCc1ccccc1)N[C@H]1CCOc2ccccc21 ZINC000304468270 855355761 /nfs/dbraw/zinc/35/57/61/855355761.db2.gz CMGJKDNNHUVYTF-QHCPKHFHSA-N 1 0 401.510 4.332 20 30 HIEDRO C[C@H]1CN(c2ccc(CNC(=[NH2+])Nc3cccc(Oc4ccccc4)c3)cn2)CCO1 ZINC000304479579 855356317 /nfs/dbraw/zinc/35/63/17/855356317.db2.gz IZNSTNRVMPDSBQ-SFHVURJKSA-N 1 0 417.513 4.026 20 30 HIEDRO Cc1ccc([C@@H](CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)N2CCOCC2)o1 ZINC000304495628 855356627 /nfs/dbraw/zinc/35/66/27/855356627.db2.gz PNAANHUBWHMPQE-JOCHJYFZSA-N 1 0 420.513 4.180 20 30 HIEDRO [NH2+]=C(NC[C@H](c1c(F)cccc1Cl)N1CCCC1)N[C@@H]1CCOc2ccccc21 ZINC000304480652 855356667 /nfs/dbraw/zinc/35/66/67/855356667.db2.gz JKXAMEOUPGJSLH-RTBURBONSA-N 1 0 416.928 4.044 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCCc2nc(-c3ccc(Cl)cc3)no2)cc1Cl ZINC000304746122 855357216 /nfs/dbraw/zinc/35/72/16/855357216.db2.gz FNWCTEGZMNQWIV-UHFFFAOYSA-N 1 0 406.273 4.021 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000304760684 855357639 /nfs/dbraw/zinc/35/76/39/855357639.db2.gz SUWUIWOJOUYZMB-UHFFFAOYSA-N 1 0 415.881 4.114 20 30 HIEDRO COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](C)Sc2ccc(Br)cc2)c1 ZINC000304760145 855357806 /nfs/dbraw/zinc/35/78/06/855357806.db2.gz RZVWLCDBKJDMQD-GFCCVEGCSA-N 1 0 424.364 4.374 20 30 HIEDRO COc1cc(CNC(=[NH2+])Nc2cccc3c2CCCC3)cc(Br)c1OC ZINC000304643388 855357877 /nfs/dbraw/zinc/35/78/77/855357877.db2.gz DGFJRBFMIIUWKG-UHFFFAOYSA-N 1 0 418.335 4.272 20 30 HIEDRO CN(C)C(=O)c1cccc(CCNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)c1 ZINC000304775773 855358917 /nfs/dbraw/zinc/35/89/17/855358917.db2.gz CQTIFOMJCBZDSP-UHFFFAOYSA-N 1 0 402.498 4.150 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCCc2ccc(NC(=O)OC(C)(C)C)cc2)cc1OC ZINC000304935645 855359061 /nfs/dbraw/zinc/35/90/61/855359061.db2.gz IGZNEUHGOHOPHT-UHFFFAOYSA-N 1 0 414.506 4.020 20 30 HIEDRO C[C@@H](NC(=[NH2+])NCc1cccnc1OCC(F)F)c1ccc(Cl)cc1Cl ZINC000305757750 855360955 /nfs/dbraw/zinc/36/09/55/855360955.db2.gz XIXSCLVTWMXGST-SNVBAGLBSA-N 1 0 403.260 4.198 20 30 HIEDRO CC(C)(C)OC(=O)C1CCC(NC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000305746704 855361126 /nfs/dbraw/zinc/36/11/26/855361126.db2.gz QVULKMXKLIZYOU-UHFFFAOYSA-N 1 0 401.429 4.212 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCC[NH+](CC)CC ZINC000409480187 855502047 /nfs/dbraw/zinc/50/20/47/855502047.db2.gz QUTILGDKJSERTG-UHFFFAOYSA-N 1 0 400.336 4.018 20 30 HIEDRO N#CC1(CCC[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)CCOCC1 ZINC000410311509 855921710 /nfs/dbraw/zinc/92/17/10/855921710.db2.gz FNZJMMXMBHBKOU-UHFFFAOYSA-N 1 0 410.587 4.028 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@H+](CCO)Cc2cccc(F)c2)cc1OC ZINC000426379898 856266515 /nfs/dbraw/zinc/26/65/15/856266515.db2.gz KDKUVCLIQFLLRN-UHFFFAOYSA-N 1 0 424.310 4.156 20 30 HIEDRO Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)n1 ZINC000426385050 856268240 /nfs/dbraw/zinc/26/82/40/856268240.db2.gz KIJYEYCQYUEYNP-GOSISDBHSA-N 1 0 401.432 4.111 20 30 HIEDRO C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)Cc1ccccc1C(C)(C)C#N ZINC000426747648 856451382 /nfs/dbraw/zinc/45/13/82/856451382.db2.gz QUFZPNJAQKUGOD-SFHVURJKSA-N 1 0 411.571 4.221 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)C(C)(C)C[NH+]1CCCCCC1 ZINC000426753125 856456020 /nfs/dbraw/zinc/45/60/20/856456020.db2.gz GYYCUVHGJHLDEQ-LJQANCHMSA-N 1 0 416.635 4.463 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000427118850 856649222 /nfs/dbraw/zinc/64/92/22/856649222.db2.gz BXXATRNDEGVYEP-MRXNPFEDSA-N 1 0 401.536 4.254 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)c1C#N ZINC000437469724 862831053 /nfs/dbraw/zinc/83/10/53/862831053.db2.gz ROMDYVWTVUZJIQ-QGZVFWFLSA-N 1 0 420.582 4.289 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ncc(Br)cc1F ZINC000427717226 856921157 /nfs/dbraw/zinc/92/11/57/856921157.db2.gz FPRPCWKQUJHHHH-DOMZBBRYSA-N 1 0 421.289 4.314 20 30 HIEDRO Cc1nc(C(C)C)oc1CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 ZINC000428291368 857143489 /nfs/dbraw/zinc/14/34/89/857143489.db2.gz ABSBOEHNMZGTHE-SFHVURJKSA-N 1 0 417.351 4.251 20 30 HIEDRO C=C(C)COc1cccc(NC(=O)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000429058137 857482884 /nfs/dbraw/zinc/48/28/84/857482884.db2.gz CXSOYOHPVUOUPL-BGYRXZFFSA-N 1 0 415.578 4.385 20 30 HIEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(c3ncccc3Cl)CC2)c(OC)c1 ZINC000429213098 857557330 /nfs/dbraw/zinc/55/73/30/857557330.db2.gz BECDOQHJETYBIY-LJQANCHMSA-N 1 0 416.949 4.091 20 30 HIEDRO Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C(C)(C)Oc1ccc(C#N)cc1 ZINC000429371230 857627459 /nfs/dbraw/zinc/62/74/59/857627459.db2.gz JBIFAJRUYGCVLQ-UHFFFAOYSA-N 1 0 409.555 4.212 20 30 HIEDRO COc1cc(CN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ccc1OCc1cccc(C#N)c1 ZINC000429378629 857632718 /nfs/dbraw/zinc/63/27/18/857632718.db2.gz ASOYZOSFPBXQQW-FQEVSTJZSA-N 1 0 419.569 4.452 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H]1c2cccc(Br)c2CC1(C)C ZINC000429408800 857649126 /nfs/dbraw/zinc/64/91/26/857649126.db2.gz NTENFYKWIXJFKA-ROOHIHILSA-N 1 0 406.368 4.105 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000429408534 857649256 /nfs/dbraw/zinc/64/92/56/857649256.db2.gz XAVFNYPDJBYNTQ-IAGOWNOFSA-N 1 0 414.619 4.022 20 30 HIEDRO C[NH+](C)[C@@H]1CCCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000429475138 857687782 /nfs/dbraw/zinc/68/77/82/857687782.db2.gz YKAPVCMLGTVMNP-JOCHJYFZSA-N 1 0 406.530 4.280 20 30 HIEDRO CC(C)(CO)[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccccc1 ZINC000429704835 857842502 /nfs/dbraw/zinc/84/25/02/857842502.db2.gz XMWRODDVIPUBCP-NRFANRHFSA-N 1 0 411.571 4.177 20 30 HIEDRO Cc1nc(SCC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C#N)c(C)c1C ZINC000430669625 858260278 /nfs/dbraw/zinc/26/02/78/858260278.db2.gz RNULXMQQRMNQLS-IERDGZPVSA-N 1 0 422.598 4.140 20 30 HIEDRO Cc1nc(SCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C#N)c(C)c1C ZINC000430669626 858260482 /nfs/dbraw/zinc/26/04/82/858260482.db2.gz RNULXMQQRMNQLS-IIBYNOLFSA-N 1 0 422.598 4.140 20 30 HIEDRO CC(C)(C)N1CC[C@H](NC(=O)NCC2(CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000430909557 858365440 /nfs/dbraw/zinc/36/54/40/858365440.db2.gz ARTFMYPTBQBDAS-ROUUACIJSA-N 1 0 406.933 4.386 20 30 HIEDRO CC(C)(C)N1CC[C@@H](NC(=O)NCC2(CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000430909457 858365499 /nfs/dbraw/zinc/36/54/99/858365499.db2.gz ARTFMYPTBQBDAS-QZTJIDSGSA-N 1 0 406.933 4.386 20 30 HIEDRO CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NCc1c(F)cc(F)c(F)c1F ZINC000430948577 858379758 /nfs/dbraw/zinc/37/97/58/858379758.db2.gz KCPYEVTWWIUTRO-UHFFFAOYSA-N 1 0 417.369 4.049 20 30 HIEDRO C=CCN1C(=O)N(C[C@@H]2CCC[N@H+](Cc3cccs3)C2)C(=O)[C@H]1Cc1ccccc1 ZINC000431165820 858481567 /nfs/dbraw/zinc/48/15/67/858481567.db2.gz HHAUWKQEGWDOJA-IFMALSPDSA-N 1 0 423.582 4.022 20 30 HIEDRO C=CCN1C(=O)N(C2CC[NH+]([C@@H](C)c3ccccc3)CC2)C(=O)[C@H]1Cc1ccccc1 ZINC000431408729 858600540 /nfs/dbraw/zinc/60/05/40/858600540.db2.gz WLZZPCRENMJQTK-GBXCKJPGSA-N 1 0 417.553 4.274 20 30 HIEDRO N#Cc1nc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ccc1C(F)(F)F ZINC000431508750 858648805 /nfs/dbraw/zinc/64/88/05/858648805.db2.gz AOXRJQJEJBTAJG-UHFFFAOYSA-N 1 0 400.448 4.465 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431673268 858729529 /nfs/dbraw/zinc/72/95/29/858729529.db2.gz MHQIMYWLYPUWCB-NZQKXSOJSA-N 1 0 407.558 4.446 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431698037 858746855 /nfs/dbraw/zinc/74/68/55/858746855.db2.gz QYONVHYWZFNVII-RDPSFJRHSA-N 1 0 402.542 4.309 20 30 HIEDRO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1Cl ZINC000437732542 863061118 /nfs/dbraw/zinc/06/11/18/863061118.db2.gz MSGHVMXBWCAAQM-FPOVZHCZSA-N 1 0 406.917 4.473 20 30 HIEDRO Cc1c(C#N)cccc1NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000431756261 858791719 /nfs/dbraw/zinc/79/17/19/858791719.db2.gz RBWCGGQFDMUTNF-UHFFFAOYSA-N 1 0 415.335 4.225 20 30 HIEDRO N#CCCC[C@@H](NC(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000431809802 858822625 /nfs/dbraw/zinc/82/26/25/858822625.db2.gz GKFDLAJDCQVJQL-XMMPIXPASA-N 1 0 404.558 4.428 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000432085240 858978656 /nfs/dbraw/zinc/97/86/56/858978656.db2.gz NQGRBGBHNFLOND-GOSISDBHSA-N 1 0 420.395 4.064 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CC[C@@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000432085241 858978826 /nfs/dbraw/zinc/97/88/26/858978826.db2.gz NQGRBGBHNFLOND-SFHVURJKSA-N 1 0 420.395 4.064 20 30 HIEDRO CC(C)(C)OC(=O)[C@@]12CCC[C@H]1C[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)C2 ZINC000467560339 881384651 /nfs/dbraw/zinc/38/46/51/881384651.db2.gz QGFJTHHFLFAGAC-SQJMNOBHSA-N 1 0 420.557 4.408 20 30 HIEDRO N#CCCC[C@H]([NH2+]CC(=O)N1c2ccccc2NC(=O)C12CCCC2)c1ccccc1 ZINC000433012650 859477256 /nfs/dbraw/zinc/47/72/56/859477256.db2.gz ULQSBGQUWISYSZ-FQEVSTJZSA-N 1 0 416.525 4.309 20 30 HIEDRO N#CCCC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(Br)c1)c1ccccc1 ZINC000433022588 859484709 /nfs/dbraw/zinc/48/47/09/859484709.db2.gz WGIDYHJMVBTYOQ-LJQANCHMSA-N 1 0 421.360 4.248 20 30 HIEDRO Cc1cc(NC(=O)C[NH2+][C@@H](CCCC#N)c2ccccc2)n(-c2ccccc2F)n1 ZINC000433022792 859484765 /nfs/dbraw/zinc/48/47/65/859484765.db2.gz MAVGYQRVHCVIFQ-FQEVSTJZSA-N 1 0 405.477 4.283 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000433096798 859520753 /nfs/dbraw/zinc/52/07/53/859520753.db2.gz GVHSJFXSXIBYFJ-UHFFFAOYSA-N 1 0 406.511 4.224 20 30 HIEDRO COc1ccc(C#N)cc1C[NH+]1CCC(c2nc(-c3ccccc3OC)no2)CC1 ZINC000433137789 859535732 /nfs/dbraw/zinc/53/57/32/859535732.db2.gz PWQMMMMTYMPUBE-UHFFFAOYSA-N 1 0 404.470 4.005 20 30 HIEDRO N#CCCn1cc(CNc2cccc(C[NH+]3CCSCC3)c2)c(-c2ccncc2)n1 ZINC000433309539 859630888 /nfs/dbraw/zinc/63/08/88/859630888.db2.gz ATVZGXOKZBXAQM-UHFFFAOYSA-N 1 0 418.570 4.020 20 30 HIEDRO CC[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)Oc1cccc(Cl)c1 ZINC000433313767 859634334 /nfs/dbraw/zinc/63/43/34/859634334.db2.gz WYESGFLDBQAJNH-FQEVSTJZSA-N 1 0 409.921 4.459 20 30 HIEDRO C[C@@H]([NH2+]C(C)(C)CNCc1cn(CCC#N)nc1-c1ccncc1)c1ccccc1 ZINC000433328331 859645733 /nfs/dbraw/zinc/64/57/33/859645733.db2.gz RKFFVCONVWLARM-LJQANCHMSA-N 1 0 402.546 4.078 20 30 HIEDRO Cc1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1Br ZINC000433343238 859655515 /nfs/dbraw/zinc/65/55/15/859655515.db2.gz NMAAWSLPVQSFSN-UHFFFAOYSA-N 1 0 410.319 4.220 20 30 HIEDRO C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000433406487 859681713 /nfs/dbraw/zinc/68/17/13/859681713.db2.gz PLYJBEGMZXZFJL-WOJBJXKFSA-N 1 0 420.557 4.086 20 30 HIEDRO OCC1CC[NH+](Cc2ccccc2NCC#Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000433499168 859736882 /nfs/dbraw/zinc/73/68/82/859736882.db2.gz YHXMZSUVGKTXJI-UHFFFAOYSA-N 1 0 418.459 4.253 20 30 HIEDRO CCCCOc1ccc([C@H](C)[NH2+][C@H]2CCN(c3sccc3C#N)C2=O)cc1OC ZINC000434860440 860526511 /nfs/dbraw/zinc/52/65/11/860526511.db2.gz ZVUGDHHODLSDOC-YJBOKZPZSA-N 1 0 413.543 4.263 20 30 HIEDRO COC(=O)[C@H](NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1)c1cccc(C#N)c1 ZINC000434865669 860528278 /nfs/dbraw/zinc/52/82/78/860528278.db2.gz SEXRNDYAMRZQSR-AXHZCLLHSA-N 1 0 405.542 4.040 20 30 HIEDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435133908 860656904 /nfs/dbraw/zinc/65/69/04/860656904.db2.gz DYGOIMVVADRHIM-QFIPXVFZSA-N 1 0 401.514 4.074 20 30 HIEDRO COc1ccc(CC2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC2)cc1 ZINC000435138020 860660097 /nfs/dbraw/zinc/66/00/97/860660097.db2.gz PGXCTIQTPDQPTK-UHFFFAOYSA-N 1 0 415.541 4.322 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(F)cc1C#N ZINC000435165518 860673147 /nfs/dbraw/zinc/67/31/47/860673147.db2.gz LMGJRWQHPXQYDO-UHFFFAOYSA-N 1 0 408.399 4.312 20 30 HIEDRO C=C(C)C[C@H](C)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000467781674 881602968 /nfs/dbraw/zinc/60/29/68/881602968.db2.gz BTUIKNSMCJTSKJ-INIZCTEOSA-N 1 0 409.368 4.011 20 30 HIEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000435739428 861020893 /nfs/dbraw/zinc/02/08/93/861020893.db2.gz GFUHNJDXVBOWNE-JXFKEZNVSA-N 1 0 404.352 4.322 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@@H]1c1cccs1 ZINC000437981813 863348250 /nfs/dbraw/zinc/34/82/50/863348250.db2.gz COMCZFIBYJHGGD-KBXCAEBGSA-N 1 0 420.485 4.426 20 30 HIEDRO COc1ccc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1OC(F)F ZINC000438456822 863880748 /nfs/dbraw/zinc/88/07/48/863880748.db2.gz DPDOLCHPVUTLJO-UHFFFAOYSA-N 1 0 403.429 4.043 20 30 HIEDRO Cc1sc(NC(=O)CN2CC[NH+](C3CCC(C(C)C)CC3)CC2)c(C#N)c1C ZINC000438564174 863997275 /nfs/dbraw/zinc/99/72/75/863997275.db2.gz QSPJGTMZKNCMHX-UHFFFAOYSA-N 1 0 402.608 4.008 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000438643786 864080686 /nfs/dbraw/zinc/08/06/86/864080686.db2.gz GJGDHCFATRDKOG-UHFFFAOYSA-N 1 0 408.399 4.312 20 30 HIEDRO N#Cc1ccc(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)cc1C(F)(F)F ZINC000438645290 864083805 /nfs/dbraw/zinc/08/38/05/864083805.db2.gz XNFVSIUGCWSVEK-UHFFFAOYSA-N 1 0 412.481 4.060 20 30 HIEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N[C@H](CCC#N)c3ccccc3)cc2)C[C@@H](C)O1 ZINC000438843794 864338590 /nfs/dbraw/zinc/33/85/90/864338590.db2.gz WQUCYCRRFRBNTL-YOSAUDMPSA-N 1 0 420.557 4.140 20 30 HIEDRO CC(C)c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000438961055 864429841 /nfs/dbraw/zinc/42/98/41/864429841.db2.gz JDSYFUHSCTXOMM-UHFFFAOYSA-N 1 0 406.486 4.006 20 30 HIEDRO N#Cc1c(NC(=O)C[N@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)sc2c1CCCCC2 ZINC000438994192 864451827 /nfs/dbraw/zinc/45/18/27/864451827.db2.gz BMPBXVDDZDSAFU-MISYRCLQSA-N 1 0 415.603 4.233 20 30 HIEDRO C=CCC[C@H]([NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1)C1CC1 ZINC000438992571 864452150 /nfs/dbraw/zinc/45/21/50/864452150.db2.gz HYZSIEVZMANIQF-KRWDZBQOSA-N 1 0 400.382 4.336 20 30 HIEDRO N#Cc1c(NC(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)sc2c1CCCCC2 ZINC000438994195 864453247 /nfs/dbraw/zinc/45/32/47/864453247.db2.gz BMPBXVDDZDSAFU-SXLOBPIMSA-N 1 0 415.603 4.233 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439316255 864751121 /nfs/dbraw/zinc/75/11/21/864751121.db2.gz CXJCFFVUVBBEFX-QRWLVFNGSA-N 1 0 406.368 4.071 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC[C@H]3CCC[C@@H](C(F)(F)F)C3)CC2)cc1 ZINC000439579878 864900344 /nfs/dbraw/zinc/90/03/44/864900344.db2.gz HDNHFKYPBPOPRQ-VQTJNVASSA-N 1 0 422.495 4.144 20 30 HIEDRO N#Cc1ccc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C(F)(F)F ZINC000467962354 881822482 /nfs/dbraw/zinc/82/24/82/881822482.db2.gz CPXWYLOLCGJBPF-MRXNPFEDSA-N 1 0 402.420 4.221 20 30 HIEDRO CCCc1c(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)cnn1-c1cccc(C#N)c1 ZINC000439674523 865007197 /nfs/dbraw/zinc/00/71/97/865007197.db2.gz QCPJKNNXWXVMOF-NRFANRHFSA-N 1 0 410.566 4.184 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc(C#N)c(F)c1 ZINC000468049617 881875101 /nfs/dbraw/zinc/87/51/01/881875101.db2.gz OLGLVXYIVVYVMC-DYVFJYSZSA-N 1 0 405.395 4.168 20 30 HIEDRO COc1cccc([C@H](CNC(=O)N[C@H](CCC#N)c2ccccc2)[NH+]2CCCC2)c1 ZINC000440216459 865453823 /nfs/dbraw/zinc/45/38/23/865453823.db2.gz OVTAHXZJXCTKIU-PKTZIBPZSA-N 1 0 406.530 4.176 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc(C#N)c(F)c1 ZINC000468049616 881875455 /nfs/dbraw/zinc/87/54/55/881875455.db2.gz OLGLVXYIVVYVMC-CXAGYDPISA-N 1 0 405.395 4.168 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000440258707 865508835 /nfs/dbraw/zinc/50/88/35/865508835.db2.gz UNGCDCGAKXUWBG-OAQYLSRUSA-N 1 0 400.473 4.083 20 30 HIEDRO N#CCc1cccc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)c1 ZINC000440435324 865736812 /nfs/dbraw/zinc/73/68/12/865736812.db2.gz ROKMOKBSEOLXBM-HXUWFJFHSA-N 1 0 415.459 4.279 20 30 HIEDRO CC[NH+](CC)CC1CCN(c2c(C#N)cnc3c(Br)cccc32)CC1 ZINC000440681547 865863571 /nfs/dbraw/zinc/86/35/71/865863571.db2.gz NPTBGKWNIJJGJZ-UHFFFAOYSA-N 1 0 401.352 4.427 20 30 HIEDRO COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000441286001 866360317 /nfs/dbraw/zinc/36/03/17/866360317.db2.gz YYGJFWKHFHNFCX-GOTSBHOMSA-N 1 0 406.526 4.394 20 30 HIEDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441391260 866463157 /nfs/dbraw/zinc/46/31/57/866463157.db2.gz GIXHRRIELLTFBV-UHFFFAOYSA-N 1 0 416.460 4.202 20 30 HIEDRO N#Cc1cc(NC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)ccc1OC(F)(F)F ZINC000442083481 867113492 /nfs/dbraw/zinc/11/34/92/867113492.db2.gz PYCMXXCWAVDLTP-OAHLLOKOSA-N 1 0 408.380 4.008 20 30 HIEDRO COc1ccc(C[NH2+]CCN2CCc3c(Cl)cccc3C2)cc1OCCCC#N ZINC000442987183 867781017 /nfs/dbraw/zinc/78/10/17/867781017.db2.gz DTQGIYALVLTHMA-UHFFFAOYSA-N 1 0 413.949 4.179 20 30 HIEDRO CC[C@]1(C)Oc2ccc(NC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cc2O1 ZINC000443355271 867922627 /nfs/dbraw/zinc/92/26/27/867922627.db2.gz AGRBZQBGXFYSSV-XMMPIXPASA-N 1 0 420.513 4.195 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3coc(-c4c(F)cccc4F)n3)CC2)cc1 ZINC000443676661 868282403 /nfs/dbraw/zinc/28/24/03/868282403.db2.gz WRRHLSNNWPUGQN-UHFFFAOYSA-N 1 0 408.452 4.199 20 30 HIEDRO Cc1cc(CNc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)ccc1C#N ZINC000443999016 868518309 /nfs/dbraw/zinc/51/83/09/868518309.db2.gz SBTBBQADVBHHOT-UHFFFAOYSA-N 1 0 411.553 4.239 20 30 HIEDRO CC[NH+]1CCC(n2nccc2NC(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000444126227 868632396 /nfs/dbraw/zinc/63/23/96/868632396.db2.gz AGPWUFPNAGQDGY-UHFFFAOYSA-N 1 0 404.518 4.051 20 30 HIEDRO COc1cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000444190502 868658877 /nfs/dbraw/zinc/65/88/77/868658877.db2.gz HKEPRNVGCRGWAL-XMMPIXPASA-N 1 0 419.569 4.454 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000444215016 868669928 /nfs/dbraw/zinc/66/99/28/868669928.db2.gz SAWDIDAYPCAGEE-HKUYNNGSSA-N 1 0 401.576 4.300 20 30 HIEDRO COc1ccccc1C[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000444233981 868683031 /nfs/dbraw/zinc/68/30/31/868683031.db2.gz CBBWBAJAENXUMA-QZTJIDSGSA-N 1 0 411.571 4.448 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)N(CC)[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000444648602 868929229 /nfs/dbraw/zinc/92/92/29/868929229.db2.gz JSIQXYPVZNOZRB-AUSIDOKSSA-N 1 0 420.557 4.292 20 30 HIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@H](C)c2cccc(O)c2)c1C#N ZINC000444749427 868985880 /nfs/dbraw/zinc/98/58/80/868985880.db2.gz SIBOTFOIORTBPZ-KRWDZBQOSA-N 1 0 402.498 4.020 20 30 HIEDRO N#Cc1nc(-c2ccco2)oc1N1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000468392012 882336102 /nfs/dbraw/zinc/33/61/02/882336102.db2.gz ISGIFCGGFHEVSP-UHFFFAOYSA-N 1 0 408.424 4.297 20 30 HIEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000445987629 869951291 /nfs/dbraw/zinc/95/12/91/869951291.db2.gz HAVLQTXJSSXLEX-PMACEKPBSA-N 1 0 422.472 4.277 20 30 HIEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC000445988448 869952689 /nfs/dbraw/zinc/95/26/89/869952689.db2.gz ODIDMAALJPSFHV-QUCCMNQESA-N 1 0 422.472 4.277 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)N3CCC([NH+]4CC=CC4)CC3)cc2F)c1 ZINC000446156621 870097935 /nfs/dbraw/zinc/09/79/35/870097935.db2.gz DBDXDJLZYGFSSF-UHFFFAOYSA-N 1 0 420.488 4.144 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000446634297 870540706 /nfs/dbraw/zinc/54/07/06/870540706.db2.gz CRVMQEHLRJVSKU-RPWUZVMVSA-N 1 0 404.558 4.043 20 30 HIEDRO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccc(C#N)cc1 ZINC000447537542 871400534 /nfs/dbraw/zinc/40/05/34/871400534.db2.gz WRVRDQHZDWGEKX-FDDCHVKYSA-N 1 0 411.571 4.220 20 30 HIEDRO CC(C)c1ccc2ncc(C#N)c(N3CCN(C4CC[NH+](C(C)C)CC4)CC3)c2c1 ZINC000447672813 871603509 /nfs/dbraw/zinc/60/35/09/871603509.db2.gz VRVIRSDCBJIVGN-UHFFFAOYSA-N 1 0 405.590 4.225 20 30 HIEDRO C[NH+](C)[C@H]1CCOc2c(NC(=O)c3occc3COc3cccc(C#N)c3)cccc21 ZINC000447723858 871668304 /nfs/dbraw/zinc/66/83/04/871668304.db2.gz RRSIZEVGJOZOMN-NRFANRHFSA-N 1 0 417.465 4.368 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC#Cc1cccc(Cl)c1 ZINC000448096782 871938838 /nfs/dbraw/zinc/93/88/38/871938838.db2.gz JKQLHIQEYCAVNG-UHFFFAOYSA-N 1 0 400.979 4.290 20 30 HIEDRO C=C(C)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460392011 873039876 /nfs/dbraw/zinc/03/98/76/873039876.db2.gz WMNHZXVTIHCJMG-IBGZPJMESA-N 1 0 404.562 4.457 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460545289 873247204 /nfs/dbraw/zinc/24/72/04/873247204.db2.gz HTNROXLZZQDSOK-UHFFFAOYSA-N 1 0 409.578 4.196 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000460545960 873251199 /nfs/dbraw/zinc/25/11/99/873251199.db2.gz JIZORQMOUONNEQ-NRFANRHFSA-N 1 0 409.578 4.196 20 30 HIEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000460547841 873251791 /nfs/dbraw/zinc/25/17/91/873251791.db2.gz FRWIQXYXOACIFH-OAQYLSRUSA-N 1 0 402.546 4.017 20 30 HIEDRO C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460577996 873313832 /nfs/dbraw/zinc/31/38/32/873313832.db2.gz RSVYNGTUNFEXMA-UHFFFAOYSA-N 1 0 406.578 4.168 20 30 HIEDRO CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000460748207 873583029 /nfs/dbraw/zinc/58/30/29/873583029.db2.gz LHOMSLLHJYJWKW-UHFFFAOYSA-N 1 0 414.557 4.185 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460764999 873606371 /nfs/dbraw/zinc/60/63/71/873606371.db2.gz ADTZJCRAYAAHQG-VQIMIIECSA-N 1 0 417.985 4.350 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000460783563 873640163 /nfs/dbraw/zinc/64/01/63/873640163.db2.gz PDSYNSLMTDTJAX-SQNIBIBYSA-N 1 0 401.530 4.052 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000460791164 873655032 /nfs/dbraw/zinc/65/50/32/873655032.db2.gz GFVKYGJOAGJMBN-ILWGZMRPSA-N 1 0 409.578 4.053 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460794855 873664466 /nfs/dbraw/zinc/66/44/66/873664466.db2.gz PEFRJMCNIJGLCA-SFTDATJTSA-N 1 0 409.578 4.113 20 30 HIEDRO C=C(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000460955218 873852378 /nfs/dbraw/zinc/85/23/78/873852378.db2.gz DKNXNKUTQVPVGG-ZWKOTPCHSA-N 1 0 415.607 4.074 20 30 HIEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c1 ZINC000468639415 882772648 /nfs/dbraw/zinc/77/26/48/882772648.db2.gz SLUJKSOEXYDWLH-AHWVRZQESA-N 1 0 417.553 4.386 20 30 HIEDRO N#Cc1cccc(OCCCCC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000461448169 874506264 /nfs/dbraw/zinc/50/62/64/874506264.db2.gz KFZXEHSLANGGOF-RPWUZVMVSA-N 1 0 417.553 4.088 20 30 HIEDRO CC[N@@H+]1CC[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)[C@@H](C)C1 ZINC000461478748 874536696 /nfs/dbraw/zinc/53/66/96/874536696.db2.gz KFMQHOZJHXJDRU-LAUBAEHRSA-N 1 0 420.586 4.093 20 30 HIEDRO N#C[C@H]1CCC[C@H]1NC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)c(Cl)c1 ZINC000461952176 875082613 /nfs/dbraw/zinc/08/26/13/875082613.db2.gz ZVHISGRDXNKOQQ-VQIMIIECSA-N 1 0 409.361 4.293 20 30 HIEDRO N#Cc1cccc(-c2nnc(COc3ccc(OCC[NH+]4CCCCC4)cc3)o2)c1 ZINC000462693830 875784760 /nfs/dbraw/zinc/78/47/60/875784760.db2.gz UOHWHPMDBMMMBO-UHFFFAOYSA-N 1 0 404.470 4.052 20 30 HIEDRO C=CCOc1cccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)c1 ZINC000462733734 875807256 /nfs/dbraw/zinc/80/72/56/875807256.db2.gz GGIJWSNRNOGLQX-FQEVSTJZSA-N 1 0 402.441 4.138 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)ccc1Cl ZINC000463210639 876269644 /nfs/dbraw/zinc/26/96/44/876269644.db2.gz OIKSLFBBGSDDDH-KSEOMHKRSA-N 1 0 417.981 4.301 20 30 HIEDRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC2CCC(C#N)CC2)CC1 ZINC000463237122 876294052 /nfs/dbraw/zinc/29/40/52/876294052.db2.gz KDOHBRLNCDJNQZ-UHFFFAOYSA-N 1 0 418.379 4.282 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000463595286 876706200 /nfs/dbraw/zinc/70/62/00/876706200.db2.gz LSGWEIXOCVFFEE-UHFFFAOYSA-N 1 0 409.530 4.034 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000463774987 876895342 /nfs/dbraw/zinc/89/53/42/876895342.db2.gz KDAPOQIOJXWRHE-IIBYNOLFSA-N 1 0 400.544 4.134 20 30 HIEDRO N#Cc1cccc(OCc2cccc(C(=O)N[C@@H]3CC[N@H+](CC4CCCC4)C3)c2)c1 ZINC000464322809 877510803 /nfs/dbraw/zinc/51/08/03/877510803.db2.gz CNNKUYLQUNAMOF-HSZRJFAPSA-N 1 0 403.526 4.132 20 30 HIEDRO N#Cc1ccc(OCc2cccc(C(=O)N[C@H]3CC[N@H+](CC4CCCC4)C3)c2)cc1 ZINC000464346573 877537599 /nfs/dbraw/zinc/53/75/99/877537599.db2.gz NEOGCJNFBTYKOY-QHCPKHFHSA-N 1 0 403.526 4.132 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000464416161 877623334 /nfs/dbraw/zinc/62/33/34/877623334.db2.gz GOCVXAVEWVMBFC-FPOVZHCZSA-N 1 0 408.542 4.385 20 30 HIEDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000503281483 912262748 /nfs/dbraw/zinc/26/27/48/912262748.db2.gz FLRYNCKDVIPROS-HXUWFJFHSA-N 1 0 406.530 4.185 20 30 HIEDRO CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000464788399 878036330 /nfs/dbraw/zinc/03/63/30/878036330.db2.gz JWTDDQGTAKWYGP-JOCHJYFZSA-N 1 0 419.504 4.021 20 30 HIEDRO C[C@H]1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC[N@@H+]1Cc1ccccc1 ZINC000464833513 878092916 /nfs/dbraw/zinc/09/29/16/878092916.db2.gz FAZAGLDHFZSOQR-NRFANRHFSA-N 1 0 414.553 4.334 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464839328 878101865 /nfs/dbraw/zinc/10/18/65/878101865.db2.gz PUMJGLVMTCNBRV-QZTJIDSGSA-N 1 0 422.598 4.032 20 30 HIEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000464850898 878125549 /nfs/dbraw/zinc/12/55/49/878125549.db2.gz PIMCZKHIYVSDGC-RTWAWAEBSA-N 1 0 422.548 4.057 20 30 HIEDRO C=CCc1cc(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000464984553 878333292 /nfs/dbraw/zinc/33/32/92/878333292.db2.gz NZHPLWSALXDRRM-HXUWFJFHSA-N 1 0 408.542 4.026 20 30 HIEDRO C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)CSCc3ccc(C#N)cc3)cc2)C1 ZINC000465199067 878603999 /nfs/dbraw/zinc/60/39/99/878603999.db2.gz XAAMGQWCRUPQMK-GOSISDBHSA-N 1 0 409.555 4.151 20 30 HIEDRO C=C(C)COc1cc(C[NH+]2CCC(C(=O)NC3CCCCC3)CC2)ccc1OC ZINC000512370597 921111438 /nfs/dbraw/zinc/11/14/38/921111438.db2.gz UJQZRRJLRCCZFG-UHFFFAOYSA-N 1 0 400.563 4.311 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000465720878 879295972 /nfs/dbraw/zinc/29/59/72/879295972.db2.gz OSAOILDHPXPCTG-RPBOFIJWSA-N 1 0 416.569 4.380 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2cccc(OC)c2)c2ccccc2Cl)CC1 ZINC000465854270 879499088 /nfs/dbraw/zinc/49/90/88/879499088.db2.gz HBJJIIXAGRNLDR-JOCHJYFZSA-N 1 0 413.949 4.388 20 30 HIEDRO CCC(CC)(CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccccc1 ZINC000466354790 880112144 /nfs/dbraw/zinc/11/21/44/880112144.db2.gz QZFHGVPYAANUHC-UHFFFAOYSA-N 1 0 406.574 4.389 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@]2(C)CCO[C@H]2C2CC2)cc1OC ZINC000466461101 880241397 /nfs/dbraw/zinc/24/13/97/880241397.db2.gz BKEPZAPUCMNAAY-PMACEKPBSA-N 1 0 410.352 4.317 20 30 HIEDRO COc1ccc([C@@H](CNC(=O)Nc2cc(C#N)ccc2OC(C)C)[NH+]2CCCC2)cc1 ZINC000503513212 912558370 /nfs/dbraw/zinc/55/83/70/912558370.db2.gz ZCSMNNRDDFKOEL-JOCHJYFZSA-N 1 0 422.529 4.313 20 30 HIEDRO C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)Nc2ncccc2OCCCC#N)C1 ZINC000466599991 880370217 /nfs/dbraw/zinc/37/02/17/880370217.db2.gz MVBFIAWGXSSZFS-LJQANCHMSA-N 1 0 421.545 4.318 20 30 HIEDRO CCN(C(=O)Nc1ncccc1OCCCC#N)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000466606371 880376303 /nfs/dbraw/zinc/37/63/03/880376303.db2.gz HMLHVFPQEWVKCV-CTNGQTDRSA-N 1 0 421.545 4.453 20 30 HIEDRO C[C@@H]1C[C@H](N(C)C(=O)Nc2ncccc2OCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000466606959 880376572 /nfs/dbraw/zinc/37/65/72/880376572.db2.gz KMWACVAQGRUPRZ-TZIWHRDSSA-N 1 0 421.545 4.281 20 30 HIEDRO CC(C)C1CCC([NH+]2CCN(C(=O)Nc3ncccc3OCCCC#N)CC2)CC1 ZINC000466610328 880380139 /nfs/dbraw/zinc/38/01/39/880380139.db2.gz LVIHCBBZNBEAGI-UHFFFAOYSA-N 1 0 413.566 4.128 20 30 HIEDRO CN(C)Cc1ccc(NCc2cn(C)nc2-c2ccc(C#N)cc2)cc1Br ZINC000466724257 880511338 /nfs/dbraw/zinc/51/13/38/880511338.db2.gz FKYJSZYTWAXGFA-UHFFFAOYSA-N 1 0 424.346 4.395 20 30 HIEDRO COc1cc(C[NH+]2CCC(c3ncc[nH]3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000467151039 880888983 /nfs/dbraw/zinc/88/89/83/880888983.db2.gz VNCJSXJPWUIYKB-UHFFFAOYSA-N 1 0 402.498 4.249 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2ccc(Sc3ccccc3Cl)nn2)CC1 ZINC000469103549 883195136 /nfs/dbraw/zinc/19/51/36/883195136.db2.gz ZHPQTUSJMWFHTL-UHFFFAOYSA-N 1 0 402.951 4.052 20 30 HIEDRO C[C@@H]1C[C@H](N(C)C(=O)c2cc(-c3cccc(C#N)c3)no2)CC[N@@H+]1Cc1ccccc1 ZINC000469225526 883326043 /nfs/dbraw/zinc/32/60/43/883326043.db2.gz RWSJFXYYQQBQNO-XMSQKQJNSA-N 1 0 414.509 4.338 20 30 HIEDRO N#CCCCN1C(=O)CCc2cc(NC3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000469334300 883444295 /nfs/dbraw/zinc/44/42/95/883444295.db2.gz VXDMYYBGKMGIRH-UHFFFAOYSA-N 1 0 402.542 4.346 20 30 HIEDRO CC1(C)Cc2cc(NC(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)ccc2O1 ZINC000469853714 884037231 /nfs/dbraw/zinc/03/72/31/884037231.db2.gz KTBOHEXPOYBMIE-UHFFFAOYSA-N 1 0 404.514 4.012 20 30 HIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000503753202 912815455 /nfs/dbraw/zinc/81/54/55/912815455.db2.gz WOWSHVTZCWIXMB-XMMPIXPASA-N 1 0 404.558 4.043 20 30 HIEDRO N#CCCN(C(=O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1)c1cccc(Cl)c1 ZINC000470197052 884506377 /nfs/dbraw/zinc/50/63/77/884506377.db2.gz GDASRPJEWLNSKK-UHFFFAOYSA-N 1 0 415.896 4.021 20 30 HIEDRO CC(C)[NH+](CCCNC(=O)NC1CCC(Oc2ccccc2C#N)CC1)C(C)C ZINC000470507828 884898020 /nfs/dbraw/zinc/89/80/20/884898020.db2.gz QEMQCSGPQZOOSK-UHFFFAOYSA-N 1 0 400.567 4.056 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC2([NH+](C)C)CCCCC2)cc1C ZINC000503950716 912879020 /nfs/dbraw/zinc/87/90/20/912879020.db2.gz ZXRGECNRFCPVLI-UHFFFAOYSA-N 1 0 407.562 4.075 20 30 HIEDRO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000470811057 885299556 /nfs/dbraw/zinc/29/95/56/885299556.db2.gz JQYGHNSQYNQVFN-ROUUACIJSA-N 1 0 411.468 4.058 20 30 HIEDRO COc1cc(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000470958145 885455207 /nfs/dbraw/zinc/45/52/07/885455207.db2.gz GRIGTTWSMXDMMG-XMMPIXPASA-N 1 0 419.569 4.310 20 30 HIEDRO N#Cc1ccc(C[N@@H+](CCC(=O)Nc2cc(N)ccc2F)Cc2cccc(F)c2)cc1 ZINC000470963058 885461543 /nfs/dbraw/zinc/46/15/43/885461543.db2.gz YNXUAXZBNPBSMU-UHFFFAOYSA-N 1 0 420.463 4.450 20 30 HIEDRO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000471004518 885505002 /nfs/dbraw/zinc/50/50/02/885505002.db2.gz HYCXDYZMWUOOPL-LJQANCHMSA-N 1 0 406.452 4.278 20 30 HIEDRO N#CCSc1ccccc1NC(=O)C[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000471017683 885520531 /nfs/dbraw/zinc/52/05/31/885520531.db2.gz IXFCLFAWPYMKGF-OAQYLSRUSA-N 1 0 409.555 4.003 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@H](c2ccc(C)cc2C)C1 ZINC000471021799 885528045 /nfs/dbraw/zinc/52/80/45/885528045.db2.gz ZEQXAKVZJQHIAO-NRFANRHFSA-N 1 0 422.573 4.058 20 30 HIEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000504059910 912966450 /nfs/dbraw/zinc/96/64/50/912966450.db2.gz FPYYXXGHKLRBBJ-IBGZPJMESA-N 1 0 402.542 4.486 20 30 HIEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccccc2Sc2ccccc2C#N)C1 ZINC000471564650 886275209 /nfs/dbraw/zinc/27/52/09/886275209.db2.gz UQWBLKNRGOUEFM-HXUWFJFHSA-N 1 0 423.582 4.282 20 30 HIEDRO COc1cccc([C@H]2[C@H](NC(=O)Nc3ccc(C#N)cc3Cl)CC[N@@H+]2C2CC2)c1 ZINC000471930754 886724425 /nfs/dbraw/zinc/72/44/25/886724425.db2.gz QQGXODVTYGVAEI-RTWAWAEBSA-N 1 0 410.905 4.320 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCS[C@@H](C(C)C)C2)c1C#N ZINC000472243127 887052608 /nfs/dbraw/zinc/05/26/08/887052608.db2.gz QTNHLTURGOMTMW-HXUWFJFHSA-N 1 0 414.575 4.020 20 30 HIEDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](CCC(C#N)(c2ccccc2)c2ccccc2)C1 ZINC000472570307 887456492 /nfs/dbraw/zinc/45/64/92/887456492.db2.gz NGQBNOJRZPOAGU-QFIPXVFZSA-N 1 0 403.570 4.371 20 30 HIEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000472697092 887549974 /nfs/dbraw/zinc/54/99/74/887549974.db2.gz HGBORKRTABTMQI-QHCPKHFHSA-N 1 0 422.529 4.315 20 30 HIEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 ZINC000472753851 887599419 /nfs/dbraw/zinc/59/94/19/887599419.db2.gz QAEJAMMYNYYWRU-ROUUACIJSA-N 1 0 404.580 4.045 20 30 HIEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000472855294 887710554 /nfs/dbraw/zinc/71/05/54/887710554.db2.gz WIOWBOUNHICBRP-UHFFFAOYSA-N 1 0 419.569 4.258 20 30 HIEDRO N#CCCCn1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000473295737 888048251 /nfs/dbraw/zinc/04/82/51/888048251.db2.gz QSOHNFWGNJGAKC-OAQYLSRUSA-N 1 0 400.526 4.197 20 30 HIEDRO N#Cc1cccc(OCc2ccoc2C(=O)NC2CC[NH+](C3CCCCC3)CC2)c1 ZINC000473545513 888283365 /nfs/dbraw/zinc/28/33/65/888283365.db2.gz BRNIEWCHABOCPB-UHFFFAOYSA-N 1 0 407.514 4.257 20 30 HIEDRO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cc2cccc(F)c2o1 ZINC000473867465 888724166 /nfs/dbraw/zinc/72/41/66/888724166.db2.gz UPYZZYDZNNTQHR-QGZVFWFLSA-N 1 0 420.488 4.422 20 30 HIEDRO N#Cc1ccc(Oc2cccc(C(=O)NC3CC[NH+](Cc4cccnc4)CC3)c2)cc1 ZINC000473905896 888781376 /nfs/dbraw/zinc/78/13/76/888781376.db2.gz ONMGKQCGBLKFRB-UHFFFAOYSA-N 1 0 412.493 4.140 20 30 HIEDRO COc1ccc([C@@H](CNC(=O)C[C@H](CC#N)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000474197519 889035616 /nfs/dbraw/zinc/03/56/16/889035616.db2.gz LSBDFEKMCKXCHX-LADGPHEKSA-N 1 0 405.542 4.426 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474241144 889088745 /nfs/dbraw/zinc/08/87/45/889088745.db2.gz UFIOJJUBCODRKW-PZJWPPBQSA-N 1 0 422.598 4.083 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)N[C@H](C#N)c2cccc(Br)c2)cc1)C1CC1 ZINC000504547911 913324913 /nfs/dbraw/zinc/32/49/13/913324913.db2.gz SYDUIXXCYHCSJM-HXUWFJFHSA-N 1 0 412.331 4.428 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000474520806 889389111 /nfs/dbraw/zinc/38/91/11/889389111.db2.gz SBSYTKVYPBQKIB-ZZYHAFTGSA-N 1 0 416.569 4.412 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000474520796 889389699 /nfs/dbraw/zinc/38/96/99/889389699.db2.gz SBSYTKVYPBQKIB-NHCUHLMSSA-N 1 0 416.569 4.412 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cc(Oc3cccc(Br)c3)ccn2)CC1 ZINC000474694613 889554563 /nfs/dbraw/zinc/55/45/63/889554563.db2.gz CGWUYWUCXGPYNR-UHFFFAOYSA-N 1 0 416.319 4.017 20 30 HIEDRO N#Cc1nnc2ccccc2c1NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000474793109 889648199 /nfs/dbraw/zinc/64/81/99/889648199.db2.gz ZBMKKYVCUSEGJN-UHFFFAOYSA-N 1 0 422.330 4.340 20 30 HIEDRO N#CC[C@H](CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccccc1 ZINC000475169481 890036537 /nfs/dbraw/zinc/03/65/37/890036537.db2.gz KZBCAGUZOXYQDK-JOCHJYFZSA-N 1 0 402.542 4.245 20 30 HIEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C[C@H](CC#N)c2ccccc2)CC1 ZINC000475464469 890373106 /nfs/dbraw/zinc/37/31/06/890373106.db2.gz WEWTYPUTAQXUMH-CTNGQTDRSA-N 1 0 422.548 4.232 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@H](c2cccc(F)c2)C1 ZINC000475520674 890442600 /nfs/dbraw/zinc/44/26/00/890442600.db2.gz SJDPRROCJZPPKW-GMAHTHKFSA-N 1 0 408.521 4.107 20 30 HIEDRO N#Cc1ccccc1OC1CCC(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000476015786 890945389 /nfs/dbraw/zinc/94/53/89/890945389.db2.gz XNHCUHFGKIJHEY-UHFFFAOYSA-N 1 0 424.589 4.345 20 30 HIEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C[C@H](CC#N)c1ccccc1 ZINC000476483643 891394392 /nfs/dbraw/zinc/39/43/92/891394392.db2.gz AWSRQQKZHJQYNT-GOTSBHOMSA-N 1 0 405.542 4.293 20 30 HIEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)[C@@H](C)C1 ZINC000476809681 891795960 /nfs/dbraw/zinc/79/59/60/891795960.db2.gz UNVGPRUVDIXNPI-HTAPYJJXSA-N 1 0 419.529 4.005 20 30 HIEDRO Cn1cc(C[NH2+][C@@H]2CCCN(c3ccccc3Cl)C2)c(-c2ccc(C#N)cc2)n1 ZINC000478182546 893345520 /nfs/dbraw/zinc/34/55/20/893345520.db2.gz RPIPOODPFDNANP-HXUWFJFHSA-N 1 0 405.933 4.371 20 30 HIEDRO Cn1cc(CNc2cccc(C[NH+]3CCSCC3)c2)c(-c2ccc(C#N)cc2)n1 ZINC000478358183 893610487 /nfs/dbraw/zinc/61/04/87/893610487.db2.gz SPBGXWDZWYSCQY-UHFFFAOYSA-N 1 0 403.555 4.120 20 30 HIEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000479053183 894312669 /nfs/dbraw/zinc/31/26/69/894312669.db2.gz WFXINASVHWIZCK-DENIHFKCSA-N 1 0 401.510 4.439 20 30 HIEDRO N#CC1(NC(=O)c2ccc(Oc3ccccc3)nc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479216953 894480547 /nfs/dbraw/zinc/48/05/47/894480547.db2.gz NWOMIOYFQQODJB-UHFFFAOYSA-N 1 0 412.493 4.162 20 30 HIEDRO Cc1cc(C)c(C)c(OCCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000479249603 894514411 /nfs/dbraw/zinc/51/44/11/894514411.db2.gz RSVJSJPIDAKPDJ-UHFFFAOYSA-N 1 0 405.542 4.055 20 30 HIEDRO COc1ccc2c(c1)CCC[C@@H]2CC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479249540 894514723 /nfs/dbraw/zinc/51/47/23/894514723.db2.gz RODDUKUBFHIPDA-JOCHJYFZSA-N 1 0 417.553 4.180 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)c1 ZINC000479382485 894682572 /nfs/dbraw/zinc/68/25/72/894682572.db2.gz BGHXCBVRVURBDJ-IBGZPJMESA-N 1 0 417.431 4.283 20 30 HIEDRO C=C(C)[C@@H](NC(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1)c1ccc(F)c(F)c1 ZINC000479766502 895068484 /nfs/dbraw/zinc/06/84/84/895068484.db2.gz GMKWOMWVFDBVTM-JOCHJYFZSA-N 1 0 417.500 4.364 20 30 HIEDRO Cn1cc(C[NH2+]CCc2ccc(Br)s2)c(-c2ccc(C#N)cc2)n1 ZINC000479883727 895227383 /nfs/dbraw/zinc/22/73/83/895227383.db2.gz FYJJWNBHDWWNNA-UHFFFAOYSA-N 1 0 401.333 4.115 20 30 HIEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000479914824 895261817 /nfs/dbraw/zinc/26/18/17/895261817.db2.gz PDAJUGXVHSRQIG-UHFFFAOYSA-N 1 0 411.933 4.150 20 30 HIEDRO CCCCOc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)cc1OC ZINC000479978233 895331812 /nfs/dbraw/zinc/33/18/12/895331812.db2.gz JMHXRHINVKKSQV-UHFFFAOYSA-N 1 0 404.514 4.436 20 30 HIEDRO Cn1cc(C[NH2+]CCc2ccc(F)c(Br)c2)c(-c2ccc(C#N)cc2)n1 ZINC000480042591 895391398 /nfs/dbraw/zinc/39/13/98/895391398.db2.gz HDNLSYQUJVPRAW-UHFFFAOYSA-N 1 0 413.294 4.193 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c1 ZINC000480046239 895393599 /nfs/dbraw/zinc/39/35/99/895393599.db2.gz SIKAROSRMBPEGR-FQEVSTJZSA-N 1 0 401.869 4.057 20 30 HIEDRO C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000480293663 895699694 /nfs/dbraw/zinc/69/96/94/895699694.db2.gz QTNWPQVXHZGXLQ-GOSISDBHSA-N 1 0 419.529 4.197 20 30 HIEDRO C[C@H](NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000480347121 895752597 /nfs/dbraw/zinc/75/25/97/895752597.db2.gz IUNOXDRDOBMPDG-YCRPNKLZSA-N 1 0 422.920 4.210 20 30 HIEDRO C[C@@H](NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000480348580 895755341 /nfs/dbraw/zinc/75/53/41/895755341.db2.gz NKENPVBIFYCLKQ-QVKFZJNVSA-N 1 0 422.920 4.210 20 30 HIEDRO C[C@@H](O)[C@](C)(C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccccc1 ZINC000480451200 895839218 /nfs/dbraw/zinc/83/92/18/895839218.db2.gz CVQQFSAABNXWDX-NLFFAJNJSA-N 1 0 402.542 4.183 20 30 HIEDRO C=CCc1cc(C[NH2+]Cc2cccc(-c3nc(C(=O)OC)cs3)c2)cc(OC)c1O ZINC000480467758 895850479 /nfs/dbraw/zinc/85/04/79/895850479.db2.gz HDYOMJOOFBMKGI-UHFFFAOYSA-N 1 0 424.522 4.329 20 30 HIEDRO CC(C)OCC[NH+]1CCC(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000480507086 895875423 /nfs/dbraw/zinc/87/54/23/895875423.db2.gz UNNARBHBPWTWDP-UHFFFAOYSA-N 1 0 423.582 4.329 20 30 HIEDRO C=C(C)[C@@H]([NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(F)c(F)c1 ZINC000480701473 896062125 /nfs/dbraw/zinc/06/21/25/896062125.db2.gz UMYMUBVZBLGOBE-JOCHJYFZSA-N 1 0 420.525 4.333 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000505371167 914035064 /nfs/dbraw/zinc/03/50/64/914035064.db2.gz BUZUUEKLVNXYEJ-UHFFFAOYSA-N 1 0 423.557 4.066 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccccc1OC(F)F ZINC000480909118 896264990 /nfs/dbraw/zinc/26/49/90/896264990.db2.gz FUUGXFMTZKHQKI-UHFFFAOYSA-N 1 0 408.518 4.386 20 30 HIEDRO C=CCSc1ccccc1NC(=O)CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183954 896529698 /nfs/dbraw/zinc/52/96/98/896529698.db2.gz SRUSBLZIEGABDT-PZJWPPBQSA-N 1 0 409.599 4.403 20 30 HIEDRO C=C(C)C[N@@H+](C)CC(=O)N[C@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000481229603 896580021 /nfs/dbraw/zinc/58/00/21/896580021.db2.gz OKZLWCFOINSZLV-HXUWFJFHSA-N 1 0 416.447 4.295 20 30 HIEDRO C[C@@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000481320431 896675568 /nfs/dbraw/zinc/67/55/68/896675568.db2.gz HQCJKEXFSHOASX-MNOVXSKESA-N 1 0 418.353 4.424 20 30 HIEDRO CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CC(=O)Nc1ccccc1SCC#N ZINC000481462425 896855442 /nfs/dbraw/zinc/85/54/42/896855442.db2.gz XGUKLOSMQVNOFR-XOBRGWDASA-N 1 0 403.935 4.260 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2F)c1 ZINC000481620071 897003366 /nfs/dbraw/zinc/00/33/66/897003366.db2.gz CIHLHJBVRCWVRY-WOJBJXKFSA-N 1 0 408.477 4.025 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000481665753 897049959 /nfs/dbraw/zinc/04/99/59/897049959.db2.gz IKFIGUFGLZNOTP-DEOSSOPVSA-N 1 0 423.582 4.016 20 30 HIEDRO COc1cc(OC)cc(N2CC[C@@H](C[NH2+][C@H]3CCCCc4cc(C#N)ccc43)C2)c1 ZINC000481676760 897060050 /nfs/dbraw/zinc/06/00/50/897060050.db2.gz ZGUOWUNJNFUZSM-DFBJGRDBSA-N 1 0 405.542 4.459 20 30 HIEDRO C=CCOc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1OC ZINC000481894315 897271526 /nfs/dbraw/zinc/27/15/26/897271526.db2.gz ZNUPNNFTBJAAEA-DHIUTWEWSA-N 1 0 420.553 4.387 20 30 HIEDRO COc1c(Br)cccc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000481912115 897295564 /nfs/dbraw/zinc/29/55/64/897295564.db2.gz UXMHBJPTTKYRMQ-UHFFFAOYSA-N 1 0 414.347 4.037 20 30 HIEDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CCCCc4cc(C#N)ccc43)CC2)cc1 ZINC000481913508 897296117 /nfs/dbraw/zinc/29/61/17/897296117.db2.gz GGHHDABMUWRRJB-DEOSSOPVSA-N 1 0 423.582 4.077 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@@H]2[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000481930361 897314274 /nfs/dbraw/zinc/31/42/74/897314274.db2.gz WONFQNPEKATLOG-VWNXMTODSA-N 1 0 403.526 4.024 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)N[C@H](c1cccc2ccccc21)C(F)(F)F ZINC000482455445 898025268 /nfs/dbraw/zinc/02/52/68/898025268.db2.gz QHWDZOOJYGYLRW-LJQANCHMSA-N 1 0 406.452 4.320 20 30 HIEDRO COc1ccc(CNc2cc(NC(=O)C[N@@H+]3CCCC[C@H]3C)ccc2F)cc1C#N ZINC000482573302 898169022 /nfs/dbraw/zinc/16/90/22/898169022.db2.gz NCLLCXWCQHZQAA-MRXNPFEDSA-N 1 0 410.493 4.131 20 30 HIEDRO COc1ccc([C@@H](CCO)[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000482631991 898234655 /nfs/dbraw/zinc/23/46/55/898234655.db2.gz GLHMQAICORYXKO-RUZDIDTESA-N 1 0 402.494 4.359 20 30 HIEDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)nnn1-c1ccc(F)cc1 ZINC000482887930 898504850 /nfs/dbraw/zinc/50/48/50/898504850.db2.gz LPQZCIFWVBGSLI-DNVCBOLYSA-N 1 0 422.483 4.045 20 30 HIEDRO COc1cc(F)c([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1OC ZINC000482890757 898507763 /nfs/dbraw/zinc/50/77/63/898507763.db2.gz NSZHGEYEELKRNN-GOEBONIOSA-N 1 0 401.457 4.173 20 30 HIEDRO C=CCSc1ccccc1NC(=O)CN1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000482912686 898530574 /nfs/dbraw/zinc/53/05/74/898530574.db2.gz CWWHVUKUZBNILL-LJQANCHMSA-N 1 0 423.582 4.045 20 30 HIEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)c2)c1 ZINC000483230673 898873568 /nfs/dbraw/zinc/87/35/68/898873568.db2.gz PKCHLFOSPCUVBM-FQEVSTJZSA-N 1 0 416.525 4.404 20 30 HIEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(Oc4ccccc4C#N)c(F)c3)CC[C@@H]21 ZINC000483230961 898874640 /nfs/dbraw/zinc/87/46/40/898874640.db2.gz QPVXJTRGOQZEKF-XLIONFOSSA-N 1 0 408.477 4.438 20 30 HIEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC[C@@H]21 ZINC000483369707 899005959 /nfs/dbraw/zinc/00/59/59/899005959.db2.gz SXPFNEBJHPOZBZ-KNQAVFIVSA-N 1 0 422.504 4.224 20 30 HIEDRO N#Cc1c(NC(=O)CCN2CC[NH+](C3CCCCC3)CC2)sc2c1CCCCC2 ZINC000483502880 899162398 /nfs/dbraw/zinc/16/23/98/899162398.db2.gz TZAMTOUAKXCKCO-UHFFFAOYSA-N 1 0 414.619 4.168 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000483643353 899299920 /nfs/dbraw/zinc/29/99/20/899299920.db2.gz XGPNMBMSBTUZCV-INIZCTEOSA-N 1 0 400.523 4.473 20 30 HIEDRO C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505636356 914335973 /nfs/dbraw/zinc/33/59/73/914335973.db2.gz OZRTXOLAZZTBEU-SBUREZEXSA-N 1 0 400.482 4.167 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cc1F ZINC000483954518 899605510 /nfs/dbraw/zinc/60/55/10/899605510.db2.gz LCWKYYIWFXZGOV-OAHLLOKOSA-N 1 0 403.383 4.138 20 30 HIEDRO CC(C)[C@](C)([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(Br)cc1 ZINC000484328410 899883056 /nfs/dbraw/zinc/88/30/56/899883056.db2.gz ITDYRNCWTDZIFZ-SFHVURJKSA-N 1 0 406.349 4.482 20 30 HIEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)c(OC)c1 ZINC000484349980 899899279 /nfs/dbraw/zinc/89/92/79/899899279.db2.gz KUWFACFIQHGUPB-LPHOPBHVSA-N 1 0 401.469 4.074 20 30 HIEDRO C=CCn1c(SC[C@H]2CC[N@@H+](C)C2)nc2scc(-c3cccs3)c2c1=O ZINC000484480097 899971858 /nfs/dbraw/zinc/97/18/58/899971858.db2.gz KQEKMWWXYXCJNZ-ZDUSSCGKSA-N 1 0 403.598 4.416 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000484620082 900074941 /nfs/dbraw/zinc/07/49/41/900074941.db2.gz SKNWUCPXTNHUMZ-FYYLOGMGSA-N 1 0 422.573 4.268 20 30 HIEDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OCC ZINC000485235954 900520482 /nfs/dbraw/zinc/52/04/82/900520482.db2.gz WXKBLBHOABMCPU-LAUBAEHRSA-N 1 0 407.514 4.202 20 30 HIEDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1OCC ZINC000485235952 900520866 /nfs/dbraw/zinc/52/08/66/900520866.db2.gz WXKBLBHOABMCPU-DYESRHJHSA-N 1 0 407.514 4.202 20 30 HIEDRO C=CCSc1ccccc1C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000485460426 900756068 /nfs/dbraw/zinc/75/60/68/900756068.db2.gz IBEIMRUZQMDVLE-UHFFFAOYSA-N 1 0 415.647 4.233 20 30 HIEDRO C[NH+](C)CCOc1cccc(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)c1 ZINC000486494935 901647312 /nfs/dbraw/zinc/64/73/12/901647312.db2.gz DKFOXIQSRATNPR-UHFFFAOYSA-N 1 0 415.493 4.221 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000505910840 914554221 /nfs/dbraw/zinc/55/42/21/914554221.db2.gz DFTHIXHYXZCHSS-CTNGQTDRSA-N 1 0 421.541 4.457 20 30 HIEDRO CO[C@H](C)c1nc(CN2CCC[N@H+](Cc3ccccc3C(C)(C)C#N)CC2)cs1 ZINC000486782740 901851264 /nfs/dbraw/zinc/85/12/64/901851264.db2.gz YPLJSOUVXFHPJJ-GOSISDBHSA-N 1 0 412.603 4.360 20 30 HIEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(CC4CC4)no3)C2)cc1 ZINC000486825626 901878791 /nfs/dbraw/zinc/87/87/91/901878791.db2.gz NNDLKKORZAIYKT-DENIHFKCSA-N 1 0 415.459 4.446 20 30 HIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1 ZINC000486897019 901941086 /nfs/dbraw/zinc/94/10/86/901941086.db2.gz RZCBHSLICBMASX-GOSISDBHSA-N 1 0 407.823 4.121 20 30 HIEDRO Cc1ccc(-c2ccc(C[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)s2)cc1 ZINC000486909886 901957135 /nfs/dbraw/zinc/95/71/35/901957135.db2.gz WOIWWEAGGKAGQY-QFIPXVFZSA-N 1 0 401.535 4.486 20 30 HIEDRO Cc1nc(SCC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c(C#N)c(C)c1C ZINC000487802515 902374615 /nfs/dbraw/zinc/37/46/15/902374615.db2.gz GNHCOOGTHHRYLJ-FQEVSTJZSA-N 1 0 414.619 4.085 20 30 HIEDRO Cc1ccc([C@@H](CNC(=O)Nc2ccc(C#N)c(Br)c2)[NH+]2CCCC2)o1 ZINC000487838827 902398944 /nfs/dbraw/zinc/39/89/44/902398944.db2.gz NPGGNJPCBRCZLD-QGZVFWFLSA-N 1 0 417.307 4.181 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000488327468 902766428 /nfs/dbraw/zinc/76/64/28/902766428.db2.gz SXEIIAHAEXXHBN-QGZVFWFLSA-N 1 0 414.619 4.023 20 30 HIEDRO CCOc1ccc([C@H](CC)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OCC ZINC000488459973 902835468 /nfs/dbraw/zinc/83/54/68/902835468.db2.gz MAUWZTHIUYASJU-VXKWHMMOSA-N 1 0 421.541 4.197 20 30 HIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@H]3CCc4c3cc(Cl)cc4Cl)C2=O)cc1 ZINC000488505342 902860907 /nfs/dbraw/zinc/86/09/07/902860907.db2.gz MYYZEXFDUMTJHJ-VQTJNVASSA-N 1 0 400.309 4.243 20 30 HIEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000488650800 902920640 /nfs/dbraw/zinc/92/06/40/902920640.db2.gz CFNLLYQQNAFSIW-SFHVURJKSA-N 1 0 420.513 4.068 20 30 HIEDRO C=CC[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1)c1ccccc1 ZINC000489015855 903122567 /nfs/dbraw/zinc/12/25/67/903122567.db2.gz PZQCVCUWNSEZBZ-PKTZIBPZSA-N 1 0 405.542 4.151 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489851794 903630850 /nfs/dbraw/zinc/63/08/50/903630850.db2.gz IFPHKTKSFUYXRF-AUSIDOKSSA-N 1 0 422.529 4.203 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)sc2c1CCC2 ZINC000490060345 903749330 /nfs/dbraw/zinc/74/93/30/903749330.db2.gz WXMMGYIJCIISFR-UHFFFAOYSA-N 1 0 410.499 4.010 20 30 HIEDRO CC[NH+]1CCN(c2ccc(NCc3cn(C)nc3-c3ccc(C#N)cc3)c(C)c2)CC1 ZINC000490405589 903990748 /nfs/dbraw/zinc/99/07/48/903990748.db2.gz WBPZVSKFZTUJEQ-UHFFFAOYSA-N 1 0 414.557 4.021 20 30 HIEDRO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]([C@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)nc2c1 ZINC000492812745 904909977 /nfs/dbraw/zinc/90/99/77/904909977.db2.gz ZVWKYVNGRBWIFT-CVDCTZTESA-N 1 0 413.525 4.118 20 30 HIEDRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000506272435 914876269 /nfs/dbraw/zinc/87/62/69/914876269.db2.gz LKUMVISUYHUHCR-UHFFFAOYSA-N 1 0 417.532 4.208 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000493444531 905126620 /nfs/dbraw/zinc/12/66/20/905126620.db2.gz WCKYUFLDVQKKEQ-ILWGZMRPSA-N 1 0 405.542 4.331 20 30 HIEDRO N#Cc1c(C[N@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)cn2ccccc12 ZINC000493816832 905228147 /nfs/dbraw/zinc/22/81/47/905228147.db2.gz JDRJBYXRSIYGKZ-OAHLLOKOSA-N 1 0 424.430 4.252 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000493923543 905276006 /nfs/dbraw/zinc/27/60/06/905276006.db2.gz CFDANEXQZPAUKT-VHKYSDTDSA-N 1 0 406.498 4.049 20 30 HIEDRO CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000512449217 921169056 /nfs/dbraw/zinc/16/90/56/921169056.db2.gz DDFCLHVGORGNRK-OAQYLSRUSA-N 1 0 405.542 4.121 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494493618 905779781 /nfs/dbraw/zinc/77/97/81/905779781.db2.gz JJIDXCNNHMBEOO-ZKWAXGPOSA-N 1 0 422.287 4.451 20 30 HIEDRO COc1cc(C[NH2+][C@H](CO)c2sccc2C)ccc1OCc1cccc(C#N)c1 ZINC000494674583 905894100 /nfs/dbraw/zinc/89/41/00/905894100.db2.gz QMMAQAOCKZWXPR-HXUWFJFHSA-N 1 0 408.523 4.339 20 30 HIEDRO C[C@H](c1ccccc1)[N@H+](C)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000494766510 905963925 /nfs/dbraw/zinc/96/39/25/905963925.db2.gz AAIQAVCIEOANGR-UYAOXDASSA-N 1 0 420.557 4.049 20 30 HIEDRO N#CCCn1cc(C(=O)C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)c2ccccc21 ZINC000494915655 906088592 /nfs/dbraw/zinc/08/85/92/906088592.db2.gz DTSBGCFDZOPHBD-XMMPIXPASA-N 1 0 415.537 4.500 20 30 HIEDRO COc1cc(C)c(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1C ZINC000494975269 906141179 /nfs/dbraw/zinc/14/11/79/906141179.db2.gz WVIKWLYNYHEVAI-UHFFFAOYSA-N 1 0 406.530 4.232 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C1(c2cccc(Cl)c2)CCOCC1)C(C)C ZINC000496028376 906600411 /nfs/dbraw/zinc/60/04/11/906600411.db2.gz LDTWFFVFTVEXMK-OAQYLSRUSA-N 1 0 404.982 4.203 20 30 HIEDRO C[C@@H](NC(=O)NC1CCC(Oc2ccccc2C#N)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000496226296 906632810 /nfs/dbraw/zinc/63/28/10/906632810.db2.gz YGXWDCFHQNJAFB-GGOOSFECSA-N 1 0 420.557 4.239 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000496568613 906710400 /nfs/dbraw/zinc/71/04/00/906710400.db2.gz GDVVEURMAYAGDQ-HXUWFJFHSA-N 1 0 403.615 4.452 20 30 HIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3cccc(OC(F)(F)F)c3)CC2)c1 ZINC000512613130 921261055 /nfs/dbraw/zinc/26/10/55/921261055.db2.gz JVWYEVMLECDRPO-UHFFFAOYSA-N 1 0 403.404 4.308 20 30 HIEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)cc2F)cc1 ZINC000512619544 921264633 /nfs/dbraw/zinc/26/46/33/921264633.db2.gz MFTKOBWNNMTJMI-JKSUJKDBSA-N 1 0 403.523 4.140 20 30 HIEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000512644803 921272252 /nfs/dbraw/zinc/27/22/52/921272252.db2.gz VIJROEXBELJAND-UHFFFAOYSA-N 1 0 413.525 4.212 20 30 HIEDRO CC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000497593791 907075019 /nfs/dbraw/zinc/07/50/19/907075019.db2.gz JTOKKQIOJJIRNY-GCJKJVERSA-N 1 0 421.541 4.322 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000512710875 921294120 /nfs/dbraw/zinc/29/41/20/921294120.db2.gz BAUBCICPQNGDDQ-CTNGQTDRSA-N 1 0 424.589 4.275 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(OC[C@H]4CCCO4)cc3)CC2)c(F)c1 ZINC000512812740 921318001 /nfs/dbraw/zinc/31/80/01/921318001.db2.gz YJXNSRFCOQXKDF-JOCHJYFZSA-N 1 0 410.489 4.299 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1S[C@H](C)c1nc(C(C)(C)C)no1 ZINC000497927689 907394033 /nfs/dbraw/zinc/39/40/33/907394033.db2.gz MIYIFUOYFOBLBY-OAHLLOKOSA-N 1 0 404.584 4.026 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)c(F)c1 ZINC000512841039 921344533 /nfs/dbraw/zinc/34/45/33/921344533.db2.gz PYATTXMQFIDQHO-GOSISDBHSA-N 1 0 422.422 4.163 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000498222170 907750878 /nfs/dbraw/zinc/75/08/78/907750878.db2.gz QTFKRHNGBVXDED-UHFFFAOYSA-N 1 0 414.534 4.370 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000498399499 907881503 /nfs/dbraw/zinc/88/15/03/907881503.db2.gz GGQQQUGWNMNDEP-NFBKMPQASA-N 1 0 420.513 4.065 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C ZINC000498412367 907888810 /nfs/dbraw/zinc/88/88/10/907888810.db2.gz VJONUIUBDZVVDI-RTBURBONSA-N 1 0 421.589 4.178 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCCC[N@H+]2CCCC[C@H]2C)cc1C ZINC000498479446 907948576 /nfs/dbraw/zinc/94/85/76/907948576.db2.gz KUEMXRHWTNAQMM-OAQYLSRUSA-N 1 0 421.589 4.465 20 30 HIEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000498526086 907995149 /nfs/dbraw/zinc/99/51/49/907995149.db2.gz TZBRRSQGOATFOB-UHFFFAOYSA-N 1 0 407.489 4.438 20 30 HIEDRO COc1ccc(C[C@@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)c2ccc(OC)cc2)cc1 ZINC000499052241 908423161 /nfs/dbraw/zinc/42/31/61/908423161.db2.gz ILXAGAQWLCOCAS-XMMPIXPASA-N 1 0 415.493 4.088 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000499056427 908427437 /nfs/dbraw/zinc/42/74/37/908427437.db2.gz PAJZRGNQUYJGIX-SFTDATJTSA-N 1 0 415.459 4.271 20 30 HIEDRO COc1ccc(C[C@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)c2ccc(OC)cc2)cc1 ZINC000499060518 908429147 /nfs/dbraw/zinc/42/91/47/908429147.db2.gz VLAGBIHXPCSZAZ-DEOSSOPVSA-N 1 0 415.493 4.088 20 30 HIEDRO CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C[C@H]1C ZINC000499562869 908841728 /nfs/dbraw/zinc/84/17/28/908841728.db2.gz PNTKPKXBXXZAPG-SJORKVTESA-N 1 0 410.493 4.223 20 30 HIEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C[C@@H]1C ZINC000499562865 908842063 /nfs/dbraw/zinc/84/20/63/908842063.db2.gz PNTKPKXBXXZAPG-DLBZAZTESA-N 1 0 410.493 4.223 20 30 HIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000500862103 910136009 /nfs/dbraw/zinc/13/60/09/910136009.db2.gz LAHJADRSCVDCKA-WIYYLYMNSA-N 1 0 415.493 4.296 20 30 HIEDRO N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000513112459 921559255 /nfs/dbraw/zinc/55/92/55/921559255.db2.gz AFJFFGQWZNHMHR-XMMPIXPASA-N 1 0 411.505 4.142 20 30 HIEDRO C=C(CNC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000501088007 910287012 /nfs/dbraw/zinc/28/70/12/910287012.db2.gz NBFXSPCFLNBVPC-RXVVDRJESA-N 1 0 401.913 4.485 20 30 HIEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000513165043 921594933 /nfs/dbraw/zinc/59/49/33/921594933.db2.gz HDMVZLYCTGLEQB-MRXNPFEDSA-N 1 0 413.389 4.444 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cc(F)c(F)c(F)c1F ZINC000502002793 910970308 /nfs/dbraw/zinc/97/03/08/910970308.db2.gz XSZQJPNXJFPTAK-UHFFFAOYSA-N 1 0 422.344 4.466 20 30 HIEDRO CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)ccn1)[NH+](C)C ZINC000502099612 911037384 /nfs/dbraw/zinc/03/73/84/911037384.db2.gz SDQKEFADRDOCOC-FQEVSTJZSA-N 1 0 419.356 4.489 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000502152944 911075038 /nfs/dbraw/zinc/07/50/38/911075038.db2.gz CWUFMUJTDNZVDL-OFNKIYASSA-N 1 0 409.578 4.072 20 30 HIEDRO Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502176330 911098908 /nfs/dbraw/zinc/09/89/08/911098908.db2.gz TYCUORRKGIQXAN-UHFFFAOYSA-N 1 0 400.482 4.372 20 30 HIEDRO C[C@H]1C[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000502193947 911134726 /nfs/dbraw/zinc/13/47/26/911134726.db2.gz YSQSPJOXORDXGU-CPJSRVTESA-N 1 0 414.553 4.410 20 30 HIEDRO COc1ccc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1OCCCC#N ZINC000502327778 911304195 /nfs/dbraw/zinc/30/41/95/911304195.db2.gz SCSMRRKHZUFYLP-FQEVSTJZSA-N 1 0 408.546 4.290 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@H](C)C[C@@H]1c1ccccc1 ZINC000513258157 921662926 /nfs/dbraw/zinc/66/29/26/921662926.db2.gz VFFREVBQGRCKTG-VGOFRKELSA-N 1 0 408.546 4.035 20 30 HIEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000502473476 911465875 /nfs/dbraw/zinc/46/58/75/911465875.db2.gz QQNOXCFVNMPNBY-UHFFFAOYSA-N 1 0 421.507 4.355 20 30 HIEDRO N#Cc1cccc(OCc2ccoc2C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000513261252 921666564 /nfs/dbraw/zinc/66/65/64/921666564.db2.gz JIDIQKWDBUQUAE-JOCHJYFZSA-N 1 0 415.493 4.125 20 30 HIEDRO COc1ccc(C[N@@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)CC2CC2)c(OC)c1 ZINC000503207955 912189025 /nfs/dbraw/zinc/18/90/25/912189025.db2.gz UCJMQMBGGMDQAJ-UHFFFAOYSA-N 1 0 416.525 4.388 20 30 HIEDRO Cc1ccc([C@@H](OC[C@@H](O)C[N@@H+](C)Cc2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000506317617 914914225 /nfs/dbraw/zinc/91/42/25/914914225.db2.gz YXEGXZXFUXBCEA-UIOOFZCWSA-N 1 0 400.522 4.466 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000506477453 915080325 /nfs/dbraw/zinc/08/03/25/915080325.db2.gz BEBUMAHQDXIQSA-XZOQPEGZSA-N 1 0 410.606 4.137 20 30 HIEDRO C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 ZINC000506529782 915172306 /nfs/dbraw/zinc/17/23/06/915172306.db2.gz CTAOTXFEFVUBAS-SFHVURJKSA-N 1 0 405.517 4.277 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+][C@H](Cc3ccccn3)c3cccnc3)C2)c(F)c1 ZINC000513387921 921760220 /nfs/dbraw/zinc/76/02/20/921760220.db2.gz IOIPUCQYGYAXSL-FYYLOGMGSA-N 1 0 401.489 4.030 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)CC1 ZINC000506658575 915332016 /nfs/dbraw/zinc/33/20/16/915332016.db2.gz CBOUBLFIOBPZOS-UHFFFAOYSA-N 1 0 421.545 4.170 20 30 HIEDRO CC[C@H]([NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(OC)c(OC)c1 ZINC000506670042 915346143 /nfs/dbraw/zinc/34/61/43/915346143.db2.gz SDMKGONUQRRVMG-UZLBHIALSA-N 1 0 413.493 4.219 20 30 HIEDRO COc1ccccc1O[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2ccc(C#N)cc2)C1 ZINC000513406266 921775367 /nfs/dbraw/zinc/77/53/67/921775367.db2.gz OUTBHNCUDUUJCK-NRFANRHFSA-N 1 0 402.498 4.011 20 30 HIEDRO N#Cc1cnc2ccc(OC(F)F)cc2c1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000507132744 915882621 /nfs/dbraw/zinc/88/26/21/915882621.db2.gz VYDPUTRKOLJTKV-UHFFFAOYSA-N 1 0 408.452 4.420 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)C[C@@H]2OCCc3ccccc32)c1 ZINC000507225925 915979721 /nfs/dbraw/zinc/97/97/21/915979721.db2.gz ACHKRCZPVAUWSK-YKSBVNFPSA-N 1 0 405.542 4.184 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000507222867 915977451 /nfs/dbraw/zinc/97/74/51/915977451.db2.gz XDERNKOAIGWCMO-FQEVSTJZSA-N 1 0 419.550 4.102 20 30 HIEDRO C=CC[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccccc1 ZINC000507256454 916017380 /nfs/dbraw/zinc/01/73/80/916017380.db2.gz CUWLNBMZENPHQT-LOSJGSFVSA-N 1 0 418.581 4.391 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)CC1 ZINC000507622123 916380715 /nfs/dbraw/zinc/38/07/15/916380715.db2.gz QQWLZQLLKQJCLA-YGWFNULRSA-N 1 0 415.516 4.393 20 30 HIEDRO C[C@H]([NH2+]C1CCC(C#N)(c2ccccc2)CC1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000507622939 916380938 /nfs/dbraw/zinc/38/09/38/916380938.db2.gz WXQUSCJYRUOIEY-YQFJPLGNSA-N 1 0 417.553 4.399 20 30 HIEDRO COc1cc(CN2CC[C@H]([NH2+]C3CCC(C#N)(c4ccccc4)CC3)C2)cc(OC)c1 ZINC000507648327 916407370 /nfs/dbraw/zinc/40/73/70/916407370.db2.gz GBFCJXKZERRRSY-SBRHDKPSSA-N 1 0 419.569 4.272 20 30 HIEDRO CC[N@H+](CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)[C@H](C)c1ccc(C#N)cc1 ZINC000507689409 916462362 /nfs/dbraw/zinc/46/23/62/916462362.db2.gz SMEKFWWIRNPAFV-WZONZLPQSA-N 1 0 421.541 4.322 20 30 HIEDRO COc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c(OC(F)F)c1 ZINC000507726950 916520512 /nfs/dbraw/zinc/52/05/12/916520512.db2.gz RSWSGEKUTCGMHO-UHFFFAOYSA-N 1 0 403.429 4.043 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(Br)c(F)c3)CC2)nc1 ZINC000507772361 916557719 /nfs/dbraw/zinc/55/77/19/916557719.db2.gz QFHOFAQOEGQQED-UHFFFAOYSA-N 1 0 404.283 4.335 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000508252606 917071606 /nfs/dbraw/zinc/07/16/06/917071606.db2.gz QBFIFUHQXVVIFR-VQTJNVASSA-N 1 0 406.486 4.107 20 30 HIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 ZINC000508309904 917117208 /nfs/dbraw/zinc/11/72/08/917117208.db2.gz UOPJXAVXSRTCLA-UHFFFAOYSA-N 1 0 418.585 4.138 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508460861 917245367 /nfs/dbraw/zinc/24/53/67/917245367.db2.gz GCMKSLMVTZPWCR-RTWAWAEBSA-N 1 0 411.594 4.389 20 30 HIEDRO C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508470748 917256125 /nfs/dbraw/zinc/25/61/25/917256125.db2.gz DMPNFKFDSLCIGY-SFHVURJKSA-N 1 0 418.010 4.474 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508477082 917261795 /nfs/dbraw/zinc/26/17/95/917261795.db2.gz IYKNDYXDWWMFFC-HXUWFJFHSA-N 1 0 409.578 4.286 20 30 HIEDRO C=CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508506617 917291236 /nfs/dbraw/zinc/29/12/36/917291236.db2.gz FYXKTJVQSWENMT-SFHVURJKSA-N 1 0 413.541 4.055 20 30 HIEDRO COc1ccc(C[NH+]2CCC(CNC(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC2)cc1 ZINC000508553547 917330467 /nfs/dbraw/zinc/33/04/67/917330467.db2.gz QQIIEUXTCPIOBF-UHFFFAOYSA-N 1 0 423.532 4.012 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000508587740 917359320 /nfs/dbraw/zinc/35/93/20/917359320.db2.gz LUFHFQKGEFPDKU-NRFANRHFSA-N 1 0 417.431 4.350 20 30 HIEDRO C=CCn1c(-c2ccccc2Br)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000508714928 917477279 /nfs/dbraw/zinc/47/72/79/917477279.db2.gz MLNBIFZTLKEKHE-INIZCTEOSA-N 1 0 418.383 4.062 20 30 HIEDRO Cc1[nH]nc(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)c1C#N ZINC000508766967 917522872 /nfs/dbraw/zinc/52/28/72/917522872.db2.gz ARBDDSWZJMNSMD-LEWJYISDSA-N 1 0 419.916 4.098 20 30 HIEDRO C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000508813925 917567647 /nfs/dbraw/zinc/56/76/47/917567647.db2.gz RGNZJKBDOMKHTN-UHFFFAOYSA-N 1 0 411.594 4.442 20 30 HIEDRO C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000508831354 917583259 /nfs/dbraw/zinc/58/32/59/917583259.db2.gz BUKJMAIYWQNEJJ-NRFANRHFSA-N 1 0 404.562 4.095 20 30 HIEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508833680 917586234 /nfs/dbraw/zinc/58/62/34/917586234.db2.gz QKWQBNNMQNPINF-UHFFFAOYSA-N 1 0 402.546 4.134 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2ccc3ccccc3c2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508840876 917592886 /nfs/dbraw/zinc/59/28/86/917592886.db2.gz NRDOQUALGWTHLB-LJQANCHMSA-N 1 0 417.557 4.432 20 30 HIEDRO C=CCn1c(COc2ccccc2CC)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508847742 917600887 /nfs/dbraw/zinc/60/08/87/917600887.db2.gz LJOMTGQUYRBXBV-IRLDBZIGSA-N 1 0 421.589 4.059 20 30 HIEDRO C=CCn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508884730 917638159 /nfs/dbraw/zinc/63/81/59/917638159.db2.gz JEFOICTZIIOZTD-IRLDBZIGSA-N 1 0 421.589 4.113 20 30 HIEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000508889088 917644332 /nfs/dbraw/zinc/64/43/32/917644332.db2.gz DEJUJNBVWBODEN-CYFREDJKSA-N 1 0 402.542 4.357 20 30 HIEDRO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508895013 917651069 /nfs/dbraw/zinc/65/10/69/917651069.db2.gz MTCJCSBTPRJIMC-MOPGFXCFSA-N 1 0 424.549 4.130 20 30 HIEDRO C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000508908562 917665433 /nfs/dbraw/zinc/66/54/33/917665433.db2.gz UITLWZXLGLGOKV-OAQYLSRUSA-N 1 0 423.605 4.012 20 30 HIEDRO C=CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000508914453 917671719 /nfs/dbraw/zinc/67/17/19/917671719.db2.gz UGALMHKZTHQOAG-LJQANCHMSA-N 1 0 423.605 4.118 20 30 HIEDRO C=CCn1c(-c2cccc(Br)c2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508930312 917688158 /nfs/dbraw/zinc/68/81/58/917688158.db2.gz KSRKVIJJUJRVIJ-INIZCTEOSA-N 1 0 418.383 4.062 20 30 HIEDRO C=CCn1c(Cc2cccc3ccccc32)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508952291 917708084 /nfs/dbraw/zinc/70/80/84/917708084.db2.gz PBVKYWPNYVMWIU-FQEVSTJZSA-N 1 0 403.574 4.376 20 30 HIEDRO C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC([NH+]2CCCC2)CC1 ZINC000508959569 917716472 /nfs/dbraw/zinc/71/64/72/917716472.db2.gz GJWNYDLUDRUVDK-UHFFFAOYSA-N 1 0 423.605 4.405 20 30 HIEDRO C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[NH+](CCC(C)(C)C)CC1 ZINC000508959535 917716569 /nfs/dbraw/zinc/71/65/69/917716569.db2.gz GENTYACNIUNKJB-VXKWHMMOSA-N 1 0 423.605 4.268 20 30 HIEDRO C=CCn1c(-c2cccc(C)n2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000509000777 917755052 /nfs/dbraw/zinc/75/50/52/917755052.db2.gz KMRMTRCWXBZYSG-HXUWFJFHSA-N 1 0 408.594 4.315 20 30 HIEDRO C=CCSCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000509181346 917891504 /nfs/dbraw/zinc/89/15/04/917891504.db2.gz VZNRUVUJJZGEHX-FUHWJXTLSA-N 1 0 415.525 4.307 20 30 HIEDRO CC[N@@H+]1CCC[C@@H](CN(C)c2ccc(C(F)(F)F)cc2C#N)[C@@H]1c1cnn(C)c1 ZINC000509597553 918247737 /nfs/dbraw/zinc/24/77/37/918247737.db2.gz BLFMMCCKRQDBME-MGPUTAFESA-N 1 0 405.468 4.220 20 30 HIEDRO C[NH+]1CCC2(CCCN2C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000509703989 918334470 /nfs/dbraw/zinc/33/44/70/918334470.db2.gz HTRDLLHYEKPWOZ-UHFFFAOYSA-N 1 0 418.541 4.424 20 30 HIEDRO N#Cc1cc(F)cc(C2(C(=O)NCc3ccc(C[NH+]4CCCCCC4)cc3)CC2)c1 ZINC000509802344 918408681 /nfs/dbraw/zinc/40/86/81/918408681.db2.gz GLIVOJVHCSKMDH-UHFFFAOYSA-N 1 0 405.517 4.421 20 30 HIEDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000510518025 918965103 /nfs/dbraw/zinc/96/51/03/918965103.db2.gz NLVSESCZYNYAFY-UHFFFAOYSA-N 1 0 400.526 4.463 20 30 HIEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1occc1COc1cccc(C#N)c1)[NH+](C)C ZINC000510539900 918984897 /nfs/dbraw/zinc/98/48/97/918984897.db2.gz OCDOBIWRCDRTNN-FDDCHVKYSA-N 1 0 417.509 4.460 20 30 HIEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[NH+](C)C ZINC000510554067 918998618 /nfs/dbraw/zinc/99/86/18/918998618.db2.gz SMVXXDFCIVCCHI-XXBNENTESA-N 1 0 415.541 4.193 20 30 HIEDRO N#Cc1cccc(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC000510891143 919388387 /nfs/dbraw/zinc/38/83/87/919388387.db2.gz BKRYQYBNZHQENT-LOSJGSFVSA-N 1 0 410.521 4.026 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+][C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1 ZINC000510995478 919552800 /nfs/dbraw/zinc/55/28/00/919552800.db2.gz DPNCHCVZXNFPPY-MYIFBMMKSA-N 1 0 401.554 4.214 20 30 HIEDRO N#Cc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000511136641 919752356 /nfs/dbraw/zinc/75/23/56/919752356.db2.gz JSCWFWFZMVXUTI-LJQANCHMSA-N 1 0 401.432 4.073 20 30 HIEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000511309836 919901191 /nfs/dbraw/zinc/90/11/91/919901191.db2.gz ZQJSSXLXCWOSIL-LJQANCHMSA-N 1 0 406.530 4.328 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000511322688 919913970 /nfs/dbraw/zinc/91/39/70/919913970.db2.gz RYGXNBSLMMBARL-LEWJYISDSA-N 1 0 404.514 4.080 20 30 HIEDRO N#CCCn1cc(C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)c2ccccc21 ZINC000511782161 920473520 /nfs/dbraw/zinc/47/35/20/920473520.db2.gz XEWBHLKLDQMIJI-PFATUAPWSA-N 1 0 413.521 4.242 20 30 HIEDRO CCN(CC)C(=O)C1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000512211447 920957472 /nfs/dbraw/zinc/95/74/72/920957472.db2.gz KDGILOABIURLGX-UHFFFAOYSA-N 1 0 405.542 4.218 20 30 HIEDRO C=CCOc1ccc(C[NH+]2CCC(C(=O)N3CCc4ccccc43)CC2)cc1OC ZINC000512280107 921035719 /nfs/dbraw/zinc/03/57/19/921035719.db2.gz VCORNZUFKXTPEM-UHFFFAOYSA-N 1 0 406.526 4.061 20 30 HIEDRO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000513536885 921875985 /nfs/dbraw/zinc/87/59/85/921875985.db2.gz QGXNXDMSQAUOJZ-UHFFFAOYSA-N 1 0 411.575 4.335 20 30 HIEDRO COc1ccc(Br)c(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)c1 ZINC000513665604 921988494 /nfs/dbraw/zinc/98/84/94/921988494.db2.gz GEYHYLYWTJDGGF-UHFFFAOYSA-N 1 0 400.320 4.088 20 30 HIEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cc1 ZINC000513711601 922030320 /nfs/dbraw/zinc/03/03/20/922030320.db2.gz KZPPCETVRLTKMN-UHFFFAOYSA-N 1 0 410.949 4.016 20 30 HIEDRO CCC1(CN[C@@H](C(=O)OC)c2cccc(C#N)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000513871447 922200241 /nfs/dbraw/zinc/20/02/41/922200241.db2.gz QXHCGDQROFLSJE-HSZRJFAPSA-N 1 0 405.542 4.054 20 30 HIEDRO CC[NH+](CC)Cc1ccc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)cc1 ZINC000514070450 922393210 /nfs/dbraw/zinc/39/32/10/922393210.db2.gz VVRNXFHZBNXQQI-QHCPKHFHSA-N 1 0 424.976 4.204 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H]2Cc2ccccc2C)cc1 ZINC000514173832 922511459 /nfs/dbraw/zinc/51/14/59/922511459.db2.gz HRRYNNZUKDCKKA-HSZRJFAPSA-N 1 0 405.542 4.348 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000514592976 922719608 /nfs/dbraw/zinc/71/96/08/922719608.db2.gz NWRWEQIVUKKIKD-QRWLVFNGSA-N 1 0 417.600 4.288 20 30 HIEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000514831407 922818345 /nfs/dbraw/zinc/81/83/45/922818345.db2.gz NAFDWVYOAGALLL-GCJKJVERSA-N 1 0 400.530 4.016 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[C@H]1c1cccs1 ZINC000514852999 922825782 /nfs/dbraw/zinc/82/57/82/922825782.db2.gz YQDNMLWIRUIWBK-KNQAVFIVSA-N 1 0 408.571 4.377 20 30 HIEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 ZINC000515147402 922950966 /nfs/dbraw/zinc/95/09/66/922950966.db2.gz LOGLIVQRLMSGGG-UHFFFAOYSA-N 1 0 416.997 4.151 20 30 HIEDRO N#Cc1c(NC(=O)C[NH2+][C@H](CCO)c2ccc(Cl)cc2)sc2c1CCCCC2 ZINC000515394005 923079554 /nfs/dbraw/zinc/07/95/54/923079554.db2.gz QWJJXEZYSSMPAB-GOSISDBHSA-N 1 0 417.962 4.194 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccc(F)c1 ZINC000517060612 923981659 /nfs/dbraw/zinc/98/16/59/923981659.db2.gz KDWLIBIOLATQRU-JOCHJYFZSA-N 1 0 419.460 4.309 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)CC1 ZINC000517310710 924095454 /nfs/dbraw/zinc/09/54/54/924095454.db2.gz VSEBVBRKIQISMG-UHFFFAOYSA-N 1 0 402.498 4.092 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)CC1 ZINC000517324500 924103828 /nfs/dbraw/zinc/10/38/28/924103828.db2.gz RWIGSPPYWBEPHQ-UHFFFAOYSA-N 1 0 423.605 4.471 20 30 HIEDRO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000517373730 924141303 /nfs/dbraw/zinc/14/13/03/924141303.db2.gz UPPZRNMDDXGJHB-UHFFFAOYSA-N 1 0 403.457 4.481 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)CC1 ZINC000517982148 926928157 /nfs/dbraw/zinc/92/81/57/926928157.db2.gz FGENLVGEJFOJOV-UHFFFAOYSA-N 1 0 405.951 4.064 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1cc(C)sc1C ZINC000518458561 927288730 /nfs/dbraw/zinc/28/87/30/927288730.db2.gz QLHJBENQOGADRY-UHFFFAOYSA-N 1 0 404.605 4.146 20 30 HIEDRO C[N@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC(=O)N(CCC#N)c1ccccc1 ZINC000518842156 927542138 /nfs/dbraw/zinc/54/21/38/927542138.db2.gz JGKBWUBUANJHGQ-UHFFFAOYSA-N 1 0 419.504 4.027 20 30 HIEDRO N#C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1cccc(C(F)(F)F)c1 ZINC000518849239 927554199 /nfs/dbraw/zinc/55/41/99/927554199.db2.gz VNXRGEGSXQDIBM-FXAWDEMLSA-N 1 0 419.422 4.438 20 30 HIEDRO N#Cc1cccc(OC2CC[NH+](Cc3cccc(C(=O)N4CCCCC4)c3)CC2)c1 ZINC000519202212 927825297 /nfs/dbraw/zinc/82/52/97/927825297.db2.gz FRMVOZGDIITLKK-UHFFFAOYSA-N 1 0 403.526 4.228 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(Oc3cc(C)cc(C)c3)cc2)CC1 ZINC000519289918 927864531 /nfs/dbraw/zinc/86/45/31/927864531.db2.gz FTGOTXGURSBOKR-UHFFFAOYSA-N 1 0 421.541 4.191 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)NC2(c3ccc(Br)cc3)CCCC2)CC1 ZINC000519302659 927871878 /nfs/dbraw/zinc/87/18/78/927871878.db2.gz KLWSKZRZRUBGOF-UHFFFAOYSA-N 1 0 406.368 4.168 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000519511563 928003143 /nfs/dbraw/zinc/00/31/43/928003143.db2.gz KERWVZRQHLCARK-QFIPXVFZSA-N 1 0 408.502 4.130 20 30 HIEDRO CC(C)C[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1ccc(C#N)cc1 ZINC000519908504 928142648 /nfs/dbraw/zinc/14/26/48/928142648.db2.gz ASRXAAMSLCYLAO-UHFFFAOYSA-N 1 0 418.541 4.172 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cccc(Cl)c1Cl ZINC000519922601 928156120 /nfs/dbraw/zinc/15/61/20/928156120.db2.gz PZOBMRKDLCRXFM-UHFFFAOYSA-N 1 0 405.329 4.138 20 30 HIEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000520109885 928316639 /nfs/dbraw/zinc/31/66/39/928316639.db2.gz UIBBXNLDBDAVSB-UHFFFAOYSA-N 1 0 406.530 4.223 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000520383039 928536452 /nfs/dbraw/zinc/53/64/52/928536452.db2.gz ZAETYOXKVGNFLD-RUZDIDTESA-N 1 0 418.541 4.475 20 30 HIEDRO C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000520649142 928699340 /nfs/dbraw/zinc/69/93/40/928699340.db2.gz XVKGVOKOBFSFBE-HZBHDWBUSA-N 1 0 413.443 4.371 20 30 HIEDRO C=CCOc1cccc(NC(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC000521211882 929063141 /nfs/dbraw/zinc/06/31/41/929063141.db2.gz YOJWRBLNFLDSFY-QGZVFWFLSA-N 1 0 412.509 4.025 20 30 HIEDRO C[C@H](NC(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1)c1ccc(C#N)cc1 ZINC000521808098 929466755 /nfs/dbraw/zinc/46/67/55/929466755.db2.gz CNDDVZIAKZWYAF-SFHVURJKSA-N 1 0 419.529 4.255 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000521810721 929468000 /nfs/dbraw/zinc/46/80/00/929468000.db2.gz ABBUQNWDJAACME-QGZVFWFLSA-N 1 0 409.559 4.262 20 30 HIEDRO N#Cc1cccc(OCCCCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c1 ZINC000521963229 929599353 /nfs/dbraw/zinc/59/93/53/929599353.db2.gz MZVSPAIFCISPKT-UHFFFAOYSA-N 1 0 405.542 4.410 20 30 HIEDRO COc1ccccc1CC1CC[NH+]([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 ZINC000524484896 929633963 /nfs/dbraw/zinc/63/39/63/929633963.db2.gz GTYJLVYEAIPHPR-IBGZPJMESA-N 1 0 423.532 4.424 20 30 HIEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000524637288 929748519 /nfs/dbraw/zinc/74/85/19/929748519.db2.gz VTUQSQWFBDDIGZ-IBGZPJMESA-N 1 0 421.589 4.126 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2ccc(Br)cc2)C(C)C)CC1 ZINC000524668979 929784058 /nfs/dbraw/zinc/78/40/58/929784058.db2.gz HSAJETDHXZWQIX-UHFFFAOYSA-N 1 0 408.384 4.410 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)CCCCOc2cccc(C#N)c2)[C@@H]1c1cccs1 ZINC000525039104 929995018 /nfs/dbraw/zinc/99/50/18/929995018.db2.gz FOHQIALLRJJMHP-AUSIDOKSSA-N 1 0 411.571 4.368 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OC(C)C)cc1 ZINC000525244372 930102870 /nfs/dbraw/zinc/10/28/70/930102870.db2.gz PBQLGKVFKBUGCC-MOPGFXCFSA-N 1 0 409.530 4.468 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)cc1OC ZINC000525708811 930412182 /nfs/dbraw/zinc/41/21/82/930412182.db2.gz CONLHVWPWKXMOT-KYNGSXCRSA-N 1 0 410.352 4.316 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(F)(F)F)c(Br)c2)CC1 ZINC000526065371 930517834 /nfs/dbraw/zinc/51/78/34/930517834.db2.gz OJNBPMQHZOPEGK-UHFFFAOYSA-N 1 0 406.246 4.240 20 30 HIEDRO N#C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000530638964 930783190 /nfs/dbraw/zinc/78/31/90/930783190.db2.gz MXBWDFYADRQJAF-IBGZPJMESA-N 1 0 403.404 4.176 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(Oc3ccccc3I)CC2)cc1 ZINC000531417023 931049508 /nfs/dbraw/zinc/04/95/08/931049508.db2.gz YAGHPOCNVAZKFJ-UHFFFAOYSA-N 1 0 418.278 4.206 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@@H]2CCN(c3ncccc3F)C2)c1 ZINC000531783328 931195848 /nfs/dbraw/zinc/19/58/48/931195848.db2.gz ZRARUAFUZVALOU-OAQYLSRUSA-N 1 0 402.473 4.040 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]C3CCN(CCc4ccc(F)cc4)CC3)C2)c(F)c1 ZINC000532225899 931361720 /nfs/dbraw/zinc/36/17/20/931361720.db2.gz NXXKVWPIRYCDMD-HSZRJFAPSA-N 1 0 424.539 4.102 20 30 HIEDRO Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c1C ZINC000532507186 931466709 /nfs/dbraw/zinc/46/67/09/931466709.db2.gz WEABWHBSBSGRGO-XLIONFOSSA-N 1 0 408.521 4.290 20 30 HIEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)C3CCOCC3)sc2C1 ZINC000532587746 931543682 /nfs/dbraw/zinc/54/36/82/931543682.db2.gz URYJPVGVYPWDCF-HNNXBMFYSA-N 1 0 403.592 4.210 20 30 HIEDRO COc1ccc([C@H]([NH2+]CCOc2ccc(C#N)cc2OC)c2ccc(F)cc2)cc1 ZINC000532702451 931597487 /nfs/dbraw/zinc/59/74/87/931597487.db2.gz JDEYAAZNILNGFQ-XMMPIXPASA-N 1 0 406.457 4.473 20 30 HIEDRO CN(CC(=O)NC[C@@H](c1c[nH]c2ccccc21)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000532753263 931622549 /nfs/dbraw/zinc/62/25/49/931622549.db2.gz QDOWAVYSHXPURI-XMMPIXPASA-N 1 0 422.532 4.420 20 30 HIEDRO C=CC[N@@H+](CCCn1c(=O)oc2ccc([N+](=O)[O-])cc21)Cc1ccc(Cl)s1 ZINC000532754018 931623226 /nfs/dbraw/zinc/62/32/26/931623226.db2.gz IVBAZHJHMMKKFU-UHFFFAOYSA-N 1 0 407.879 4.296 20 30 HIEDRO CCC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000532970896 931720200 /nfs/dbraw/zinc/72/02/00/931720200.db2.gz ACDHSLGBLKLVDJ-HBGVWJBISA-N 1 0 415.603 4.353 20 30 HIEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000533027807 931745105 /nfs/dbraw/zinc/74/51/05/931745105.db2.gz KGRMHXYABNQUHA-UHFFFAOYSA-N 1 0 417.488 4.266 20 30 HIEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000533047263 931752280 /nfs/dbraw/zinc/75/22/80/931752280.db2.gz HPJUHOKUFBYZPF-SFHVURJKSA-N 1 0 422.460 4.014 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(c3c[nH]c4ncccc34)CC2)cc1Cl ZINC000533059366 931757946 /nfs/dbraw/zinc/75/79/46/931757946.db2.gz CSUWHWYENHNJKS-UHFFFAOYSA-N 1 0 407.905 4.296 20 30 HIEDRO Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCCc2cc(-c3cccc(F)c3)n[nH]2)c(C#N)c1C ZINC000533279079 931826047 /nfs/dbraw/zinc/82/60/47/931826047.db2.gz AIXOYBMZELOSBI-OAHLLOKOSA-N 1 0 423.492 4.189 20 30 HIEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000533379927 931853705 /nfs/dbraw/zinc/85/37/05/931853705.db2.gz AASMPZIJPIWIFD-GOSISDBHSA-N 1 0 401.514 4.078 20 30 HIEDRO COc1cc(CN2CCC[C@H]2C[NH+]2CCCC2)ccc1OCc1cccc(C#N)c1 ZINC000533401071 931858791 /nfs/dbraw/zinc/85/87/91/931858791.db2.gz RPGGCKVMOOMKLM-QHCPKHFHSA-N 1 0 405.542 4.206 20 30 HIEDRO CCC[N@H+](CCC(=O)Nc1sccc1C#N)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000533411800 931861077 /nfs/dbraw/zinc/86/10/77/931861077.db2.gz CWKJFKQUCXUJKA-NRFANRHFSA-N 1 0 410.587 4.325 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000533408915 931861105 /nfs/dbraw/zinc/86/11/05/931861105.db2.gz MEJSNWGGQADHOA-ROUUACIJSA-N 1 0 414.619 4.023 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C[C@H](C)O)C2CCCCC2)c1C#N ZINC000533424629 931864057 /nfs/dbraw/zinc/86/40/57/931864057.db2.gz CELNTVMMJLPUSK-INIZCTEOSA-N 1 0 400.567 4.046 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@H](c3ccccc3)C[C@H]2C)c1C#N ZINC000533434992 931868095 /nfs/dbraw/zinc/86/80/95/931868095.db2.gz GPKQRYXAVXSQQH-DYESRHJHSA-N 1 0 416.525 4.434 20 30 HIEDRO N#Cc1ccc(CNCc2ccccc2C[NH+]2CCN(c3ccccc3)CC2)c(F)c1 ZINC000533449079 931872593 /nfs/dbraw/zinc/87/25/93/931872593.db2.gz GFMUEMRTGVFXGN-UHFFFAOYSA-N 1 0 414.528 4.309 20 30 HIEDRO CCc1ccc([C@@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C(C)C)cc1 ZINC000533471554 931877561 /nfs/dbraw/zinc/87/75/61/931877561.db2.gz WBAMIZOQLQFYBF-QHCPKHFHSA-N 1 0 401.514 4.232 20 30 HIEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000533524008 931893755 /nfs/dbraw/zinc/89/37/55/931893755.db2.gz BAKHRBVRHQBJJW-CQSZACIVSA-N 1 0 407.905 4.295 20 30 HIEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)C[N@H+](CCO)C2CCCCC2)c1C#N ZINC000533838626 932052892 /nfs/dbraw/zinc/05/28/92/932052892.db2.gz BYQOZVYMWFOAIK-UHFFFAOYSA-N 1 0 400.567 4.047 20 30 HIEDRO C=CCOc1ccccc1CNC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534222078 932341998 /nfs/dbraw/zinc/34/19/98/932341998.db2.gz CQYZNSYXRXCVJG-UHFFFAOYSA-N 1 0 419.569 4.449 20 30 HIEDRO N#Cc1ccc(NC(=O)CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1Cl ZINC000534230232 932350491 /nfs/dbraw/zinc/35/04/91/932350491.db2.gz SKIIUUFYBOUNHC-UHFFFAOYSA-N 1 0 422.960 4.138 20 30 HIEDRO CC[C@H](C)n1ncc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C1CC1 ZINC000534252492 932366061 /nfs/dbraw/zinc/36/60/61/932366061.db2.gz URCWKYXJLFPZDJ-KRWDZBQOSA-N 1 0 408.550 4.199 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[N@@H+](Cc3ccc(C(N)=O)cc3)C3CC3)c2)c1 ZINC000534340408 932386215 /nfs/dbraw/zinc/38/62/15/932386215.db2.gz BJJLKWIKLCVNLD-UHFFFAOYSA-N 1 0 411.505 4.401 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(-c2ccccn2)ccc1Cl ZINC000534366223 932398164 /nfs/dbraw/zinc/39/81/64/932398164.db2.gz RVUAKNDVUNWYDG-UHFFFAOYSA-N 1 0 418.928 4.478 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)Cc1ccccc1 ZINC000534524853 932545712 /nfs/dbraw/zinc/54/57/12/932545712.db2.gz FJLIXWMNGUFRJX-XMMPIXPASA-N 1 0 413.521 4.040 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1C ZINC000534990772 932878615 /nfs/dbraw/zinc/87/86/15/932878615.db2.gz ZWZBRKWEPSRNJW-UHFFFAOYSA-N 1 0 415.541 4.072 20 30 HIEDRO C=C(C)[C@@H](CC(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)OCC ZINC000535154713 932972379 /nfs/dbraw/zinc/97/23/79/932972379.db2.gz PRSXIKYPBZAJRR-HXUWFJFHSA-N 1 0 412.496 4.500 20 30 HIEDRO Cc1c(C#N)cccc1NC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000535678299 933329621 /nfs/dbraw/zinc/32/96/21/933329621.db2.gz XXOZLDMYQCZNOQ-UZLBHIALSA-N 1 0 400.885 4.474 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(OC4CCCCC4)nc3)CC2)cc1 ZINC000537293515 933700819 /nfs/dbraw/zinc/70/08/19/933700819.db2.gz VNZHCALFDHNCCW-UHFFFAOYSA-N 1 0 404.558 4.419 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3ccc(OCC(F)(F)F)cc3)CC2)cc1 ZINC000537296397 933702089 /nfs/dbraw/zinc/70/20/89/933702089.db2.gz AIDOMLCKQRVKFT-UHFFFAOYSA-N 1 0 403.448 4.254 20 30 HIEDRO CC1CC[NH+]([C@@H](CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)c2cccs2)CC1 ZINC000537302567 933705941 /nfs/dbraw/zinc/70/59/41/933705941.db2.gz XYBOTRVPISKJFD-NRFANRHFSA-N 1 0 419.554 4.008 20 30 HIEDRO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000562571303 945100069 /nfs/dbraw/zinc/10/00/69/945100069.db2.gz PJPHQDRKRRNAPK-SFHVURJKSA-N 1 0 407.518 4.235 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@]2(C)CCCc3ccccc32)c1C#N ZINC000537596299 938331181 /nfs/dbraw/zinc/33/11/81/938331181.db2.gz HUWUWOKOIDOTNN-RUZDIDTESA-N 1 0 416.525 4.398 20 30 HIEDRO CC[C@H]([NH2+]CC#Cc1ccccc1Cl)c1ccccc1OCC(=O)N1CCCC1 ZINC000538149834 938522132 /nfs/dbraw/zinc/52/21/32/938522132.db2.gz GEKZYIYXGSDVBE-QFIPXVFZSA-N 1 0 410.945 4.434 20 30 HIEDRO CC(C)[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccc(C(F)(F)F)c1 ZINC000538158580 938528288 /nfs/dbraw/zinc/52/82/88/938528288.db2.gz HTTNVQWWXKYJMM-IBGZPJMESA-N 1 0 410.461 4.338 20 30 HIEDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OCC ZINC000538166451 938533040 /nfs/dbraw/zinc/53/30/40/938533040.db2.gz ZRLVDAVZURQMEF-AWEZNQCLSA-N 1 0 401.894 4.298 20 30 HIEDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)Nc2sc(C)c(C)c2C#N)cc1OCC ZINC000538167826 938533653 /nfs/dbraw/zinc/53/36/53/938533653.db2.gz HKVAWRJUMWCSQW-AWEZNQCLSA-N 1 0 401.532 4.323 20 30 HIEDRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC(=O)NC2(C#N)CCCCC2)cc1 ZINC000538174220 938536281 /nfs/dbraw/zinc/53/62/81/938536281.db2.gz AWGGSMWSGBCQBG-QFIPXVFZSA-N 1 0 409.505 4.050 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000538176525 938537906 /nfs/dbraw/zinc/53/79/06/938537906.db2.gz TZMZLMOMBBDAFK-CQSZACIVSA-N 1 0 422.485 4.300 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)c1C#N ZINC000538186804 938542723 /nfs/dbraw/zinc/54/27/23/938542723.db2.gz BSCIRCCZYLLSKQ-YKSBVNFPSA-N 1 0 420.557 4.398 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)c1C#N ZINC000538276116 938581210 /nfs/dbraw/zinc/58/12/10/938581210.db2.gz GPVURPRRCUNDAY-NRFANRHFSA-N 1 0 410.566 4.141 20 30 HIEDRO C[C@@H]([NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1)c1cccc(C#N)c1 ZINC000538394017 938609905 /nfs/dbraw/zinc/60/99/05/938609905.db2.gz LILHCJCKPHXVFB-CQSZACIVSA-N 1 0 421.360 4.224 20 30 HIEDRO CCOc1cc(CCC[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)ccc1OC ZINC000538393881 938610158 /nfs/dbraw/zinc/61/01/58/938610158.db2.gz UJQPUDUKCQWQOJ-UHFFFAOYSA-N 1 0 407.558 4.152 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]Cc3cc(Cl)c4c(c3)OCCCO4)CC2)cc1 ZINC000538394015 938610160 /nfs/dbraw/zinc/61/01/60/938610160.db2.gz LIEVPKQDUCHRSH-UHFFFAOYSA-N 1 0 411.933 4.127 20 30 HIEDRO CCOc1cc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)ccc1OC(F)F ZINC000538397543 938610707 /nfs/dbraw/zinc/61/07/07/938610707.db2.gz MEHQSCYGCWZLCI-UHFFFAOYSA-N 1 0 415.484 4.313 20 30 HIEDRO C=CC[N@@H+](Cc1ccc(OC(C)C)c(OC)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000538731705 938695315 /nfs/dbraw/zinc/69/53/15/938695315.db2.gz HHODLHRUNGWQOX-GOSISDBHSA-N 1 0 407.518 4.207 20 30 HIEDRO C[C@H](Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000538755210 938703226 /nfs/dbraw/zinc/70/32/26/938703226.db2.gz FGZQCMVRXXRGCI-INIZCTEOSA-N 1 0 408.571 4.186 20 30 HIEDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1OC ZINC000539269165 938830633 /nfs/dbraw/zinc/83/06/33/938830633.db2.gz SHXBNABKIFZPNF-SRXHXZOOSA-N 1 0 401.551 4.064 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000539277459 938832219 /nfs/dbraw/zinc/83/22/19/938832219.db2.gz YERQPKPQHAHLQA-MRXNPFEDSA-N 1 0 416.456 4.239 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H](CCCO)c2ccccc2)c1C#N ZINC000539294180 938835328 /nfs/dbraw/zinc/83/53/28/938835328.db2.gz YEZULHOOKRWKEG-JOCHJYFZSA-N 1 0 408.546 4.134 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ccc(OCC2CC2)c(F)c1 ZINC000539328358 938842510 /nfs/dbraw/zinc/84/25/10/938842510.db2.gz VQXJSVUGEYWTPE-ZDUSSCGKSA-N 1 0 401.869 4.429 20 30 HIEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H](c1cccc(F)c1)C1CCCC1 ZINC000539334095 938843572 /nfs/dbraw/zinc/84/35/72/938843572.db2.gz MXVVYWRWVVSJBZ-HSZRJFAPSA-N 1 0 417.488 4.343 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1 ZINC000539337176 938844400 /nfs/dbraw/zinc/84/44/00/938844400.db2.gz OQQUHTYVLRPULD-QGZVFWFLSA-N 1 0 407.905 4.123 20 30 HIEDRO Cc1c([C@@H](C)[NH2+]CC(=O)Nc2ccc(C#N)c(Cl)c2)cnn1-c1ccc(F)cc1 ZINC000539369903 938850112 /nfs/dbraw/zinc/85/01/12/938850112.db2.gz RUQMOLGPWJWVPU-CYBMUJFWSA-N 1 0 411.868 4.134 20 30 HIEDRO CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000539457638 938863465 /nfs/dbraw/zinc/86/34/65/938863465.db2.gz GNDYVJKMZWZTSP-SFTDATJTSA-N 1 0 417.985 4.013 20 30 HIEDRO C[C@H]([NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000539490684 938867580 /nfs/dbraw/zinc/86/75/80/938867580.db2.gz HNOKUZGXRRYMEZ-YEJXKQKISA-N 1 0 411.889 4.051 20 30 HIEDRO CCOCCOc1cc(C)ccc1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000539496502 938868489 /nfs/dbraw/zinc/86/84/89/938868489.db2.gz ILHWRJLNXAUTGP-UHFFFAOYSA-N 1 0 407.558 4.036 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]CCOc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000539496783 938868922 /nfs/dbraw/zinc/86/89/22/938868922.db2.gz UUNUPKNOYIGTPV-UHFFFAOYSA-N 1 0 403.448 4.210 20 30 HIEDRO CC(C)[C@@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000539498795 938869273 /nfs/dbraw/zinc/86/92/73/938869273.db2.gz YQFFVXIVRUCUMP-RUZDIDTESA-N 1 0 405.542 4.281 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3c[nH]nc3-c3c(F)cccc3F)C2)c(F)c1 ZINC000539505036 938870129 /nfs/dbraw/zinc/87/01/29/938870129.db2.gz DYXPJCWDPVABMV-MRXNPFEDSA-N 1 0 411.431 4.124 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1OC ZINC000539817784 938941788 /nfs/dbraw/zinc/94/17/88/938941788.db2.gz NPRGRKGQXILEMX-FQEVSTJZSA-N 1 0 410.352 4.415 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@H+](C)CCc2ncc(C)s2)cc1OC ZINC000539824208 938946418 /nfs/dbraw/zinc/94/64/18/938946418.db2.gz DDFBJDOQHVCOTO-UHFFFAOYSA-N 1 0 411.365 4.462 20 30 HIEDRO CC[N@H+](Cc1cn(CCC#N)nc1-c1ccccc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000539827875 938949178 /nfs/dbraw/zinc/94/91/78/938949178.db2.gz LXKLAWYPRPZZDM-QHCPKHFHSA-N 1 0 413.525 4.091 20 30 HIEDRO C=C(C)COc1cc(C[NH+]2CCC(n3cc(Br)cn3)CC2)ccc1OC ZINC000539830716 938951176 /nfs/dbraw/zinc/95/11/76/938951176.db2.gz CJSQJLYSVBGFJZ-UHFFFAOYSA-N 1 0 420.351 4.446 20 30 HIEDRO C=CCOc1cccc(C[NH+]2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)c1 ZINC000539839276 938953746 /nfs/dbraw/zinc/95/37/46/938953746.db2.gz OOKYQSSPXYBISA-QGZVFWFLSA-N 1 0 420.509 4.066 20 30 HIEDRO CC[N@H+](CCC(=O)N(C)CCC#N)[C@H]1CCSc2ccc(Br)cc21 ZINC000540052813 939051249 /nfs/dbraw/zinc/05/12/49/939051249.db2.gz JFMVGBGGVGJMID-INIZCTEOSA-N 1 0 410.381 4.070 20 30 HIEDRO COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000540185829 939111008 /nfs/dbraw/zinc/11/10/08/939111008.db2.gz BNADXAOMMHAILK-OAHLLOKOSA-N 1 0 420.431 4.081 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(C#N)cc2)cc1Br ZINC000540364768 939211740 /nfs/dbraw/zinc/21/17/40/939211740.db2.gz CIUVFOLQIIYILM-CYBMUJFWSA-N 1 0 402.292 4.009 20 30 HIEDRO CC(C)(O)C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1 ZINC000540519919 939285549 /nfs/dbraw/zinc/28/55/49/939285549.db2.gz LSKKOIAIYNLMFS-UHFFFAOYSA-N 1 0 411.571 4.100 20 30 HIEDRO C[C@H]([NH2+]Cc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O)c1cccc(C#N)c1 ZINC000540596107 939315375 /nfs/dbraw/zinc/31/53/75/939315375.db2.gz NWESBILUEZXMHR-SFHVURJKSA-N 1 0 416.525 4.164 20 30 HIEDRO COc1ccc([C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)[NH+]2CCCCC2)cc1 ZINC000540694208 939341436 /nfs/dbraw/zinc/34/14/36/939341436.db2.gz NTAWTCFIPPSGHF-HSZRJFAPSA-N 1 0 403.526 4.207 20 30 HIEDRO Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000540925995 939418297 /nfs/dbraw/zinc/41/82/97/939418297.db2.gz SKDIRIYHIUTTQN-UHFFFAOYSA-N 1 0 402.473 4.461 20 30 HIEDRO Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000541026935 939434211 /nfs/dbraw/zinc/43/42/11/939434211.db2.gz JJEPHLQQBRGOHS-ROUUACIJSA-N 1 0 419.504 4.306 20 30 HIEDRO C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541158973 939480803 /nfs/dbraw/zinc/48/08/03/939480803.db2.gz QCIWCNFXGGXOGR-YADARESESA-N 1 0 420.557 4.038 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1)c1ccc(S(N)(=O)=O)cc1 ZINC000541175841 939484381 /nfs/dbraw/zinc/48/43/81/939484381.db2.gz GMZUXLAWSPYHBM-DLBZAZTESA-N 1 0 405.523 4.284 20 30 HIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c1C#N ZINC000541644595 939584727 /nfs/dbraw/zinc/58/47/27/939584727.db2.gz JHRPKZQYTMPBPC-SFHVURJKSA-N 1 0 418.545 4.092 20 30 HIEDRO CCCCSc1ccc(Cl)cc1C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000541758039 939622696 /nfs/dbraw/zinc/62/26/96/939622696.db2.gz KPGJJEJHJCQQTR-UHFFFAOYSA-N 1 0 405.955 4.231 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1)C(C)C ZINC000541787481 939630563 /nfs/dbraw/zinc/63/05/63/939630563.db2.gz QRNUECDVCDVQHW-ZLNRFVROSA-N 1 0 417.569 4.386 20 30 HIEDRO C[C@@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542013145 939684880 /nfs/dbraw/zinc/68/48/80/939684880.db2.gz GDEKVXJXYQVBGA-GOSISDBHSA-N 1 0 420.534 4.358 20 30 HIEDRO Cc1cc(N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000542102126 939714206 /nfs/dbraw/zinc/71/42/06/939714206.db2.gz PFMWOVTXGUKWLU-UHFFFAOYSA-N 1 0 415.453 4.178 20 30 HIEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(Cc1ccc(C#N)cc1)C1CC1 ZINC000542406122 939816149 /nfs/dbraw/zinc/81/61/49/939816149.db2.gz ZSCUTPNSMIHPTJ-PMACEKPBSA-N 1 0 416.569 4.389 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542533294 939838758 /nfs/dbraw/zinc/83/87/58/939838758.db2.gz LSZIEDMBXCCGCU-CEXWTWQISA-N 1 0 414.619 4.262 20 30 HIEDRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c1 ZINC000542860964 939863651 /nfs/dbraw/zinc/86/36/51/939863651.db2.gz ZIROHUBRRZPDDC-LJQANCHMSA-N 1 0 404.558 4.297 20 30 HIEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542942467 939882882 /nfs/dbraw/zinc/88/28/82/939882882.db2.gz QHQYYNGKYXGYAV-VGSWGCGISA-N 1 0 416.477 4.044 20 30 HIEDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543029178 939898563 /nfs/dbraw/zinc/89/85/63/939898563.db2.gz AEDBSMKSZYGXHB-KOSHJBKYSA-N 1 0 405.542 4.196 20 30 HIEDRO CCN(CC)C(=O)CCC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000543113957 939952729 /nfs/dbraw/zinc/95/27/29/939952729.db2.gz ROFNVIIRBTUMFE-UHFFFAOYSA-N 1 0 421.589 4.324 20 30 HIEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000543460291 940070191 /nfs/dbraw/zinc/07/01/91/940070191.db2.gz KUWNIWIEGXMZKB-GDBMZVCRSA-N 1 0 421.467 4.048 20 30 HIEDRO COCC[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccco1 ZINC000543461158 940070868 /nfs/dbraw/zinc/07/08/68/940070868.db2.gz VXRRMGAESSFIKY-KRWDZBQOSA-N 1 0 401.532 4.178 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000543585050 940119649 /nfs/dbraw/zinc/11/96/49/940119649.db2.gz FFYLVUZYEYEIKY-CVEARBPZSA-N 1 0 401.576 4.107 20 30 HIEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000543608365 940129460 /nfs/dbraw/zinc/12/94/60/940129460.db2.gz GKQANXPRUYOMFK-JKSUJKDBSA-N 1 0 412.921 4.347 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543875014 940221053 /nfs/dbraw/zinc/22/10/53/940221053.db2.gz CXBUVVMRESKZHX-KRWDZBQOSA-N 1 0 413.477 4.286 20 30 HIEDRO CCc1cnccc1[C@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 ZINC000543980982 940282317 /nfs/dbraw/zinc/28/23/17/940282317.db2.gz WTZNZEQHACIBQI-INIZCTEOSA-N 1 0 419.504 4.352 20 30 HIEDRO CS[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@H]1[NH+]1CCCC1 ZINC000544686976 940502569 /nfs/dbraw/zinc/50/25/69/940502569.db2.gz NIDMJTBBOCBVEY-DENIHFKCSA-N 1 0 423.607 4.361 20 30 HIEDRO Cc1ccccc1C([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1C ZINC000544895714 940522851 /nfs/dbraw/zinc/52/28/51/940522851.db2.gz NAXHKCRCFIKRKZ-UHFFFAOYSA-N 1 0 404.535 4.328 20 30 HIEDRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]Cc2cccc(C#N)c2)CC1 ZINC000546167918 940720118 /nfs/dbraw/zinc/72/01/18/940720118.db2.gz YSDFBYGKRZJKOP-UHFFFAOYSA-N 1 0 412.331 4.024 20 30 HIEDRO COc1cc(C#N)ccc1NC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000546708198 940871580 /nfs/dbraw/zinc/87/15/80/940871580.db2.gz XIDXIRRHCLIZTI-FOIQADDNSA-N 1 0 416.884 4.174 20 30 HIEDRO N#Cc1cc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)ccc1F ZINC000548420400 941102201 /nfs/dbraw/zinc/10/22/01/941102201.db2.gz XMQZPXIDHDJDJY-QGZVFWFLSA-N 1 0 419.422 4.224 20 30 HIEDRO N#CC1(c2ccccn2)CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1 ZINC000548798953 941124452 /nfs/dbraw/zinc/12/44/52/941124452.db2.gz VLFFOQPEJHISIA-QHCPKHFHSA-N 1 0 413.521 4.046 20 30 HIEDRO COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@H](C)[N@@H+]2CCC(C#N)(c2ccccc2)c2ccccc2)O1 ZINC000548934637 941130718 /nfs/dbraw/zinc/13/07/18/941130718.db2.gz MNBFOJPWGRTNFB-QVGHQYEOSA-N 1 0 418.537 4.070 20 30 HIEDRO CCN1CC[C@H]([NH2+]CCC(=O)Nc2sccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549116605 941161605 /nfs/dbraw/zinc/16/16/05/941161605.db2.gz GINISGMXXFHPEA-PKOBYXMFSA-N 1 0 420.941 4.166 20 30 HIEDRO CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CCC(Oc3ncccc3C#N)CC2)c2ccccc21 ZINC000549236101 941172964 /nfs/dbraw/zinc/17/29/64/941172964.db2.gz XFNDIWMISBYODG-BVISAALYSA-N 1 0 419.525 4.415 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000549248775 941174108 /nfs/dbraw/zinc/17/41/08/941174108.db2.gz XNKSAADWEDRZHV-GOSISDBHSA-N 1 0 413.541 4.198 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000549286197 941176938 /nfs/dbraw/zinc/17/69/38/941176938.db2.gz YDCYDNPADFYLHZ-INIZCTEOSA-N 1 0 405.949 4.482 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000549286055 941176940 /nfs/dbraw/zinc/17/69/40/941176940.db2.gz QQYMSWPDLNWTAH-IRLDBZIGSA-N 1 0 418.589 4.484 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000549287189 941177068 /nfs/dbraw/zinc/17/70/68/941177068.db2.gz HNOPBGVIQNUDHE-REWPJTCUSA-N 1 0 421.589 4.195 20 30 HIEDRO CCN1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549468465 941192970 /nfs/dbraw/zinc/19/29/70/941192970.db2.gz LGRYPXOEFYMLAD-OREJSRFESA-N 1 0 414.912 4.103 20 30 HIEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccccc2)C1 ZINC000549540621 941198695 /nfs/dbraw/zinc/19/86/95/941198695.db2.gz QMKPUKVGLKVXJP-JOCHJYFZSA-N 1 0 414.557 4.033 20 30 HIEDRO CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000549541982 941198794 /nfs/dbraw/zinc/19/87/94/941198794.db2.gz JIMWLLZMSSEUBJ-HNAYVOBHSA-N 1 0 416.447 4.270 20 30 HIEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000549667833 941203654 /nfs/dbraw/zinc/20/36/54/941203654.db2.gz IZDBVYNVOIKONK-UHFFFAOYSA-N 1 0 416.573 4.342 20 30 HIEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000549688493 941204581 /nfs/dbraw/zinc/20/45/81/941204581.db2.gz PBVBDIHXCLRLNL-HXUWFJFHSA-N 1 0 418.589 4.239 20 30 HIEDRO C=CCc1cc(C[NH2+][C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)cc(OC)c1O ZINC000549861620 941219080 /nfs/dbraw/zinc/21/90/80/941219080.db2.gz XIBXSWNCSLNRBV-KKSFZXQISA-N 1 0 412.505 4.110 20 30 HIEDRO COc1cc(C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)ccc1OCc1cccc(C#N)c1 ZINC000550063165 941277228 /nfs/dbraw/zinc/27/72/28/941277228.db2.gz IAEKQQYKISEUCP-RUZDIDTESA-N 1 0 408.542 4.376 20 30 HIEDRO N#Cc1cccc(C2([NH2+]CC(=O)NCc3ccccc3COc3ccccc3)CC2)c1 ZINC000551411366 941472400 /nfs/dbraw/zinc/47/24/00/941472400.db2.gz SEUZORUWLVQFJK-UHFFFAOYSA-N 1 0 411.505 4.032 20 30 HIEDRO Cc1ccc(S(=O)(=O)c2ccc(C[NH2+]C3(c4cccc(C#N)c4)CC3)cc2)cc1 ZINC000551712324 941530517 /nfs/dbraw/zinc/53/05/17/941530517.db2.gz DBZLTDIGYZQIKZ-UHFFFAOYSA-N 1 0 402.519 4.478 20 30 HIEDRO C=CCC[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1ccco1 ZINC000552253445 941614621 /nfs/dbraw/zinc/61/46/21/941614621.db2.gz DBAUWLYFUWTSBW-RXVVDRJESA-N 1 0 402.560 4.497 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+][C@@H]3CCOc4c(Br)cccc43)CC2)cc1 ZINC000552257585 941616026 /nfs/dbraw/zinc/61/60/26/941616026.db2.gz MLUQRMGEMINYKV-HXUWFJFHSA-N 1 0 412.331 4.403 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1Br ZINC000553202446 941848385 /nfs/dbraw/zinc/84/83/85/941848385.db2.gz RQZFMTDCBBUCDF-VXGBXAGGSA-N 1 0 420.307 4.217 20 30 HIEDRO N#Cc1cnc2c(F)cc(F)cc2c1N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553335214 941869429 /nfs/dbraw/zinc/86/94/29/941869429.db2.gz UASXKGSTNUQTGM-XMMPIXPASA-N 1 0 404.464 4.487 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1cccc(N2CCCC2)c1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000553409210 941880487 /nfs/dbraw/zinc/88/04/87/941880487.db2.gz OUNHCTLEDKAZTG-HOTGVXAUSA-N 1 0 408.571 4.386 20 30 HIEDRO CC[NH+](CC)[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000553542418 941905509 /nfs/dbraw/zinc/90/55/09/941905509.db2.gz FRWAZFVKZPPJKU-HSZRJFAPSA-N 1 0 409.505 4.150 20 30 HIEDRO N#Cc1cc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)ccc1OCC(F)(F)F ZINC000553675123 941942270 /nfs/dbraw/zinc/94/22/70/941942270.db2.gz PBEMSOYBLIINJG-GOSISDBHSA-N 1 0 403.404 4.102 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@H+](C)[C@@H]2CCCc3cc(OC)ccc32)cc1 ZINC000553832520 941979850 /nfs/dbraw/zinc/97/98/50/941979850.db2.gz KKTZSJMYAHSGNY-XMMPIXPASA-N 1 0 421.541 4.350 20 30 HIEDRO C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)CC[N@@H+](C2CCC2)C1 ZINC000553863278 941985988 /nfs/dbraw/zinc/98/59/88/941985988.db2.gz UEXDYQAOXMUWJC-IBGZPJMESA-N 1 0 403.526 4.491 20 30 HIEDRO N#Cc1c(NC(=O)CCN2CCC[N@@H+](C3CCCC3)CC2)sc2c1CCCCC2 ZINC000554890273 942310129 /nfs/dbraw/zinc/31/01/29/942310129.db2.gz MNPZNWMGKZYAKF-UHFFFAOYSA-N 1 0 414.619 4.168 20 30 HIEDRO N#Cc1ccc(C[NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)c(C(F)(F)F)c1 ZINC000555093510 942383641 /nfs/dbraw/zinc/38/36/41/942383641.db2.gz RXVGPIOVMACNPF-QGZVFWFLSA-N 1 0 411.786 4.265 20 30 HIEDRO CCN1CC[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000555126013 942393440 /nfs/dbraw/zinc/39/34/40/942393440.db2.gz PNLKSMJHPPWRGA-ZFWWWQNUSA-N 1 0 420.344 4.043 20 30 HIEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]Cc3cnc4ccc(C#N)cn34)s2)cc1 ZINC000556582866 942905860 /nfs/dbraw/zinc/90/58/60/942905860.db2.gz AYOQZVKBTLZLSX-AWEZNQCLSA-N 1 0 403.511 4.497 20 30 HIEDRO COc1cccc([C@@H]2[C@@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)CCN2C2CC2)c1 ZINC000556891481 942954487 /nfs/dbraw/zinc/95/44/87/942954487.db2.gz ZOLSJGYEXLIKOD-IZZNHLLZSA-N 1 0 416.569 4.103 20 30 HIEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C#N)ccc2Cl)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556954529 942978440 /nfs/dbraw/zinc/97/84/40/942978440.db2.gz BEKJQVINVXSMDD-IFXJQAMLSA-N 1 0 406.288 4.427 20 30 HIEDRO N#Cc1cc(F)cc(C2(C(=O)N3CCC4(CC[N@H+](Cc5ccccc5)C4)CC3)CC2)c1 ZINC000556956300 942979481 /nfs/dbraw/zinc/97/94/81/942979481.db2.gz LZEPMZWVVMTDKT-UHFFFAOYSA-N 1 0 417.528 4.244 20 30 HIEDRO N#Cc1cccc(C2(NC(=O)NC[C@@H](c3ccccc3Cl)[NH+]3CCCC3)CC2)c1 ZINC000557453946 943137015 /nfs/dbraw/zinc/13/70/15/943137015.db2.gz BQCVZDFBUQRJAP-NRFANRHFSA-N 1 0 408.933 4.337 20 30 HIEDRO C=CCC[C@H](NC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccccc1 ZINC000557798685 943294752 /nfs/dbraw/zinc/29/47/52/943294752.db2.gz VRLUFDZIYBLWBL-YKSBVNFPSA-N 1 0 419.569 4.152 20 30 HIEDRO C[C@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC[N@@H+](C2CCC2)C1 ZINC000557835975 943308188 /nfs/dbraw/zinc/30/81/88/943308188.db2.gz BLMBDKJCUSAXGD-LJQANCHMSA-N 1 0 403.526 4.084 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000558980594 943782410 /nfs/dbraw/zinc/78/24/10/943782410.db2.gz HUVAXFYJCBKOIP-SFHVURJKSA-N 1 0 417.985 4.255 20 30 HIEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000558980114 943782691 /nfs/dbraw/zinc/78/26/91/943782691.db2.gz DKPXEJNCPZPIRQ-OAQYLSRUSA-N 1 0 408.594 4.317 20 30 HIEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000559004246 943799971 /nfs/dbraw/zinc/79/99/71/943799971.db2.gz LSLCLWQUOFMRHD-OAQYLSRUSA-N 1 0 411.594 4.181 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000559022782 943807489 /nfs/dbraw/zinc/80/74/89/943807489.db2.gz RZIQGTJMIWSHRV-PUHATCMVSA-N 1 0 423.605 4.268 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000559056613 943817512 /nfs/dbraw/zinc/81/75/12/943817512.db2.gz UIHNIXFAKSGYBP-OAHLLOKOSA-N 1 0 416.447 4.276 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@H]1c1cccc3c1OCCO3)CCC2 ZINC000559728749 944038428 /nfs/dbraw/zinc/03/84/28/944038428.db2.gz CKEQTYZCZRKXNH-SFHVURJKSA-N 1 0 423.538 4.045 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CCN(C)c4ccccc4C3)sc2C1 ZINC000559976858 944106630 /nfs/dbraw/zinc/10/66/30/944106630.db2.gz QROUKDZRHZJNEP-MRXNPFEDSA-N 1 0 408.571 4.025 20 30 HIEDRO C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@H](CCC#N)c3ccccc3)cc2)CC1 ZINC000560082889 944152417 /nfs/dbraw/zinc/15/24/17/944152417.db2.gz VQCLCIMJTYVUBY-HSZRJFAPSA-N 1 0 406.530 4.004 20 30 HIEDRO CCC[N@@H+](CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)C[C@H]1CCCCO1 ZINC000561007330 944393934 /nfs/dbraw/zinc/39/39/34/944393934.db2.gz NNKODICOOOIVEE-HXUWFJFHSA-N 1 0 400.567 4.311 20 30 HIEDRO C[C@@H]([NH2+]C[C@H](O)COc1ccc(C#N)cc1)c1ccccc1OCc1ccccc1 ZINC000561126194 944467766 /nfs/dbraw/zinc/46/77/66/944467766.db2.gz QKNCKHOOTQTXRO-KNQAVFIVSA-N 1 0 402.494 4.228 20 30 HIEDRO C[NH+]1CCC(Oc2ccc(CNc3c(C#N)cnc4ccc(Cl)cc43)cc2)CC1 ZINC000561345768 944557804 /nfs/dbraw/zinc/55/78/04/944557804.db2.gz CCPAJFMXLFYQQN-UHFFFAOYSA-N 1 0 406.917 4.267 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCCCC)Cc2ccc(Cl)cc2)CC1 ZINC000561450308 944608447 /nfs/dbraw/zinc/60/84/47/944608447.db2.gz CSRQYSIOEDDBCJ-UHFFFAOYSA-N 1 0 419.997 4.016 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC(C)(C)C)c2ccc(Cl)cc2)CC1 ZINC000561452679 944610251 /nfs/dbraw/zinc/61/02/51/944610251.db2.gz LCPFPHXUNKTCJR-FQEVSTJZSA-N 1 0 419.997 4.090 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2cccc(C(=O)OC)c2)cc1OC ZINC000561973863 944881769 /nfs/dbraw/zinc/88/17/69/944881769.db2.gz GXCYDGIXWFPMGJ-UHFFFAOYSA-N 1 0 420.303 4.099 20 30 HIEDRO CC(C)[N@H+](C)CC1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000562095947 944936436 /nfs/dbraw/zinc/93/64/36/944936436.db2.gz NGAQEVGSQSVDMI-UHFFFAOYSA-N 1 0 407.518 4.330 20 30 HIEDRO CC(=O)NCC[N@H+](CCC(C#N)(c1ccccc1)c1ccccc1)C1CCSCC1 ZINC000564103939 945379905 /nfs/dbraw/zinc/37/99/05/945379905.db2.gz RRTPAJONXIBFOF-UHFFFAOYSA-N 1 0 421.610 4.220 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000564375231 945540782 /nfs/dbraw/zinc/54/07/82/945540782.db2.gz BNTQLXFNXWCVLB-QGZVFWFLSA-N 1 0 401.530 4.054 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000564393523 945552919 /nfs/dbraw/zinc/55/29/19/945552919.db2.gz NMXGGKLWEKFWFR-HCLVMJGWSA-N 1 0 408.571 4.054 20 30 HIEDRO COc1ccc(C[N@H+](CCC(=O)Nc2ccccc2C#N)[C@H](C)C2CC2)c(OC)c1 ZINC000566666413 946069321 /nfs/dbraw/zinc/06/93/21/946069321.db2.gz IZXSGASLVYVLAD-QGZVFWFLSA-N 1 0 407.514 4.205 20 30 HIEDRO C[N@H+](CCO)Cc1cc(NCc2cn(CCC#N)nc2-c2ccccc2)ccc1Cl ZINC000566878411 946144270 /nfs/dbraw/zinc/14/42/70/946144270.db2.gz VBTWWQXGQXUZIM-UHFFFAOYSA-N 1 0 423.948 4.153 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC3(CCC3)[C@H]2[C@@H]2CCCO2)sc2c1CCCCC2 ZINC000567087313 946237682 /nfs/dbraw/zinc/23/76/82/946237682.db2.gz PRGWEEZOPXCZDR-GHTZIAJQSA-N 1 0 413.587 4.251 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000568536823 946580465 /nfs/dbraw/zinc/58/04/65/946580465.db2.gz WDVJZNDUVVBKFZ-IRLDBZIGSA-N 1 0 418.589 4.484 20 30 HIEDRO COc1cc(-c2noc(C(C)(C)c3cc(F)cc(C#N)c3)n2)ccc1OCC[NH+](C)C ZINC000568693272 946658968 /nfs/dbraw/zinc/65/89/68/946658968.db2.gz HSBLBUGQEUDWDZ-UHFFFAOYSA-N 1 0 424.476 4.022 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(C4CCOCC4)CC3)sc2C1 ZINC000569185445 946835165 /nfs/dbraw/zinc/83/51/65/946835165.db2.gz LIEVJNWKRBCXHK-MRXNPFEDSA-N 1 0 415.603 4.212 20 30 HIEDRO Cc1ccc(S(=O)(=O)N[C@H](C[NH2+][C@@H](C)c2ccc(C#N)cc2)c2ccccc2)cc1 ZINC000570585159 947303811 /nfs/dbraw/zinc/30/38/11/947303811.db2.gz LSWRCQKNTMTARI-YADARESESA-N 1 0 419.550 4.237 20 30 HIEDRO COc1cc(C[NH2+]Cc2ccc(OCc3c(C)noc3C)c(OC)c2)ccc1C#N ZINC000570733673 947339860 /nfs/dbraw/zinc/33/98/60/947339860.db2.gz RTRVZEQPSLBBER-UHFFFAOYSA-N 1 0 407.470 4.049 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)c(C)c1OC ZINC000571033037 947446783 /nfs/dbraw/zinc/44/67/83/947446783.db2.gz DXQHHJOPCWYSOG-KGLIPLIRSA-N 1 0 413.543 4.112 20 30 HIEDRO C[C@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000571664890 947739654 /nfs/dbraw/zinc/73/96/54/947739654.db2.gz PZELIKNSDIZACB-BTYIYWSLSA-N 1 0 409.917 4.222 20 30 HIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+][C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000571986779 947826289 /nfs/dbraw/zinc/82/62/89/947826289.db2.gz QOIJYLWPKQSBNC-REVPJUDFSA-N 1 0 423.532 4.402 20 30 HIEDRO N#Cc1ccc(C[NH2+]CC(=O)Nc2cccc(Br)c2)c(C(F)(F)F)c1 ZINC000572565902 947949455 /nfs/dbraw/zinc/94/94/55/947949455.db2.gz PFQWTRKYGOSIOM-UHFFFAOYSA-N 1 0 412.209 4.068 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000573046649 948069855 /nfs/dbraw/zinc/06/98/55/948069855.db2.gz FVYZWDYETITASD-RXVVDRJESA-N 1 0 406.530 4.474 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000573253452 948123625 /nfs/dbraw/zinc/12/36/25/948123625.db2.gz OCGANIUPFLUGQB-VGSWGCGISA-N 1 0 411.571 4.369 20 30 HIEDRO CC(C)N1CC[C@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000574221830 948389939 /nfs/dbraw/zinc/38/99/39/948389939.db2.gz PPQMIIOLDVRZAX-UNMCSNQZSA-N 1 0 414.912 4.103 20 30 HIEDRO N#Cc1ccc(C[NH2+]CCc2ccc(OCC(F)(F)F)nc2)c(C(F)(F)F)c1 ZINC000574885039 948548579 /nfs/dbraw/zinc/54/85/79/948548579.db2.gz WNFOENYXZDLVTG-UHFFFAOYSA-N 1 0 403.326 4.245 20 30 HIEDRO CC1CC[NH+](CCCCNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)CC1 ZINC000576033620 948814569 /nfs/dbraw/zinc/81/45/69/948814569.db2.gz RMEOSFNHQWGUOF-UHFFFAOYSA-N 1 0 407.518 4.379 20 30 HIEDRO N#Cc1cc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc(Cl)n1 ZINC001164629780 719076192 /nfs/dbraw/zinc/07/61/92/719076192.db2.gz YZQKCHIDSALNDA-VQIMIIECSA-N 1 0 402.876 4.252 20 30 HIEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164628834 719089820 /nfs/dbraw/zinc/08/98/20/719089820.db2.gz OXGQIWUYJCALLE-LPHOPBHVSA-N 1 0 402.876 4.252 20 30 HIEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nc(C)c(C#N)cc2Cl)CC3)cs1 ZINC001164698530 719816453 /nfs/dbraw/zinc/81/64/53/719816453.db2.gz DLQYXPFOXSJGAY-UHFFFAOYSA-N 1 0 401.967 4.315 20 30 HIEDRO N#Cc1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c(Cl)cc1Cl ZINC001164707495 719903870 /nfs/dbraw/zinc/90/38/70/719903870.db2.gz RPTWGBQIMKDXOJ-UHFFFAOYSA-N 1 0 423.369 4.193 20 30 HIEDRO CCc1cccc(NC(=S)C(C(=O)c2ccc([N+](=O)[O-])cc2)[n+]2ccccc2)c1 ZINC000007746820 845404673 /nfs/dbraw/zinc/40/46/73/845404673.db2.gz HSXDQRCJUUQBSC-UHFFFAOYSA-O 1 0 406.487 4.496 20 30 HIEDRO CN(C)c1cc[n+](C(C(=O)c2ccc(F)c(F)c2)C(=S)Nc2ccccc2)cc1 ZINC000010170469 845625770 /nfs/dbraw/zinc/62/57/70/845625770.db2.gz MAKALLCBFMUGIJ-UHFFFAOYSA-O 1 0 412.485 4.369 20 30 HIEDRO C[N@H+](CCOc1ccccc1Cl)CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000015103523 846009499 /nfs/dbraw/zinc/00/94/99/846009499.db2.gz CSLBQTFAHCLCCM-UHFFFAOYSA-N 1 0 417.962 4.491 20 30 HIEDRO C=CCNC(=S)C(C(=O)c1cccc(Br)c1)[n+]1ccccc1CC ZINC000022687309 846604156 /nfs/dbraw/zinc/60/41/56/846604156.db2.gz BWPOWGFMJRCJDV-UHFFFAOYSA-O 1 0 404.353 4.013 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2cc(C)n(C)c2C)C(=S)NCc2ccccc2)cc1 ZINC000022730726 846610649 /nfs/dbraw/zinc/61/06/49/846610649.db2.gz GUJJOGYEAVVAPZ-UHFFFAOYSA-O 1 0 406.575 4.220 20 30 HIEDRO COc1ccc(NC(=S)C(C(=O)c2cc(C)n(C)c2C)[n+]2cccc(C)c2)cc1 ZINC000022731194 846611746 /nfs/dbraw/zinc/61/17/46/846611746.db2.gz JKGVWUXEHABVBU-UHFFFAOYSA-O 1 0 408.547 4.297 20 30 HIEDRO CCOc1ccc(C(=O)C(C(=S)NCCc2ccccc2)[n+]2ccccc2)cc1 ZINC000022735838 846612756 /nfs/dbraw/zinc/61/27/56/846612756.db2.gz ZMIQQDNDLWHAAL-UHFFFAOYSA-O 1 0 405.543 4.144 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccccc1Br)[n+]1ccccc1CC ZINC000022796735 846621998 /nfs/dbraw/zinc/62/19/98/846621998.db2.gz FPFHAOKPLBOQPW-UHFFFAOYSA-O 1 0 418.380 4.404 20 30 HIEDRO CCCNC(=S)C(C(=O)c1ccccc1Br)[n+]1ccc(CC)cc1 ZINC000022804457 846622807 /nfs/dbraw/zinc/62/28/07/846622807.db2.gz CESBJWQXCIZDGF-UHFFFAOYSA-O 1 0 406.369 4.237 20 30 HIEDRO C=CCc1cc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc(OC)c1OC ZINC000023487792 846707186 /nfs/dbraw/zinc/70/71/86/846707186.db2.gz IRJWNCGXEWQGCR-JOCHJYFZSA-N 1 0 424.541 4.008 20 30 HIEDRO C=CCc1cc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)cc(OC)c1OC ZINC000023487796 846707199 /nfs/dbraw/zinc/70/71/99/846707199.db2.gz IRJWNCGXEWQGCR-QFIPXVFZSA-N 1 0 424.541 4.008 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccccc2C)[n+]2ccc(N(C)C)cc2)c(C)[nH]1 ZINC000023603310 846727553 /nfs/dbraw/zinc/72/75/53/846727553.db2.gz DPXIWWVYMWFNDE-UHFFFAOYSA-O 1 0 407.563 4.344 20 30 HIEDRO Cc1cc(NC(=O)C2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)no1 ZINC000023630024 846733010 /nfs/dbraw/zinc/73/30/10/846733010.db2.gz AWAIZKDUKYPYLG-UHFFFAOYSA-N 1 0 400.482 4.372 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1 ZINC000026311339 847122868 /nfs/dbraw/zinc/12/28/68/847122868.db2.gz OHJRFHWCDPGXCQ-GOSISDBHSA-N 1 0 402.560 4.133 20 30 HIEDRO C=CCc1ccc(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c(OC)c1 ZINC000026950386 847225407 /nfs/dbraw/zinc/22/54/07/847225407.db2.gz IPTBFWRSRGGWON-UHFFFAOYSA-N 1 0 408.542 4.105 20 30 HIEDRO Cc1ccccc1[C@@H](OC[C@@H](O)C[N@@H+](C)Cc1cccc(C#N)c1)c1ccccc1 ZINC000027208188 847266602 /nfs/dbraw/zinc/26/66/02/847266602.db2.gz OLZZEWNCDIWWBL-AHWVRZQESA-N 1 0 400.522 4.466 20 30 HIEDRO N#CCCN(C(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)c1ccccc1 ZINC000027235857 847271387 /nfs/dbraw/zinc/27/13/87/847271387.db2.gz MIKNPLKNXHAZOB-UHFFFAOYSA-N 1 0 405.498 4.107 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(NC(=O)C(C)(C)C)cc1)[n+]1ccccc1 ZINC000027310942 847281565 /nfs/dbraw/zinc/28/15/65/847281565.db2.gz JAWADZYMNVQVIM-UHFFFAOYSA-O 1 0 410.563 4.063 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc2c(c1)CCO2)[n+]1ccc(C(C)(C)C)cc1 ZINC000027310008 847281894 /nfs/dbraw/zinc/28/18/94/847281894.db2.gz VLDAYUPMFIKLRM-UHFFFAOYSA-O 1 0 409.575 4.311 20 30 HIEDRO CCCCNC(=S)C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)[n+]1ccc(CC)cc1 ZINC000027326973 847283402 /nfs/dbraw/zinc/28/34/02/847283402.db2.gz SNPQJJJPTGSRIB-UHFFFAOYSA-O 1 0 400.524 4.082 20 30 HIEDRO CC(=O)c1c(C)[nH]c(C(=O)C(C(=S)Nc2ccc(C)cc2)[n+]2ccccc2)c1C ZINC000028793661 847461792 /nfs/dbraw/zinc/46/17/92/847461792.db2.gz LMUWIYFXJARWDK-UHFFFAOYSA-O 1 0 406.531 4.481 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc32)c1C#N ZINC000029486853 847569172 /nfs/dbraw/zinc/56/91/72/847569172.db2.gz AHJGZGBCSUUTLT-JOCHJYFZSA-N 1 0 402.498 4.176 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccc(Br)o1 ZINC000030215411 847689148 /nfs/dbraw/zinc/68/91/48/847689148.db2.gz OCEBUSUNKQAZTN-UHFFFAOYSA-N 1 0 422.348 4.315 20 30 HIEDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)cc1 ZINC000030558505 847736331 /nfs/dbraw/zinc/73/63/31/847736331.db2.gz RMVIXBIDKMTDSV-IRXDYDNUSA-N 1 0 416.591 4.230 20 30 HIEDRO COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccc(OCc2ccccc2C#N)cc1 ZINC000032243079 847993296 /nfs/dbraw/zinc/99/32/96/847993296.db2.gz BJPQEVNHNHIBDM-UHFFFAOYSA-N 1 0 415.493 4.460 20 30 HIEDRO N#Cc1ccccc1COc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000032476970 848036032 /nfs/dbraw/zinc/03/60/32/848036032.db2.gz HACGFTZSPQXTKW-QHCPKHFHSA-N 1 0 415.493 4.297 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1cccs1 ZINC000032486003 848037445 /nfs/dbraw/zinc/03/74/45/848037445.db2.gz DRPPIPKAHMRLBZ-OAQYLSRUSA-N 1 0 405.523 4.231 20 30 HIEDRO COc1c(Br)cc(C[NH2+]Cc2ccc(C#N)cc2)cc1Br ZINC000037505837 848174417 /nfs/dbraw/zinc/17/44/17/848174417.db2.gz DQACRRIPKCLHHA-UHFFFAOYSA-N 1 0 410.109 4.382 20 30 HIEDRO Cc1ccc(-c2noc([C@H](C)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)n2)cc1F ZINC000042684140 848344066 /nfs/dbraw/zinc/34/40/66/848344066.db2.gz YFVMYGHOGKEPGH-SFHVURJKSA-N 1 0 419.504 4.325 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(Cl)cc1Cl ZINC000042996995 848374362 /nfs/dbraw/zinc/37/43/62/848374362.db2.gz ADTHLBYVATTYJA-UHFFFAOYSA-N 1 0 405.329 4.138 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3cccc(OC(F)(F)F)c3)CC2)cc1 ZINC000044017966 848501742 /nfs/dbraw/zinc/50/17/42/848501742.db2.gz VBUWRCDTDMULHA-UHFFFAOYSA-N 1 0 418.419 4.197 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000045154977 848640489 /nfs/dbraw/zinc/64/04/89/848640489.db2.gz MEQHQDHONNEYKK-HSZRJFAPSA-N 1 0 402.498 4.014 20 30 HIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000045815170 848733953 /nfs/dbraw/zinc/73/39/53/848733953.db2.gz QATZIMLUJTVUQR-UHFFFAOYSA-N 1 0 407.967 4.240 20 30 HIEDRO CC(C)Oc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1 ZINC000046065848 848780208 /nfs/dbraw/zinc/78/02/08/848780208.db2.gz KTJDMGHZYKYFKQ-IBGZPJMESA-N 1 0 408.546 4.180 20 30 HIEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000046129832 848787984 /nfs/dbraw/zinc/78/79/84/848787984.db2.gz WRVXXPGRBCNJOU-PMACEKPBSA-N 1 0 404.558 4.378 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(-c2cccc(Cl)c2)on1 ZINC000053055782 849661143 /nfs/dbraw/zinc/66/11/43/849661143.db2.gz BWGCYYIEBJBYDL-UHFFFAOYSA-N 1 0 408.889 4.071 20 30 HIEDRO Cc1cc(C)c(NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(C)c1 ZINC000054454795 849871009 /nfs/dbraw/zinc/87/10/09/849871009.db2.gz FDZMDHFYFIPIRL-NRFANRHFSA-N 1 0 404.558 4.018 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)NC1(C#N)CCCCC1 ZINC000056153285 850258522 /nfs/dbraw/zinc/25/85/22/850258522.db2.gz FUPKRYGVTAXOBM-RTBURBONSA-N 1 0 418.541 4.321 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(OCc2ccccn2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000056201384 850282154 /nfs/dbraw/zinc/28/21/54/850282154.db2.gz KODSCDYXXDQLQI-QZTJIDSGSA-N 1 0 400.482 4.210 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(OCc2ccccn2)c1)C(=O)Nc1ccccc1C#N ZINC000056201371 850282613 /nfs/dbraw/zinc/28/26/13/850282613.db2.gz SSMMWYIEFLWQSM-ZWKOTPCHSA-N 1 0 400.482 4.210 20 30 HIEDRO C[N@H+](CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1-c1ccccc1 ZINC000060356470 851075404 /nfs/dbraw/zinc/07/54/04/851075404.db2.gz RFYLIMBAZTYRFT-UHFFFAOYSA-N 1 0 421.504 4.481 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]CC(C)(C)N2CCCCC2)cc1OC ZINC000060832689 851225980 /nfs/dbraw/zinc/22/59/80/851225980.db2.gz NNAXZHAVJIDZHA-UHFFFAOYSA-N 1 0 411.384 4.377 20 30 HIEDRO C=CCN(CCc1ccccc1)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000062474825 851559248 /nfs/dbraw/zinc/55/92/48/851559248.db2.gz INJUACMLXWMZAK-HSZRJFAPSA-N 1 0 407.558 4.272 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000063400194 851678256 /nfs/dbraw/zinc/67/82/56/851678256.db2.gz KVYIGRYVWXTBRT-HXUWFJFHSA-N 1 0 412.490 4.113 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000063402078 851678944 /nfs/dbraw/zinc/67/89/44/851678944.db2.gz GQLNNQYWJOVJCE-KDURUIRLSA-N 1 0 402.539 4.051 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000063401430 851679404 /nfs/dbraw/zinc/67/94/04/851679404.db2.gz CXHDDGVILQHOHO-UHFFFAOYSA-N 1 0 422.529 4.265 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC1 ZINC000437083237 862275816 /nfs/dbraw/zinc/27/58/16/862275816.db2.gz ONWPWPAITOYQAS-UHFFFAOYSA-N 1 0 412.484 4.180 20 30 HIEDRO COc1cc([C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc(OC)c1OC ZINC000437111758 862297406 /nfs/dbraw/zinc/29/74/06/862297406.db2.gz ROXKAGDZQGJUSS-MNNVXMFVSA-N 1 0 411.502 4.020 20 30 HIEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 ZINC000065473743 852148865 /nfs/dbraw/zinc/14/88/65/852148865.db2.gz YOPZMYZFJBKUEE-UHFFFAOYSA-N 1 0 406.530 4.440 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1ccc(-c2ccccc2)o1 ZINC000065930850 852322220 /nfs/dbraw/zinc/32/22/20/852322220.db2.gz VLUHMUMECVZPNP-UHFFFAOYSA-N 1 0 401.510 4.341 20 30 HIEDRO N#Cc1cnn(-c2ccccc2)c1NC(=O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000065949651 852330550 /nfs/dbraw/zinc/33/05/50/852330550.db2.gz WXGWGGLLRUGGGW-DEOSSOPVSA-N 1 0 421.504 4.256 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000097547290 852626129 /nfs/dbraw/zinc/62/61/29/852626129.db2.gz TURKLNNKUMAGGD-UHFFFAOYSA-N 1 0 424.504 4.426 20 30 HIEDRO COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 ZINC000105422645 852704280 /nfs/dbraw/zinc/70/42/80/852704280.db2.gz CNHGMLISGXPMAX-HXUWFJFHSA-N 1 0 413.905 4.395 20 30 HIEDRO CCN([C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 ZINC000108707060 852874177 /nfs/dbraw/zinc/87/41/77/852874177.db2.gz XVKWVRBKRNHGLN-LPHOPBHVSA-N 1 0 417.962 4.058 20 30 HIEDRO COc1ccc(-c2nc(CON=C(N)c3cccc(C[NH+]4CCCCC4)c3)co2)cc1 ZINC000109213440 852937188 /nfs/dbraw/zinc/93/71/88/852937188.db2.gz YIKOVDQHCDTSFN-UHFFFAOYSA-N 1 0 420.513 4.173 20 30 HIEDRO CCC[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H](C)C(=O)Nc1ccccc1 ZINC000110989256 853180702 /nfs/dbraw/zinc/18/07/02/853180702.db2.gz OPANPXWABKXKOV-MRXNPFEDSA-N 1 0 424.570 4.176 20 30 HIEDRO N#Cc1c(C[N@H+]2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cn2ccccc12 ZINC000110987926 853181370 /nfs/dbraw/zinc/18/13/70/853181370.db2.gz YFPFKKNJQPANBC-QGZVFWFLSA-N 1 0 401.445 4.380 20 30 HIEDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CCOCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000140274787 853440076 /nfs/dbraw/zinc/44/00/76/853440076.db2.gz OSODCMNJEYWLCE-HNNXBMFYSA-N 1 0 415.896 4.016 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1ccc(C)c([N+](=O)[O-])c1)C(=S)NC(C)(C)C ZINC000193725503 853669410 /nfs/dbraw/zinc/66/94/10/853669410.db2.gz NFAHWOMSQRHCMI-UHFFFAOYSA-O 1 0 400.524 4.080 20 30 HIEDRO COc1ccc([C@H](C)[NH2+]CCC(=O)Nc2sccc2C#N)cc1Br ZINC000216019030 853842510 /nfs/dbraw/zinc/84/25/10/853842510.db2.gz DFIDNKYRRHZLIG-NSHDSACASA-N 1 0 408.321 4.070 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)cc1F ZINC000217146746 853860260 /nfs/dbraw/zinc/86/02/60/853860260.db2.gz CYTFKMLOGXTBCX-OAHLLOKOSA-N 1 0 403.885 4.394 20 30 HIEDRO CC(C)Oc1ccc([C@H](O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)cc1 ZINC000236813937 853925974 /nfs/dbraw/zinc/92/59/74/853925974.db2.gz CGAMMVGUTLDSMF-HSZRJFAPSA-N 1 0 404.514 4.074 20 30 HIEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NCc1cccc(OCCCC#N)c1 ZINC000237054457 853957364 /nfs/dbraw/zinc/95/73/64/853957364.db2.gz FZXJPBYUIQXIMP-UHFFFAOYSA-N 1 0 408.546 4.132 20 30 HIEDRO C=C(C)CN1CCC([NH2+]Cc2cc(OC)c(OCc3ccccc3)c(OC)c2)CC1 ZINC000237112972 853966664 /nfs/dbraw/zinc/96/66/64/853966664.db2.gz GHPQLJRGXBDABO-UHFFFAOYSA-N 1 0 410.558 4.413 20 30 HIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)cc1 ZINC000237210931 853983555 /nfs/dbraw/zinc/98/35/55/853983555.db2.gz QUVAGRFGIOFMLS-SFHVURJKSA-N 1 0 400.473 4.006 20 30 HIEDRO COc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(OC(F)F)c1 ZINC000237324059 854006674 /nfs/dbraw/zinc/00/66/74/854006674.db2.gz LRSFUAPRFQWXNF-MRXNPFEDSA-N 1 0 405.420 4.066 20 30 HIEDRO N#CCCn1cc(C[NH2+]CC2(c3ccccc3)CCOCC2)c(-c2ccccc2)n1 ZINC000237829427 854105480 /nfs/dbraw/zinc/10/54/80/854105480.db2.gz BMHJZOLEAIIJSM-UHFFFAOYSA-N 1 0 400.526 4.302 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCCN(c3ccccc3)CC1)CCCC2 ZINC000302969325 854701818 /nfs/dbraw/zinc/70/18/18/854701818.db2.gz NSSYRGZEGIVMTD-UHFFFAOYSA-N 1 0 408.571 4.039 20 30 HIEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000303306307 854863116 /nfs/dbraw/zinc/86/31/16/854863116.db2.gz NVNAEJKKYHXCRM-KRWDZBQOSA-N 1 0 411.933 4.007 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000303377082 854899030 /nfs/dbraw/zinc/89/90/30/854899030.db2.gz LQGSIRBTSNIKSL-IBGZPJMESA-N 1 0 414.619 4.217 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000303516527 855004181 /nfs/dbraw/zinc/00/41/81/855004181.db2.gz YADVBQFGZZOQDE-VQTJNVASSA-N 1 0 422.598 4.083 20 30 HIEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[C@H](C)C1 ZINC000303593132 855066453 /nfs/dbraw/zinc/06/64/53/855066453.db2.gz IGNCPHUZUTUQHE-NTKDMRAZSA-N 1 0 421.541 4.217 20 30 HIEDRO Cc1ccc(CN(CC[NH+](C)C)C(=O)c2cccc(COc3cccc(C#N)c3)c2)o1 ZINC000303670973 855122407 /nfs/dbraw/zinc/12/24/07/855122407.db2.gz YPVLPFJRHZFTMW-UHFFFAOYSA-N 1 0 417.509 4.243 20 30 HIEDRO C[C@@H](NC(=[NH2+])NCC(=O)Nc1ccc(F)c(F)c1F)c1ccc(Cl)cc1Cl ZINC000303772876 855188899 /nfs/dbraw/zinc/18/88/99/855188899.db2.gz DUCWLXAAZMOCQO-MRVPVSSYSA-N 1 0 419.234 4.015 20 30 HIEDRO C=CCc1ccc(OCC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(OC)c1 ZINC000303775120 855191014 /nfs/dbraw/zinc/19/10/14/855191014.db2.gz RKBZRMGVIQZZAM-REWPJTCUSA-N 1 0 422.569 4.314 20 30 HIEDRO C[C@@H]1C[C@@H](N(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000303779078 855194182 /nfs/dbraw/zinc/19/41/82/855194182.db2.gz SDPOVJBERWJIEU-UTKZUKDTSA-N 1 0 410.949 4.135 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCc2ccc(OCc3ccccc3)c(OC)c2)cc1OC ZINC000303780206 855195131 /nfs/dbraw/zinc/19/51/31/855195131.db2.gz LDXRSHUHOPYNOD-UHFFFAOYSA-N 1 0 421.497 4.218 20 30 HIEDRO CCc1cccc(NC(=[NH2+])NC[C@@H]2CCN(c3ccc(Br)cc3)C2)c1 ZINC000303866402 855259707 /nfs/dbraw/zinc/25/97/07/855259707.db2.gz CHRIIKLNLIKURZ-INIZCTEOSA-N 1 0 401.352 4.265 20 30 HIEDRO Cc1nccn1-c1ccc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)cn1 ZINC000303892658 855273799 /nfs/dbraw/zinc/27/37/99/855273799.db2.gz NVLUBLDPYAVHRR-GFCCVEGCSA-N 1 0 403.317 4.048 20 30 HIEDRO [NH2+]=C(NC[C@H]1CCN(c2ccc(Br)cc2)C1)Nc1ccc2c(c1)CCC2 ZINC000303901183 855277335 /nfs/dbraw/zinc/27/73/35/855277335.db2.gz XFMVAUWOBGXZQO-OAHLLOKOSA-N 1 0 413.363 4.191 20 30 HIEDRO CC[C@H](C)NC(=O)c1cccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000303910249 855283735 /nfs/dbraw/zinc/28/37/35/855283735.db2.gz YSHSBQZWWYLHLS-ZDUSSCGKSA-N 1 0 408.424 4.040 20 30 HIEDRO [NH2+]=C(NC[C@@H](c1cccc(Cl)c1)N1CCCC1)Nc1ccc2c(c1)OCCCO2 ZINC000303911293 855284357 /nfs/dbraw/zinc/28/43/57/855284357.db2.gz ZMHHGAYEGRNCLI-IBGZPJMESA-N 1 0 414.937 4.065 20 30 HIEDRO C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000303923096 855293901 /nfs/dbraw/zinc/29/39/01/855293901.db2.gz YUARIWMANZWBEG-UHFFFAOYSA-N 1 0 410.411 4.401 20 30 HIEDRO Cc1ccc(NC(=[NH2+])NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc1C ZINC000303979400 855333745 /nfs/dbraw/zinc/33/37/45/855333745.db2.gz NCFYIPAFLZCGEU-FQEVSTJZSA-N 1 0 420.479 4.122 20 30 HIEDRO COc1cc(Br)c(CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)cc1OC ZINC000303984753 855336976 /nfs/dbraw/zinc/33/69/76/855336976.db2.gz SJOQSSNQRWVZQE-UHFFFAOYSA-N 1 0 422.323 4.180 20 30 HIEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC000304757993 855357664 /nfs/dbraw/zinc/35/76/64/855357664.db2.gz PMUQJUREXSFTQN-FQEVSTJZSA-N 1 0 412.534 4.466 20 30 HIEDRO COc1ccc(C(C)(C)CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000304758351 855358013 /nfs/dbraw/zinc/35/80/13/855358013.db2.gz PWCBZHZLJCWVIN-UHFFFAOYSA-N 1 0 411.424 4.307 20 30 HIEDRO CC(C)(C)OC(=O)Nc1ccc(CCNC(=[NH2+])N[C@H]2CCOc3ccccc32)cc1 ZINC000304941909 855358553 /nfs/dbraw/zinc/35/85/53/855358553.db2.gz NUNJZQYLHAZSGZ-IBGZPJMESA-N 1 0 410.518 4.004 20 30 HIEDRO [NH2+]=C(NCc1nccn1CCCc1ccccc1)Nc1ccccc1OC(F)(F)F ZINC000305224198 855359833 /nfs/dbraw/zinc/35/98/33/855359833.db2.gz KDQJEMIHEUKDRD-UHFFFAOYSA-N 1 0 417.435 4.341 20 30 HIEDRO [NH2+]=C(NCc1nc(-c2cccc(Cl)c2)no1)Nc1ccccc1OC(F)(F)F ZINC000305238092 855360255 /nfs/dbraw/zinc/36/02/55/855360255.db2.gz OQWUHMMSSMCHNZ-UHFFFAOYSA-N 1 0 411.771 4.215 20 30 HIEDRO [NH2+]=C(NCc1cccc(COC2CCOCC2)c1)Nc1ccccc1OC(F)(F)F ZINC000305224967 855360272 /nfs/dbraw/zinc/36/02/72/855360272.db2.gz KHSOSTRKAVKICS-UHFFFAOYSA-N 1 0 423.435 4.208 20 30 HIEDRO COc1ccccc1[C@@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)N1CCCC1 ZINC000305237581 855360292 /nfs/dbraw/zinc/36/02/92/855360292.db2.gz OIMQSOHFOHXXIS-QGZVFWFLSA-N 1 0 422.451 4.158 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409465776 855493515 /nfs/dbraw/zinc/49/35/15/855493515.db2.gz WZBKORWLNXONRH-LJQANCHMSA-N 1 0 413.525 4.048 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000409471443 855497299 /nfs/dbraw/zinc/49/72/99/855497299.db2.gz RHJJRJTWEOXMDU-UHFFFAOYSA-N 1 0 412.347 4.160 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000409505203 855513143 /nfs/dbraw/zinc/51/31/43/855513143.db2.gz VXKFZRILPYBGQE-UHFFFAOYSA-N 1 0 412.347 4.018 20 30 HIEDRO N#CC1(CCC[N@H+]2CCCN(Cc3ccc(C(F)(F)F)cc3)CC2)CCOCC1 ZINC000410315922 855923769 /nfs/dbraw/zinc/92/37/69/855923769.db2.gz XREOUNDDHGCKSY-UHFFFAOYSA-N 1 0 409.496 4.314 20 30 HIEDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000426432257 856287570 /nfs/dbraw/zinc/28/75/70/856287570.db2.gz GPAOMUIQRBVHMX-INIZCTEOSA-N 1 0 420.397 4.180 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(OCc2ccccn2)c(Cl)c1 ZINC000426611852 856373280 /nfs/dbraw/zinc/37/32/80/856373280.db2.gz UXELOMGRIFQZQU-UHFFFAOYSA-N 1 0 415.925 4.013 20 30 HIEDRO C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000427022235 856599107 /nfs/dbraw/zinc/59/91/07/856599107.db2.gz WLFPWJVCVOMIPH-UHFFFAOYSA-N 1 0 400.444 4.294 20 30 HIEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)c4ccc(C#N)o4)cc3)CC2)c1 ZINC000428171530 857096323 /nfs/dbraw/zinc/09/63/23/857096323.db2.gz SXRFOTWRBDUVJG-UHFFFAOYSA-N 1 0 400.482 4.034 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)cs2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000437546142 862877440 /nfs/dbraw/zinc/87/74/40/862877440.db2.gz FOMSQOMVTDUXQI-MAUKXSAKSA-N 1 0 407.461 4.451 20 30 HIEDRO N#CCCn1ncc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)c1-c1ccccc1 ZINC000428339073 857160885 /nfs/dbraw/zinc/16/08/85/857160885.db2.gz VMSJFGRSZINBAB-UHFFFAOYSA-N 1 0 419.573 4.382 20 30 HIEDRO N#CCCn1ncc(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)c1-c1ccccc1 ZINC000428731537 857312675 /nfs/dbraw/zinc/31/26/75/857312675.db2.gz YLJXHAQSAWVYPL-JOCHJYFZSA-N 1 0 419.573 4.238 20 30 HIEDRO CCN(C[C@@H]1CC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1)CC(F)(F)F ZINC000437584810 862899570 /nfs/dbraw/zinc/89/95/70/862899570.db2.gz YIMLRFDXJBOVBS-INIZCTEOSA-N 1 0 408.386 4.143 20 30 HIEDRO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000428794957 857343428 /nfs/dbraw/zinc/34/34/28/857343428.db2.gz PCZZAQBTTNQTLX-FDDCHVKYSA-N 1 0 412.493 4.420 20 30 HIEDRO C[C@H]1CN(CCC(=O)Nc2cccc(C#N)c2)C[C@@H](c2cccc(C(F)(F)F)c2)O1 ZINC000428923524 857418699 /nfs/dbraw/zinc/41/86/99/857418699.db2.gz DOBTXMDVJVEMGC-YWZLYKJASA-N 1 0 417.431 4.368 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1OCCc2sccc21 ZINC000429166839 857538392 /nfs/dbraw/zinc/53/83/92/857538392.db2.gz JZWOPTFBEHDHPM-RBZFPXEDSA-N 1 0 415.584 4.181 20 30 HIEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@H](C)c2cccc(O)c2)c1C#N ZINC000429305598 857597384 /nfs/dbraw/zinc/59/73/84/857597384.db2.gz JSQCXDBNXNBJSD-OAHLLOKOSA-N 1 0 406.461 4.100 20 30 HIEDRO N#CC1(CCC[NH2+][C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CCOCC1 ZINC000429378761 857632781 /nfs/dbraw/zinc/63/27/81/857632781.db2.gz QRVWIPACFNCMAE-QPPBQGQZSA-N 1 0 424.516 4.267 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+](Cc2ccc(F)cc2)C2CCOCC2)c1 ZINC000429725410 857851123 /nfs/dbraw/zinc/85/11/23/857851123.db2.gz PEMSQZPIPQNDBU-UHFFFAOYSA-N 1 0 423.532 4.370 20 30 HIEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cnn(CCC#N)c1-c1ccccc1 ZINC000430054554 858014532 /nfs/dbraw/zinc/01/45/32/858014532.db2.gz AFUYQEHXZSUYPV-UHFFFAOYSA-N 1 0 415.541 4.188 20 30 HIEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](Cc3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2)nc1 ZINC000430154885 858055936 /nfs/dbraw/zinc/05/59/36/858055936.db2.gz JFFKUEYPHZCEPX-QGZVFWFLSA-N 1 0 424.844 4.428 20 30 HIEDRO Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc(C)c1OCc1ccccn1 ZINC000430183484 858070575 /nfs/dbraw/zinc/07/05/75/858070575.db2.gz CVEHVJBGKPTPTI-HSZRJFAPSA-N 1 0 414.509 4.197 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1C#N ZINC000430742169 858283667 /nfs/dbraw/zinc/28/36/67/858283667.db2.gz OCJLQANLMLOZPB-LPHOPBHVSA-N 1 0 420.582 4.335 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C[C@@]2(CCO[C@H](C)C2)O1 ZINC000430779834 858302355 /nfs/dbraw/zinc/30/23/55/858302355.db2.gz GPWMSCZJHZYRHM-FHAGJXEFSA-N 1 0 406.526 4.296 20 30 HIEDRO C[C@H]1C[C@H](N(C)Cc2nnc(-c3cccc(C#N)c3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000430826262 858319027 /nfs/dbraw/zinc/31/90/27/858319027.db2.gz VERGXHWIGUZEPF-PGRDOPGGSA-N 1 0 401.514 4.093 20 30 HIEDRO C[C@@H]1C[C@@H](N(C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC[N@@H+]1Cc1ccccc1 ZINC000430826149 858319098 /nfs/dbraw/zinc/31/90/98/858319098.db2.gz GAGAMBYIDHBOMZ-GCJKJVERSA-N 1 0 401.514 4.093 20 30 HIEDRO CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000430828545 858319980 /nfs/dbraw/zinc/31/99/80/858319980.db2.gz BOGFWXHLIVZWDV-UNMCSNQZSA-N 1 0 406.530 4.376 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000431142947 858468094 /nfs/dbraw/zinc/46/80/94/858468094.db2.gz HPRBTFIGHQEIIL-UHFFFAOYSA-N 1 0 403.486 4.173 20 30 HIEDRO Cc1cc(NC(=O)N(Cc2ccc(C#N)cc2)CC(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000431142218 858468113 /nfs/dbraw/zinc/46/81/13/858468113.db2.gz DFKCUKCJCXVNJX-UHFFFAOYSA-N 1 0 408.550 4.020 20 30 HIEDRO N#Cc1c(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc2cc(Cl)ccn12 ZINC000431510143 858649941 /nfs/dbraw/zinc/64/99/41/858649941.db2.gz XNIRDJRTIOHCLU-UHFFFAOYSA-N 1 0 405.933 4.352 20 30 HIEDRO CC(C)CC[NH+]1CCC(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC000431562327 858671130 /nfs/dbraw/zinc/67/11/30/858671130.db2.gz BVYCTZIKYRKMFZ-UHFFFAOYSA-N 1 0 406.530 4.233 20 30 HIEDRO C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000431735459 858773769 /nfs/dbraw/zinc/77/37/69/858773769.db2.gz JDKOHBHNXRGEAN-UZUQRXQVSA-N 1 0 408.521 4.094 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CCC[C@@H]([NH+](C)C)CC2)cc1OCC ZINC000432815556 859372375 /nfs/dbraw/zinc/37/23/75/859372375.db2.gz HZFSTOQZFGZXMY-QGZVFWFLSA-N 1 0 411.384 4.329 20 30 HIEDRO Cc1nc2ccccc2c(-c2ccccc2)c1CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000467607673 881414354 /nfs/dbraw/zinc/41/43/54/881414354.db2.gz KDNKEYGUAPNKJT-UHFFFAOYSA-N 1 0 414.553 4.447 20 30 HIEDRO CN(Cc1ccccc1Br)C(=O)C[NH2+][C@H](CCCC#N)c1ccccc1 ZINC000433015603 859479917 /nfs/dbraw/zinc/47/99/17/859479917.db2.gz KYPNYJCAJKPKHD-HXUWFJFHSA-N 1 0 414.347 4.432 20 30 HIEDRO N#CCCC[C@H]([NH2+]CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)c1ccccc1 ZINC000433020730 859482049 /nfs/dbraw/zinc/48/20/49/859482049.db2.gz TYFIXPUCBOIOOR-QHCPKHFHSA-N 1 0 424.976 4.009 20 30 HIEDRO N#CCCC[C@H]([NH2+]CC(=O)N1CCC(OCc2ccccc2)CC1)c1ccccc1 ZINC000433025064 859485650 /nfs/dbraw/zinc/48/56/50/859485650.db2.gz HBIHCWRAFQOGDZ-DEOSSOPVSA-N 1 0 405.542 4.219 20 30 HIEDRO CCOc1cc(C[NH2+][C@@H](CCCC#N)c2ccccc2)nc2nc(C(F)(F)F)nn21 ZINC000433031893 859490793 /nfs/dbraw/zinc/49/07/93/859490793.db2.gz PJIIMBZBXUNCJT-INIZCTEOSA-N 1 0 418.423 4.067 20 30 HIEDRO N#Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](Cc2ccc(Br)cc2)C1 ZINC000433307895 859630630 /nfs/dbraw/zinc/63/06/30/859630630.db2.gz WFLUEHLKDDHMFP-KRWDZBQOSA-N 1 0 412.331 4.214 20 30 HIEDRO Cc1nc(-c2ccc(C[NH2+]Cc3cn(CCC#N)nc3-c3ccncc3)o2)cs1 ZINC000433315684 859634077 /nfs/dbraw/zinc/63/40/77/859634077.db2.gz YYNWZTMFQMZDSD-UHFFFAOYSA-N 1 0 404.499 4.174 20 30 HIEDRO C[C@H]1C[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCN1Cc1ccccc1 ZINC000433329265 859646377 /nfs/dbraw/zinc/64/63/77/859646377.db2.gz GDLPKMXIEANPIN-GBXCKJPGSA-N 1 0 414.557 4.001 20 30 HIEDRO C[C@@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000433875576 859946913 /nfs/dbraw/zinc/94/69/13/859946913.db2.gz TYODEEVWNYHAKX-GOSISDBHSA-N 1 0 419.550 4.326 20 30 HIEDRO CC[NH+](CC)CCOC1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000467705862 881501971 /nfs/dbraw/zinc/50/19/71/881501971.db2.gz SKQGPVCAPOOGEN-SFHVURJKSA-N 1 0 418.607 4.436 20 30 HIEDRO CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000434611667 860428544 /nfs/dbraw/zinc/42/85/44/860428544.db2.gz JLTWKJOPXBALHF-QFIPXVFZSA-N 1 0 405.477 4.151 20 30 HIEDRO Cn1cc(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000434689543 860462888 /nfs/dbraw/zinc/46/28/88/860462888.db2.gz BPFUDZINWVICFW-UHFFFAOYSA-N 1 0 402.473 4.193 20 30 HIEDRO C[C@@H]1C[NH+](CCCCNC(=O)c2ccccc2Sc2ccccc2C#N)C[C@@H](C)O1 ZINC000434773060 860489940 /nfs/dbraw/zinc/48/99/40/860489940.db2.gz FINHMLOJJRPTGJ-RTBURBONSA-N 1 0 423.582 4.329 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@H]2C)c1C#N ZINC000434897205 860542039 /nfs/dbraw/zinc/54/20/39/860542039.db2.gz UYLXEHLBWYVGIG-KNQAVFIVSA-N 1 0 416.525 4.434 20 30 HIEDRO C=CCC[C@H](NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)c1ccccc1 ZINC000435096734 860640550 /nfs/dbraw/zinc/64/05/50/860640550.db2.gz XYEDJPNIEUKWMC-DEOSSOPVSA-N 1 0 407.558 4.150 20 30 HIEDRO COc1ccc(C[C@@H]2CCC[N@H+](Cc3cn(CCC#N)nc3-c3ccncc3)C2)cc1 ZINC000435123073 860650994 /nfs/dbraw/zinc/65/09/94/860650994.db2.gz DZKHVZMAAQGJES-NRFANRHFSA-N 1 0 415.541 4.322 20 30 HIEDRO CC(C)C1CCC([NH+]2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)CC2)CC1 ZINC000435130613 860655313 /nfs/dbraw/zinc/65/53/13/860655313.db2.gz QORMOEKEVYYPHD-UHFFFAOYSA-N 1 0 420.605 4.191 20 30 HIEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000435132108 860656186 /nfs/dbraw/zinc/65/61/86/860656186.db2.gz HPJVGVBDSXZIBN-RTWAWAEBSA-N 1 0 422.504 4.367 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(Cc3ccccc3F)CC2)c(-c2ccncc2)n1 ZINC000435134431 860657658 /nfs/dbraw/zinc/65/76/58/860657658.db2.gz HTHQQJITVMPLCD-UHFFFAOYSA-N 1 0 403.505 4.453 20 30 HIEDRO C=CCOc1ccc(C(=O)Nc2ccnn2[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000435379975 860776096 /nfs/dbraw/zinc/77/60/96/860776096.db2.gz OOZRXNROGKKXLH-NRFANRHFSA-N 1 0 402.498 4.147 20 30 HIEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000435563703 860885977 /nfs/dbraw/zinc/88/59/77/860885977.db2.gz NAANONFZTGVWEW-QFIPXVFZSA-N 1 0 421.545 4.259 20 30 HIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 ZINC000435741461 861022626 /nfs/dbraw/zinc/02/26/26/861022626.db2.gz PFGGTPXYFOJWNQ-WMZHIEFXSA-N 1 0 412.486 4.253 20 30 HIEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cc(Br)c(OC(F)F)c(OC)c1 ZINC000435741355 861022737 /nfs/dbraw/zinc/02/27/37/861022737.db2.gz OJCOKAJOFYMWNP-SWLSCSKDSA-N 1 0 406.267 4.130 20 30 HIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000437851491 863210002 /nfs/dbraw/zinc/21/00/02/863210002.db2.gz SKIBJWVLSIKTAC-HXUWFJFHSA-N 1 0 422.529 4.017 20 30 HIEDRO CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000437883299 863247785 /nfs/dbraw/zinc/24/77/85/863247785.db2.gz MVUHGDUNSNPGQN-JOCHJYFZSA-N 1 0 419.529 4.149 20 30 HIEDRO CCC[NH+]1CCC(NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000437959423 863330274 /nfs/dbraw/zinc/33/02/74/863330274.db2.gz XVCJIFOQTOXVKF-UHFFFAOYSA-N 1 0 410.493 4.272 20 30 HIEDRO C[C@H]1C[C@@H](NC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC[N@@H+]1C ZINC000437960110 863331653 /nfs/dbraw/zinc/33/16/53/863331653.db2.gz HWQOEKMRZLIQRY-KXBFYZLASA-N 1 0 412.921 4.395 20 30 HIEDRO CC(C)[N@H+](C)CCNC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 ZINC000437963889 863334517 /nfs/dbraw/zinc/33/45/17/863334517.db2.gz NROLSLMCLVMVQE-UHFFFAOYSA-N 1 0 400.910 4.252 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000438463816 863886527 /nfs/dbraw/zinc/88/65/27/863886527.db2.gz UXNOWOYDCJKULM-UHFFFAOYSA-N 1 0 404.283 4.335 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000438470206 863889558 /nfs/dbraw/zinc/88/95/58/863889558.db2.gz OPDQOKGZPMLCRL-UHFFFAOYSA-N 1 0 404.283 4.335 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)sc2c1CCCC2 ZINC000439000341 864455481 /nfs/dbraw/zinc/45/54/81/864455481.db2.gz AAMFDGLPMLMXIU-SXLOBPIMSA-N 1 0 415.603 4.233 20 30 HIEDRO CCCc1c(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)cnn1-c1cccc(C#N)c1 ZINC000439693389 865029500 /nfs/dbraw/zinc/02/95/00/865029500.db2.gz LGIRZSCWESYAQO-HXUWFJFHSA-N 1 0 420.561 4.082 20 30 HIEDRO N#Cc1cccc(NC(=O)CC[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)c1 ZINC000439954613 865247686 /nfs/dbraw/zinc/24/76/86/865247686.db2.gz VSROGIJAGMOOCG-UHFFFAOYSA-N 1 0 402.473 4.166 20 30 HIEDRO CCCc1c(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cnn1-c1cccc(C#N)c1 ZINC000440081623 865346409 /nfs/dbraw/zinc/34/64/09/865346409.db2.gz TYYVGQRJLFVRPH-LJQANCHMSA-N 1 0 405.546 4.290 20 30 HIEDRO COc1ccccc1[C@H](CNC(=O)N[C@H](CCC#N)c1ccccc1)[NH+]1CCCC1 ZINC000440206489 865441286 /nfs/dbraw/zinc/44/12/86/865441286.db2.gz IIJOVIJPTXVUAJ-YADHBBJMSA-N 1 0 406.530 4.176 20 30 HIEDRO CC(C)c1ncc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 ZINC000440469675 865774307 /nfs/dbraw/zinc/77/43/07/865774307.db2.gz LKACMXNUJBOWKI-UHFFFAOYSA-N 1 0 411.575 4.263 20 30 HIEDRO CC(C)c1ncc(C[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cn1 ZINC000440487150 865791455 /nfs/dbraw/zinc/79/14/55/865791455.db2.gz OBULNNYUGNNKQP-HNNXBMFYSA-N 1 0 411.575 4.119 20 30 HIEDRO COc1ccc(NC(=O)C2([NH2+]CC#Cc3ccc(Cl)cc3)CCCC2)cc1OC ZINC000440900360 865996813 /nfs/dbraw/zinc/99/68/13/865996813.db2.gz BAZYHPNGUSPVAG-UHFFFAOYSA-N 1 0 412.917 4.250 20 30 HIEDRO C[N@@H+]1CC[C@@H](CNC(=O)NCC2CCC(C#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000440982176 866064401 /nfs/dbraw/zinc/06/44/01/866064401.db2.gz ALJJHKVLKSEMAP-GXKRMFDSSA-N 1 0 406.933 4.101 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(C)(c3ccc(Br)cc3)CC2)CC1 ZINC000441178488 866255459 /nfs/dbraw/zinc/25/54/59/866255459.db2.gz KFQIHFGKAHPCFE-UHFFFAOYSA-N 1 0 420.395 4.163 20 30 HIEDRO Cc1sc(NC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)Cc2ccc(Cl)cc2)c(C#N)c1C ZINC000441257613 866333251 /nfs/dbraw/zinc/33/32/51/866333251.db2.gz CCZBZMBVLDNJPS-ZIAGYGMSSA-N 1 0 419.978 4.143 20 30 HIEDRO C[C@@H](O)C[N@H+](CC(=O)Nc1cc(Cl)ccc1C#N)[C@H](C)Cc1ccc(Cl)cc1 ZINC000441281220 866357010 /nfs/dbraw/zinc/35/70/10/866357010.db2.gz TUVJHMQAENDOBT-HUUCEWRRSA-N 1 0 420.340 4.118 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]1c1cccc(N(C)C)c1 ZINC000441352358 866421975 /nfs/dbraw/zinc/42/19/75/866421975.db2.gz KJQXPIISFOLUJU-SIKLNZKXSA-N 1 0 420.557 4.233 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CC[C@H](COCc3ccccc3)C2)c1C ZINC000441358304 866427620 /nfs/dbraw/zinc/42/76/20/866427620.db2.gz PJBTXUIUVMIMQR-QHCPKHFHSA-N 1 0 405.542 4.089 20 30 HIEDRO Cc1ccc([C@@H](Cn2ccnc2)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)c(C)c1 ZINC000441364165 866432499 /nfs/dbraw/zinc/43/24/99/866432499.db2.gz LRDDVFLHTYMVTC-XUZZJYLKSA-N 1 0 415.541 4.166 20 30 HIEDRO C[C@H](NC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000442197729 867219518 /nfs/dbraw/zinc/21/95/18/867219518.db2.gz XNFOVLNJOWNUGJ-KBPBESRZSA-N 1 0 410.440 4.231 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)c(O)c2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000442961571 867765756 /nfs/dbraw/zinc/76/57/56/867765756.db2.gz BJZFZRMPHSTPBI-YLJYHZDGSA-N 1 0 417.431 4.096 20 30 HIEDRO N#Cc1ccc(-c2nnc(C[N@H+]3CCC[C@H](c4nc5ccc(F)cc5o4)C3)o2)cc1 ZINC000443637843 868221099 /nfs/dbraw/zinc/22/10/99/868221099.db2.gz CEOXADZRGAHIMP-INIZCTEOSA-N 1 0 403.417 4.268 20 30 HIEDRO N#Cc1ccsc1NC(=O)CC[N@@H+](Cc1csc(Br)c1)C1CC1 ZINC000443656453 868255041 /nfs/dbraw/zinc/25/50/41/868255041.db2.gz LLXYZTWFHRNVMZ-UHFFFAOYSA-N 1 0 410.362 4.437 20 30 HIEDRO C[C@@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443657411 868261057 /nfs/dbraw/zinc/26/10/57/868261057.db2.gz NQINFUWKKOPGFM-ZWKOTPCHSA-N 1 0 420.488 4.482 20 30 HIEDRO N#Cc1nnc2ccccc2c1N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000443891259 868428681 /nfs/dbraw/zinc/42/86/81/868428681.db2.gz DZPMBIWPDRJSOT-UHFFFAOYSA-N 1 0 403.489 4.393 20 30 HIEDRO Cc1cc(C[NH2+]C[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)ccc1C#N ZINC000443992239 868514787 /nfs/dbraw/zinc/51/47/87/868514787.db2.gz YJEGPWIAHAONHP-NRFANRHFSA-N 1 0 403.448 4.049 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444273489 868710115 /nfs/dbraw/zinc/71/01/15/868710115.db2.gz PWTUMHPRHZAZJT-CVDCTZTESA-N 1 0 400.526 4.195 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 ZINC000444395998 868808978 /nfs/dbraw/zinc/80/89/78/868808978.db2.gz LQYGFTPTLVJVBX-UHFFFAOYSA-N 1 0 409.465 4.333 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)N(CC)[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000444648606 868929655 /nfs/dbraw/zinc/92/96/55/868929655.db2.gz JSIQXYPVZNOZRB-WMZHIEFXSA-N 1 0 420.557 4.292 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)c1cccc(O)c1 ZINC000444753283 868987396 /nfs/dbraw/zinc/98/73/96/868987396.db2.gz NGVHMSWQYGPKMF-KRWDZBQOSA-N 1 0 414.509 4.223 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(Br)s1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000444764950 868992369 /nfs/dbraw/zinc/99/23/69/868992369.db2.gz YGCKBLQOBFHPNE-HPGRBHQUSA-N 1 0 412.397 4.481 20 30 HIEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445897999 869877229 /nfs/dbraw/zinc/87/72/29/869877229.db2.gz FFPDISBUEZCCGA-GOSISDBHSA-N 1 0 414.303 4.105 20 30 HIEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000445997134 869960757 /nfs/dbraw/zinc/96/07/57/869960757.db2.gz UZMRAZKJBOBWIC-PMACEKPBSA-N 1 0 422.472 4.277 20 30 HIEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)c1 ZINC000446004927 869969444 /nfs/dbraw/zinc/96/94/44/869969444.db2.gz XCTWHHWTODJGRM-WOJBJXKFSA-N 1 0 401.432 4.119 20 30 HIEDRO COc1cc(C#N)ccc1C[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000447324703 871214881 /nfs/dbraw/zinc/21/48/81/871214881.db2.gz NAQNJLQONFEJTR-UHFFFAOYSA-N 1 0 406.404 4.261 20 30 HIEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](c2nc(-c3ccccc3OC)cs2)C1 ZINC000447378896 871285511 /nfs/dbraw/zinc/28/55/11/871285511.db2.gz AWTMOEPWYOHIPR-SFHVURJKSA-N 1 0 411.571 4.199 20 30 HIEDRO N#Cc1cccc(-c2cc(C(=O)Nc3cccc(C[NH+]4CCSCC4)c3)on2)c1 ZINC000447450931 871344752 /nfs/dbraw/zinc/34/47/52/871344752.db2.gz RAYAEEJAESHEEK-UHFFFAOYSA-N 1 0 404.495 4.014 20 30 HIEDRO CC[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(C#N)cc1 ZINC000447561892 871453946 /nfs/dbraw/zinc/45/39/46/871453946.db2.gz JPITUBIZHQEXDG-FQEVSTJZSA-N 1 0 417.600 4.078 20 30 HIEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460195410 872769127 /nfs/dbraw/zinc/76/91/27/872769127.db2.gz IAQHLOJZOFFXJO-WMZHIEFXSA-N 1 0 414.557 4.326 20 30 HIEDRO CC[NH+](CC)[C@@H](C(=O)NCCOc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1 ZINC000460282068 872870929 /nfs/dbraw/zinc/87/09/29/872870929.db2.gz OODAIQMCNYVUNI-HXUWFJFHSA-N 1 0 419.447 4.155 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460373810 873011065 /nfs/dbraw/zinc/01/10/65/873011065.db2.gz UNUKOFZXXXTYNF-FCJDFRRUSA-N 1 0 423.605 4.408 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460382656 873024397 /nfs/dbraw/zinc/02/43/97/873024397.db2.gz CIJANRRALXIPII-HBFSDRIKSA-N 1 0 413.541 4.196 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460382654 873025538 /nfs/dbraw/zinc/02/55/38/873025538.db2.gz CIJANRRALXIPII-BJLQDIEVSA-N 1 0 413.541 4.196 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460384580 873027201 /nfs/dbraw/zinc/02/72/01/873027201.db2.gz XQLLQJDBGZJSLA-UHFFFAOYSA-N 1 0 416.529 4.007 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460546635 873249862 /nfs/dbraw/zinc/24/98/62/873249862.db2.gz VMSVSUAUGNEHQG-FUHWJXTLSA-N 1 0 415.969 4.246 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460566473 873296991 /nfs/dbraw/zinc/29/69/91/873296991.db2.gz SGLBTMJYHLUOFZ-SFTDATJTSA-N 1 0 409.578 4.113 20 30 HIEDRO C=CC[C@H](CC)NC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000460764646 873606707 /nfs/dbraw/zinc/60/67/07/873606707.db2.gz AUDMWLYKBQGUJP-KRWDZBQOSA-N 1 0 408.384 4.410 20 30 HIEDRO C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460784654 873642193 /nfs/dbraw/zinc/64/21/93/873642193.db2.gz HOVGCLYGZXRUDG-LJQANCHMSA-N 1 0 402.546 4.051 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000460791165 873654237 /nfs/dbraw/zinc/65/42/37/873654237.db2.gz GFVKYGJOAGJMBN-KSEOMHKRSA-N 1 0 409.578 4.053 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460791948 873657012 /nfs/dbraw/zinc/65/70/12/873657012.db2.gz HXQOHGXHLIBOQU-GBESFXJTSA-N 1 0 415.557 4.442 20 30 HIEDRO C=C(C)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460794853 873662434 /nfs/dbraw/zinc/66/24/34/873662434.db2.gz PEFRJMCNIJGLCA-NHCUHLMSSA-N 1 0 409.578 4.113 20 30 HIEDRO C=C(C)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[NH+](CC)CC1 ZINC000460808486 873684752 /nfs/dbraw/zinc/68/47/52/873684752.db2.gz XRQDVILDNRFXNB-UHFFFAOYSA-N 1 0 408.575 4.095 20 30 HIEDRO C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000460937837 873838284 /nfs/dbraw/zinc/83/82/84/873838284.db2.gz RVSKZONSEIHNNG-HXUWFJFHSA-N 1 0 415.626 4.057 20 30 HIEDRO C=C(C)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460942480 873842956 /nfs/dbraw/zinc/84/29/56/873842956.db2.gz APDCCEVUGYCPKP-JOCHJYFZSA-N 1 0 423.605 4.103 20 30 HIEDRO N#CCc1ccc(Oc2ccc(C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)cc2)cc1 ZINC000461427726 874462573 /nfs/dbraw/zinc/46/25/73/874462573.db2.gz QGRMJKHUAQGMOY-NRFANRHFSA-N 1 0 403.526 4.493 20 30 HIEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000461438376 874490595 /nfs/dbraw/zinc/49/05/95/874490595.db2.gz LNCHVNHFNSQUAC-NRFANRHFSA-N 1 0 403.526 4.085 20 30 HIEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)CC1 ZINC000461477327 874534797 /nfs/dbraw/zinc/53/47/97/874534797.db2.gz DNPGXOLIJGGNPS-UHFFFAOYSA-N 1 0 420.586 4.237 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000468776898 882854945 /nfs/dbraw/zinc/85/49/45/882854945.db2.gz BIROGDHOMNFOPD-SFHVURJKSA-N 1 0 406.530 4.330 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000468799076 882865205 /nfs/dbraw/zinc/86/52/05/882865205.db2.gz CNSMGNUSMYPSIT-UHFFFAOYSA-N 1 0 408.889 4.071 20 30 HIEDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[N@H+](C)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000468835818 882883255 /nfs/dbraw/zinc/88/32/55/882883255.db2.gz GAYHQIDWLXTJEB-FXAWDEMLSA-N 1 0 407.539 4.423 20 30 HIEDRO Cc1cc(NC(=O)[C@@H](C)c2cccc(C#N)c2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000462246630 875363318 /nfs/dbraw/zinc/36/33/18/875363318.db2.gz LQYRHTGTMWUWCQ-CVDCTZTESA-N 1 0 413.525 4.252 20 30 HIEDRO CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)cc2)CC1 ZINC000468906617 882961398 /nfs/dbraw/zinc/96/13/98/882961398.db2.gz HCOQZGGDQULMOG-IBGZPJMESA-N 1 0 417.340 4.130 20 30 HIEDRO CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)cc2)CC1 ZINC000468908070 882964922 /nfs/dbraw/zinc/96/49/22/882964922.db2.gz HCOQZGGDQULMOG-LJQANCHMSA-N 1 0 417.340 4.130 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000462744722 875814216 /nfs/dbraw/zinc/81/42/16/875814216.db2.gz ZWABWSLKHMKUFX-FQEVSTJZSA-N 1 0 402.441 4.138 20 30 HIEDRO C=CCc1cc(C[NH2+]C[C@@H](C)Oc2cccc(Br)c2)cc(OC)c1O ZINC000462759925 875822685 /nfs/dbraw/zinc/82/26/85/875822685.db2.gz ZWOINGCBJIRZCT-CQSZACIVSA-N 1 0 406.320 4.449 20 30 HIEDRO COc1cccc([C@@H](C)[NH+]2CCN(c3c(C#N)cnc4c(C)cc(F)cc43)CC2)c1 ZINC000462815690 875857596 /nfs/dbraw/zinc/85/75/96/875857596.db2.gz JECLXZYYNRPMLQ-QGZVFWFLSA-N 1 0 404.489 4.446 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000463119951 876163524 /nfs/dbraw/zinc/16/35/24/876163524.db2.gz MRQDNZNRNAWRSH-UHFFFAOYSA-N 1 0 416.500 4.327 20 30 HIEDRO N#Cc1cccnc1OC1CCC([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC1 ZINC000463287083 876346476 /nfs/dbraw/zinc/34/64/76/876346476.db2.gz WLCNYTPKMBYTTL-UHFFFAOYSA-N 1 0 422.548 4.079 20 30 HIEDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 ZINC000468967426 883033899 /nfs/dbraw/zinc/03/38/99/883033899.db2.gz KNCYPLOLRQQVCV-KRWDZBQOSA-N 1 0 400.482 4.169 20 30 HIEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)c(OC)c1 ZINC000463446078 876505023 /nfs/dbraw/zinc/50/50/23/876505023.db2.gz VXDYDCRMOBPZRY-KURKYZTESA-N 1 0 401.469 4.216 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000463757940 876881633 /nfs/dbraw/zinc/88/16/33/876881633.db2.gz XILKYXAIXMUNGQ-UHFFFAOYSA-N 1 0 404.894 4.106 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(OC(C)(C)C)CC3)sc2C1 ZINC000469043321 883114172 /nfs/dbraw/zinc/11/41/72/883114172.db2.gz RQKJERVRWQQFLW-OAHLLOKOSA-N 1 0 403.592 4.353 20 30 HIEDRO C[NH+]1CCC(CCNC(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC1 ZINC000503292488 912274909 /nfs/dbraw/zinc/27/49/09/912274909.db2.gz SVEVUHLWGDNPDP-UHFFFAOYSA-N 1 0 406.530 4.185 20 30 HIEDRO C=CCc1cc(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000464909461 878225528 /nfs/dbraw/zinc/22/55/28/878225528.db2.gz XZILKQRUWGZQBI-LJQANCHMSA-N 1 0 408.542 4.169 20 30 HIEDRO C=CCc1cc(C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)cc(OC)c1OC ZINC000465189371 878584105 /nfs/dbraw/zinc/58/41/05/878584105.db2.gz WRMZUWYRKQTPSW-SFHVURJKSA-N 1 0 424.541 4.405 20 30 HIEDRO CC[NH+](CC)CCOC1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 ZINC000465249813 878673925 /nfs/dbraw/zinc/67/39/25/878673925.db2.gz CXPQTWFCXXECQL-UHFFFAOYSA-N 1 0 405.542 4.188 20 30 HIEDRO CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000465366025 878806459 /nfs/dbraw/zinc/80/64/59/878806459.db2.gz BNJRDMUGYMVWLV-HXUWFJFHSA-N 1 0 422.573 4.317 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cc2c(cc1Cl)OCCCO2)C(C)C ZINC000503410218 912391127 /nfs/dbraw/zinc/39/11/27/912391127.db2.gz LJSAAYVVTOGKKN-GOSISDBHSA-N 1 0 407.942 4.321 20 30 HIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000465515448 878961148 /nfs/dbraw/zinc/96/11/48/878961148.db2.gz NCKZSZOFSBTXJZ-ZEQRLZLVSA-N 1 0 402.542 4.264 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000465583759 879063762 /nfs/dbraw/zinc/06/37/62/879063762.db2.gz WGIPZJXLQIYNRB-RPBOFIJWSA-N 1 0 416.569 4.175 20 30 HIEDRO Cc1ccc([C@H](CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)[NH+]2CCCC2)o1 ZINC000465807835 879424855 /nfs/dbraw/zinc/42/48/55/879424855.db2.gz REJDHOLUXBXRLY-BDTNDASRSA-N 1 0 406.530 4.206 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](c2ccccc2Cl)c2ccccc2OC)CC1 ZINC000465858270 879503807 /nfs/dbraw/zinc/50/38/07/879503807.db2.gz IUWFSJXFHRHQMO-JOCHJYFZSA-N 1 0 413.949 4.388 20 30 HIEDRO CCN(C(=O)Nc1ncccc1OCCCC#N)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000466606374 880376132 /nfs/dbraw/zinc/37/61/32/880376132.db2.gz HMLHVFPQEWVKCV-TZIWHRDSSA-N 1 0 421.545 4.453 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000466608186 880377362 /nfs/dbraw/zinc/37/73/62/880377362.db2.gz OAPKLPMYVDCXRH-LJQANCHMSA-N 1 0 413.566 4.273 20 30 HIEDRO CCc1ccc([C@H]([NH2+]CCc2cccc(C#N)c2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000467432644 881230946 /nfs/dbraw/zinc/23/09/46/881230946.db2.gz DHGJDYARHJUVPM-VWLOTQADSA-N 1 0 418.562 4.446 20 30 HIEDRO C[NH+](C)[C@@H]1CCOc2c(NC(=O)c3ccc(COc4ccc(C#N)cc4)o3)cccc21 ZINC000469349615 883469132 /nfs/dbraw/zinc/46/91/32/883469132.db2.gz ROUNOXKKBNOGDM-OAQYLSRUSA-N 1 0 417.465 4.368 20 30 HIEDRO C[C@@H]1C[C@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C[N@@H+]1Cc1ccccc1 ZINC000469586829 883825213 /nfs/dbraw/zinc/82/52/13/883825213.db2.gz KVVBERZLQWJCAN-CTNGQTDRSA-N 1 0 400.526 4.338 20 30 HIEDRO Cc1oc(NC(=O)[C@@H](C)N(C)CCOc2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000469735740 883893134 /nfs/dbraw/zinc/89/31/34/883893134.db2.gz UXNMHNVGZZUMQK-CYBMUJFWSA-N 1 0 409.408 4.125 20 30 HIEDRO N#Cc1ccccc1OC1CCC(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000469967091 884174808 /nfs/dbraw/zinc/17/48/08/884174808.db2.gz UYFGCIJDXJKJQM-UHFFFAOYSA-N 1 0 412.493 4.239 20 30 HIEDRO N#Cc1ccsc1NC(=O)CC[N@H+]1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 ZINC000469991723 884205918 /nfs/dbraw/zinc/20/59/18/884205918.db2.gz NOPUXGCVDAWPJO-AWEZNQCLSA-N 1 0 410.326 4.408 20 30 HIEDRO C[NH+]1CCC(CCNC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)CC1 ZINC000503740812 912813717 /nfs/dbraw/zinc/81/37/17/912813717.db2.gz UDVXDXQUBQVWKX-UHFFFAOYSA-N 1 0 408.521 4.141 20 30 HIEDRO CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000470202567 884514902 /nfs/dbraw/zinc/51/49/02/884514902.db2.gz ZUIWJJZOTRQKQT-NRFANRHFSA-N 1 0 424.976 4.041 20 30 HIEDRO C=CCOCCC[NH+]1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000470765046 885231758 /nfs/dbraw/zinc/23/17/58/885231758.db2.gz JOFSNUBREFSBEX-INIZCTEOSA-N 1 0 424.467 4.027 20 30 HIEDRO COc1cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)ccc1OCc1cccc(C#N)c1 ZINC000471181249 885746062 /nfs/dbraw/zinc/74/60/62/885746062.db2.gz KRUNMVYXFHIMFQ-OAQYLSRUSA-N 1 0 402.498 4.249 20 30 HIEDRO C[C@@H](CCNC(=O)c1ccc(COc2ccccc2C#N)o1)[N@H+](C)Cc1ccccc1 ZINC000471458674 886135955 /nfs/dbraw/zinc/13/59/55/886135955.db2.gz DZAPVGZTCGEHRW-IBGZPJMESA-N 1 0 417.509 4.371 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+]C(C)(C)c2ccccc2)c1C#N ZINC000472248446 887058283 /nfs/dbraw/zinc/05/82/83/887058283.db2.gz WMNGUDMUGLMHNF-UHFFFAOYSA-N 1 0 404.514 4.471 20 30 HIEDRO CC(C)(C)N1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000504258536 913121918 /nfs/dbraw/zinc/12/19/18/913121918.db2.gz QUIGEGGVADMOFB-PKOBYXMFSA-N 1 0 400.885 4.090 20 30 HIEDRO CC(C)(C)N1CC[C@H](NC(=O)c2cc(C#N)ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000504258463 913122173 /nfs/dbraw/zinc/12/21/73/913122173.db2.gz QUIGEGGVADMOFB-HKUYNNGSSA-N 1 0 400.885 4.090 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)Cc2cccc(C)c2)c1C#N ZINC000472445523 887296767 /nfs/dbraw/zinc/29/67/67/887296767.db2.gz WXQBLAXJFZSGLN-UHFFFAOYSA-N 1 0 404.514 4.387 20 30 HIEDRO C=CCN(CCc1ccccc1)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472453616 887307296 /nfs/dbraw/zinc/30/72/96/887307296.db2.gz FMVBDFHELFXMDQ-UHFFFAOYSA-N 1 0 409.496 4.232 20 30 HIEDRO C=CCN(Cc1ccccc1F)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472459202 887316023 /nfs/dbraw/zinc/31/60/23/887316023.db2.gz ZZITXKGUTXAWOU-UHFFFAOYSA-N 1 0 413.459 4.329 20 30 HIEDRO C[C@H]1CN(C2CC[NH+](CCC(C#N)(c3ccccc3)c3ccccc3)CC2)CCO1 ZINC000472742851 887587662 /nfs/dbraw/zinc/58/76/62/887587662.db2.gz ACWDJWUWTGKDEG-QFIPXVFZSA-N 1 0 403.570 4.071 20 30 HIEDRO C[C@@H]1CN(C[C@H]2CCC[N@@H+]2CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H](C)O1 ZINC000472746708 887592455 /nfs/dbraw/zinc/59/24/55/887592455.db2.gz GBMMDKUJHGJRBV-MVERNJQCSA-N 1 0 417.597 4.460 20 30 HIEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000472751945 887596909 /nfs/dbraw/zinc/59/69/09/887596909.db2.gz NAVLPRLUTIPEKU-HSZRJFAPSA-N 1 0 422.529 4.315 20 30 HIEDRO C=C[C@](C)(CCOC)C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000473623171 888363337 /nfs/dbraw/zinc/36/33/37/888363337.db2.gz IDLBHKNKIOPGTF-OAQYLSRUSA-N 1 0 412.496 4.357 20 30 HIEDRO O=C(Nc1cccc(C#Cc2ccccn2)c1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000473625149 888364781 /nfs/dbraw/zinc/36/47/81/888364781.db2.gz LWGAADZBOXBVPN-UHFFFAOYSA-N 1 0 402.542 4.400 20 30 HIEDRO CC[NH+]1CCN(c2cccc(NC(=O)Nc3cccc(OCCCC#N)c3)c2)CC1 ZINC000473810330 888634936 /nfs/dbraw/zinc/63/49/36/888634936.db2.gz SISISETZMTYTLR-UHFFFAOYSA-N 1 0 407.518 4.155 20 30 HIEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cc2cccc(F)c2o1 ZINC000473870110 888731227 /nfs/dbraw/zinc/73/12/27/888731227.db2.gz AZRVOFNLMSMRCN-INIZCTEOSA-N 1 0 408.477 4.278 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474241145 889089408 /nfs/dbraw/zinc/08/94/08/889089408.db2.gz UFIOJJUBCODRKW-TZIWHRDSSA-N 1 0 422.598 4.083 20 30 HIEDRO COc1ccc([C@H](C)[C@H](C)[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)cc1OC ZINC000474888765 889745439 /nfs/dbraw/zinc/74/54/39/889745439.db2.gz UQKFUCOUHGPTOR-UUBYJMPYSA-N 1 0 409.530 4.442 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000475394069 890321456 /nfs/dbraw/zinc/32/14/56/890321456.db2.gz ZGVKRIPBQHJFIY-UHFFFAOYSA-N 1 0 419.569 4.258 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3C[C@H](c4ccc(Cl)cc4)C3)CC2)cc1 ZINC000475406701 890334710 /nfs/dbraw/zinc/33/47/10/890334710.db2.gz JEJGPQSBFDKXJG-AFARHQOCSA-N 1 0 422.960 4.375 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000475561294 890490287 /nfs/dbraw/zinc/49/02/87/890490287.db2.gz LREOSXXRWLDVHN-JOCHJYFZSA-N 1 0 407.558 4.427 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1)C(C)C ZINC000504722994 913457912 /nfs/dbraw/zinc/45/79/12/913457912.db2.gz YBEYDRCEBKWKKB-UHFFFAOYSA-N 1 0 405.542 4.472 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(C)[C@@H](CC)Cc2ccccc2Br)CC1 ZINC000476941194 891881845 /nfs/dbraw/zinc/88/18/45/891881845.db2.gz JEHKDNZJOPOUAD-IBGZPJMESA-N 1 0 422.411 4.452 20 30 HIEDRO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000476994577 891922397 /nfs/dbraw/zinc/92/23/97/891922397.db2.gz KNLAIZMWAALBHY-SJORKVTESA-N 1 0 421.932 4.460 20 30 HIEDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)cc1[N+](=O)[O-] ZINC000504927598 913666206 /nfs/dbraw/zinc/66/62/06/913666206.db2.gz RJJXFDRGRQQBRY-MAUKXSAKSA-N 1 0 412.465 4.324 20 30 HIEDRO C=CCOc1ccccc1CNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000477542976 892581143 /nfs/dbraw/zinc/58/11/43/892581143.db2.gz NYGWTUUQQLBYRG-UHFFFAOYSA-N 1 0 401.938 4.178 20 30 HIEDRO CS(=O)(=O)c1cccc([C@@H]([NH2+]CCCOc2cccc(C#N)c2)c2ccccc2)c1 ZINC000477623010 892731170 /nfs/dbraw/zinc/73/11/70/892731170.db2.gz ANNKNHVKRFADEI-DEOSSOPVSA-N 1 0 420.534 4.110 20 30 HIEDRO Cc1sc(NC(=O)CN2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c(C#N)c1C ZINC000478052028 893201227 /nfs/dbraw/zinc/20/12/27/893201227.db2.gz FCMVGDMSGFWOGY-MRXNPFEDSA-N 1 0 402.608 4.152 20 30 HIEDRO C=C(CNC(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000478146082 893316543 /nfs/dbraw/zinc/31/65/43/893316543.db2.gz NGAPRJWVVWDHFS-QHCPKHFHSA-N 1 0 415.541 4.473 20 30 HIEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)NC2(c3cccc(C#N)c3)CC2)CC1 ZINC000478794727 894069815 /nfs/dbraw/zinc/06/98/15/894069815.db2.gz HSZGXLYTXQZPIL-UHFFFAOYSA-N 1 0 402.542 4.279 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)NC1(c2cccc(C#N)c2)CC1 ZINC000478808725 894081682 /nfs/dbraw/zinc/08/16/82/894081682.db2.gz YWVMGFDRZCSLCK-IBGZPJMESA-N 1 0 402.542 4.421 20 30 HIEDRO N#CC1(NC(=O)c2ccc(F)cc2C(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000479219830 894481933 /nfs/dbraw/zinc/48/19/33/894481933.db2.gz QVZOKZMZUSCKRS-UHFFFAOYSA-N 1 0 405.395 4.133 20 30 HIEDRO Cc1nc(-c2cccc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2)cs1 ZINC000479218120 894482094 /nfs/dbraw/zinc/48/20/94/894482094.db2.gz PQDPRTAEHCYSBV-UHFFFAOYSA-N 1 0 416.550 4.407 20 30 HIEDRO N#CC1(NC(=O)Cc2ccc(Cl)cc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000479219051 894482554 /nfs/dbraw/zinc/48/25/54/894482554.db2.gz QSOGENVHNMKEQM-UHFFFAOYSA-N 1 0 402.325 4.210 20 30 HIEDRO CCCCN(C)c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479242801 894507026 /nfs/dbraw/zinc/50/70/26/894507026.db2.gz KYUUJPJIAVVOIN-UHFFFAOYSA-N 1 0 404.558 4.211 20 30 HIEDRO Cc1cccc(-c2cncc(C(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)c2)c1 ZINC000479271385 894547266 /nfs/dbraw/zinc/54/72/66/894547266.db2.gz FWTGMMXFSIEFAN-UHFFFAOYSA-N 1 0 410.521 4.345 20 30 HIEDRO N#CC1(NC(=O)c2ccc(CCC(F)(F)F)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000479275307 894550095 /nfs/dbraw/zinc/55/00/95/894550095.db2.gz JYUDCFKVBARFMU-UHFFFAOYSA-N 1 0 415.459 4.470 20 30 HIEDRO C=CCc1cc(C[NH2+][C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)cc(OC)c1O ZINC000479392655 894696041 /nfs/dbraw/zinc/69/60/41/894696041.db2.gz OJGFSKVADRGYDO-KRWDZBQOSA-N 1 0 420.431 4.043 20 30 HIEDRO N#Cc1c(C#N)c2c(nc1NCC1CCN(c3cc[nH+]cc3)CC1)CCCCCC2 ZINC000480117633 895491891 /nfs/dbraw/zinc/49/18/91/895491891.db2.gz OIPYSTBCPWDHBF-UHFFFAOYSA-N 1 0 400.530 4.207 20 30 HIEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[NH+](C)C ZINC000480302800 895707081 /nfs/dbraw/zinc/70/70/81/895707081.db2.gz VEZDNDCVWPFYTO-AOMKIAJQSA-N 1 0 420.492 4.004 20 30 HIEDRO C[NH+](C)[C@]1(CNC(=O)c2cccc(Oc3cccc(Cl)c3C#N)c2)CCSC1 ZINC000480370508 895777760 /nfs/dbraw/zinc/77/77/60/895777760.db2.gz MBGCHMPETUXUJW-NRFANRHFSA-N 1 0 415.946 4.171 20 30 HIEDRO N#Cc1cc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)nc2ccc([N+](=O)[O-])cc12 ZINC000480553656 895913643 /nfs/dbraw/zinc/91/36/43/895913643.db2.gz LHZZEHCZGVCFJB-UHFFFAOYSA-N 1 0 419.407 4.232 20 30 HIEDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1ccccc1Oc1ccccc1C#N ZINC000480569736 895929983 /nfs/dbraw/zinc/92/99/83/895929983.db2.gz PXBWTMXNYDBXLT-UHFFFAOYSA-N 1 0 415.493 4.221 20 30 HIEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000480864607 896228114 /nfs/dbraw/zinc/22/81/14/896228114.db2.gz IFNMEUKHLCYMQT-UHFFFAOYSA-N 1 0 416.550 4.308 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000481180730 896521715 /nfs/dbraw/zinc/52/17/15/896521715.db2.gz XRLFYCCBHMUMOI-CVDCTZTESA-N 1 0 424.976 4.087 20 30 HIEDRO C=C(C)C[N@@H+](C)CC(=O)N[C@@H](c1ccccc1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000481229600 896580203 /nfs/dbraw/zinc/58/02/03/896580203.db2.gz OKZLWCFOINSZLV-FQEVSTJZSA-N 1 0 416.447 4.295 20 30 HIEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[NH+](C4CCCCC4)CC3)s2)cc1 ZINC000481483708 896867120 /nfs/dbraw/zinc/86/71/20/896867120.db2.gz TVKXXFFPRZAQBP-UHFFFAOYSA-N 1 0 409.559 4.088 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)NCC[NH+]3CCCCCC3)cc2F)c1 ZINC000481626773 897010433 /nfs/dbraw/zinc/01/04/33/897010433.db2.gz OUSSQAKVIBEQDW-UHFFFAOYSA-N 1 0 410.493 4.274 20 30 HIEDRO CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000481659753 897043109 /nfs/dbraw/zinc/04/31/09/897043109.db2.gz JSCJXSANDUMYKE-HXUWFJFHSA-N 1 0 417.600 4.208 20 30 HIEDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+][C@H]3CCCCc4cc(C#N)ccc43)cc2)C[C@@H](C)O1 ZINC000481679941 897064468 /nfs/dbraw/zinc/06/44/68/897064468.db2.gz WMHDPHWNIDTPRF-RRQZXNHTSA-N 1 0 417.553 4.365 20 30 HIEDRO CC1CC[NH+](CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000481681956 897065756 /nfs/dbraw/zinc/06/57/56/897065756.db2.gz DLTKLFRFGYKESX-UHFFFAOYSA-N 1 0 410.493 4.130 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)sc2c1CCCC2 ZINC000481686719 897071058 /nfs/dbraw/zinc/07/10/58/897071058.db2.gz BQUJFJOIHBYRKX-XMMPIXPASA-N 1 0 421.566 4.349 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1c(Cl)cccc1OC ZINC000505454861 914124582 /nfs/dbraw/zinc/12/45/82/914124582.db2.gz DLCUOUFOHCUUDS-UHFFFAOYSA-N 1 0 406.983 4.447 20 30 HIEDRO C[C@@H]([NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)C(=O)NC1(C#N)CCCCC1 ZINC000481734624 897129615 /nfs/dbraw/zinc/12/96/15/897129615.db2.gz KPUJQRQHQWFRPF-ACJLOTCBSA-N 1 0 422.342 4.360 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000481916349 897298721 /nfs/dbraw/zinc/29/87/21/897298721.db2.gz CYQUUXAIRBEMOR-XDHUDOTRSA-N 1 0 403.526 4.334 20 30 HIEDRO COc1ccccc1CC(=O)N1CCC([NH2+][C@@H]2CCCCc3cc(C#N)ccc32)CC1 ZINC000481923281 897307624 /nfs/dbraw/zinc/30/76/24/897307624.db2.gz NSHXGRHINAAWFD-XMMPIXPASA-N 1 0 417.553 4.158 20 30 HIEDRO COC(=O)c1ccccc1-c1ccc(CN2CCO[C@@H](c3cccc(C#N)c3)C2)o1 ZINC000481983794 897377014 /nfs/dbraw/zinc/37/70/14/897377014.db2.gz LNMUJKSWMNLHRE-HSZRJFAPSA-N 1 0 402.450 4.178 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000481990804 897386657 /nfs/dbraw/zinc/38/66/57/897386657.db2.gz MXLGIOFDJBBDKT-RBBKRZOGSA-N 1 0 401.489 4.328 20 30 HIEDRO CC(C)Oc1ccc([C@H](CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)[NH+](C)C)cc1 ZINC000482301209 897798635 /nfs/dbraw/zinc/79/86/35/897798635.db2.gz HGNARDAFEVSYKU-FQEVSTJZSA-N 1 0 411.550 4.326 20 30 HIEDRO COc1ccc(CNc2cc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)ccc2F)cc1C#N ZINC000482573297 898168708 /nfs/dbraw/zinc/16/87/08/898168708.db2.gz NCLLCXWCQHZQAA-INIZCTEOSA-N 1 0 410.493 4.131 20 30 HIEDRO COc1ccc([C@H](CCO)[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000482631992 898235075 /nfs/dbraw/zinc/23/50/75/898235075.db2.gz GLHMQAICORYXKO-VWLOTQADSA-N 1 0 402.494 4.359 20 30 HIEDRO N#Cc1ccc(CNc2ccccc2N2CC[NH+](CCc3ccncc3)CC2)c(F)c1 ZINC000482782102 898390419 /nfs/dbraw/zinc/39/04/19/898390419.db2.gz ORUJMGJWZGUQTB-UHFFFAOYSA-N 1 0 415.516 4.069 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482930749 898551723 /nfs/dbraw/zinc/55/17/23/898551723.db2.gz UYAIUXJXLIGFRH-GGAORHGYSA-N 1 0 418.541 4.475 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000505620609 914323161 /nfs/dbraw/zinc/32/31/61/914323161.db2.gz KRIMBCYFGSZDQS-NQIIRXRSSA-N 1 0 411.571 4.005 20 30 HIEDRO Cc1ccc(C#N)cc1NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000483566758 899221563 /nfs/dbraw/zinc/22/15/63/899221563.db2.gz WQYQHKSRHVBDGI-UHFFFAOYSA-N 1 0 406.530 4.060 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000483620116 899271120 /nfs/dbraw/zinc/27/11/20/899271120.db2.gz ILAWTTZMWOQQAH-MRXNPFEDSA-N 1 0 400.523 4.331 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@H]2CCCc3c(O)cccc32)c1C#N ZINC000484324055 899879274 /nfs/dbraw/zinc/87/92/74/899879274.db2.gz INFBAKQTHOQRNB-NRFANRHFSA-N 1 0 406.530 4.403 20 30 HIEDRO COc1ccccc1[C@H](CNC(=O)NC1(c2cccc(C#N)c2)CC1)[NH+]1CCCCC1 ZINC000484332244 899885243 /nfs/dbraw/zinc/88/52/43/899885243.db2.gz MOGBUEAXZUWIPK-QFIPXVFZSA-N 1 0 418.541 4.082 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)c1oc2ccccc2c1C ZINC000484337023 899888882 /nfs/dbraw/zinc/88/88/82/899888882.db2.gz KUERCWZGBHNGPC-QGZVFWFLSA-N 1 0 422.529 4.357 20 30 HIEDRO CCCOc1ccc(O[C@H]2CCCC[C@H]2[NH2+]CC(=O)Nc2sccc2C#N)cc1 ZINC000484635597 900084739 /nfs/dbraw/zinc/08/47/39/900084739.db2.gz IULSEQZYOQZCPM-UXHICEINSA-N 1 0 413.543 4.327 20 30 HIEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C[C@@H]1C ZINC000484991734 900344993 /nfs/dbraw/zinc/34/49/93/900344993.db2.gz BVIQUKBYCPWEEA-JTSKRJEESA-N 1 0 419.529 4.147 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000485330726 900615696 /nfs/dbraw/zinc/61/56/96/900615696.db2.gz LKTFUJGHSGNYGI-MGPUTAFESA-N 1 0 417.431 4.346 20 30 HIEDRO C=CCSc1ccccc1C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000485491791 900781928 /nfs/dbraw/zinc/78/19/28/900781928.db2.gz OHIRUFAAODTWFW-FQEVSTJZSA-N 1 0 423.582 4.383 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2ncsc2c1 ZINC000485807707 901056500 /nfs/dbraw/zinc/05/65/00/901056500.db2.gz WXXKNUUQRXHZCH-HZPDHXFCSA-N 1 0 408.527 4.291 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000505907396 914549227 /nfs/dbraw/zinc/54/92/27/914549227.db2.gz SFFPJIPJRQOELB-PZJWPPBQSA-N 1 0 421.541 4.457 20 30 HIEDRO C=CCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4cccnc4)no3)C2)cc1 ZINC000486456523 901614919 /nfs/dbraw/zinc/61/49/19/901614919.db2.gz DNBIHTLIVHCTRK-HYBUGGRVSA-N 1 0 402.498 4.250 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCNc2cccc(Br)c2)c(-c2ccccc2)n1 ZINC000486465955 901627763 /nfs/dbraw/zinc/62/77/63/901627763.db2.gz WIVQZOCAJRPFLX-UHFFFAOYSA-N 1 0 424.346 4.428 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000486473308 901633280 /nfs/dbraw/zinc/63/32/80/901633280.db2.gz QBJCWAMDJFEAAN-INIZCTEOSA-N 1 0 404.539 4.432 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(C(=O)C4CCC4)cc3)CC2)cc1 ZINC000486987070 902003863 /nfs/dbraw/zinc/00/38/63/902003863.db2.gz NEPAGJIWHBBPRO-UHFFFAOYSA-N 1 0 416.525 4.281 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1C#N ZINC000487400645 902183000 /nfs/dbraw/zinc/18/30/00/902183000.db2.gz DVPRRVCRSXCDNH-APWZRJJASA-N 1 0 420.582 4.193 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1Cl ZINC000505952766 914606569 /nfs/dbraw/zinc/60/65/69/914606569.db2.gz JNPVEZIJHYUIHN-GOSISDBHSA-N 1 0 412.896 4.407 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000487740969 902332263 /nfs/dbraw/zinc/33/22/63/902332263.db2.gz PQOBYCOPJJFSKV-BJKOFHAPSA-N 1 0 404.558 4.358 20 30 HIEDRO N#Cc1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1Br ZINC000487869764 902416495 /nfs/dbraw/zinc/41/64/95/902416495.db2.gz ABFGRBYHFLMDLV-INIZCTEOSA-N 1 0 419.367 4.441 20 30 HIEDRO C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccc(Oc2cccc(C#N)c2)cc1 ZINC000488317231 902763886 /nfs/dbraw/zinc/76/38/86/902763886.db2.gz SKQYFSZHMFCKAM-GOSISDBHSA-N 1 0 420.513 4.068 20 30 HIEDRO CCOc1cccc2cc([C@@H](C)[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)oc21 ZINC000488469591 902842003 /nfs/dbraw/zinc/84/20/03/902842003.db2.gz ZBEUOGXSSPIPEX-OXQOHEQNSA-N 1 0 403.482 4.155 20 30 HIEDRO CCOc1cccc2cc([C@H](C)[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)oc21 ZINC000488469586 902842094 /nfs/dbraw/zinc/84/20/94/902842094.db2.gz ZBEUOGXSSPIPEX-JXFKEZNVSA-N 1 0 403.482 4.155 20 30 HIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCc4c3cc(Cl)cc4Cl)C2=O)cc1 ZINC000488505341 902860768 /nfs/dbraw/zinc/86/07/68/902860768.db2.gz MYYZEXFDUMTJHJ-UXHICEINSA-N 1 0 400.309 4.243 20 30 HIEDRO C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488506159 902861171 /nfs/dbraw/zinc/86/11/71/902861171.db2.gz YRJWPAUYWIGLLI-IERDGZPVSA-N 1 0 415.459 4.289 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CCN2CCc3sccc3C2)c1 ZINC000489054814 903161148 /nfs/dbraw/zinc/16/11/48/903161148.db2.gz QQOPUZAEWCLVPT-UHFFFAOYSA-N 1 0 403.551 4.347 20 30 HIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489529018 903439801 /nfs/dbraw/zinc/43/98/01/903439801.db2.gz IPKJKEJIGXBVPL-GBXCKJPGSA-N 1 0 404.558 4.390 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490368677 903961360 /nfs/dbraw/zinc/96/13/60/903961360.db2.gz MSJIEJIGAOBFGU-WIYYLYMNSA-N 1 0 406.530 4.378 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(Cl)c(C(=O)N(CC)C(C)C)c2)CC1 ZINC000490485104 904038219 /nfs/dbraw/zinc/03/82/19/904038219.db2.gz QWHXFAMXMPRQCQ-UHFFFAOYSA-N 1 0 420.985 4.373 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H](C[NH+]3CCCCCC3)C2)c1C ZINC000491062840 904406881 /nfs/dbraw/zinc/40/68/81/904406881.db2.gz SYDSTQHCKUOQSR-HSZRJFAPSA-N 1 0 410.606 4.138 20 30 HIEDRO COc1ccc([C@@H]([NH2+]CCC(=O)N(C)CCC#N)c2ccc(C(F)(F)F)cc2)cc1 ZINC000492515635 904863022 /nfs/dbraw/zinc/86/30/22/904863022.db2.gz OZIIPPGUSVCRSL-NRFANRHFSA-N 1 0 419.447 4.155 20 30 HIEDRO Cc1ccc2[nH]c([C@H]3CCC[N@@H+]([C@@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)nc2c1 ZINC000492812748 904909519 /nfs/dbraw/zinc/90/95/19/904909519.db2.gz ZVWKYVNGRBWIFT-WMZHIEFXSA-N 1 0 413.525 4.118 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccccc3OCC(F)(F)F)CC2)cc1 ZINC000506245659 914861836 /nfs/dbraw/zinc/86/18/36/914861836.db2.gz KEDVOJVOXNEQLP-UHFFFAOYSA-N 1 0 403.448 4.207 20 30 HIEDRO N#Cc1ccc(CN2CCC[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)CC2)cc1 ZINC000506248868 914862361 /nfs/dbraw/zinc/86/23/61/914862361.db2.gz YSVQCMVGFQEJLC-UHFFFAOYSA-N 1 0 405.933 4.310 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000493444532 905127228 /nfs/dbraw/zinc/12/72/28/905127228.db2.gz WCKYUFLDVQKKEQ-KSEOMHKRSA-N 1 0 405.542 4.331 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)cc1)C(C)C ZINC000493966341 905315053 /nfs/dbraw/zinc/31/50/53/905315053.db2.gz HXGPDYZZESKKBQ-UHFFFAOYSA-N 1 0 401.514 4.109 20 30 HIEDRO C[C@@H]1[C@@H](NC(=O)c2occc2COc2cccc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000494016066 905354134 /nfs/dbraw/zinc/35/41/34/905354134.db2.gz HNEQHLRTCLVWSY-JPYJTQIMSA-N 1 0 415.493 4.123 20 30 HIEDRO CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000512449216 921168863 /nfs/dbraw/zinc/16/88/63/921168863.db2.gz DDFCLHVGORGNRK-NRFANRHFSA-N 1 0 405.542 4.121 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000494471984 905752712 /nfs/dbraw/zinc/75/27/12/905752712.db2.gz GLVXWHQOTDISLN-MZEILVMUSA-N 1 0 421.944 4.218 20 30 HIEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000494479223 905761657 /nfs/dbraw/zinc/76/16/57/905761657.db2.gz KOCWTZCVBIUEDP-UHFFFAOYSA-N 1 0 419.569 4.061 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494493614 905778913 /nfs/dbraw/zinc/77/89/13/905778913.db2.gz JJIDXCNNHMBEOO-KQPNJSLMSA-N 1 0 422.287 4.451 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000495563933 906504457 /nfs/dbraw/zinc/50/44/57/906504457.db2.gz RODXNXDXAWWIJH-SFHVURJKSA-N 1 0 416.562 4.128 20 30 HIEDRO CS[C@H]1CN(C(=O)c2ccc(Oc3ccccc3C#N)c(Cl)c2)C[C@H]1[NH+](C)C ZINC000495566862 906506230 /nfs/dbraw/zinc/50/62/30/906506230.db2.gz ZWKOUIVQDZMCFP-XLIONFOSSA-N 1 0 415.946 4.122 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C1(c2cccc(Cl)c2)CCOCC1)C(C)C ZINC000496028375 906600714 /nfs/dbraw/zinc/60/07/14/906600714.db2.gz LDTWFFVFTVEXMK-NRFANRHFSA-N 1 0 404.982 4.203 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000512710877 921294165 /nfs/dbraw/zinc/29/41/65/921294165.db2.gz BAUBCICPQNGDDQ-PZJWPPBQSA-N 1 0 424.589 4.275 20 30 HIEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000497633319 907116164 /nfs/dbraw/zinc/11/61/64/907116164.db2.gz LZNHJYJZPRXPAO-IBGZPJMESA-N 1 0 411.546 4.085 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)COc3cccc4ccccc43)CC2)c(F)c1 ZINC000512812600 921317497 /nfs/dbraw/zinc/31/74/97/921317497.db2.gz WKBIOHKNJVUZMK-FQEVSTJZSA-N 1 0 420.484 4.134 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](Cc3ccc(OC[C@@H]4CCCO4)cc3)CC2)c(F)c1 ZINC000512812741 921317703 /nfs/dbraw/zinc/31/77/03/921317703.db2.gz YJXNSRFCOQXKDF-QFIPXVFZSA-N 1 0 410.489 4.299 20 30 HIEDRO COc1cc(C[N@@H+]2CC[C@@H](COC(F)F)C2)ccc1OCc1cccc(C#N)c1 ZINC000512824734 921327814 /nfs/dbraw/zinc/32/78/14/921327814.db2.gz WVHSTTRYMVBLFB-LJQANCHMSA-N 1 0 402.441 4.207 20 30 HIEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000498013142 907506043 /nfs/dbraw/zinc/50/60/43/907506043.db2.gz DSRQBDOPCBPKRH-DYESRHJHSA-N 1 0 417.575 4.004 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)Cc3ccccc3C(F)(F)F)CC2)c(F)c1 ZINC000512828837 921332754 /nfs/dbraw/zinc/33/27/54/921332754.db2.gz RKLHHGAMOBTOCT-QGZVFWFLSA-N 1 0 422.422 4.163 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000498376874 907866722 /nfs/dbraw/zinc/86/67/22/907866722.db2.gz VUVDENLYFLBJTD-UHFFFAOYSA-N 1 0 408.502 4.025 20 30 HIEDRO C[C@@H](Sc1ccc(Cl)cc1)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000498381384 907869952 /nfs/dbraw/zinc/86/99/52/907869952.db2.gz BBPDPJVMXCKXPV-MRXNPFEDSA-N 1 0 401.963 4.283 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1C#N ZINC000498501470 907975832 /nfs/dbraw/zinc/97/58/32/907975832.db2.gz AESPELVFHOMFLV-KRWDZBQOSA-N 1 0 412.603 4.137 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000499109041 908469395 /nfs/dbraw/zinc/46/93/95/908469395.db2.gz DBHAZTHBRWZCPE-URXFXBBRSA-N 1 0 423.605 4.462 20 30 HIEDRO CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCCC2(C#N)CCOCC2)[C@@H]2CCCC[C@H]12 ZINC000499524035 908828552 /nfs/dbraw/zinc/82/85/52/908828552.db2.gz RRUXIEWWHNBOKS-VNXMGFANSA-N 1 0 403.611 4.271 20 30 HIEDRO C[C@@H]([NH2+]CCCC1(C#N)CCOCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000499623930 908859029 /nfs/dbraw/zinc/85/90/29/908859029.db2.gz GLEBRYGERKDVMW-CQSZACIVSA-N 1 0 419.323 4.250 20 30 HIEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1noc(C)c1C#N ZINC000499680378 908875021 /nfs/dbraw/zinc/87/50/21/908875021.db2.gz VGVYNBHRYPJQLF-UHFFFAOYSA-N 1 0 423.344 4.075 20 30 HIEDRO N#CC1(CCC[N@@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CCOCC1 ZINC000499732620 908893557 /nfs/dbraw/zinc/89/35/57/908893557.db2.gz LYGMFTMDFTWJMZ-HYBUGGRVSA-N 1 0 406.530 4.191 20 30 HIEDRO COc1ccc(OC)c(C[N@H+](CCC(=O)Nc2ccc(C#N)c(Cl)c2)C2CC2)c1 ZINC000513032011 921491633 /nfs/dbraw/zinc/49/16/33/921491633.db2.gz YVHWGPLFJQMWPE-UHFFFAOYSA-N 1 0 413.905 4.222 20 30 HIEDRO C[NH+](C)CCCC1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1 ZINC000500163677 909646926 /nfs/dbraw/zinc/64/69/26/909646926.db2.gz UBSIPAXRFWTNIR-UHFFFAOYSA-N 1 0 405.542 4.331 20 30 HIEDRO Cn1nccc1[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000500428792 909851494 /nfs/dbraw/zinc/85/14/94/909851494.db2.gz QRILXXAEBVJNKY-IBGZPJMESA-N 1 0 411.575 4.178 20 30 HIEDRO C[NH+](C)CCCC1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)CC1 ZINC000500682007 910018680 /nfs/dbraw/zinc/01/86/80/910018680.db2.gz CQBKOJLUUHJUOW-UHFFFAOYSA-N 1 0 412.578 4.012 20 30 HIEDRO C=C(C)COc1cc(C[N@H+](C)C2CCN(C(=O)c3ccccc3)CC2)ccc1OC ZINC000513106335 921554621 /nfs/dbraw/zinc/55/46/21/921554621.db2.gz KOVNZEORAQKZFM-UHFFFAOYSA-N 1 0 408.542 4.387 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501377157 910504916 /nfs/dbraw/zinc/50/49/16/910504916.db2.gz QMJUQNRKAFOUEJ-URXFXBBRSA-N 1 0 423.605 4.462 20 30 HIEDRO Cc1c[nH]c(=O)n1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000501980838 910961833 /nfs/dbraw/zinc/96/18/33/910961833.db2.gz IHVIFUQCSIFRSV-HUUCEWRRSA-N 1 0 423.904 4.089 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@H](C)C[C@H]1c1ccccc1 ZINC000513258158 921662676 /nfs/dbraw/zinc/66/26/76/921662676.db2.gz VFFREVBQGRCKTG-VGSWGCGISA-N 1 0 408.546 4.035 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000506296355 914891744 /nfs/dbraw/zinc/89/17/44/914891744.db2.gz YHINRRCDIHOYMK-OAQYLSRUSA-N 1 0 413.525 4.314 20 30 HIEDRO CCN(CCC#N)Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 ZINC000506434634 915037232 /nfs/dbraw/zinc/03/72/32/915037232.db2.gz WLLYQZZYHMEDBY-UHFFFAOYSA-N 1 0 419.884 4.241 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1 ZINC000506477282 915081164 /nfs/dbraw/zinc/08/11/64/915081164.db2.gz NFUFNOGYEISJPJ-SFHVURJKSA-N 1 0 405.517 4.420 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506478307 915083393 /nfs/dbraw/zinc/08/33/93/915083393.db2.gz FZOYPOPWRYSFLO-KZNAEPCWSA-N 1 0 414.619 4.022 20 30 HIEDRO CC[NH+](CC)[C@H](C(=O)N[C@H](C#N)c1cccc(Br)c1)c1ccccc1 ZINC000506527685 915167070 /nfs/dbraw/zinc/16/70/70/915167070.db2.gz PPUCUXWGCYDVOI-MOPGFXCFSA-N 1 0 400.320 4.213 20 30 HIEDRO N#Cc1ccc(N2CCC[C@H]([NH2+][C@@H](Cc3ccccn3)c3cccnc3)C2)c(F)c1 ZINC000513387923 921759083 /nfs/dbraw/zinc/75/90/83/921759083.db2.gz IOIPUCQYGYAXSL-GMAHTHKFSA-N 1 0 401.489 4.030 20 30 HIEDRO CC[C@H]([NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)c1ccc(OC)c(OC)c1 ZINC000506670039 915344855 /nfs/dbraw/zinc/34/48/55/915344855.db2.gz SDMKGONUQRRVMG-JXFKEZNVSA-N 1 0 413.493 4.219 20 30 HIEDRO Cc1nc(CN2CCC(C[NH2+]C3CCC(C#N)(c4ccccc4)CC3)CC2)oc1C ZINC000507637926 916397599 /nfs/dbraw/zinc/39/75/99/916397599.db2.gz QQCDPTAJWUJWDS-UHFFFAOYSA-N 1 0 406.574 4.497 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000507651952 916414487 /nfs/dbraw/zinc/41/44/87/916414487.db2.gz VDWMIGWFARHBTN-UHFFFAOYSA-N 1 0 415.581 4.461 20 30 HIEDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000507735353 916528771 /nfs/dbraw/zinc/52/87/71/916528771.db2.gz ZKEBWTGFVPACBQ-UHFFFAOYSA-N 1 0 415.541 4.295 20 30 HIEDRO Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000507765633 916551032 /nfs/dbraw/zinc/55/10/32/916551032.db2.gz FOCZUWANUNBMQM-UHFFFAOYSA-N 1 0 419.504 4.375 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3ccc(OCC(F)(F)F)cc3)CC2)nc1 ZINC000507769420 916555628 /nfs/dbraw/zinc/55/56/28/916555628.db2.gz VEKFUCISHVLLAX-UHFFFAOYSA-N 1 0 405.420 4.374 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000507848626 916666201 /nfs/dbraw/zinc/66/62/01/916666201.db2.gz PNHXXVKXNMGLAW-KRWDZBQOSA-N 1 0 421.324 4.148 20 30 HIEDRO C=CCn1c(-c2cc(C)oc2C)nnc1N1CC[NH+]([C@@H](C)c2cccc(OC)c2)CC1 ZINC000508477346 917262130 /nfs/dbraw/zinc/26/21/30/917262130.db2.gz KHWZVAFTXUJCIV-SFHVURJKSA-N 1 0 421.545 4.233 20 30 HIEDRO C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508478579 917263508 /nfs/dbraw/zinc/26/35/08/917263508.db2.gz RZPFXOQQOUQOPD-RTBURBONSA-N 1 0 424.549 4.130 20 30 HIEDRO C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508480825 917264853 /nfs/dbraw/zinc/26/48/53/917264853.db2.gz KPZUMETVVJMKLG-CTNGQTDRSA-N 1 0 411.569 4.285 20 30 HIEDRO C=CCn1c(CSc2ccc(C)cc2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508480095 917265248 /nfs/dbraw/zinc/26/52/48/917265248.db2.gz CZRPUDZWNZIQFX-UHFFFAOYSA-N 1 0 411.619 4.377 20 30 HIEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508498238 917282270 /nfs/dbraw/zinc/28/22/70/917282270.db2.gz QRSBOXBPVMOXLM-FCJDFRRUSA-N 1 0 421.589 4.053 20 30 HIEDRO C=CCn1c(CCCc2ccccc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508510717 917296845 /nfs/dbraw/zinc/29/68/45/917296845.db2.gz RTENKRABNTZGQO-FYYLOGMGSA-N 1 0 405.590 4.093 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000508563401 917338677 /nfs/dbraw/zinc/33/86/77/917338677.db2.gz KHLYARUEQPLEOZ-QFIPXVFZSA-N 1 0 409.480 4.230 20 30 HIEDRO Cc1c(C)n(Cc2ccccc2)c(NC(=O)C[NH2+]C(C)(C)c2ccccc2)c1C#N ZINC000508677989 917441891 /nfs/dbraw/zinc/44/18/91/917441891.db2.gz PCBHTEWUFOCIQL-UHFFFAOYSA-N 1 0 400.526 4.488 20 30 HIEDRO C=CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000508734491 917495206 /nfs/dbraw/zinc/49/52/06/917495206.db2.gz RALBFQQJTOYETR-UHFFFAOYSA-N 1 0 420.605 4.485 20 30 HIEDRO C=CCn1c(COc2ccccc2CC)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508847744 917601159 /nfs/dbraw/zinc/60/11/59/917601159.db2.gz LJOMTGQUYRBXBV-RBBKRZOGSA-N 1 0 421.589 4.059 20 30 HIEDRO C=CCn1c(-c2ccc(Br)s2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508864855 917618015 /nfs/dbraw/zinc/61/80/15/917618015.db2.gz QXGQBAWVEHUKRP-AWEZNQCLSA-N 1 0 424.412 4.123 20 30 HIEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)[NH+](C)C ZINC000508892126 917647829 /nfs/dbraw/zinc/64/78/29/917647829.db2.gz HXYCIYZUTLLVJR-CYFREDJKSA-N 1 0 420.557 4.111 20 30 HIEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[NH+](C)C ZINC000508901993 917656950 /nfs/dbraw/zinc/65/69/50/917656950.db2.gz VNGSEWXQZNVALB-LSUHJGNXSA-N 1 0 404.558 4.468 20 30 HIEDRO C=CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508931006 917689730 /nfs/dbraw/zinc/68/97/30/917689730.db2.gz GINGHLNOXMPXFE-UYAOXDASSA-N 1 0 403.530 4.330 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOc1ccc(Cl)c(Cl)c1 ZINC000508933106 917692013 /nfs/dbraw/zinc/69/20/13/917692013.db2.gz KGCIYQMIGBLBFT-UHFFFAOYSA-N 1 0 420.340 4.224 20 30 HIEDRO C=CCn1c(CCc2ccco2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000508944765 917701984 /nfs/dbraw/zinc/70/19/84/917701984.db2.gz GVOJGZALRDJIGO-UHFFFAOYSA-N 1 0 419.573 4.191 20 30 HIEDRO C=CCn1c(COCc2ccccc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508956324 917713549 /nfs/dbraw/zinc/71/35/49/917713549.db2.gz OWLKFRDILIFBNF-FYYLOGMGSA-N 1 0 423.605 4.272 20 30 HIEDRO C=CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508997211 917750129 /nfs/dbraw/zinc/75/01/29/917750129.db2.gz QJLIOITUCQCWSE-UHFFFAOYSA-N 1 0 415.969 4.248 20 30 HIEDRO C=CCn1c(CCc2ccco2)nnc1N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000509002078 917756567 /nfs/dbraw/zinc/75/65/67/917756567.db2.gz PUXUPXZDHFUZCU-HXUWFJFHSA-N 1 0 411.594 4.323 20 30 HIEDRO Cc1nc2sccn2c(=O)c1CC[NH2+][C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000509006811 917761419 /nfs/dbraw/zinc/76/14/19/917761419.db2.gz MRLWUIMSJMKKQW-INIZCTEOSA-N 1 0 414.534 4.496 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)[C@@H](C)c2ccccn2)c1C#N ZINC000509084954 917828222 /nfs/dbraw/zinc/82/82/22/917828222.db2.gz QAAVDZUIVVGAGX-SFHVURJKSA-N 1 0 405.502 4.035 20 30 HIEDRO C=CCOc1ccc(C[N@@H+](CCc2c(C)nc3sccn3c2=O)C(C)(C)C)cc1 ZINC000509391372 918057697 /nfs/dbraw/zinc/05/76/97/918057697.db2.gz YJJFVBZAFFVSRT-UHFFFAOYSA-N 1 0 411.571 4.472 20 30 HIEDRO N#CCCCOc1cccc(C[NH+]2CCC(NC(=O)Nc3ccc(F)cc3)CC2)c1 ZINC000509749037 918367699 /nfs/dbraw/zinc/36/76/99/918367699.db2.gz FUGGRRREWHGYAT-UHFFFAOYSA-N 1 0 410.493 4.294 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000510236776 918776125 /nfs/dbraw/zinc/77/61/25/918776125.db2.gz LDVWLKKTZDMHDJ-UHFFFAOYSA-N 1 0 418.585 4.147 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)c1 ZINC000510422571 918888359 /nfs/dbraw/zinc/88/83/59/918888359.db2.gz AVADSSRXBWCHKV-RBBKRZOGSA-N 1 0 415.541 4.235 20 30 HIEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(COc2ccccc2C#N)o1)[NH+](C)C ZINC000510526640 918973089 /nfs/dbraw/zinc/97/30/89/918973089.db2.gz UBGXZIJXFPYCEJ-HOYKHHGWSA-N 1 0 417.509 4.460 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+](CCO)[C@@H]2CCc3ccccc32)sc2c1CCCCC2 ZINC000510636685 919077354 /nfs/dbraw/zinc/07/73/54/919077354.db2.gz CLIPCKCFKKYRHC-OAQYLSRUSA-N 1 0 423.582 4.199 20 30 HIEDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC000510873344 919368322 /nfs/dbraw/zinc/36/83/22/919368322.db2.gz FNKPGUMZJICVJW-UHFFFAOYSA-N 1 0 420.557 4.153 20 30 HIEDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)c1ccccc1 ZINC000511192520 919810270 /nfs/dbraw/zinc/81/02/70/919810270.db2.gz QOKCDFGKXJAKAM-GOSISDBHSA-N 1 0 422.548 4.159 20 30 HIEDRO C[C@@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511282645 919877471 /nfs/dbraw/zinc/87/74/71/919877471.db2.gz AVHIYSHMFNEWSN-IEBWSBKVSA-N 1 0 407.514 4.113 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2ccc(OC)cc2OC)CC2CCC2)CC1 ZINC000511430190 920041927 /nfs/dbraw/zinc/04/19/27/920041927.db2.gz USQGLHWWRMYOJR-UHFFFAOYSA-N 1 0 415.578 4.056 20 30 HIEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000511464686 920073854 /nfs/dbraw/zinc/07/38/54/920073854.db2.gz ZDMRHKDFRCNIRL-UHFFFAOYSA-N 1 0 422.548 4.024 20 30 HIEDRO C=CCc1cc(C[NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)cc(OC)c1O ZINC000512240062 920997386 /nfs/dbraw/zinc/99/73/86/920997386.db2.gz HDSDZVTWELTZPO-KRWDZBQOSA-N 1 0 422.447 4.396 20 30 HIEDRO N#Cc1cc(F)cc(C2(C(=O)NCc3ccccc3C[NH+]3CCCCCC3)CC2)c1 ZINC000512316283 921066449 /nfs/dbraw/zinc/06/64/49/921066449.db2.gz UQZQWVBDVPNIHJ-UHFFFAOYSA-N 1 0 405.517 4.421 20 30 HIEDRO C=CCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)cc1OC ZINC000513459752 921824987 /nfs/dbraw/zinc/82/49/87/921824987.db2.gz HITNOPDBAQDUSL-UHFFFAOYSA-N 1 0 412.555 4.370 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(NC(=O)c4ccco4)cc3)CC2)cc1 ZINC000513708402 922028058 /nfs/dbraw/zinc/02/80/58/922028058.db2.gz RLKFYNKWQFBPOS-UHFFFAOYSA-N 1 0 400.482 4.162 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000513863984 922192299 /nfs/dbraw/zinc/19/22/99/922192299.db2.gz OTODJBKFCFWIEZ-UHFFFAOYSA-N 1 0 406.530 4.129 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCc3sccc3C2)c1C#N ZINC000514332551 922598358 /nfs/dbraw/zinc/59/83/58/922598358.db2.gz VZLKXIBOLZIAKA-UHFFFAOYSA-N 1 0 408.527 4.066 20 30 HIEDRO C=CCc1ccc(OC[C@H](O)C[N@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)c(OC)c1 ZINC000515013521 922876338 /nfs/dbraw/zinc/87/63/38/922876338.db2.gz HSTCBXINIKLUJR-FGTMMUONSA-N 1 0 401.469 4.216 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc(-c4ccccc4)o3)CC2)cc1 ZINC000515819421 923372600 /nfs/dbraw/zinc/37/26/00/923372600.db2.gz GGVOWQRRCBAVFX-UHFFFAOYSA-N 1 0 414.509 4.236 20 30 HIEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000516472307 923750368 /nfs/dbraw/zinc/75/03/68/923750368.db2.gz XXWVODATCSXXJY-IBGZPJMESA-N 1 0 423.532 4.211 20 30 HIEDRO C=CC[N@H+](Cc1csc(Br)c1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000517529661 924248263 /nfs/dbraw/zinc/24/82/63/924248263.db2.gz IUMMBKWOVDGFHP-CYBMUJFWSA-N 1 0 404.337 4.236 20 30 HIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000517540115 924253503 /nfs/dbraw/zinc/25/35/03/924253503.db2.gz NTLQHGQJWGWPPC-DYESRHJHSA-N 1 0 415.459 4.192 20 30 HIEDRO COc1ccc2c(c1)CCC[C@@H]2[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000517605855 926713170 /nfs/dbraw/zinc/71/31/70/926713170.db2.gz DKGJMAPZLCTZOM-FQEVSTJZSA-N 1 0 409.555 4.455 20 30 HIEDRO C[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)[N@H+](C)Cc1ccccc1 ZINC000517657494 926765150 /nfs/dbraw/zinc/76/51/50/926765150.db2.gz ZGGKQEFKTQMLKG-FQEVSTJZSA-N 1 0 413.521 4.388 20 30 HIEDRO N#Cc1ccccc1OC1CCC(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000517691985 926796611 /nfs/dbraw/zinc/79/66/11/926796611.db2.gz BEPVEWIRZDEPEZ-UHFFFAOYSA-N 1 0 417.553 4.277 20 30 HIEDRO CC[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000517781118 926833629 /nfs/dbraw/zinc/83/36/29/926833629.db2.gz HVCLYHTVWCUSEG-XMMPIXPASA-N 1 0 404.558 4.315 20 30 HIEDRO CCc1ccc([C@@H](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[NH+](C)C)cc1 ZINC000518389937 927237071 /nfs/dbraw/zinc/23/70/71/927237071.db2.gz IXNVXEVRXLOAIT-HSZRJFAPSA-N 1 0 414.509 4.341 20 30 HIEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000518471218 927295098 /nfs/dbraw/zinc/29/50/98/927295098.db2.gz XXVUPMRTLOBHEF-LJQANCHMSA-N 1 0 410.493 4.128 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)CC1 ZINC000518580148 927360123 /nfs/dbraw/zinc/36/01/23/927360123.db2.gz JLLWAHZDXMVHKQ-UHFFFAOYSA-N 1 0 406.246 4.240 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)CC1 ZINC000519275456 927859892 /nfs/dbraw/zinc/85/98/92/927859892.db2.gz PDPYNGKTCVLGPL-UHFFFAOYSA-N 1 0 419.525 4.404 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N(C)CCCCCc2cc(-c3ccccc3)no2)CC1 ZINC000519300560 927870971 /nfs/dbraw/zinc/87/09/71/927870971.db2.gz RIGUXOIHVWWHON-UHFFFAOYSA-N 1 0 410.562 4.346 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000520131591 928329085 /nfs/dbraw/zinc/32/90/85/928329085.db2.gz HASIAWKVKPLCKH-HSZRJFAPSA-N 1 0 418.541 4.102 20 30 HIEDRO CC[NH+](CC)[C@@H](C(=O)NC1CCC(Oc2ccccc2C#N)CC1)c1ccccc1 ZINC000520367044 928523258 /nfs/dbraw/zinc/52/32/58/928523258.db2.gz CKQWPPGYQHQONN-UBVWURDFSA-N 1 0 405.542 4.448 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC[N@@H+](C)C2CCCCC2)cc1C ZINC000520634792 928689879 /nfs/dbraw/zinc/68/98/79/928689879.db2.gz MNOYRKMMYXOWAQ-UHFFFAOYSA-N 1 0 407.562 4.075 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cc(-c3ccc(C)s3)nc3c2cnn3C(C)C)CC1 ZINC000520691353 928738739 /nfs/dbraw/zinc/73/87/39/928738739.db2.gz JYFJGJVYXGGAQV-UHFFFAOYSA-N 1 0 423.586 4.429 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@H](c1ccc(CC)cc1)[NH+](C)C ZINC000521075437 928975257 /nfs/dbraw/zinc/97/52/57/928975257.db2.gz OIDUPVITHLXOAL-JOCHJYFZSA-N 1 0 410.518 4.158 20 30 HIEDRO COc1ccc(Br)cc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000521862282 929512844 /nfs/dbraw/zinc/51/28/44/929512844.db2.gz YWDVGLHBQRATNZ-QGZVFWFLSA-N 1 0 418.310 4.227 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccsc1 ZINC000524526477 929665407 /nfs/dbraw/zinc/66/54/07/929665407.db2.gz JBZDGLYZLCZTNM-JOCHJYFZSA-N 1 0 405.523 4.231 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000524580848 929697480 /nfs/dbraw/zinc/69/74/80/929697480.db2.gz BRGACLPIOZQUIM-UHFFFAOYSA-N 1 0 405.608 4.259 20 30 HIEDRO C[C@H](OC[C@@H](O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000524666529 929781629 /nfs/dbraw/zinc/78/16/29/929781629.db2.gz CAVKGYRACXAXTE-UWJYYQICSA-N 1 0 414.933 4.194 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)c1 ZINC000524757546 929820208 /nfs/dbraw/zinc/82/02/08/929820208.db2.gz BVEZUGVOGJSMOI-DEOSSOPVSA-N 1 0 404.558 4.453 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1OC(C)C ZINC000525761012 930434460 /nfs/dbraw/zinc/43/44/60/930434460.db2.gz JOXSVTVJHXIIBU-OALUTQOASA-N 1 0 409.530 4.468 20 30 HIEDRO Cc1c[nH+]ccc1N1CCC(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)CC1 ZINC000530727402 930809062 /nfs/dbraw/zinc/80/90/62/930809062.db2.gz JWABTCNIXSPFRM-UHFFFAOYSA-N 1 0 417.538 4.164 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(Cl)cc1 ZINC000530829290 930833738 /nfs/dbraw/zinc/83/37/38/930833738.db2.gz ZUXFHFVZRMPNNT-FQEVSTJZSA-N 1 0 423.900 4.416 20 30 HIEDRO O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)c1ccc(C#Cc2ccccc2)cc1 ZINC000531019327 930886967 /nfs/dbraw/zinc/88/69/67/930886967.db2.gz VGUYRJNULIEDHI-UHFFFAOYSA-N 1 0 410.517 4.295 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc(C#N)cc1 ZINC000531695242 931158010 /nfs/dbraw/zinc/15/80/10/931158010.db2.gz BWLGEGUMDZPUHR-IRXDYDNUSA-N 1 0 409.511 4.042 20 30 HIEDRO Cn1c(C[NH2+]CCSCc2ccccc2C#N)nc2cc(C(F)(F)F)ccc21 ZINC000531857394 931222513 /nfs/dbraw/zinc/22/25/13/931222513.db2.gz INEVEQXLYMOCPV-UHFFFAOYSA-N 1 0 404.461 4.487 20 30 HIEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000532661658 931572004 /nfs/dbraw/zinc/57/20/04/931572004.db2.gz NHCBEEYMKRTJOY-CQSZACIVSA-N 1 0 413.319 4.127 20 30 HIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000532699583 931593801 /nfs/dbraw/zinc/59/38/01/931593801.db2.gz UZRZDYNRMOYVSF-FGTMMUONSA-N 1 0 414.619 4.164 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)CN2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1Cl ZINC000532700705 931595310 /nfs/dbraw/zinc/59/53/10/931595310.db2.gz ZBSLNTNAHXTRDV-SVFBPWRDSA-N 1 0 416.997 4.232 20 30 HIEDRO CC(C)[N@H+](C)CC1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000532949832 931708006 /nfs/dbraw/zinc/70/80/06/931708006.db2.gz XHLIDPCDQNLQKK-QGZVFWFLSA-N 1 0 416.635 4.268 20 30 HIEDRO COc1ccccc1[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 ZINC000532967765 931719351 /nfs/dbraw/zinc/71/93/51/931719351.db2.gz HSIPMJRACPJKIP-INIZCTEOSA-N 1 0 409.555 4.325 20 30 HIEDRO CCC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000532970891 931720139 /nfs/dbraw/zinc/72/01/39/931720139.db2.gz ACDHSLGBLKLVDJ-DQLDELGASA-N 1 0 415.603 4.353 20 30 HIEDRO CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@@H]1C ZINC000532988276 931727499 /nfs/dbraw/zinc/72/74/99/931727499.db2.gz SPGIJNILFJURLD-UWJYYQICSA-N 1 0 413.610 4.225 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)cc2cccnc21 ZINC000533110886 931773197 /nfs/dbraw/zinc/77/31/97/931773197.db2.gz CXAUAIUZBNFZQV-UHFFFAOYSA-N 1 0 407.905 4.356 20 30 HIEDRO CC(C)[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccc(Cl)cc1 ZINC000533224281 931814138 /nfs/dbraw/zinc/81/41/38/931814138.db2.gz KIJBSQTVRQBGJM-NRFANRHFSA-N 1 0 407.905 4.323 20 30 HIEDRO COc1cc(C[N@@H+]2CCC[C@H](c3ccnn3C)C2)ccc1OCc1cccc(C#N)c1 ZINC000533243201 931817343 /nfs/dbraw/zinc/81/73/43/931817343.db2.gz JVIBYTOONGHEJM-QFIPXVFZSA-N 1 0 416.525 4.259 20 30 HIEDRO CC(C)C[N@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000533254955 931820181 /nfs/dbraw/zinc/82/01/81/931820181.db2.gz QOCMFXQCNBITHQ-QHCPKHFHSA-N 1 0 418.566 4.379 20 30 HIEDRO CCC(CC)[N@H+](CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CC1 ZINC000533403828 931859550 /nfs/dbraw/zinc/85/95/50/931859550.db2.gz BBXIAEHEHZDPFH-LJQANCHMSA-N 1 0 412.578 4.009 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](C[C@@H](C)O)C2CCCCC2)c1C#N ZINC000533424630 931864086 /nfs/dbraw/zinc/86/40/86/931864086.db2.gz CELNTVMMJLPUSK-MRXNPFEDSA-N 1 0 400.567 4.046 20 30 HIEDRO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000533524007 931893867 /nfs/dbraw/zinc/89/38/67/931893867.db2.gz BAKHRBVRHQBJJW-AWEZNQCLSA-N 1 0 407.905 4.295 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1)Cc1ccccc1 ZINC000533812667 932043202 /nfs/dbraw/zinc/04/32/02/932043202.db2.gz KSHSUZHYKSFVHR-HSZRJFAPSA-N 1 0 413.521 4.448 20 30 HIEDRO C=CCOc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CCN(C)CC2)c1 ZINC000534205431 932330747 /nfs/dbraw/zinc/33/07/47/932330747.db2.gz FVFAOXLJPUPZBU-DHIUTWEWSA-N 1 0 414.594 4.052 20 30 HIEDRO Cc1cnc(CC[N@H+](C)CCC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000534381202 932408896 /nfs/dbraw/zinc/40/88/96/932408896.db2.gz PIUXTBGBUZVLRO-UHFFFAOYSA-N 1 0 402.589 4.157 20 30 HIEDRO C=CCc1cc(C[NH2+][C@@H](CC)[C@H](c2ccc(C)cc2)n2cncn2)cc(OC)c1O ZINC000534450257 932464684 /nfs/dbraw/zinc/46/46/84/932464684.db2.gz GIVJFYIZBJEOHC-GMAHTHKFSA-N 1 0 406.530 4.187 20 30 HIEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](Sc2ccccc2F)c2ccccc2)c1C#N ZINC000534795130 932775511 /nfs/dbraw/zinc/77/55/11/932775511.db2.gz ZTZRNZXTWGRZTO-FQEVSTJZSA-N 1 0 423.517 4.045 20 30 HIEDRO CN1CCN([C@@H](C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)c2cccs2)CC1 ZINC000535784325 933386161 /nfs/dbraw/zinc/38/61/61/933386161.db2.gz IKEZWFUDRZRXDP-MHIUNMELSA-N 1 0 408.615 4.030 20 30 HIEDRO N#CC1(c2ccccc2)CCC(Nc2ccccc2C[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000536103981 933656214 /nfs/dbraw/zinc/65/62/14/933656214.db2.gz UQJMJTZMCQCLBD-LAJDMCDJSA-N 1 0 416.569 4.200 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1cccc(C#N)c1 ZINC000537296746 933702290 /nfs/dbraw/zinc/70/22/90/933702290.db2.gz VXHXNJPLHDXQRV-HNNXBMFYSA-N 1 0 400.320 4.020 20 30 HIEDRO Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000537297609 933703324 /nfs/dbraw/zinc/70/33/24/933703324.db2.gz YUUOJPPTNBXJLA-UHFFFAOYSA-N 1 0 413.569 4.174 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(Cc4cccnc4)CC3)sc2C1 ZINC000537840355 938387077 /nfs/dbraw/zinc/38/70/77/938387077.db2.gz CNNQKIGZIISLIM-QGZVFWFLSA-N 1 0 422.598 4.423 20 30 HIEDRO C=C(C)CN1CCC([NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1 ZINC000537999693 938457660 /nfs/dbraw/zinc/45/76/60/938457660.db2.gz FCSVXXPZKGXFBU-UHFFFAOYSA-N 1 0 406.412 4.044 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)NCCSCc2ccc(Cl)cc2Cl)CC1 ZINC000538126400 938512398 /nfs/dbraw/zinc/51/23/98/938512398.db2.gz SRHBJKOONUFJKO-UHFFFAOYSA-N 1 0 402.391 4.176 20 30 HIEDRO COc1cc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)ccc1OC1CCCC1 ZINC000538155429 938525983 /nfs/dbraw/zinc/52/59/83/938525983.db2.gz MELBVTNNEDDAGU-MFEFFIJZSA-N 1 0 401.551 4.110 20 30 HIEDRO Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(OCC(F)(F)F)cc2)c(C#N)c1C ZINC000538161213 938530569 /nfs/dbraw/zinc/53/05/69/938530569.db2.gz KXYVRXUTODEONV-QWHCGFSZSA-N 1 0 409.408 4.387 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000538191354 938546686 /nfs/dbraw/zinc/54/66/86/938546686.db2.gz SPBNQOXIUUBZJJ-HFJQGTKSSA-N 1 0 409.555 4.387 20 30 HIEDRO COCCSc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000538205700 938553528 /nfs/dbraw/zinc/55/35/28/938553528.db2.gz ZEUHAEIHHCQEES-CABCVRRESA-N 1 0 401.532 4.184 20 30 HIEDRO N#CCCN(C(=O)C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)c1cccc(Cl)c1 ZINC000538231482 938566028 /nfs/dbraw/zinc/56/60/28/938566028.db2.gz PIUDJFZPUMQTGQ-PGRDOPGGSA-N 1 0 411.933 4.344 20 30 HIEDRO C=CCC[C@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000538228941 938566473 /nfs/dbraw/zinc/56/64/73/938566473.db2.gz BVJUUGDPDYHOPK-FQEVSTJZSA-N 1 0 401.432 4.490 20 30 HIEDRO Cc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000538277479 938581738 /nfs/dbraw/zinc/58/17/38/938581738.db2.gz QERCPBDQDMBWLG-HNNXBMFYSA-N 1 0 400.866 4.154 20 30 HIEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000538323710 938592664 /nfs/dbraw/zinc/59/26/64/938592664.db2.gz SLAKANMQJCBRTM-GOSISDBHSA-N 1 0 412.843 4.055 20 30 HIEDRO N#CCCCOc1cccc(CN2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000538718432 938689629 /nfs/dbraw/zinc/68/96/29/938689629.db2.gz RNMPXBVSKINJSN-QHCPKHFHSA-N 1 0 419.525 4.297 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@H+](C)[C@@H](C)[C@H]3C)sc2C1 ZINC000538946104 938744028 /nfs/dbraw/zinc/74/40/28/938744028.db2.gz LWJWLTKOCOAERB-GVDBMIGSSA-N 1 0 416.635 4.124 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCc3sc(-c4csc(C)n4)cc3C2)CC1 ZINC000538976753 938757045 /nfs/dbraw/zinc/75/70/45/938757045.db2.gz YAGVSNPGFBDGMR-UHFFFAOYSA-N 1 0 416.616 4.288 20 30 HIEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]C2CCC(Oc3ccccc3C#N)CC2)cc1 ZINC000539079154 938797389 /nfs/dbraw/zinc/79/73/89/938797389.db2.gz LIJPPPIHOHRQGZ-QXAHSBQVSA-N 1 0 407.514 4.264 20 30 HIEDRO C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000539083501 938798898 /nfs/dbraw/zinc/79/88/98/938798898.db2.gz ZSILGGWBJGQKIB-XPCIYKLFSA-N 1 0 419.569 4.300 20 30 HIEDRO CC[C@@H]([NH2+]CC#Cc1ccc(C(F)(F)F)cc1)c1ccccc1OCC(=O)N(C)C ZINC000539088793 938800439 /nfs/dbraw/zinc/80/04/39/938800439.db2.gz ZJBFWCZJRHVTTE-HXUWFJFHSA-N 1 0 418.459 4.265 20 30 HIEDRO COc1cc([C@H](C)[NH2+]CC(=O)Nc2sccc2C#N)ccc1OCc1ccccc1 ZINC000539251821 938826174 /nfs/dbraw/zinc/82/61/74/938826174.db2.gz AZVJQKNNUQAFSJ-INIZCTEOSA-N 1 0 421.522 4.497 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000539265289 938829851 /nfs/dbraw/zinc/82/98/51/938829851.db2.gz GYDMGYMTMQFCSG-QGZVFWFLSA-N 1 0 403.457 4.457 20 30 HIEDRO COc1cc([C@H](C)[NH2+]CC(=O)N(C)C2(C#N)CCCCC2)ccc1OCC(C)C ZINC000539269187 938830721 /nfs/dbraw/zinc/83/07/21/938830721.db2.gz ATIPITPPVHXCEB-SFHVURJKSA-N 1 0 401.551 4.065 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)c1cccc(-n2cccn2)c1 ZINC000539287988 938833932 /nfs/dbraw/zinc/83/39/32/938833932.db2.gz GDATTWGWTWKQIN-MRXNPFEDSA-N 1 0 419.554 4.364 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000539293747 938835339 /nfs/dbraw/zinc/83/53/39/938835339.db2.gz XEFIJLZRMTVRKT-FHJLPGHOSA-N 1 0 409.555 4.244 20 30 HIEDRO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000539304969 938837736 /nfs/dbraw/zinc/83/77/36/938837736.db2.gz DQTQAXUWIVKGHW-SFHVURJKSA-N 1 0 409.505 4.398 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+]C(C)(C)c1cccc(Cl)c1 ZINC000539312314 938839255 /nfs/dbraw/zinc/83/92/55/938839255.db2.gz JWSCHAVLRYCOFK-UHFFFAOYSA-N 1 0 416.953 4.130 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)c1C#N ZINC000539332324 938843113 /nfs/dbraw/zinc/84/31/13/938843113.db2.gz PZKVCUUDSSMTSI-UHFFFAOYSA-N 1 0 406.555 4.442 20 30 HIEDRO COc1ccccc1[C@H](CC(C)C)[NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000539377918 938851556 /nfs/dbraw/zinc/85/15/56/938851556.db2.gz WVKHCNGNIDHJTI-NRFANRHFSA-N 1 0 417.513 4.068 20 30 HIEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000539498403 938868856 /nfs/dbraw/zinc/86/88/56/938868856.db2.gz OIZXBCGEAUUZHE-IBGZPJMESA-N 1 0 402.542 4.000 20 30 HIEDRO COc1ccc([C@H](CO)[N@H+](C)Cc2cccc(OCc3cccc(C#N)c3)c2)cc1 ZINC000539827657 938948508 /nfs/dbraw/zinc/94/85/08/938948508.db2.gz PEJHMYRWFKSIJK-VWLOTQADSA-N 1 0 402.494 4.311 20 30 HIEDRO Cc1c([C@@H](C)[NH2+]C2CCC(Oc3ccccc3C#N)CC2)nnn1-c1ccccc1 ZINC000540179885 939107740 /nfs/dbraw/zinc/10/77/40/939107740.db2.gz JBRJZGUIKMFDGA-FEPNQTLGSA-N 1 0 401.514 4.488 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000540353717 939205281 /nfs/dbraw/zinc/20/52/81/939205281.db2.gz FEQGDUIIGHKHOU-FJJGWFQOSA-N 1 0 410.562 4.005 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cccc(-n2cccn2)c1 ZINC000540388078 939224606 /nfs/dbraw/zinc/22/46/06/939224606.db2.gz MWTKMSDKMXLVRX-INIZCTEOSA-N 1 0 419.554 4.364 20 30 HIEDRO Cc1ccccc1[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)(C)C ZINC000540459871 939261078 /nfs/dbraw/zinc/26/10/78/939261078.db2.gz SOGGJUMHVXWDND-QFIPXVFZSA-N 1 0 401.514 4.368 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1ccccc1C(F)(F)F ZINC000540459884 939261544 /nfs/dbraw/zinc/26/15/44/939261544.db2.gz TUDSAQDJQBMPNE-AWEZNQCLSA-N 1 0 413.403 4.052 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3nc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC000540608410 939318669 /nfs/dbraw/zinc/31/86/69/939318669.db2.gz YPYBOVDDAUWRJP-UHFFFAOYSA-N 1 0 421.932 4.058 20 30 HIEDRO CN1C(=O)C[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000540628447 939323099 /nfs/dbraw/zinc/32/30/99/939323099.db2.gz PSDGKJNUHZQNEW-IYTFSXHPSA-N 1 0 409.480 4.230 20 30 HIEDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1N1CCOCC1)c1ccc(C#N)c(F)c1 ZINC000540706551 939344589 /nfs/dbraw/zinc/34/45/89/939344589.db2.gz BSDSUICFGIFMJZ-CQSZACIVSA-N 1 0 418.310 4.147 20 30 HIEDRO C[C@@H]([NH2+]Cc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541084846 939454157 /nfs/dbraw/zinc/45/41/57/939454157.db2.gz BOPBPYIRNYTPPY-OAHLLOKOSA-N 1 0 400.438 4.083 20 30 HIEDRO COc1cc(C#N)ccc1OCCN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000541087306 939455450 /nfs/dbraw/zinc/45/54/50/939455450.db2.gz YBGHXNOQJDQADC-FQEVSTJZSA-N 1 0 406.404 4.038 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(OC)c2)cc1 ZINC000541320579 939490773 /nfs/dbraw/zinc/49/07/73/939490773.db2.gz ZNBIYADCRPJBIC-CYFREDJKSA-N 1 0 421.541 4.424 20 30 HIEDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+][C@H](C)C(=O)N[C@](C)(C#N)C(C)C)s2)cc1 ZINC000541640176 939582259 /nfs/dbraw/zinc/58/22/59/939582259.db2.gz NFZCCLDEUDAHQQ-GZWGPKMKSA-N 1 0 414.575 4.221 20 30 HIEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H](C)[C@H]2COc3ccccc32)c1C#N ZINC000541699098 939607924 /nfs/dbraw/zinc/60/79/24/939607924.db2.gz LKRQNCAALQXFJA-VGOFRKELSA-N 1 0 414.509 4.059 20 30 HIEDRO C=CCC[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000541967340 939664765 /nfs/dbraw/zinc/66/47/65/939664765.db2.gz UQLPGYMILWEDQG-ZEQRLZLVSA-N 1 0 407.558 4.150 20 30 HIEDRO C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000542144610 939729786 /nfs/dbraw/zinc/72/97/86/939729786.db2.gz ROKSNIOLYGPZJX-IJNIYJAUSA-N 1 0 412.921 4.304 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542533296 939838907 /nfs/dbraw/zinc/83/89/07/939838907.db2.gz LSZIEDMBXCCGCU-QRVBRYPASA-N 1 0 414.619 4.262 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC3(CCOCC3)[C@H]2C)cc1OC ZINC000542708664 939855676 /nfs/dbraw/zinc/85/56/76/939855676.db2.gz KUXHSDRWAVTISQ-OAHLLOKOSA-N 1 0 410.352 4.414 20 30 HIEDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543029179 939898709 /nfs/dbraw/zinc/89/87/09/939898709.db2.gz AEDBSMKSZYGXHB-MHECFPHRSA-N 1 0 405.542 4.196 20 30 HIEDRO C[C@H](Sc1cccc(Cl)c1C#N)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000543032356 939899193 /nfs/dbraw/zinc/89/91/93/939899193.db2.gz XLZMOJBIULBUBU-INIZCTEOSA-N 1 0 413.974 4.473 20 30 HIEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C ZINC000543516571 940092954 /nfs/dbraw/zinc/09/29/54/940092954.db2.gz XDKMVJWPKCZCTK-ZUOKHONESA-N 1 0 404.967 4.477 20 30 HIEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000543517125 940093586 /nfs/dbraw/zinc/09/35/86/940093586.db2.gz MPHHQRKVCBNQRN-UZLBHIALSA-N 1 0 407.539 4.389 20 30 HIEDRO C=CCn1c(-c2ncccc2C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000563780429 945300295 /nfs/dbraw/zinc/30/02/95/945300295.db2.gz GODLNSGSMLFILG-IFMALSPDSA-N 1 0 416.573 4.324 20 30 HIEDRO C=CCn1c(-c2ncccc2C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000563780433 945300487 /nfs/dbraw/zinc/30/04/87/945300487.db2.gz GODLNSGSMLFILG-UNMCSNQZSA-N 1 0 416.573 4.324 20 30 HIEDRO Cc1cc(N2CCSCC2)ccc1NC1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000543760176 940177149 /nfs/dbraw/zinc/17/71/49/940177149.db2.gz MLUAIERQACOZAY-UHFFFAOYSA-N 1 0 406.599 4.496 20 30 HIEDRO COCc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 ZINC000543870500 940217918 /nfs/dbraw/zinc/21/79/18/940217918.db2.gz BBDWHTIWFCEHPM-IBGZPJMESA-N 1 0 413.521 4.339 20 30 HIEDRO COCc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)cc1 ZINC000543870501 940218291 /nfs/dbraw/zinc/21/82/91/940218291.db2.gz BBDWHTIWFCEHPM-LJQANCHMSA-N 1 0 413.521 4.339 20 30 HIEDRO Cc1csc2nc(C[NH2+][C@@H](C)c3ccc(-c4cccc(C#N)c4)cc3)cc(=O)n12 ZINC000543875047 940220818 /nfs/dbraw/zinc/22/08/18/940220818.db2.gz FWWGZDMNPWVSBA-INIZCTEOSA-N 1 0 400.507 4.454 20 30 HIEDRO Cc1ccnc(OC2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)c1 ZINC000543894935 940230287 /nfs/dbraw/zinc/23/02/87/940230287.db2.gz AOEOHCYATMZTBK-UHFFFAOYSA-N 1 0 424.570 4.074 20 30 HIEDRO COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@@H+]2CC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000544130849 940334001 /nfs/dbraw/zinc/33/40/01/940334001.db2.gz VYQWYXHASRRYIU-CAOCKLPOSA-N 1 0 405.542 4.280 20 30 HIEDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)NCc1cccc(C#N)c1 ZINC000544481858 940450713 /nfs/dbraw/zinc/45/07/13/940450713.db2.gz ATHSCEJADMCMHS-AWEZNQCLSA-N 1 0 408.502 4.096 20 30 HIEDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000563906325 945322496 /nfs/dbraw/zinc/32/24/96/945322496.db2.gz SERVPRGUZWLQNA-HXUWFJFHSA-N 1 0 406.505 4.067 20 30 HIEDRO COc1cc(C#N)ccc1NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000546003334 940673475 /nfs/dbraw/zinc/67/34/75/940673475.db2.gz PDOOFKCKGQXLJH-UHFFFAOYSA-N 1 0 412.921 4.254 20 30 HIEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+]C(C)(C)c2ccc(C)nc2)c1C#N ZINC000546102878 940699992 /nfs/dbraw/zinc/69/99/92/940699992.db2.gz RFMHTEAAHWDIOX-UHFFFAOYSA-N 1 0 419.504 4.272 20 30 HIEDRO COc1cc(C#N)ccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000546711016 940871430 /nfs/dbraw/zinc/87/14/30/940871430.db2.gz DUNUEXJGGFTWLP-UNMCSNQZSA-N 1 0 404.514 4.085 20 30 HIEDRO C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000546789529 940883281 /nfs/dbraw/zinc/88/32/81/940883281.db2.gz MDEWYCNSRJXMKW-KRWDZBQOSA-N 1 0 411.933 4.011 20 30 HIEDRO COc1cc(C#N)ccc1OCCCc1nc(-c2ccccc2C[NH+]2CCCC2)no1 ZINC000546940782 940919868 /nfs/dbraw/zinc/91/98/68/940919868.db2.gz DGGNUFLVSOKZAB-UHFFFAOYSA-N 1 0 418.497 4.224 20 30 HIEDRO CC[NH+](CC)CCOc1ccccc1-c1noc([C@@H](C)Oc2ccccc2C#N)n1 ZINC000547010942 940955162 /nfs/dbraw/zinc/95/51/62/940955162.db2.gz MZDMMLFIBSPODV-QGZVFWFLSA-N 1 0 406.486 4.469 20 30 HIEDRO COc1ccc(-c2nc(NC(=O)C[NH2+][C@@H](C)c3ccc(C#N)cc3)sc2C)cc1 ZINC000548936355 941130980 /nfs/dbraw/zinc/13/09/80/941130980.db2.gz QEPWINSAPAKEPK-AWEZNQCLSA-N 1 0 406.511 4.288 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000549251684 941174360 /nfs/dbraw/zinc/17/43/60/941174360.db2.gz ZPXPPFCVLPOSTI-QGZVFWFLSA-N 1 0 401.530 4.100 20 30 HIEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)c2ccc(F)cc2F)CC1 ZINC000549273485 941175971 /nfs/dbraw/zinc/17/59/71/941175971.db2.gz ZAWQPYUAXKUSNP-INIZCTEOSA-N 1 0 412.488 4.011 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000549292323 941177595 /nfs/dbraw/zinc/17/75/95/941177595.db2.gz SBZLVXOCYJSKQJ-UHFFFAOYSA-N 1 0 418.383 4.251 20 30 HIEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000549298443 941178115 /nfs/dbraw/zinc/17/81/15/941178115.db2.gz RQEJHBBLUZZCQN-UHFFFAOYSA-N 1 0 416.573 4.382 20 30 HIEDRO Cc1nc(SCC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)c(C#N)c(C)c1C ZINC000549615530 941201451 /nfs/dbraw/zinc/20/14/51/941201451.db2.gz DURJEKBGNHSYFF-LJQANCHMSA-N 1 0 416.978 4.043 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000549637404 941202359 /nfs/dbraw/zinc/20/23/59/941202359.db2.gz NDPRVTNVVFPSMN-MOPGFXCFSA-N 1 0 415.557 4.301 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000549685413 941204417 /nfs/dbraw/zinc/20/44/17/941204417.db2.gz KKCZBSWBRIOFAJ-MOPGFXCFSA-N 1 0 415.557 4.301 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000549685416 941204429 /nfs/dbraw/zinc/20/44/29/941204429.db2.gz KKCZBSWBRIOFAJ-RTBURBONSA-N 1 0 415.557 4.301 20 30 HIEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000549691140 941204712 /nfs/dbraw/zinc/20/47/12/941204712.db2.gz WOKCEVRDEVUDLS-FQEVSTJZSA-N 1 0 408.594 4.397 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000549698095 941204963 /nfs/dbraw/zinc/20/49/63/941204963.db2.gz ASGPPERSLBTEEN-OALUTQOASA-N 1 0 415.557 4.301 20 30 HIEDRO C=C(C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549705732 941205235 /nfs/dbraw/zinc/20/52/35/941205235.db2.gz NKMDXEFJCXHOCJ-FQEVSTJZSA-N 1 0 416.573 4.442 20 30 HIEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000549734723 941205994 /nfs/dbraw/zinc/20/59/94/941205994.db2.gz POLKVMYPESKPQH-OAQYLSRUSA-N 1 0 413.635 4.455 20 30 HIEDRO COc1cc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1OCc1cccc(C#N)c1 ZINC000550238351 941302599 /nfs/dbraw/zinc/30/25/99/941302599.db2.gz BRRZGSMEMSEUHP-VWLOTQADSA-N 1 0 405.542 4.064 20 30 HIEDRO CSc1ccc([C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)N(C)C)cc1 ZINC000550320078 941314206 /nfs/dbraw/zinc/31/42/06/941314206.db2.gz SFZVQFKMFSBEKG-JOCHJYFZSA-N 1 0 405.571 4.073 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)sc2C1 ZINC000550358655 941318185 /nfs/dbraw/zinc/31/81/85/941318185.db2.gz DTYRHIXANPUAKO-IXDOHACOSA-N 1 0 416.635 4.124 20 30 HIEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)[C@H](C(F)(F)F)C1 ZINC000551275745 941441525 /nfs/dbraw/zinc/44/15/25/941441525.db2.gz ZQPLUNUBFLOHEG-NCXUSEDFSA-N 1 0 407.480 4.194 20 30 HIEDRO COCC[C@@H]([NH2+]CC(=O)Nc1oc(C)c(C)c1C#N)c1ccc(Cl)c(Cl)c1 ZINC000551424066 941476335 /nfs/dbraw/zinc/47/63/35/941476335.db2.gz VLJUPALVJYOIGQ-QGZVFWFLSA-N 1 0 410.301 4.381 20 30 HIEDRO COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000552202740 941601889 /nfs/dbraw/zinc/60/18/89/941601889.db2.gz JAPFTPWDDBRAMV-UHFFFAOYSA-N 1 0 413.905 4.092 20 30 HIEDRO C=CCC[C@H]([NH2+]C1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1)c1ccco1 ZINC000552246214 941612774 /nfs/dbraw/zinc/61/27/74/941612774.db2.gz MZDUEQRPIYUPMA-NRFANRHFSA-N 1 0 402.560 4.339 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCOc4c(Br)cccc43)CC2)cc1 ZINC000552257584 941615713 /nfs/dbraw/zinc/61/57/13/941615713.db2.gz MLUQRMGEMINYKV-FQEVSTJZSA-N 1 0 412.331 4.403 20 30 HIEDRO CC[C@H]([NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(OC(F)(F)F)cc1 ZINC000552276723 941620466 /nfs/dbraw/zinc/62/04/66/941620466.db2.gz HWJMLUOMLGLCFV-PMACEKPBSA-N 1 0 417.431 4.299 20 30 HIEDRO C[C@@H]1C[NH+](Cc2cccc(NC3CCN(c4ccc(C#N)cc4)CC3)c2)C[C@@H](C)O1 ZINC000552290072 941623284 /nfs/dbraw/zinc/62/32/84/941623284.db2.gz XENVQUFRTCFKSE-WOJBJXKFSA-N 1 0 404.558 4.248 20 30 HIEDRO CC[C@H]1Oc2cc([C@@H](C)[NH2+]Cc3ccc(C#N)cc3OC(F)F)ccc2NC1=O ZINC000553010241 941815084 /nfs/dbraw/zinc/81/50/84/941815084.db2.gz AADIYTUTHMVRLF-SJKOYZFVSA-N 1 0 401.413 4.120 20 30 HIEDRO N#Cc1ccc(CC(=O)N(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000553174330 941844887 /nfs/dbraw/zinc/84/48/87/941844887.db2.gz QAFVYOIUWPIFOX-SANMLTNESA-N 1 0 424.548 4.189 20 30 HIEDRO CCOc1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1OC ZINC000553242231 941855711 /nfs/dbraw/zinc/85/57/11/941855711.db2.gz ONAIRFYSPCUJNK-MRXNPFEDSA-N 1 0 415.921 4.345 20 30 HIEDRO N#CCC[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Br)c1ccccc1 ZINC000553386037 941877579 /nfs/dbraw/zinc/87/75/79/941877579.db2.gz NEDAQLRKXRQZJO-WMZOPIPTSA-N 1 0 423.738 4.477 20 30 HIEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)c2C1 ZINC000553434727 941884306 /nfs/dbraw/zinc/88/43/06/941884306.db2.gz PEALXPHBMKYZKG-LJQANCHMSA-N 1 0 406.505 4.134 20 30 HIEDRO CC(C)(C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1cc(F)cc(C#N)c1 ZINC000553510187 941899575 /nfs/dbraw/zinc/89/95/75/941899575.db2.gz WTLFLIFQQWZHBE-VWLOTQADSA-N 1 0 405.517 4.100 20 30 HIEDRO CN(C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000554132999 942045951 /nfs/dbraw/zinc/04/59/51/942045951.db2.gz REWDFEJUDWLNCY-AIZNXBIQSA-N 1 0 418.541 4.421 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000554160743 942052521 /nfs/dbraw/zinc/05/25/21/942052521.db2.gz VEQFCLKMSWDCEX-XMMPIXPASA-N 1 0 404.514 4.087 20 30 HIEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000554167397 942054800 /nfs/dbraw/zinc/05/48/00/942054800.db2.gz DPRQLNYIRQVALM-UHFFFAOYSA-N 1 0 411.546 4.411 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](CCO)c2ccc(Cl)cc2)ccc1Cl ZINC000554283762 942091003 /nfs/dbraw/zinc/09/10/03/942091003.db2.gz WAARAPWYYXHKMW-HXUWFJFHSA-N 1 0 420.340 4.262 20 30 HIEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000554399736 942126882 /nfs/dbraw/zinc/12/68/82/942126882.db2.gz JJNQUMPKDCVJIJ-CVDCTZTESA-N 1 0 418.541 4.422 20 30 HIEDRO C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000554626424 942179229 /nfs/dbraw/zinc/17/92/29/942179229.db2.gz OOOWJFSOHAIFIB-UHFFFAOYSA-N 1 0 406.578 4.179 20 30 HIEDRO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3cccc(OCc4ccccc4C#N)c3)n1)OC2 ZINC000554840670 942278223 /nfs/dbraw/zinc/27/82/23/942278223.db2.gz ZROAFGHNZGFKOB-QPPBQGQZSA-N 1 0 416.481 4.113 20 30 HIEDRO COc1ccc(C[N@H+](CCC(=O)Nc2sccc2C#N)[C@H](C)C2CC2)c(OC)c1 ZINC000554852300 942289754 /nfs/dbraw/zinc/28/97/54/942289754.db2.gz COQYZSVGSYRVDJ-OAHLLOKOSA-N 1 0 413.543 4.266 20 30 HIEDRO Cc1ccc(C[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)c(-c2cnn(C)c2)c1 ZINC000554923205 942320850 /nfs/dbraw/zinc/32/08/50/942320850.db2.gz NCASIRXLWFWVQJ-NRFANRHFSA-N 1 0 403.505 4.165 20 30 HIEDRO CCN1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2OC)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555132206 942396377 /nfs/dbraw/zinc/39/63/77/942396377.db2.gz HAGSKALNMMHYDU-UGKGYDQZSA-N 1 0 417.912 4.163 20 30 HIEDRO C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000555255308 942449119 /nfs/dbraw/zinc/44/91/19/942449119.db2.gz CSHGMTUNEDORQH-UHFFFAOYSA-N 1 0 411.594 4.478 20 30 HIEDRO C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000555266166 942454230 /nfs/dbraw/zinc/45/42/30/942454230.db2.gz WHNYLSUPGZFOKY-NRFANRHFSA-N 1 0 422.621 4.321 20 30 HIEDRO CN1CC[C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H]1c1ccccc1 ZINC000556124889 942808012 /nfs/dbraw/zinc/80/80/12/942808012.db2.gz KJPHQKJVKYJFEX-NZQKXSOJSA-N 1 0 422.598 4.252 20 30 HIEDRO CN1CC[C@@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCCC3)[C@H]1c1ccccc1 ZINC000556124888 942808119 /nfs/dbraw/zinc/80/81/19/942808119.db2.gz KJPHQKJVKYJFEX-NFBKMPQASA-N 1 0 422.598 4.252 20 30 HIEDRO N#Cc1cccc(C2([NH2+]CC(=O)Nc3ccc(Br)cc3Cl)CC2)c1 ZINC000556507931 942888291 /nfs/dbraw/zinc/88/82/91/942888291.db2.gz HFPQNWAUAIMGKO-UHFFFAOYSA-N 1 0 404.695 4.192 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2cccc(-c3cccc(Cl)c3)c2)CC1 ZINC000556563538 942899256 /nfs/dbraw/zinc/89/92/56/942899256.db2.gz KIDXIMHVRARJRE-UHFFFAOYSA-N 1 0 411.933 4.102 20 30 HIEDRO N#Cc1ccc2ncc(C[NH2+][C@H](c3cccc(C(F)(F)F)c3)C3CCOCC3)n2c1 ZINC000556607745 942913051 /nfs/dbraw/zinc/91/30/51/942913051.db2.gz AXICRJAGFYUCEH-NRFANRHFSA-N 1 0 414.431 4.482 20 30 HIEDRO N#CCCCn1cc(C(=O)N2CCN(c3cc[nH+]c4ccccc43)CC2)c2ccccc21 ZINC000556833251 942937742 /nfs/dbraw/zinc/93/77/42/942937742.db2.gz VDYBWSITYFIWSG-UHFFFAOYSA-N 1 0 423.520 4.456 20 30 HIEDRO Cc1cc(Cl)c2ncc(C#N)c(N3CCN(C4CC[NH+](C(C)C)CC4)CC3)c2c1 ZINC000558786198 943662880 /nfs/dbraw/zinc/66/28/80/943662880.db2.gz HMCJJEAGXQJCJH-UHFFFAOYSA-N 1 0 411.981 4.063 20 30 HIEDRO C=C(C)Cn1c(Cc2ccccc2Cl)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000558977133 943781283 /nfs/dbraw/zinc/78/12/83/943781283.db2.gz HSODLYSIESFBDT-LJQANCHMSA-N 1 0 413.997 4.411 20 30 HIEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000558980113 943782492 /nfs/dbraw/zinc/78/24/92/943782492.db2.gz DKPXEJNCPZPIRQ-NRFANRHFSA-N 1 0 408.594 4.317 20 30 HIEDRO C=C(C)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000559000717 943797668 /nfs/dbraw/zinc/79/76/68/943797668.db2.gz AXWROXMXBUCZEB-DENIHFKCSA-N 1 0 409.553 4.037 20 30 HIEDRO C=C(C)Cn1c(CC2CC2)nnc1N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000559011957 943803303 /nfs/dbraw/zinc/80/33/03/943803303.db2.gz XIPABLNLUIALGZ-UHFFFAOYSA-N 1 0 405.590 4.299 20 30 HIEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 ZINC000560246566 944205997 /nfs/dbraw/zinc/20/59/97/944205997.db2.gz STYQRKLFHOLQBS-XMMPIXPASA-N 1 0 415.493 4.392 20 30 HIEDRO CC[C@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000560543161 944248547 /nfs/dbraw/zinc/24/85/47/944248547.db2.gz AOGYFQLYIAXTDV-DQEYMECFSA-N 1 0 414.557 4.085 20 30 HIEDRO CC[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000560543163 944249214 /nfs/dbraw/zinc/24/92/14/944249214.db2.gz AOGYFQLYIAXTDV-JWQCQUIFSA-N 1 0 414.557 4.085 20 30 HIEDRO C=CC[C@H]1N(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2c2cnn(C)c2)CCCC1(C)C ZINC000560674519 944290026 /nfs/dbraw/zinc/29/00/26/944290026.db2.gz GWASSIDIIIDSDL-TZRRMPRUSA-N 1 0 420.601 4.229 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000561537919 944663360 /nfs/dbraw/zinc/66/33/60/944663360.db2.gz GQLPCTLXEDTGPR-LJQANCHMSA-N 1 0 411.468 4.376 20 30 HIEDRO C=CCOc1c(Br)cc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1OCC ZINC000561983073 944885828 /nfs/dbraw/zinc/88/58/28/944885828.db2.gz NAODBZXCGVAMIF-QAPCUYQASA-N 1 0 411.384 4.185 20 30 HIEDRO N#Cc1ccc(SCC(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000562121119 944953375 /nfs/dbraw/zinc/95/33/75/944953375.db2.gz VTTPVAPRYYHKMI-UHFFFAOYSA-N 1 0 405.567 4.165 20 30 HIEDRO N#Cc1ccc(CSCC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cc1 ZINC000562187001 945009829 /nfs/dbraw/zinc/00/98/29/945009829.db2.gz QNJGUZUXCBYRSD-HSZRJFAPSA-N 1 0 407.583 4.210 20 30 HIEDRO COc1ccc(C[C@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)cc1 ZINC000562243304 945038724 /nfs/dbraw/zinc/03/87/24/945038724.db2.gz PVOOMTMXEFVNPE-GOSISDBHSA-N 1 0 423.582 4.400 20 30 HIEDRO CSC1(CNC(=O)c2ccccc2Sc2ccccc2C#N)CC[NH+](C)CC1 ZINC000564597500 945695223 /nfs/dbraw/zinc/69/52/23/945695223.db2.gz NDAZFAJLYVCEPK-UHFFFAOYSA-N 1 0 411.596 4.267 20 30 HIEDRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2ccc(F)c(C(F)(F)F)c2)C1 ZINC000565272563 945800338 /nfs/dbraw/zinc/80/03/38/945800338.db2.gz YOKAHAQMDOERFV-GFCCVEGCSA-N 1 0 400.338 4.268 20 30 HIEDRO CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2CCCc3cc(C#N)ccc32)cc1 ZINC000565615924 945855460 /nfs/dbraw/zinc/85/54/60/945855460.db2.gz ZXOHDZGDWLVJQO-UZUQRXQVSA-N 1 0 411.571 4.317 20 30 HIEDRO C=CCOc1ccc(C[NH+]2CCC(Nc3cccc(C(=O)OC)c3)CC2)cc1OC ZINC000567026904 946220502 /nfs/dbraw/zinc/22/05/02/946220502.db2.gz YSZDDBSABAERKC-UHFFFAOYSA-N 1 0 410.514 4.123 20 30 HIEDRO CCOc1c(Br)cc(C[NH2+]Cc2ccc(C#N)c(OC)c2)cc1OC ZINC000567087683 946239381 /nfs/dbraw/zinc/23/93/81/946239381.db2.gz AWOGTCMXUCHVGU-UHFFFAOYSA-N 1 0 405.292 4.026 20 30 HIEDRO N#Cc1ccc(C[NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)c(C(F)(F)F)c1 ZINC000567088032 946239781 /nfs/dbraw/zinc/23/97/81/946239781.db2.gz SOENQEQSSIVOAP-HNNXBMFYSA-N 1 0 418.337 4.125 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000568029078 946446772 /nfs/dbraw/zinc/44/67/72/946446772.db2.gz SAWCVCCVYXKMMP-NRFANRHFSA-N 1 0 408.594 4.317 20 30 HIEDRO C[C@H]([NH2+]C1(Cc2cccc(F)c2)CCOCC1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000568537620 946580736 /nfs/dbraw/zinc/58/07/36/946580736.db2.gz ZROUJARJTQCAKF-HNNXBMFYSA-N 1 0 415.896 4.059 20 30 HIEDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000569968984 947056510 /nfs/dbraw/zinc/05/65/10/947056510.db2.gz PDTTUOWXFUKYOV-GMAHTHKFSA-N 1 0 406.551 4.436 20 30 HIEDRO CC(C)Oc1ccc([C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)N(C)C)cc1 ZINC000570240831 947161861 /nfs/dbraw/zinc/16/18/61/947161861.db2.gz AURNADCKVONXRT-XMMPIXPASA-N 1 0 417.557 4.138 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2c3ccccc3CC23CCOCC3)c1 ZINC000570731117 947338250 /nfs/dbraw/zinc/33/82/50/947338250.db2.gz FZCLEAUUWDVPIS-VWLOTQADSA-N 1 0 417.553 4.234 20 30 HIEDRO N#Cc1cc(Oc2ccc(NC(=O)N3CC[NH+](CC4CCCCC4)CC3)cc2)ccn1 ZINC000570978164 947408907 /nfs/dbraw/zinc/40/89/07/947408907.db2.gz PAQOCSUBXMPTNR-UHFFFAOYSA-N 1 0 419.529 4.475 20 30 HIEDRO C=CCn1c(-c2cccnc2)nnc1N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000571365798 947623517 /nfs/dbraw/zinc/62/35/17/947623517.db2.gz SZTNIOYWCQJZAY-SIKLNZKXSA-N 1 0 402.546 4.188 20 30 HIEDRO COc1ccc([C@H](CCC#N)[NH2+]Cc2ccc(C(=O)N3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000571752719 947774729 /nfs/dbraw/zinc/77/47/29/947774729.db2.gz PZOZFPQAPQXYQZ-GLDPYIMESA-N 1 0 421.541 4.079 20 30 HIEDRO C=CCOc1ccc(C[N@@H+]2CCC[C@H](c3nc(C(F)(F)F)cn3C)C2)cc1OC ZINC000571841488 947801876 /nfs/dbraw/zinc/80/18/76/947801876.db2.gz JUOZDAYYATVJKV-INIZCTEOSA-N 1 0 409.452 4.392 20 30 HIEDRO C[C@H]([NH2+]CC1(c2ccc(Br)cc2)CCCCC1)C(=O)N(C)CCC#N ZINC000572166691 947855179 /nfs/dbraw/zinc/85/51/79/947855179.db2.gz HTMMVNOLBJMJSG-INIZCTEOSA-N 1 0 406.368 4.001 20 30 HIEDRO Cc1ccc(-c2noc(CCC[N@@H+](C)CCOCc3ccc(C#N)cc3)n2)cc1F ZINC000572519987 947926625 /nfs/dbraw/zinc/92/66/25/947926625.db2.gz RAIZLZGIQJNMLQ-UHFFFAOYSA-N 1 0 408.477 4.137 20 30 HIEDRO Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SC[C@H](O)C[N@@H+](C)C3CC3)n2)o1 ZINC000572896884 948033780 /nfs/dbraw/zinc/03/37/80/948033780.db2.gz OGGVKFZDCGIJRX-CYBMUJFWSA-N 1 0 411.449 4.088 20 30 HIEDRO C=CCOc1ccc(C(=O)NC[C@H](c2ccc(SC)cc2)[NH+](C)C)cc1OC ZINC000573689559 948272901 /nfs/dbraw/zinc/27/29/01/948272901.db2.gz MPACQPPZJPUWQZ-LJQANCHMSA-N 1 0 400.544 4.015 20 30 HIEDRO CN(CCC[N@H+](C)Cc1ccncc1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000573987878 948341626 /nfs/dbraw/zinc/34/16/26/948341626.db2.gz IDTSWAKZSLEEQI-UHFFFAOYSA-N 1 0 414.509 4.340 20 30 HIEDRO C[C@@H]([NH2+]C[C@@H](O)COc1ccc(CC#N)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000575017396 948573322 /nfs/dbraw/zinc/57/33/22/948573322.db2.gz WOEBCVVMXZEFJD-KBMIEXCESA-N 1 0 411.505 4.382 20 30 HIEDRO N#Cc1ccc(-c2cc(C(F)(F)N3CCCCC34CC[NH2+]CC4)c(Cl)nn2)cc1 ZINC001164420624 718912323 /nfs/dbraw/zinc/91/23/23/718912323.db2.gz LRHYKUBVQCFTCA-UHFFFAOYSA-N 1 0 417.891 4.326 20 30 HIEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCC(C4C[NH2+]C4)CC3)cc2c1Cl ZINC001164615146 719038249 /nfs/dbraw/zinc/03/82/49/719038249.db2.gz KTAKTBDCIYJOLS-UHFFFAOYSA-N 1 0 411.283 4.394 20 30 HIEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164619224 719044013 /nfs/dbraw/zinc/04/40/13/719044013.db2.gz CBJCHAAEJBXANV-VQIMIIECSA-N 1 0 423.294 4.388 20 30 HIEDRO N#Cc1cccc(-c2cc(C(F)(F)N3C[C@H](C4([NH3+])CC4)[C@H](CF)C3)cnc2Cl)c1 ZINC001164625903 719127093 /nfs/dbraw/zinc/12/70/93/719127093.db2.gz ZGKWGNGEFRXNFI-QAPCUYQASA-N 1 0 420.866 4.332 20 30 HIEDRO Cc1cc(Cl)nc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c1C#N ZINC001164843235 720664902 /nfs/dbraw/zinc/66/49/02/720664902.db2.gz VRZVYZBHAVEXFH-LJQANCHMSA-N 1 0 410.949 4.175 20 30 HIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(-c4ccncc4)ccc3C#N)C[C@@H]21 ZINC001165028182 721822718 /nfs/dbraw/zinc/82/27/18/721822718.db2.gz UVNMFYWHZYUFJH-NMVJMZGASA-N 1 0 424.552 4.147 20 30 HIEDRO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2c1ncc(C#N)c2sc(-c3ccccc3)cc21 ZINC001164921022 721866203 /nfs/dbraw/zinc/86/62/03/721866203.db2.gz BVOXBDWNYITFJJ-SFTDATJTSA-N 1 0 417.582 4.050 20 30 HIEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164953775 722018010 /nfs/dbraw/zinc/01/80/10/722018010.db2.gz ZFOVTPQRBGLVPZ-UHFFFAOYSA-N 1 0 417.891 4.039 20 30 HIEDRO O=C(c1ccc(F)cc1)C(C(=S)Nc1ccc(Cl)cc1)[n+]1cccc(CO)c1 ZINC000007611351 845373110 /nfs/dbraw/zinc/37/31/10/845373110.db2.gz QENNRCKFYQIFMQ-UHFFFAOYSA-O 1 0 415.897 4.310 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2cccc(C)c2)[n+]2ccc(N(C)C)cc2)c(C)n1C ZINC000010167305 845625573 /nfs/dbraw/zinc/62/55/73/845625573.db2.gz SHVLLVPXRDUIQP-UHFFFAOYSA-O 1 0 421.590 4.355 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1ccc2c(c1)OCCO2)C(=S)Nc1ccccc1 ZINC000010170433 845626189 /nfs/dbraw/zinc/62/61/89/845626189.db2.gz RVMWUZORECZXDT-UHFFFAOYSA-O 1 0 419.526 4.359 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccc(C)c(C)c2)[n+]2cccc(CO)c2)c(C)n1C ZINC000011161895 845761813 /nfs/dbraw/zinc/76/18/13/845761813.db2.gz NIZBRXHVORXVOK-UHFFFAOYSA-O 1 0 422.574 4.089 20 30 HIEDRO COc1cccc(NC(=S)C(C(=O)c2cc(C)ccc2C)[n+]2cccc(CO)c2)c1 ZINC000011260940 845774024 /nfs/dbraw/zinc/77/40/24/845774024.db2.gz CBYKBMUAKIRQER-UHFFFAOYSA-O 1 0 421.542 4.143 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCc3ccccc3C2)c1C#N ZINC000012485903 845875243 /nfs/dbraw/zinc/87/52/43/845875243.db2.gz ZWOULOOALBQLSL-UHFFFAOYSA-N 1 0 402.498 4.005 20 30 HIEDRO CC[NH+](CC)CCOc1ccc(C(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cc1 ZINC000436343467 861655791 /nfs/dbraw/zinc/65/57/91/861655791.db2.gz JQSYGQMMFRBTTK-BJKOFHAPSA-N 1 0 405.542 4.319 20 30 HIEDRO CCCc1cc[n+](C(C(=O)c2cc(C)ccc2C)C(=S)NC[C@@H]2CCCO2)cc1 ZINC000022691601 846604062 /nfs/dbraw/zinc/60/40/62/846604062.db2.gz JYSGSOBIYLHJIF-FQEVSTJZSA-O 1 0 411.591 4.251 20 30 HIEDRO CNC(=S)C(C(=O)c1ccc(Br)cc1)[n+]1ccc(C(C)(C)C)cc1 ZINC000022733654 846611634 /nfs/dbraw/zinc/61/16/34/846611634.db2.gz AHCCSIBWJKONBF-UHFFFAOYSA-O 1 0 406.369 4.192 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(OCC)cc1)[n+]1ccc2c(c1)CCCC2 ZINC000022797959 846622691 /nfs/dbraw/zinc/62/26/91/846622691.db2.gz DFBXMPAMICWGBV-UHFFFAOYSA-O 1 0 409.575 4.356 20 30 HIEDRO CCCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1C)[n+]1ccc(C(C)(C)C)cc1 ZINC000022804084 846622844 /nfs/dbraw/zinc/62/28/44/846622844.db2.gz CZZPFQHQGHJMMO-UHFFFAOYSA-O 1 0 414.595 4.358 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2cc(C)[nH]c2C)C(=S)NCc2ccc(OC)cc2)cc1 ZINC000023603036 846727443 /nfs/dbraw/zinc/72/74/43/846727443.db2.gz HQWLZCCMJNSQFG-UHFFFAOYSA-O 1 0 422.574 4.219 20 30 HIEDRO Cn1cc(C[NH2+]CCc2cn(C)c3cc(Cl)ccc23)c(-c2ccc(C#N)cc2)n1 ZINC000436399926 861745434 /nfs/dbraw/zinc/74/54/34/861745434.db2.gz KPDQTWHZERFPJP-UHFFFAOYSA-N 1 0 403.917 4.436 20 30 HIEDRO COc1ccc(C[N@H+](C)CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC(F)F ZINC000026453579 847151843 /nfs/dbraw/zinc/15/18/43/847151843.db2.gz HUZMYDPJHURFHV-UHFFFAOYSA-N 1 0 423.847 4.282 20 30 HIEDRO C=CCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)cc1OC ZINC000027668815 847335633 /nfs/dbraw/zinc/33/56/33/847335633.db2.gz OVTKJWLMNIRFOW-JOCHJYFZSA-N 1 0 424.541 4.226 20 30 HIEDRO N#Cc1ccccc1Sc1ccccc1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000032046784 847982272 /nfs/dbraw/zinc/98/22/72/847982272.db2.gz SGZLBSBOWTYDAW-UHFFFAOYSA-N 1 0 400.507 4.067 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)Cc1ccccc1 ZINC000032483478 848037400 /nfs/dbraw/zinc/03/74/00/848037400.db2.gz LSTKOPYGQBUELX-DEOSSOPVSA-N 1 0 413.521 4.040 20 30 HIEDRO COc1cc(-c2noc(CCCCC[NH2+][C@H](C)c3ccc(C#N)cc3)n2)ccc1O ZINC000436725501 861912301 /nfs/dbraw/zinc/91/23/01/861912301.db2.gz VFLZPZNDTRBADJ-MRXNPFEDSA-N 1 0 406.486 4.386 20 30 HIEDRO Cc1ccc(-c2cnc(CCC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)o2)cc1 ZINC000047011399 848972372 /nfs/dbraw/zinc/97/23/72/848972372.db2.gz ZPLCJNJFDBZFGA-UHFFFAOYSA-N 1 0 416.525 4.045 20 30 HIEDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)cc1OC ZINC000047608981 849084800 /nfs/dbraw/zinc/08/48/00/849084800.db2.gz RWJRWVVEOCEHDG-KBPBESRZSA-N 1 0 401.894 4.297 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]C3CCN(C(=O)c4ccco4)CC3)c2)c1 ZINC000047700889 849092535 /nfs/dbraw/zinc/09/25/35/849092535.db2.gz ZWZIKVXKWRBWOB-UHFFFAOYSA-N 1 0 415.493 4.125 20 30 HIEDRO C=CCc1ccccc1OC[C@H](O)C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047798010 849115551 /nfs/dbraw/zinc/11/55/51/849115551.db2.gz AHGHMVLUBACRKM-HXUWFJFHSA-N 1 0 415.480 4.028 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000050137720 849357544 /nfs/dbraw/zinc/35/75/44/849357544.db2.gz OEJMRIXKVZLLIT-FQEVSTJZSA-N 1 0 413.587 4.367 20 30 HIEDRO Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056042391 850234399 /nfs/dbraw/zinc/23/43/99/850234399.db2.gz UJVLPJUHYUCEBZ-UHFFFAOYSA-N 1 0 407.562 4.013 20 30 HIEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000056207124 850284101 /nfs/dbraw/zinc/28/41/01/850284101.db2.gz LCXQNXHTLQXUPJ-ZWKOTPCHSA-N 1 0 409.505 4.318 20 30 HIEDRO CC[C@H](C)Oc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000056759053 850469166 /nfs/dbraw/zinc/46/91/66/850469166.db2.gz NIBLKRVRDUVFKR-IBGZPJMESA-N 1 0 406.530 4.475 20 30 HIEDRO COc1ccc(CCCCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000057042216 850536976 /nfs/dbraw/zinc/53/69/76/850536976.db2.gz AEAQXEIFTRPHDK-UHFFFAOYSA-N 1 0 405.542 4.014 20 30 HIEDRO Cc1nc(SCC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)c(C#N)c(C)c1C ZINC000058350565 850806012 /nfs/dbraw/zinc/80/60/12/850806012.db2.gz BDSVQGLCUSPWPY-UHFFFAOYSA-N 1 0 410.587 4.127 20 30 HIEDRO Cc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000058451736 850828857 /nfs/dbraw/zinc/82/88/57/850828857.db2.gz LJNIKEJTDKJGGX-UHFFFAOYSA-N 1 0 415.335 4.225 20 30 HIEDRO N#Cc1cc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)ccc1OCC(F)(F)F ZINC000058560402 850856420 /nfs/dbraw/zinc/85/64/20/850856420.db2.gz USNUMNIRGUMSNX-INIZCTEOSA-N 1 0 422.407 4.051 20 30 HIEDRO CC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000060477534 851112521 /nfs/dbraw/zinc/11/25/21/851112521.db2.gz AUYCSISQESUVGU-XMSQKQJNSA-N 1 0 419.525 4.076 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000060892813 851241804 /nfs/dbraw/zinc/24/18/04/851241804.db2.gz WKXHLDNZQWLQIF-NRFANRHFSA-N 1 0 414.594 4.386 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]CC2(c3ccc(OC)cc3)CCOCC2)ccc1OC ZINC000060949137 851255188 /nfs/dbraw/zinc/25/51/88/851255188.db2.gz UOEVYHIRNDLCLO-UHFFFAOYSA-N 1 0 411.542 4.497 20 30 HIEDRO CCN(C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000061140154 851303259 /nfs/dbraw/zinc/30/32/59/851303259.db2.gz KSXLNZAWKDPJLR-HXUWFJFHSA-N 1 0 404.558 4.312 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000063250295 851640363 /nfs/dbraw/zinc/64/03/63/851640363.db2.gz ZZZVXZPEAZAOEW-HXUWFJFHSA-N 1 0 411.477 4.161 20 30 HIEDRO C=CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1OC)Cc1cccc([N+](=O)[O-])c1 ZINC000063288179 851652319 /nfs/dbraw/zinc/65/23/19/851652319.db2.gz XMFLCBNUAIEFRK-UHFFFAOYSA-N 1 0 403.866 4.274 20 30 HIEDRO Cc1c([C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)nnn1-c1ccc(F)cc1 ZINC000437073416 862270167 /nfs/dbraw/zinc/27/01/67/862270167.db2.gz GOZGYAJCDIVOEP-BSFYPJFYSA-N 1 0 420.492 4.022 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000063402357 851679102 /nfs/dbraw/zinc/67/91/02/851679102.db2.gz FFTFKGBCFOJMCB-UHFFFAOYSA-N 1 0 402.542 4.093 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000063401875 851679218 /nfs/dbraw/zinc/67/92/18/851679218.db2.gz MVBCSXXAGPKCNW-DEOSSOPVSA-N 1 0 402.542 4.093 20 30 HIEDRO CCCc1cc[n+](C(C(=O)c2[nH]c(C)c(C(C)=O)c2CC)C(=S)NC(C)C)cc1 ZINC000063440533 851689933 /nfs/dbraw/zinc/68/99/33/851689933.db2.gz XAGDECGKACGQRT-UHFFFAOYSA-O 1 0 414.595 4.265 20 30 HIEDRO CCCCNC(=S)C(C(=O)c1[nH]c(C)c(C(C)=O)c1CC)[n+]1ccc(CC)cc1 ZINC000063440631 851690345 /nfs/dbraw/zinc/69/03/45/851690345.db2.gz TVULGMWWXMJRQA-UHFFFAOYSA-O 1 0 414.595 4.267 20 30 HIEDRO C[C@H]([NH2+]C1CCC(Oc2ncccc2C#N)CC1)c1ncc(Br)cc1F ZINC000437102426 862290482 /nfs/dbraw/zinc/29/04/82/862290482.db2.gz YBAAFGLNVJKGJN-JQRITLKVSA-N 1 0 419.298 4.291 20 30 HIEDRO COc1ccc(C[NH2+]Cc2ccc(N3CCSCC3)cc2)cc1OCCCC#N ZINC000064614138 851940603 /nfs/dbraw/zinc/94/06/03/851940603.db2.gz RBMHNKZHEAHGFK-UHFFFAOYSA-N 1 0 411.571 4.221 20 30 HIEDRO C=CCc1cc(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cc(OC)c1OC ZINC000065388836 852120144 /nfs/dbraw/zinc/12/01/44/852120144.db2.gz LWUNMNRNQFHULC-JOCHJYFZSA-N 1 0 423.557 4.069 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCCOc1cccc2ccccc21 ZINC000065930485 852320265 /nfs/dbraw/zinc/32/02/65/852320265.db2.gz HMTXOZOIIWGHDP-UHFFFAOYSA-N 1 0 415.537 4.461 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cc1Cl ZINC000105422287 852704740 /nfs/dbraw/zinc/70/47/40/852704740.db2.gz QPODUWGBBWGMBI-QGZVFWFLSA-N 1 0 403.935 4.283 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN(Cc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000108813101 852881328 /nfs/dbraw/zinc/88/13/28/852881328.db2.gz DAVLNIKJULZRMA-DEOSSOPVSA-N 1 0 405.542 4.231 20 30 HIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000110198527 853071496 /nfs/dbraw/zinc/07/14/96/853071496.db2.gz UCUPKTZQEQITED-VWLOTQADSA-N 1 0 419.569 4.129 20 30 HIEDRO C#CC[N@@H+](CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@@H]1CCc2ccccc21 ZINC000110981747 853178395 /nfs/dbraw/zinc/17/83/95/853178395.db2.gz CLVPGGTWGDULJP-XMMPIXPASA-N 1 0 412.537 4.440 20 30 HIEDRO CC(C)[N@H+](CC(=O)N[C@H](c1nccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000111046268 853193301 /nfs/dbraw/zinc/19/33/01/853193301.db2.gz IRBXLSXIYOKKCX-QFIPXVFZSA-N 1 0 404.539 4.131 20 30 HIEDRO Cc1ccccc1C1(C[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)CCOCC1 ZINC000140438890 853445047 /nfs/dbraw/zinc/44/50/47/853445047.db2.gz VPOJYOSWLCXGRC-KRWDZBQOSA-N 1 0 411.933 4.185 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000150308553 853644048 /nfs/dbraw/zinc/64/40/48/853644048.db2.gz MAURYSKISCDAOC-PMACEKPBSA-N 1 0 407.562 4.073 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)C(=S)N[C@H](C)CC)cc1 ZINC000154509149 853645134 /nfs/dbraw/zinc/64/51/34/853645134.db2.gz USNDXHVVHPMTFT-CYBMUJFWSA-O 1 0 400.568 4.011 20 30 HIEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)CC1 ZINC000195730657 853782682 /nfs/dbraw/zinc/78/26/82/853782682.db2.gz QBKHSMWYWPHAHG-UHFFFAOYSA-N 1 0 418.360 4.165 20 30 HIEDRO CC(C)n1ncc2ccc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)cc21 ZINC000195738086 853786818 /nfs/dbraw/zinc/78/68/18/853786818.db2.gz PVMYDJDQRPLBQO-UHFFFAOYSA-N 1 0 404.518 4.085 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)/C=C\c1cccc(OC2CCCC2)c1 ZINC000209686749 853811128 /nfs/dbraw/zinc/81/11/28/853811128.db2.gz JUAKWKAXMZODJE-YPKPFQOOSA-N 1 0 417.553 4.483 20 30 HIEDRO COc1ccc(OC)c([C@@H](C)[NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)c1 ZINC000216002815 853842292 /nfs/dbraw/zinc/84/22/92/853842292.db2.gz QMRDAVSCLYUYAT-CQSZACIVSA-N 1 0 413.543 4.195 20 30 HIEDRO C[C@H](C(=O)N(CCC#N)c1ccccc1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000229933860 853893488 /nfs/dbraw/zinc/89/34/88/853893488.db2.gz WCKTXRRTVKZUBB-RTBURBONSA-N 1 0 402.498 4.343 20 30 HIEDRO CC(C)Oc1cccc([C@@H](O)C[NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)c1 ZINC000236596061 853900554 /nfs/dbraw/zinc/90/05/54/853900554.db2.gz KQFYVEZXZQRVEB-QHCPKHFHSA-N 1 0 404.514 4.074 20 30 HIEDRO CC(C)CC(=O)N1CCC([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000236605872 853902638 /nfs/dbraw/zinc/90/26/38/853902638.db2.gz NJNHSRFUIAGFQK-UHFFFAOYSA-N 1 0 405.542 4.264 20 30 HIEDRO CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000236689984 853912432 /nfs/dbraw/zinc/91/24/32/853912432.db2.gz GZPDDZIGJZSKJV-NRFANRHFSA-N 1 0 423.561 4.343 20 30 HIEDRO CN(C)[C@@H](C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1)c1c(F)cccc1F ZINC000237168151 853975327 /nfs/dbraw/zinc/97/53/27/853975327.db2.gz CKPJJYHTQMWLPB-NRFANRHFSA-N 1 0 409.484 4.134 20 30 HIEDRO COc1ccc(C[NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1OCCCC#N ZINC000237350328 854011496 /nfs/dbraw/zinc/01/14/96/854011496.db2.gz CMFOHPDDQMOLDE-UHFFFAOYSA-N 1 0 421.541 4.081 20 30 HIEDRO C=CCOc1ccccc1C[NH2+]CCC(=O)Nc1cc(Br)ccc1C ZINC000237789849 854098292 /nfs/dbraw/zinc/09/82/92/854098292.db2.gz VKWMTSNDUBHBLH-UHFFFAOYSA-N 1 0 403.320 4.441 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCNC(=O)c3ccccc3Cl)c2)c1 ZINC000237856803 854109634 /nfs/dbraw/zinc/10/96/34/854109634.db2.gz PHBLVCSVTCDWII-UHFFFAOYSA-N 1 0 419.912 4.310 20 30 HIEDRO N#CCCn1cc(C[NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)c(-c2ccccc2)n1 ZINC000237861227 854110657 /nfs/dbraw/zinc/11/06/57/854110657.db2.gz MSGBBJJNAMIRGN-SFHVURJKSA-N 1 0 421.495 4.358 20 30 HIEDRO Cc1ccc(OCc2nc(C[NH2+]C3CCN(c4ccc(C#N)cn4)CC3)cs2)cc1 ZINC000237945300 854123628 /nfs/dbraw/zinc/12/36/28/854123628.db2.gz LRDCWZAOCGUWEM-UHFFFAOYSA-N 1 0 419.554 4.056 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCCS(=O)(=O)c3ccccc3)c2)c1 ZINC000238015828 854133770 /nfs/dbraw/zinc/13/37/70/854133770.db2.gz UEAVFIICTVWUEU-UHFFFAOYSA-N 1 0 420.534 4.091 20 30 HIEDRO N#Cc1cc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)nc2ccc([N+](=O)[O-])cc12 ZINC000301379594 854376495 /nfs/dbraw/zinc/37/64/95/854376495.db2.gz TVWKFFRXEHAUNS-UHFFFAOYSA-N 1 0 405.433 4.230 20 30 HIEDRO C=CC[NH+]1CCC(Nc2cnn(-c3ccc(Cl)cc3Cl)c(=O)c2Cl)CC1 ZINC000301405463 854384722 /nfs/dbraw/zinc/38/47/22/854384722.db2.gz UFAYHBDVYKVRCU-UHFFFAOYSA-N 1 0 413.736 4.255 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNc2nccc(C#N)c2[N+](=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000301693238 854446166 /nfs/dbraw/zinc/44/61/66/854446166.db2.gz ZNQSMSZOMDKFSL-NVXWUHKLSA-N 1 0 419.407 4.375 20 30 HIEDRO COc1ccccc1C[C@@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000302950063 854692742 /nfs/dbraw/zinc/69/27/42/854692742.db2.gz DBGHIRPDUQCPDP-QFIPXVFZSA-N 1 0 405.542 4.266 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)CC1 ZINC000303301556 854860842 /nfs/dbraw/zinc/86/08/42/854860842.db2.gz QAFCITXAUOCVLQ-UHFFFAOYSA-N 1 0 412.965 4.175 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)CC1 ZINC000303341117 854882496 /nfs/dbraw/zinc/88/24/96/854882496.db2.gz YXWAMENOXICDNL-UHFFFAOYSA-N 1 0 402.498 4.092 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](c2ccc(F)cc2)c2ccc(OC)cc2)CC1 ZINC000303381422 854901778 /nfs/dbraw/zinc/90/17/78/854901778.db2.gz XNVRWALLHRSUMC-HSZRJFAPSA-N 1 0 411.521 4.263 20 30 HIEDRO CCCN(C(=O)Cc1ccc(OCC#N)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000303441273 854940430 /nfs/dbraw/zinc/94/04/30/854940430.db2.gz HULNOFPTBRESOC-QHCPKHFHSA-N 1 0 405.542 4.035 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+](C)[C@@H]2CCc3ccccc3C2)c1C#N ZINC000303508549 854997348 /nfs/dbraw/zinc/99/73/48/854997348.db2.gz AXMSSRQGTRILKM-OAQYLSRUSA-N 1 0 416.525 4.046 20 30 HIEDRO N#CCCN(C(=O)C[NH+]1CCC(c2c[nH]c3cc(F)ccc32)CC1)c1ccccc1 ZINC000303524373 855012020 /nfs/dbraw/zinc/01/20/20/855012020.db2.gz ZSRFJZGDZRCJLY-UHFFFAOYSA-N 1 0 404.489 4.433 20 30 HIEDRO C[NH+](C)Cc1cc(CNC(=O)c2ccc(OCc3ccccc3C#N)cc2)ccc1F ZINC000303706926 855143965 /nfs/dbraw/zinc/14/39/65/855143965.db2.gz PFWMPVOVHMLXBF-UHFFFAOYSA-N 1 0 417.484 4.268 20 30 HIEDRO C[C@@H]1C[C@H](N(C)CC(=O)Nc2cc(Cl)ccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000303745545 855168028 /nfs/dbraw/zinc/16/80/28/855168028.db2.gz JVOSOXWYVIGLLQ-DYESRHJHSA-N 1 0 410.949 4.135 20 30 HIEDRO C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)CC[N@@H+]1Cc1ccccc1 ZINC000303779072 855194152 /nfs/dbraw/zinc/19/41/52/855194152.db2.gz SDPOVJBERWJIEU-DYESRHJHSA-N 1 0 410.949 4.135 20 30 HIEDRO COc1ccccc1[C@@H](CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1)N1CCCC1 ZINC000303787040 855197618 /nfs/dbraw/zinc/19/76/18/855197618.db2.gz SAKCQQOPACFKSX-GOSISDBHSA-N 1 0 422.451 4.158 20 30 HIEDRO C=CCOc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000303816146 855219226 /nfs/dbraw/zinc/21/92/26/855219226.db2.gz ZYTCGXOWSOVBHE-DENIHFKCSA-N 1 0 408.542 4.385 20 30 HIEDRO CCc1ccc(NC(=[NH2+])NC[C@H]2CCN(c3ccc(Br)cc3)C2)cc1 ZINC000303885559 855269503 /nfs/dbraw/zinc/26/95/03/855269503.db2.gz NIAQFOBGHPVZRB-MRXNPFEDSA-N 1 0 401.352 4.265 20 30 HIEDRO COc1ccc(OC)c(NC(=[NH2+])NCc2ccccc2COCc2ccccc2)c1 ZINC000303892289 855273556 /nfs/dbraw/zinc/27/35/56/855273556.db2.gz NOCZRIQXKXJHEP-UHFFFAOYSA-N 1 0 405.498 4.347 20 30 HIEDRO CC[C@@H](C)C(=O)Nc1cccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000303894820 855274428 /nfs/dbraw/zinc/27/44/28/855274428.db2.gz PBYFHBYOMIEPGY-CYBMUJFWSA-N 1 0 408.424 4.497 20 30 HIEDRO COc1cc(CNC(Nc2ccccc2)=[NH+]Cc2ccc(C)cc2)ccc1OCCO ZINC000303897270 855275864 /nfs/dbraw/zinc/27/58/64/855275864.db2.gz QKVCRAKDWRSHBX-UHFFFAOYSA-N 1 0 419.525 4.133 20 30 HIEDRO O=C(Nc1cccc(C[NH+]=C(Nc2ccccc2)N2CCCCC2)c1)[C@@H]1CCCO1 ZINC000303899838 855277652 /nfs/dbraw/zinc/27/76/52/855277652.db2.gz WIBIGFJXSVMKHI-QFIPXVFZSA-N 1 0 406.530 4.258 20 30 HIEDRO COc1ccc2[nH]cc(C3CC[NH+](CCOc4ccc(C#N)cc4OC)CC3)c2c1 ZINC000303907392 855281523 /nfs/dbraw/zinc/28/15/23/855281523.db2.gz TZCFLEBANVIRDE-UHFFFAOYSA-N 1 0 405.498 4.315 20 30 HIEDRO CCOc1ccc(OCC)c(NC(=[NH2+])NCc2cccc(OCc3ccccn3)c2)c1 ZINC000303908002 855282406 /nfs/dbraw/zinc/28/24/06/855282406.db2.gz XHIJMTVQFKDREM-UHFFFAOYSA-N 1 0 420.513 4.385 20 30 HIEDRO CC[C@@H](C)NC(=O)c1cccc(CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)c1 ZINC000303910244 855283597 /nfs/dbraw/zinc/28/35/97/855283597.db2.gz YSHSBQZWWYLHLS-CYBMUJFWSA-N 1 0 408.424 4.040 20 30 HIEDRO COc1ccc(CNC(=[NH2+])N[C@@H](C)c2ccc(Cl)cc2Cl)c(OC)c1OC ZINC000303910445 855284807 /nfs/dbraw/zinc/28/48/07/855284807.db2.gz YXCKKCRSTDYEMI-NSHDSACASA-N 1 0 412.317 4.185 20 30 HIEDRO Cc1ccc(NC(=[NH2+])NCCC(=O)Nc2cc(Br)ccc2C)cc1C ZINC000303969621 855329592 /nfs/dbraw/zinc/32/95/92/855329592.db2.gz BUXZMIFCEQPFHM-UHFFFAOYSA-N 1 0 403.324 4.130 20 30 HIEDRO CCOc1ccccc1Oc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cn1 ZINC000304472012 855355919 /nfs/dbraw/zinc/35/59/19/855355919.db2.gz FGSLVBBXXSBKTL-LJQANCHMSA-N 1 0 418.497 4.201 20 30 HIEDRO [NH2+]=C(NCc1ccc(COCc2ccccc2)cc1)N[C@@H]1CCOc2ccccc21 ZINC000304490084 855356448 /nfs/dbraw/zinc/35/64/48/855356448.db2.gz NDKBSOPKMZHEOZ-HSZRJFAPSA-N 1 0 401.510 4.332 20 30 HIEDRO Cc1ccccc1C1(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)CCOCC1 ZINC000304476958 855356474 /nfs/dbraw/zinc/35/64/74/855356474.db2.gz HCGZBLQMQJFKCZ-UHFFFAOYSA-N 1 0 421.463 4.046 20 30 HIEDRO [NH2+]=C(NCc1nccn1CCCc1ccccc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000304806265 855358622 /nfs/dbraw/zinc/35/86/22/855358622.db2.gz DOPWGCZMOIKGSO-UHFFFAOYSA-N 1 0 417.435 4.341 20 30 HIEDRO Cc1ccc(-c2nc(CNC(=[NH2+])NCc3ccc(OC(F)(F)F)cc3)co2)cc1 ZINC000304765084 855358663 /nfs/dbraw/zinc/35/86/63/855358663.db2.gz YURPEPIDKVMZLJ-UHFFFAOYSA-N 1 0 404.392 4.153 20 30 HIEDRO COc1ccc(CNC(=[NH2+])NCC[C@H](C)c2cccc(C(F)(F)F)c2)cc1OC ZINC000304792642 855358786 /nfs/dbraw/zinc/35/87/86/855358786.db2.gz LDZRFGJHFJRLMO-AWEZNQCLSA-N 1 0 409.452 4.321 20 30 HIEDRO [NH2+]=C(NCc1ccc(N2CCCCC2=O)cc1)Nc1ccccc1OC(F)(F)F ZINC000305219257 855359998 /nfs/dbraw/zinc/35/99/98/855359998.db2.gz IYIBFSMTJWOHDI-UHFFFAOYSA-N 1 0 406.408 4.029 20 30 HIEDRO CC[C@@H](C)C(=O)Nc1cccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000305198573 855360407 /nfs/dbraw/zinc/36/04/07/855360407.db2.gz FCXAWLPSDMFZDX-CYBMUJFWSA-N 1 0 408.424 4.497 20 30 HIEDRO Cc1cc(C)n(-c2ccccc2CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)n1 ZINC000305255611 855360971 /nfs/dbraw/zinc/36/09/71/855360971.db2.gz WKTAPBHCHVPAPU-UHFFFAOYSA-N 1 0 403.408 4.315 20 30 HIEDRO Cc1ccc(CNC(=[NH2+])N[C@H](C)c2ccc(Cl)cc2Cl)c(N2CCCC2)n1 ZINC000305821851 855362011 /nfs/dbraw/zinc/36/20/11/855362011.db2.gz PEFOODOJARGOOI-CQSZACIVSA-N 1 0 406.361 4.463 20 30 HIEDRO N#Cc1nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1C(F)(F)F ZINC000409728702 855623741 /nfs/dbraw/zinc/62/37/41/855623741.db2.gz QCGNGRGFTOCVEF-YLJYHZDGSA-N 1 0 400.448 4.463 20 30 HIEDRO CC(C)[N@H+](CCCC1(C#N)CCOCC1)C[C@H](O)COc1cccc2ccccc21 ZINC000410344642 855939303 /nfs/dbraw/zinc/93/93/03/855939303.db2.gz KWAXIIYZFQDNLZ-QFIPXVFZSA-N 1 0 410.558 4.390 20 30 HIEDRO N#CC1(CCC[N@H+]2CCC[C@@H]2C(=O)Nc2cc(Cl)cc(Cl)c2)CCOCC1 ZINC000410417401 855987203 /nfs/dbraw/zinc/98/72/03/855987203.db2.gz HMSFLJCJEWGECU-GOSISDBHSA-N 1 0 410.345 4.497 20 30 HIEDRO CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)C[C@H]3CCOC3)sc2C1 ZINC000426435684 856289030 /nfs/dbraw/zinc/28/90/30/856289030.db2.gz DNHRXPHHMANLGX-CVEARBPZSA-N 1 0 403.592 4.068 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 ZINC000426602910 856368547 /nfs/dbraw/zinc/36/85/47/856368547.db2.gz LFINOMFDBSAWDP-UHFFFAOYSA-N 1 0 411.472 4.005 20 30 HIEDRO Cc1sc(NC(=O)CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c(C#N)c1C ZINC000426994932 856585624 /nfs/dbraw/zinc/58/56/24/856585624.db2.gz LBRZNSQCTYYGJB-OXQOHEQNSA-N 1 0 410.587 4.160 20 30 HIEDRO C=CCC[C@@H](C(=O)N[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1)c1ccccc1 ZINC000427140642 856664926 /nfs/dbraw/zinc/66/49/26/856664926.db2.gz SYCQGGHFPYOLTI-ZJSXRUAMSA-N 1 0 408.542 4.144 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C#N)cs2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000437546143 862878235 /nfs/dbraw/zinc/87/82/35/862878235.db2.gz FOMSQOMVTDUXQI-QAPCUYQASA-N 1 0 407.461 4.451 20 30 HIEDRO N#CC(CC[NH+]1CCC2(CC1)CCS(=O)(=O)CC2)(c1ccccc1)c1ccccc1 ZINC000428691436 857298335 /nfs/dbraw/zinc/29/83/35/857298335.db2.gz HWSLYUMVZBZMJY-UHFFFAOYSA-N 1 0 422.594 4.177 20 30 HIEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCC(=O)Nc3ccccc3-c3ccccc3)C2)nc1 ZINC000428802789 857350218 /nfs/dbraw/zinc/35/02/18/857350218.db2.gz JWFRFMVYCRTYKO-OAQYLSRUSA-N 1 0 412.493 4.102 20 30 HIEDRO C[C@H]1CO[C@@H](c2cccc(C(F)(F)F)c2)CN1CCC(=O)Nc1cccc(C#N)c1 ZINC000428813370 857357381 /nfs/dbraw/zinc/35/73/81/857357381.db2.gz PLHJSJITKHWXSW-MGPUTAFESA-N 1 0 417.431 4.368 20 30 HIEDRO Cc1cc(CC(C)(C)[NH2+]CC(=O)NC2(C#N)CCCCC2)ccc1Br ZINC000429248998 857573475 /nfs/dbraw/zinc/57/34/75/857573475.db2.gz YLSDCIZWXWJRBV-UHFFFAOYSA-N 1 0 406.368 4.011 20 30 HIEDRO CC(C)([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1[N+](=O)[O-] ZINC000429264991 857581900 /nfs/dbraw/zinc/58/19/00/857581900.db2.gz DTUSRJJEKARNJX-UHFFFAOYSA-N 1 0 412.515 4.260 20 30 HIEDRO CCC1(CC)[C@H]([NH2+]CC(=O)Nc2ccccc2S[C@H](C)CC#N)[C@H](C)[C@@H]1OC ZINC000429298780 857595888 /nfs/dbraw/zinc/59/58/88/857595888.db2.gz XUJXVCKDOQDSOZ-XTCWOQMQSA-N 1 0 403.592 4.449 20 30 HIEDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000429465748 857684217 /nfs/dbraw/zinc/68/42/17/857684217.db2.gz LGRIPRXLYDDCDP-NRFANRHFSA-N 1 0 406.530 4.280 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccnn2Cc2c(Cl)cccc2Cl)CC1 ZINC000429736665 857859648 /nfs/dbraw/zinc/85/96/48/857859648.db2.gz JLEPGVVXJMYXNX-UHFFFAOYSA-N 1 0 422.360 4.400 20 30 HIEDRO COc1ccc([C@H](CNC(=O)c2cccc(SCC#N)c2)[NH+]2CCCCC2)cc1 ZINC000429971207 857974903 /nfs/dbraw/zinc/97/49/03/857974903.db2.gz ZMLNWLAPWCLKLD-QFIPXVFZSA-N 1 0 409.555 4.268 20 30 HIEDRO Cn1cc(C[N@H+](CCC(=O)Nc2sccc2C#N)Cc2ccc(Cl)cc2)cn1 ZINC000430270867 858104081 /nfs/dbraw/zinc/10/40/81/858104081.db2.gz WJPWWZRNBIBINX-UHFFFAOYSA-N 1 0 413.934 4.038 20 30 HIEDRO C[C@@H]1C[C@@]2(CCO1)C[N@@H+](Cc1cccc(OCc3cccc(C#N)c3)c1)C[C@H](C)O2 ZINC000430779836 858301807 /nfs/dbraw/zinc/30/18/07/858301807.db2.gz GPWMSCZJHZYRHM-RNHFSVANSA-N 1 0 406.526 4.296 20 30 HIEDRO CC(C)(C#N)c1ccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cc1 ZINC000437717729 863050602 /nfs/dbraw/zinc/05/06/02/863050602.db2.gz KVCOOWHYMPPSNW-UHFFFAOYSA-N 1 0 418.541 4.093 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000432874912 859402739 /nfs/dbraw/zinc/40/27/39/859402739.db2.gz WEQDKXCFUSXDGV-XMMPIXPASA-N 1 0 404.514 4.005 20 30 HIEDRO COc1cc(NC(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)c(OC)cc1Cl ZINC000433015917 859479435 /nfs/dbraw/zinc/47/94/35/859479435.db2.gz ZGLJJEUOVYLXOO-QGZVFWFLSA-N 1 0 401.894 4.320 20 30 HIEDRO N#Cc1cccc(-c2nnc(C[N@H+]3CC[C@@H](Cc4ccc(Br)cc4)C3)o2)c1 ZINC000433304899 859627832 /nfs/dbraw/zinc/62/78/32/859627832.db2.gz OJKACNHARUUFBM-KRWDZBQOSA-N 1 0 423.314 4.435 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCOc2ccc(C(F)(F)F)cc2)c(-c2ccncc2)n1 ZINC000433315344 859633896 /nfs/dbraw/zinc/63/38/96/859633896.db2.gz XTSOARLIWRHOPI-UHFFFAOYSA-N 1 0 415.419 4.046 20 30 HIEDRO Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1cn(CCC#N)nc1-c1ccncc1)CC3 ZINC000433329719 859646721 /nfs/dbraw/zinc/64/67/21/859646721.db2.gz UZLYLRUDRFASFO-FQEVSTJZSA-N 1 0 410.525 4.296 20 30 HIEDRO CCOc1ccc(Cl)cc1CC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000433331643 859648459 /nfs/dbraw/zinc/64/84/59/859648459.db2.gz NXCCRSVWVLOGDE-UHFFFAOYSA-N 1 0 409.921 4.243 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCc2c(Cl)cccc2Cl)c(-c2ccncc2)n1 ZINC000433344854 859655050 /nfs/dbraw/zinc/65/50/50/859655050.db2.gz UIUGZTCWXWQBBE-UHFFFAOYSA-N 1 0 400.313 4.498 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCc2ccccc2OC(F)(F)F)c(-c2ccncc2)n1 ZINC000433342713 859655384 /nfs/dbraw/zinc/65/53/84/859655384.db2.gz WWMHBLVGHYLBBO-UHFFFAOYSA-N 1 0 415.419 4.090 20 30 HIEDRO FC(F)C(F)(F)COCC[NH2+]Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000434787691 860494905 /nfs/dbraw/zinc/49/49/05/860494905.db2.gz UTVMZSPMCGZMNU-UHFFFAOYSA-N 1 0 412.143 4.475 20 30 HIEDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCN(c3sccc3C#N)C2=O)ccc1OCC(C)C ZINC000434881802 860532658 /nfs/dbraw/zinc/53/26/58/860532658.db2.gz YAYSZSBHFCLJKS-CRAIPNDOSA-N 1 0 413.543 4.119 20 30 HIEDRO N#Cc1cccc(NC(=O)CC[N@H+]2CCC[C@H](c3nc(C(F)(F)F)cs3)C2)c1 ZINC000434886868 860536934 /nfs/dbraw/zinc/53/69/34/860536934.db2.gz NIWGTTZXNMFFRD-AWEZNQCLSA-N 1 0 408.449 4.242 20 30 HIEDRO C[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000434985869 860586678 /nfs/dbraw/zinc/58/66/78/860586678.db2.gz KZQOGIJGOUUTPJ-XZOQPEGZSA-N 1 0 419.504 4.350 20 30 HIEDRO C[C@@H](NCc1cn(CCC#N)nc1-c1ccncc1)c1nc(C2CCCCC2)no1 ZINC000434987599 860587309 /nfs/dbraw/zinc/58/73/09/860587309.db2.gz VHOGKCWPUSJACZ-MRXNPFEDSA-N 1 0 405.506 4.140 20 30 HIEDRO CC(C)[N@H+](Cc1cn(CCC#N)nc1-c1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000435124054 860651697 /nfs/dbraw/zinc/65/16/97/860651697.db2.gz LHLHXNPGOAUMAB-UHFFFAOYSA-N 1 0 404.474 4.178 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)c(-c2ccncc2)n1 ZINC000435126239 860652693 /nfs/dbraw/zinc/65/26/93/860652693.db2.gz KRJKJXZZNCTNKC-NRFANRHFSA-N 1 0 407.905 4.165 20 30 HIEDRO Cc1ccc(OC2CC[NH+](Cc3cn(CCC#N)nc3-c3ccncc3)CC2)cc1 ZINC000435129562 860654509 /nfs/dbraw/zinc/65/45/09/860654509.db2.gz KOJRCRTUQRSGRN-UHFFFAOYSA-N 1 0 401.514 4.211 20 30 HIEDRO C[N@H+](CCc1ccc(Br)cc1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435134424 860657402 /nfs/dbraw/zinc/65/74/02/860657402.db2.gz HQDRBQALUGXHME-UHFFFAOYSA-N 1 0 424.346 4.296 20 30 HIEDRO N#CCCCn1cc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000435578002 860895028 /nfs/dbraw/zinc/89/50/28/860895028.db2.gz WBHOCCPSKDKTIU-UHFFFAOYSA-N 1 0 400.526 4.123 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)Nc2cc(C#N)ccc2OC(F)F)[C@H]1c1cccs1 ZINC000437981816 863348928 /nfs/dbraw/zinc/34/89/28/863348928.db2.gz COMCZFIBYJHGGD-KDOFPFPSSA-N 1 0 420.485 4.426 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000438363437 863826994 /nfs/dbraw/zinc/82/69/94/863826994.db2.gz HJWVXYVJJBOXFI-LOSJGSFVSA-N 1 0 412.537 4.341 20 30 HIEDRO C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000438538075 863964651 /nfs/dbraw/zinc/96/46/51/863964651.db2.gz DLHDINQRHYRZLC-UHFFFAOYSA-N 1 0 406.511 4.011 20 30 HIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000439190768 864617796 /nfs/dbraw/zinc/61/77/96/864617796.db2.gz LLNGBSTXHNWNBK-LJQANCHMSA-N 1 0 405.546 4.100 20 30 HIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000439190766 864617867 /nfs/dbraw/zinc/61/78/67/864617867.db2.gz LLNGBSTXHNWNBK-IBGZPJMESA-N 1 0 405.546 4.100 20 30 HIEDRO C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)c1 ZINC000439360745 864801817 /nfs/dbraw/zinc/80/18/17/864801817.db2.gz QDKRZZBQHBLAKC-IBGZPJMESA-N 1 0 421.541 4.451 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2nc3c(s2)C[C@@H](c2ccccc2)CC3)CC1 ZINC000468064604 881882839 /nfs/dbraw/zinc/88/28/39/881882839.db2.gz KQWQLWIGIQYDLW-IBGZPJMESA-N 1 0 424.614 4.255 20 30 HIEDRO N#Cc1ccc(CC(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1 ZINC000440439965 865741853 /nfs/dbraw/zinc/74/18/53/865741853.db2.gz LOUQKSRUOKQDSH-OAQYLSRUSA-N 1 0 415.459 4.014 20 30 HIEDRO COc1ccc(NC(=O)C2([NH2+]CC#Cc3cccc(Cl)c3)CCCC2)cc1OC ZINC000440922561 866018452 /nfs/dbraw/zinc/01/84/52/866018452.db2.gz YPBAKBQSAMGFGA-UHFFFAOYSA-N 1 0 412.917 4.250 20 30 HIEDRO CCOc1cc(CN(C)Cc2nnc(-c3cccc(C#N)c3)o2)ccc1OC(F)F ZINC000441177817 866254585 /nfs/dbraw/zinc/25/45/85/866254585.db2.gz JGXWXVYOYBSBAL-UHFFFAOYSA-N 1 0 414.412 4.240 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H](CCO)c1ccccc1 ZINC000441404817 866480379 /nfs/dbraw/zinc/48/03/79/866480379.db2.gz OGMBPFUUISXABQ-HXUWFJFHSA-N 1 0 411.571 4.273 20 30 HIEDRO CCN(Cc1nnc(-c2cccc(C#N)c2)o1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000441544673 866620535 /nfs/dbraw/zinc/62/05/35/866620535.db2.gz KMTPVPBTTDZPFK-GCJKJVERSA-N 1 0 401.514 4.266 20 30 HIEDRO Cc1cc(NC(=O)NCC2CCC(C#N)CC2)n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000441623336 866724102 /nfs/dbraw/zinc/72/41/02/866724102.db2.gz UCPDVUUZZBVAJK-AOMIVXANSA-N 1 0 420.561 4.090 20 30 HIEDRO COc1cc(C[N@@H+]2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn43)C2)ccc1C#N ZINC000442800998 867679851 /nfs/dbraw/zinc/67/98/51/867679851.db2.gz LLQPMLPFJWQUJD-MRXNPFEDSA-N 1 0 415.419 4.008 20 30 HIEDRO C=C[C@](C)(CC)C(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000442980596 867776622 /nfs/dbraw/zinc/77/66/22/867776622.db2.gz RQEMAGVDDXPOOE-HXUWFJFHSA-N 1 0 409.368 4.011 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2cccc(C#N)c2)no1)c1cccc(OC)c1 ZINC000468240145 882138319 /nfs/dbraw/zinc/13/83/19/882138319.db2.gz DRLJSJKJQPBERH-QFIPXVFZSA-N 1 0 418.497 4.035 20 30 HIEDRO CCCc1c(NC(=O)NCC[N@H+](C)C2CCCCC2)cnn1-c1cccc(C#N)c1 ZINC000443387282 867947264 /nfs/dbraw/zinc/94/72/64/867947264.db2.gz ZNZQDPZUZORQCT-UHFFFAOYSA-N 1 0 408.550 4.082 20 30 HIEDRO N#Cc1ccccc1NC(=O)CCN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000443660234 868265386 /nfs/dbraw/zinc/26/53/86/868265386.db2.gz QJRJXUMGCGVHHY-UHFFFAOYSA-N 1 0 422.532 4.274 20 30 HIEDRO C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c2)C1 ZINC000444381328 868801587 /nfs/dbraw/zinc/80/15/87/868801587.db2.gz HRTBCUIXQVYARS-KNQAVFIVSA-N 1 0 400.567 4.481 20 30 HIEDRO N#CC(CC[N@@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1)(c1ccccc1)c1ccccc1 ZINC000444666762 868946331 /nfs/dbraw/zinc/94/63/31/868946331.db2.gz RZNGQJTVZRZJMJ-OFVILXPXSA-N 1 0 413.565 4.362 20 30 HIEDRO CCC[C@@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)CC[N@@H+]1CCOC ZINC000444688472 868958643 /nfs/dbraw/zinc/95/86/43/868958643.db2.gz KCBODKUKMOWZIP-RUZDIDTESA-N 1 0 405.586 4.319 20 30 HIEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[NH2+][C@@H](C)c2cccc(O)c2)c1C#N ZINC000444750110 868986060 /nfs/dbraw/zinc/98/60/60/868986060.db2.gz XVPBACZVQCPMBZ-INIZCTEOSA-N 1 0 420.488 4.159 20 30 HIEDRO Cc1cccc2nc(C3CC[NH+]([C@H]4CCCN(c5ccc(C#N)cc5)C4=O)CC3)oc21 ZINC000444786276 869004502 /nfs/dbraw/zinc/00/45/02/869004502.db2.gz SXQACDQKTZKHQL-QFIPXVFZSA-N 1 0 414.509 4.383 20 30 HIEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2C(F)(F)F)c1 ZINC000445988449 869952380 /nfs/dbraw/zinc/95/23/80/869952380.db2.gz ODIDMAALJPSFHV-UYAOXDASSA-N 1 0 422.472 4.277 20 30 HIEDRO N#Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H]2c2ccccc2C(F)(F)F)cc1 ZINC000446004739 869969172 /nfs/dbraw/zinc/96/91/72/869969172.db2.gz WIBOWFLKYJEEJL-PBEJRMEISA-N 1 0 404.432 4.243 20 30 HIEDRO C[NH+](C)CCc1ccccc1NC(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000446596209 870504433 /nfs/dbraw/zinc/50/44/33/870504433.db2.gz YNQRWFFAWJRUFG-UHFFFAOYSA-N 1 0 406.530 4.174 20 30 HIEDRO CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C1CCC(Oc3ncccc3C#N)CC1)CCC2 ZINC000447590568 871497498 /nfs/dbraw/zinc/49/74/98/871497498.db2.gz DLUCEQQPFHIUKP-CTWPCTMYSA-N 1 0 423.513 4.389 20 30 HIEDRO C=C(C)Cn1c(SCc2nc(-c3ccn4c[nH+]cc4c3)no2)nnc1-c1ccco1 ZINC000447957591 871824335 /nfs/dbraw/zinc/82/43/35/871824335.db2.gz ZXFWWMHSTXLBIH-UHFFFAOYSA-N 1 0 419.470 4.104 20 30 HIEDRO N#Cc1ccc(Cc2cnc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)s2)cc1 ZINC000448225635 872138621 /nfs/dbraw/zinc/13/86/21/872138621.db2.gz OGCMCOVIKGPIIS-GHTZIAJQSA-N 1 0 421.570 4.086 20 30 HIEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 ZINC000448285032 872209631 /nfs/dbraw/zinc/20/96/31/872209631.db2.gz FODCSIMOSUZRPE-JOCHJYFZSA-N 1 0 405.542 4.235 20 30 HIEDRO N#Cc1ccc(Nc2cccc(C(=O)N3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)c2)cc1 ZINC000448450853 872396443 /nfs/dbraw/zinc/39/64/43/872396443.db2.gz WGAYNWSWTCZFSS-HYBUGGRVSA-N 1 0 400.526 4.391 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCCC[C@H]1c1nnc(C2CCC2)o1)C(C)C ZINC000460130356 872612244 /nfs/dbraw/zinc/61/22/44/872612244.db2.gz XSWPLCZRBXWNAC-PMACEKPBSA-N 1 0 415.582 4.272 20 30 HIEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460370910 873005678 /nfs/dbraw/zinc/00/56/78/873005678.db2.gz SBGQRSPTQZEAAV-REWPJTCUSA-N 1 0 416.573 4.406 20 30 HIEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000460379386 873018177 /nfs/dbraw/zinc/01/81/77/873018177.db2.gz HNSCHKFOZIDTLK-QUCCMNQESA-N 1 0 406.578 4.235 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2C(C)(C)C)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460558943 873282999 /nfs/dbraw/zinc/28/29/99/873282999.db2.gz QLLDVHCLCXFTKY-MUGJNUQGSA-N 1 0 403.615 4.082 20 30 HIEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460562459 873291400 /nfs/dbraw/zinc/29/14/00/873291400.db2.gz STMKWRHFTKTICJ-LJQANCHMSA-N 1 0 413.541 4.027 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000460773073 873621964 /nfs/dbraw/zinc/62/19/64/873621964.db2.gz JEXKCICTFDIRFR-UDIDDNNKSA-N 1 0 421.589 4.162 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000460778946 873631698 /nfs/dbraw/zinc/63/16/98/873631698.db2.gz OEAFMRKLWAHSKQ-AEFFLSMTSA-N 1 0 417.504 4.186 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000460947708 873845901 /nfs/dbraw/zinc/84/59/01/873845901.db2.gz HQRBJKSCTDUNAN-BJLQDIEVSA-N 1 0 415.557 4.442 20 30 HIEDRO C[N@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)c1 ZINC000468639416 882772236 /nfs/dbraw/zinc/77/22/36/882772236.db2.gz SLUJKSOEXYDWLH-AOYPEHQESA-N 1 0 417.553 4.386 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cn(C(C)(C)C)nc2-c2ccc(F)cc2F)CC1 ZINC000461114921 874039585 /nfs/dbraw/zinc/03/95/85/874039585.db2.gz UOBALQGBRDKLLL-UHFFFAOYSA-N 1 0 416.516 4.354 20 30 HIEDRO N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000461454168 874514399 /nfs/dbraw/zinc/51/43/99/874514399.db2.gz ZXDZFQVITKSIOA-GOSISDBHSA-N 1 0 407.489 4.438 20 30 HIEDRO CC(C)c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1Cc1cccs1 ZINC000461504766 874580585 /nfs/dbraw/zinc/58/05/85/874580585.db2.gz AWBTYIJCCWYPOW-UHFFFAOYSA-N 1 0 420.586 4.095 20 30 HIEDRO C[C@H](C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1)c1cccc(C#N)c1 ZINC000462039877 875152970 /nfs/dbraw/zinc/15/29/70/875152970.db2.gz PGWGETRMXSYUGL-SFHVURJKSA-N 1 0 404.514 4.115 20 30 HIEDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462237500 875350931 /nfs/dbraw/zinc/35/09/31/875350931.db2.gz LODOMZQGYXRXRR-XXBNENTESA-N 1 0 413.525 4.252 20 30 HIEDRO CCC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)c3cccc(C#N)c3)c(OCC)c2)CC1 ZINC000462319221 875439351 /nfs/dbraw/zinc/43/93/51/875439351.db2.gz ZPVNBAGWTRJZRQ-LJQANCHMSA-N 1 0 420.557 4.231 20 30 HIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(Br)cc3c2OCC3)cc1OC ZINC000462522354 875640890 /nfs/dbraw/zinc/64/08/90/875640890.db2.gz FEVHFMOQIKQPHQ-UHFFFAOYSA-N 1 0 404.304 4.247 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000463030153 876048428 /nfs/dbraw/zinc/04/84/28/876048428.db2.gz RIQLDRXGFVOLIU-AREMUKBSSA-N 1 0 414.553 4.281 20 30 HIEDRO C[C@@H](NC1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nc(-c2cccc(F)c2)no1 ZINC000463189244 876247177 /nfs/dbraw/zinc/24/71/77/876247177.db2.gz KORFPUSSDCKOBH-MRXNPFEDSA-N 1 0 405.477 4.063 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000463201301 876260046 /nfs/dbraw/zinc/26/00/46/876260046.db2.gz DMVJLHNUQFDQIP-JYRKZWEQSA-N 1 0 415.603 4.282 20 30 HIEDRO C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000463203727 876263632 /nfs/dbraw/zinc/26/36/32/876263632.db2.gz QKFYPERLRLLBCP-MNAPGUCWSA-N 1 0 417.981 4.238 20 30 HIEDRO OC[C@]1(Cc2ccccc2)CCC[N@H+](CC#Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000463456499 876517479 /nfs/dbraw/zinc/51/74/79/876517479.db2.gz RXXIYRSCELAHOE-QFIPXVFZSA-N 1 0 403.444 4.254 20 30 HIEDRO C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1cccc(Br)c1 ZINC000463585073 876687406 /nfs/dbraw/zinc/68/74/06/876687406.db2.gz BCUXTHALRAPLKF-MRXNPFEDSA-N 1 0 414.347 4.015 20 30 HIEDRO C=CCc1cc(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc(OC)c1OC ZINC000464909460 878225070 /nfs/dbraw/zinc/22/50/70/878225070.db2.gz XZILKQRUWGZQBI-IBGZPJMESA-N 1 0 408.542 4.169 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000503355974 912330858 /nfs/dbraw/zinc/33/08/58/912330858.db2.gz LEPBODIJSHNNSD-QFIPXVFZSA-N 1 0 409.578 4.074 20 30 HIEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000465157148 878539596 /nfs/dbraw/zinc/53/95/96/878539596.db2.gz NJKVSCIJJSZRER-NRFANRHFSA-N 1 0 420.557 4.431 20 30 HIEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000465253344 878679544 /nfs/dbraw/zinc/67/95/44/878679544.db2.gz LMRCJGMURVQSSK-HXUWFJFHSA-N 1 0 424.520 4.376 20 30 HIEDRO N#Cc1ccc(Nc2cccc(C(=O)N3CCC(OCC[NH+]4CCCC4)CC3)c2)cc1 ZINC000465358003 878793337 /nfs/dbraw/zinc/79/33/37/878793337.db2.gz LCQIZMQNLVDQKR-UHFFFAOYSA-N 1 0 418.541 4.019 20 30 HIEDRO CC1CC[NH+]([C@H](CNC(=O)NCc2cc(C#N)ccc2F)c2cccs2)CC1 ZINC000465429471 878859999 /nfs/dbraw/zinc/85/99/99/878859999.db2.gz XAOLSPIQMUFCSO-LJQANCHMSA-N 1 0 400.523 4.031 20 30 HIEDRO C[C@@H](NC(=O)NCc1ccccc1CN(C)Cc1ccco1)c1ccc(C#N)cc1 ZINC000465655565 879181203 /nfs/dbraw/zinc/18/12/03/879181203.db2.gz IIFJVNYIIQQXMQ-GOSISDBHSA-N 1 0 402.498 4.344 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N(Cc2ccc3c(c2)OCO3)C2CCC(C)CC2)CC1 ZINC000465861690 879511559 /nfs/dbraw/zinc/51/15/59/879511559.db2.gz PJAGIDOJSOABPE-UHFFFAOYSA-N 1 0 413.562 4.156 20 30 HIEDRO COCCC[N@H+](C)CCNC(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000466089680 879808265 /nfs/dbraw/zinc/80/82/65/879808265.db2.gz WPNLVMHQGRFYIQ-HXUWFJFHSA-N 1 0 414.937 4.085 20 30 HIEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Nc2ncccc2OCCCC#N)CC1 ZINC000466598828 880368479 /nfs/dbraw/zinc/36/84/79/880368479.db2.gz KBMYONAHHMVPRU-GOSISDBHSA-N 1 0 407.518 4.111 20 30 HIEDRO C[C@H]1C[C@@H](N(C)C(=O)Nc2ncccc2OCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000466606957 880376154 /nfs/dbraw/zinc/37/61/54/880376154.db2.gz KMWACVAQGRUPRZ-FPOVZHCZSA-N 1 0 421.545 4.281 20 30 HIEDRO CCC[C@@H]1CN(C(=O)Nc2ncccc2OCCCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000466621886 880393485 /nfs/dbraw/zinc/39/34/85/880393485.db2.gz VUEHPLOQCYGXOH-OAQYLSRUSA-N 1 0 421.545 4.283 20 30 HIEDRO C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000466984078 880793777 /nfs/dbraw/zinc/79/37/77/880793777.db2.gz LPZGGUKZQKQBDG-KRWDZBQOSA-N 1 0 415.459 4.415 20 30 HIEDRO CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000467037295 880834275 /nfs/dbraw/zinc/83/42/75/880834275.db2.gz WYODSKQCYHFGDD-HSZRJFAPSA-N 1 0 410.537 4.038 20 30 HIEDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN([C@H](C)C(=O)Nc1sc3c(c1C#N)CCCCC3)CC2 ZINC000467210275 880939407 /nfs/dbraw/zinc/93/94/07/880939407.db2.gz CRPWMKHYYZOSMB-KURKYZTESA-N 1 0 414.619 4.163 20 30 HIEDRO COCC[C@H]1CCCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000467281598 881027854 /nfs/dbraw/zinc/02/78/54/881027854.db2.gz WNDHMOJRZUOQHK-DLBZAZTESA-N 1 0 403.592 4.212 20 30 HIEDRO CS(=O)(=O)c1cccc([C@H]([NH2+]CCc2cccc(C#N)c2)c2ccc(F)cc2)c1 ZINC000467438954 881237270 /nfs/dbraw/zinc/23/72/70/881237270.db2.gz JFNMIINYDWAVNW-HSZRJFAPSA-N 1 0 408.498 4.023 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(OC4CCCC4)CC3)sc2C1 ZINC000503582086 912669073 /nfs/dbraw/zinc/66/90/73/912669073.db2.gz VIGJPUSJNNDQNE-INIZCTEOSA-N 1 0 415.603 4.497 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cn(CCCC#N)c2ccccc12 ZINC000469248064 883345005 /nfs/dbraw/zinc/34/50/05/883345005.db2.gz UOTYYUZLKYWOGV-UHFFFAOYSA-N 1 0 424.495 4.427 20 30 HIEDRO C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccc(OCC[NH+](C)C)cc1 ZINC000469338819 883451939 /nfs/dbraw/zinc/45/19/39/883451939.db2.gz XRBKMEPPCHKZGL-IBGZPJMESA-N 1 0 420.557 4.383 20 30 HIEDRO N#Cc1cccc(-c2cc(C(=O)Nc3ccc(CC[NH+]4CCSCC4)cc3)on2)c1 ZINC000469342977 883458310 /nfs/dbraw/zinc/45/83/10/883458310.db2.gz WDEUVOITYIDXLE-UHFFFAOYSA-N 1 0 418.522 4.057 20 30 HIEDRO CC(C)(C)n1cc(C#N)cc1NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000470233235 884559703 /nfs/dbraw/zinc/55/97/03/884559703.db2.gz ONSWRHPWDNVLGU-UHFFFAOYSA-N 1 0 411.472 4.042 20 30 HIEDRO CCCN(CCC[NH+](C)C)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 ZINC000470336387 884721337 /nfs/dbraw/zinc/72/13/37/884721337.db2.gz JJORNAKHIJPYJH-UHFFFAOYSA-N 1 0 412.509 4.472 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)cc1 ZINC000503927223 912868542 /nfs/dbraw/zinc/86/85/42/912868542.db2.gz HTFAKHJDZOYPNZ-OAQYLSRUSA-N 1 0 416.437 4.012 20 30 HIEDRO C[NH+](C)CCn1ccc(NC(=O)Nc2ccc([C@@H](C#N)c3ccccc3)c(Cl)c2)n1 ZINC000470613913 885040100 /nfs/dbraw/zinc/04/01/00/885040100.db2.gz SJMWTQAKIVMLAC-IBGZPJMESA-N 1 0 422.920 4.398 20 30 HIEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H](O)COc2ccc(C#N)cc2)cc1 ZINC000503983127 912895879 /nfs/dbraw/zinc/89/58/79/912895879.db2.gz ZRDYFJLPPZPYEO-DEOSSOPVSA-N 1 0 415.468 4.011 20 30 HIEDRO CC[NH+](CC)CCOc1ccc(C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000503980024 912894552 /nfs/dbraw/zinc/89/45/52/912894552.db2.gz MJJXOPLHVMKYBL-UHFFFAOYSA-N 1 0 403.526 4.208 20 30 HIEDRO C[C@H](NC(=O)c1occc1COc1cccc(C#N)c1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471132390 885670604 /nfs/dbraw/zinc/67/06/04/885670604.db2.gz WTGFLBAALOYXHE-JTSKRJEESA-N 1 0 403.482 4.151 20 30 HIEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000471334093 885936613 /nfs/dbraw/zinc/93/66/13/885936613.db2.gz AHINXHJZEWRVER-QFIPXVFZSA-N 1 0 417.557 4.103 20 30 HIEDRO CC[NH+](CC)[C@H](CNc1nccc(C#N)c1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000471619674 886337939 /nfs/dbraw/zinc/33/79/39/886337939.db2.gz QCDHOYHCBPHUAN-MRXNPFEDSA-N 1 0 407.396 4.375 20 30 HIEDRO C[C@@H]([NH2+]C1(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CCCC1)c1ccccc1 ZINC000472160429 886959715 /nfs/dbraw/zinc/95/97/15/886959715.db2.gz RFCHWGQBXSUXGJ-XXBNENTESA-N 1 0 400.526 4.020 20 30 HIEDRO CC[C@H]1C[N@H+](CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC[C@@H]1c1ccccc1 ZINC000472239956 887047079 /nfs/dbraw/zinc/04/70/79/887047079.db2.gz JGGHBRPBRSAPQY-CVDCTZTESA-N 1 0 413.525 4.198 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)CCc2cccs2)c1C#N ZINC000472254065 887064913 /nfs/dbraw/zinc/06/49/13/887064913.db2.gz DHSYGQJLBBZMNL-UHFFFAOYSA-N 1 0 410.543 4.183 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+](C)[C@H](C)c2cccc(O)c2)c1C#N ZINC000472263787 887076818 /nfs/dbraw/zinc/07/68/18/887076818.db2.gz WKAVQNORXJZOKU-GOSISDBHSA-N 1 0 420.513 4.345 20 30 HIEDRO C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CSCc1ccc(C#N)cc1 ZINC000472515359 887384376 /nfs/dbraw/zinc/38/43/76/887384376.db2.gz JXDXYJODLNDOMW-OALUTQOASA-N 1 0 407.583 4.064 20 30 HIEDRO CCO[C@@H]1C[C@H](O)C12CC[NH+](CCC(C#N)(c1ccccc1)c1ccccc1)CC2 ZINC000472602376 887474762 /nfs/dbraw/zinc/47/47/62/887474762.db2.gz IXRBEWYFGTWNGJ-BJKOFHAPSA-N 1 0 404.554 4.138 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC[C@]3(C2)OCc2ccccc23)sc2c1CCCCC2 ZINC000473178541 887958275 /nfs/dbraw/zinc/95/82/75/887958275.db2.gz XROWCTYHCHELFE-XMMPIXPASA-N 1 0 421.566 4.349 20 30 HIEDRO N#Cc1ccc(SCC(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000473511492 888241180 /nfs/dbraw/zinc/24/11/80/888241180.db2.gz WJBRYDJMAYYUSP-XMMPIXPASA-N 1 0 405.567 4.165 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000474223307 889061952 /nfs/dbraw/zinc/06/19/52/889061952.db2.gz OOFICQWRLYOKMK-FPOVZHCZSA-N 1 0 422.598 4.226 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)CC2)cc1 ZINC000504651525 913393966 /nfs/dbraw/zinc/39/39/66/913393966.db2.gz WIVVFUFNURDITK-XMMPIXPASA-N 1 0 400.526 4.194 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CCCC23CC[NH+](C)CC3)cc1OC ZINC000475138258 890004251 /nfs/dbraw/zinc/00/42/51/890004251.db2.gz MUATVPCANHHFNZ-UHFFFAOYSA-N 1 0 409.368 4.083 20 30 HIEDRO CN(C(=O)c1occc1COc1cccc(C#N)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475303305 890213226 /nfs/dbraw/zinc/21/32/26/890213226.db2.gz HIVDYEAUNPQINH-JOCHJYFZSA-N 1 0 415.493 4.077 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000475559013 890485961 /nfs/dbraw/zinc/48/59/61/890485961.db2.gz NAEAWXJFFVEZCG-UHFFFAOYSA-N 1 0 407.562 4.007 20 30 HIEDRO CCN([C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475578323 890507526 /nfs/dbraw/zinc/50/75/26/890507526.db2.gz ABDMSFXPSMYLHW-VQIMIIECSA-N 1 0 417.962 4.058 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2c(C)onc2-c2c(Cl)cccc2OC)CC1 ZINC000475635913 890575830 /nfs/dbraw/zinc/57/58/30/890575830.db2.gz DOQVORSVBVSJKT-UHFFFAOYSA-N 1 0 403.910 4.082 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1)C1CC1 ZINC000504742359 913481060 /nfs/dbraw/zinc/48/10/60/913481060.db2.gz PKTOONVQMGLJID-UHFFFAOYSA-N 1 0 403.526 4.226 20 30 HIEDRO COc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000476298627 891213085 /nfs/dbraw/zinc/21/30/85/891213085.db2.gz WGDKTMZMALZIOV-HXUWFJFHSA-N 1 0 411.933 4.302 20 30 HIEDRO C[C@H]1C[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000504825128 913542080 /nfs/dbraw/zinc/54/20/80/913542080.db2.gz HMTREUPSKVFKIY-YADARESESA-N 1 0 400.526 4.020 20 30 HIEDRO N#CC[C@@H](CC(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000476428245 891340991 /nfs/dbraw/zinc/34/09/91/891340991.db2.gz NYEWVIRVMISBMY-GOTSBHOMSA-N 1 0 413.525 4.356 20 30 HIEDRO COc1cccc([C@@H]2[C@H](NC(=O)C[C@@H](CC#N)c3ccccc3)CC[N@@H+]2C2CC2)c1 ZINC000476597591 891532408 /nfs/dbraw/zinc/53/24/08/891532408.db2.gz NUUSTWMBEGBAMH-RZPHLTDDSA-N 1 0 403.526 4.177 20 30 HIEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CCC(Oc3ccccc3C#N)CC2)C1 ZINC000476762712 891735311 /nfs/dbraw/zinc/73/53/11/891735311.db2.gz DHQPWJTZYKHXQN-PELRDEGISA-N 1 0 412.578 4.058 20 30 HIEDRO C=C(C)[C@H](NC(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000477046632 891974938 /nfs/dbraw/zinc/97/49/38/891974938.db2.gz WEDNMTPZVFZVSB-HBGVWJBISA-N 1 0 409.521 4.018 20 30 HIEDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CCCOc3cccc(C#N)c3)C2)cc1 ZINC000477760980 892850157 /nfs/dbraw/zinc/85/01/57/892850157.db2.gz GYWIRKNIEHNXIW-NRFANRHFSA-N 1 0 406.530 4.169 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000478056590 893210653 /nfs/dbraw/zinc/21/06/53/893210653.db2.gz HMGSECGYBVMIMQ-KRWDZBQOSA-N 1 0 402.970 4.127 20 30 HIEDRO CC(C)C[C@@H](C)Oc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)ccn1 ZINC000478306227 893527342 /nfs/dbraw/zinc/52/73/42/893527342.db2.gz SRGOSSSHIWUHLP-GOSISDBHSA-N 1 0 403.530 4.457 20 30 HIEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000479053190 894312598 /nfs/dbraw/zinc/31/25/98/894312598.db2.gz WFXINASVHWIZCK-SIKLNZKXSA-N 1 0 401.510 4.439 20 30 HIEDRO Cc1ccc2c(CC(=O)NC3(C#N)CC[NH+](Cc4ccccc4)CC3)coc2c1C ZINC000479217054 894480007 /nfs/dbraw/zinc/48/00/07/894480007.db2.gz OLHZDFZSJQYBFD-UHFFFAOYSA-N 1 0 401.510 4.267 20 30 HIEDRO N#CC1(NC(=O)c2ccccc2CCC(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000479219913 894482587 /nfs/dbraw/zinc/48/25/87/894482587.db2.gz RMECPJUOMLUSBS-UHFFFAOYSA-N 1 0 415.459 4.470 20 30 HIEDRO N#CC1(NC(=O)C[C@@H](c2ccccc2)C(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000479236634 894497978 /nfs/dbraw/zinc/49/79/78/894497978.db2.gz AXGNPCPCOXYORY-FQEVSTJZSA-N 1 0 415.459 4.397 20 30 HIEDRO N#CC1(NC(=O)Cc2csc(-c3ccccc3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000479237072 894500281 /nfs/dbraw/zinc/50/02/81/894500281.db2.gz BNCFRCJKLIDVLI-UHFFFAOYSA-N 1 0 416.550 4.027 20 30 HIEDRO Cc1nc(C2CCCC2)sc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479276584 894552701 /nfs/dbraw/zinc/55/27/01/894552701.db2.gz GOPPZSADJNNNPP-UHFFFAOYSA-N 1 0 408.571 4.397 20 30 HIEDRO CC(C)c1ccccc1OCCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479284819 894562619 /nfs/dbraw/zinc/56/26/19/894562619.db2.gz NAXQPUZXNAHAED-UHFFFAOYSA-N 1 0 405.542 4.253 20 30 HIEDRO N#CC1(NC(=O)CCCc2c[nH]c3ccccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000479284193 894563109 /nfs/dbraw/zinc/56/31/09/894563109.db2.gz MPCWOGFSQLFGOK-UHFFFAOYSA-N 1 0 400.526 4.165 20 30 HIEDRO CCN(c1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1)C(C)C ZINC000479317769 894604587 /nfs/dbraw/zinc/60/45/87/894604587.db2.gz YYBMVVXJVYTUNY-UHFFFAOYSA-N 1 0 404.558 4.209 20 30 HIEDRO N#CC1(NC(=O)Cc2coc3cc4c(cc23)CCC4)CC[NH+](Cc2ccccc2)CC1 ZINC000479341759 894635716 /nfs/dbraw/zinc/63/57/16/894635716.db2.gz JZQLFDGNVKLNRH-UHFFFAOYSA-N 1 0 413.521 4.139 20 30 HIEDRO CCOc1cc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)ccc1OC(F)F ZINC000479920918 895268990 /nfs/dbraw/zinc/26/89/90/895268990.db2.gz HIUFRYUNXQEDEF-UHFFFAOYSA-N 1 0 412.440 4.249 20 30 HIEDRO Cn1cc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)c(-c2ccc(C#N)cc2)n1 ZINC000479990372 895343976 /nfs/dbraw/zinc/34/39/76/895343976.db2.gz UCUYUHWJKONDHO-UHFFFAOYSA-N 1 0 408.889 4.063 20 30 HIEDRO COCCC[NH+]1CCC(Nc2c(C#N)cnc3c(Br)c(C)ccc32)CC1 ZINC000479990614 895344165 /nfs/dbraw/zinc/34/41/65/895344165.db2.gz LEOURKFVHVVRNJ-UHFFFAOYSA-N 1 0 417.351 4.090 20 30 HIEDRO C=CCC1(C(=O)NC2CC[NH+](CCOc3ccc(Br)cc3)CC2)CCC1 ZINC000480005488 895359135 /nfs/dbraw/zinc/35/91/35/895359135.db2.gz IGIYCDFAIRUPCS-UHFFFAOYSA-N 1 0 421.379 4.155 20 30 HIEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)N2CCC(F)(C#N)CC2)cc1)C[C@@H]1CCCCO1 ZINC000480686870 896048868 /nfs/dbraw/zinc/04/88/68/896048868.db2.gz VULQXFGESYCOFU-NRFANRHFSA-N 1 0 416.541 4.326 20 30 HIEDRO CCN(C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2Br)C1)CC(F)(F)F ZINC000481118602 896444610 /nfs/dbraw/zinc/44/46/10/896444610.db2.gz PTXGGHPSFNTVLN-CQSZACIVSA-N 1 0 404.274 4.027 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000481174514 896508696 /nfs/dbraw/zinc/50/86/96/896508696.db2.gz HSIYBPWJQMOZHS-URXFXBBRSA-N 1 0 418.585 4.050 20 30 HIEDRO C=C(C)[C@H]([NH2+]CCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccc(F)c(F)c1 ZINC000481604339 896985054 /nfs/dbraw/zinc/98/50/54/896985054.db2.gz DTVSKZKKQYGQDH-FQEVSTJZSA-N 1 0 405.401 4.117 20 30 HIEDRO C=C(C)[C@@H]([NH2+]CCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)c1ccc(F)c(F)c1 ZINC000481617879 897001802 /nfs/dbraw/zinc/00/18/02/897001802.db2.gz AGFHXSHVOGLBEB-HXUWFJFHSA-N 1 0 405.401 4.117 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)NC3CC[NH+](CC4CC4)CC3)cc2F)c1 ZINC000481629799 897014636 /nfs/dbraw/zinc/01/46/36/897014636.db2.gz RYVIXTIBSYDKAG-UHFFFAOYSA-N 1 0 422.504 4.272 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cc2F)c1 ZINC000481652576 897037720 /nfs/dbraw/zinc/03/77/20/897037720.db2.gz CXCCYKALIIKEIP-RTWAWAEBSA-N 1 0 408.477 4.025 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000481665767 897050644 /nfs/dbraw/zinc/05/06/44/897050644.db2.gz IKFIGUFGLZNOTP-XMMPIXPASA-N 1 0 423.582 4.016 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000481680069 897063729 /nfs/dbraw/zinc/06/37/29/897063729.db2.gz WVIFVGOMHHDDAP-YLJYHZDGSA-N 1 0 415.331 4.118 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCCCc2cc(C#N)ccc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000481916347 897298870 /nfs/dbraw/zinc/29/88/70/897298870.db2.gz CYQUUXAIRBEMOR-OSPHWJPCSA-N 1 0 403.526 4.334 20 30 HIEDRO COc1cccc([C@@H]2[C@@H](NC(=O)Nc3cc(C#N)cn3C(C)(C)C)CC[N@@H+]2C2CC2)c1 ZINC000481926849 897310545 /nfs/dbraw/zinc/31/05/45/897310545.db2.gz WDDCDWVICGXGNK-RBBKRZOGSA-N 1 0 421.545 4.223 20 30 HIEDRO C[NH+](C)CCCOC1CCN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)CC1 ZINC000482024541 897430825 /nfs/dbraw/zinc/43/08/25/897430825.db2.gz GNNZCZGKODQFEH-UHFFFAOYSA-N 1 0 423.582 4.282 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2ccccc2C(F)(F)F)C(F)(F)F)CC1 ZINC000482430560 897987337 /nfs/dbraw/zinc/98/73/37/897987337.db2.gz BGUXJVXQMSKATE-HNNXBMFYSA-N 1 0 409.374 4.258 20 30 HIEDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)[C@H]1Oc1ccccc1 ZINC000482515050 898101786 /nfs/dbraw/zinc/10/17/86/898101786.db2.gz VUUFWXVIVLTBHO-VDKIKQQVSA-N 1 0 416.525 4.178 20 30 HIEDRO C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]Cc1cccc(OCc2ccccc2C#N)c1 ZINC000482663035 898265277 /nfs/dbraw/zinc/26/52/77/898265277.db2.gz MTWVMEJUTPUVOH-LJQANCHMSA-N 1 0 424.504 4.025 20 30 HIEDRO COc1cc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)ccc1OCC(C)C ZINC000482670850 898272784 /nfs/dbraw/zinc/27/27/84/898272784.db2.gz HGDHMCYQTFRNCS-UHFFFAOYSA-N 1 0 421.541 4.018 20 30 HIEDRO COc1cccc([C@@H]2[C@H](NC(=O)c3cccc(SCC#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000482790693 898398719 /nfs/dbraw/zinc/39/87/19/898398719.db2.gz HUNFDVDJKYKFKU-FGZHOGPDSA-N 1 0 407.539 4.019 20 30 HIEDRO C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000482874699 898488189 /nfs/dbraw/zinc/48/81/89/898488189.db2.gz JLJNWCILVFMQOA-WNOPAQSVSA-N 1 0 406.549 4.166 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1cnn(Cc2ccccc2)c1 ZINC000482887951 898504500 /nfs/dbraw/zinc/50/45/00/898504500.db2.gz LRMMZTXEHMGYSY-XMSQKQJNSA-N 1 0 403.505 4.262 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(-n2cncn2)cc1Cl ZINC000482892855 898511967 /nfs/dbraw/zinc/51/19/67/898511967.db2.gz VFLAGJFKDWLEQU-DOTOQJQBSA-N 1 0 424.911 4.251 20 30 HIEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccccc3COc3ccc(CC#N)cc3)CC[C@@H]21 ZINC000482989960 898631832 /nfs/dbraw/zinc/63/18/32/898631832.db2.gz VQQKPBDAFODKMQ-RDPSFJRHSA-N 1 0 418.541 4.280 20 30 HIEDRO CS[C@@H]1CN(C(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@H]1[NH+]1CCCC1 ZINC000483391278 899025777 /nfs/dbraw/zinc/02/57/77/899025777.db2.gz HUUKPLZELSIAHB-IFMALSPDSA-N 1 0 423.607 4.361 20 30 HIEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000505620610 914323101 /nfs/dbraw/zinc/32/31/01/914323101.db2.gz KRIMBCYFGSZDQS-RXVVDRJESA-N 1 0 411.571 4.005 20 30 HIEDRO C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000483685799 899344585 /nfs/dbraw/zinc/34/45/85/899344585.db2.gz USPPNJSBDRCVOH-XMMPIXPASA-N 1 0 402.542 4.143 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000483771748 899435058 /nfs/dbraw/zinc/43/50/58/899435058.db2.gz HBIFNMYDJFVWKR-UHFFFAOYSA-N 1 0 412.603 4.008 20 30 HIEDRO C=CCN(CC1CCCCC1)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000483910809 899578289 /nfs/dbraw/zinc/57/82/89/899578289.db2.gz FVZQVJYRKFKTDH-HXUWFJFHSA-N 1 0 403.567 4.084 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(C(=O)Nc3ccccc3Br)CC2)cc1F ZINC000484066185 899699474 /nfs/dbraw/zinc/69/94/74/899699474.db2.gz IMTDMBXDRZOXFU-UHFFFAOYSA-N 1 0 416.294 4.311 20 30 HIEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)c1ccco1 ZINC000484465339 899959960 /nfs/dbraw/zinc/95/99/60/899959960.db2.gz MWPSCABMTZFDQC-IUODEOHRSA-N 1 0 410.396 4.301 20 30 HIEDRO C=CCn1c(SC[C@@H]2CC[N@@H+](C)C2)nc2scc(-c3cccs3)c2c1=O ZINC000484480096 899971554 /nfs/dbraw/zinc/97/15/54/899971554.db2.gz KQEKMWWXYXCJNZ-CYBMUJFWSA-N 1 0 403.598 4.416 20 30 HIEDRO C=CC[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)CC1CCCCC1 ZINC000484492034 899984082 /nfs/dbraw/zinc/98/40/82/899984082.db2.gz UAPZPCRBMKPJTC-UHFFFAOYSA-N 1 0 410.312 4.364 20 30 HIEDRO N#Cc1ccc(SCC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)cc1 ZINC000484694659 900130543 /nfs/dbraw/zinc/13/05/43/900130543.db2.gz JDLRZOWWUWPMCZ-IBGZPJMESA-N 1 0 417.937 4.396 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000484696276 900132515 /nfs/dbraw/zinc/13/25/15/900132515.db2.gz YCTAPAQREAKRPW-WOJBJXKFSA-N 1 0 403.615 4.308 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000485059242 900386308 /nfs/dbraw/zinc/38/63/08/900386308.db2.gz HOSMRPRKPBAQLX-DRSNIGMVSA-N 1 0 403.592 4.186 20 30 HIEDRO CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000485272115 900552747 /nfs/dbraw/zinc/55/27/47/900552747.db2.gz LRECONOXIKRJHC-HSZRJFAPSA-N 1 0 413.525 4.153 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]CC3(c4cccc(Cl)c4)CCOCC3)C2=O)cc1 ZINC000485276990 900555297 /nfs/dbraw/zinc/55/52/97/900555297.db2.gz XVHGXYHUNLNFQW-JOCHJYFZSA-N 1 0 423.944 4.045 20 30 HIEDRO Cc1csc(Nc2ccc(C(=O)N(CC[NH+](C)C)Cc3cccc(C#N)c3)cc2)n1 ZINC000486060294 901255684 /nfs/dbraw/zinc/25/56/84/901255684.db2.gz GWUGPPJXKZZWPW-UHFFFAOYSA-N 1 0 419.554 4.271 20 30 HIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(-c4ccccc4F)s3)C2=O)cc1 ZINC000486882861 901929882 /nfs/dbraw/zinc/92/98/82/901929882.db2.gz QFSSCZJPUSXKSU-NRFANRHFSA-N 1 0 405.498 4.317 20 30 HIEDRO C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(C#N)s2)CC1 ZINC000486889165 901934626 /nfs/dbraw/zinc/93/46/26/901934626.db2.gz VMVBTGYJGKRPTN-UHFFFAOYSA-N 1 0 407.461 4.375 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000486943558 901980821 /nfs/dbraw/zinc/98/08/21/901980821.db2.gz VMCRXTRTJJQQLY-QHCPKHFHSA-N 1 0 406.530 4.250 20 30 HIEDRO Cc1nc(-c2ccc(C)cc2NC(=O)C[N@H+](Cc2ccc(C#N)cc2)CC(C)C)n[nH]1 ZINC000487366967 902163096 /nfs/dbraw/zinc/16/30/96/902163096.db2.gz RNGBGCGHQAMNHU-UHFFFAOYSA-N 1 0 416.529 4.057 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1Cl ZINC000505952768 914606345 /nfs/dbraw/zinc/60/63/45/914606345.db2.gz JNPVEZIJHYUIHN-SFHVURJKSA-N 1 0 412.896 4.407 20 30 HIEDRO Cc1cc(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)ccc1C#N ZINC000488110965 902611885 /nfs/dbraw/zinc/61/18/85/902611885.db2.gz FNMUWGHPOBWHPK-HXUWFJFHSA-N 1 0 401.432 4.339 20 30 HIEDRO COc1cccc([C@H](C)[NH+]2CCN(c3c(C#N)cnc4c(F)cc(F)cc43)CC2)c1 ZINC000488150886 902645168 /nfs/dbraw/zinc/64/51/68/902645168.db2.gz QEHMMQGBMMGGMS-HNNXBMFYSA-N 1 0 408.452 4.276 20 30 HIEDRO C=CCC[C@H](O)C[NH+]1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000488187581 902673162 /nfs/dbraw/zinc/67/31/62/902673162.db2.gz VRASWWNXXDFAKV-HNNXBMFYSA-N 1 0 406.324 4.006 20 30 HIEDRO C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccc(Oc2ccc(C#N)cc2)cc1 ZINC000488344706 902778415 /nfs/dbraw/zinc/77/84/15/902778415.db2.gz IDYOBLHDLUOZDT-SFHVURJKSA-N 1 0 420.513 4.068 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000488400443 902808722 /nfs/dbraw/zinc/80/87/22/902808722.db2.gz COBHJYHWGVBEEF-FGZHOGPDSA-N 1 0 411.571 4.432 20 30 HIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+][C@@H]3CCc4c3ccc(Cl)c4Cl)C2=O)cc1 ZINC000488464567 902838974 /nfs/dbraw/zinc/83/89/74/902838974.db2.gz JYXJCLSGTNFQQG-RTBURBONSA-N 1 0 400.309 4.243 20 30 HIEDRO CC[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(Br)cc1 ZINC000488505395 902861174 /nfs/dbraw/zinc/86/11/74/902861174.db2.gz YRQFQOUGPKGKBT-WOJBJXKFSA-N 1 0 412.331 4.163 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCCCOc1cccc(C#N)c1 ZINC000488509067 902862973 /nfs/dbraw/zinc/86/29/73/902862973.db2.gz UUIVINCBGOAXMQ-GBXCKJPGSA-N 1 0 405.542 4.134 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)CC1 ZINC000488933358 903083779 /nfs/dbraw/zinc/08/37/79/903083779.db2.gz BKXYOMLMTBUXNG-LJQANCHMSA-N 1 0 424.358 4.379 20 30 HIEDRO C=C[C@H]1CCCC[N@H+]1CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000489408295 903371810 /nfs/dbraw/zinc/37/18/10/903371810.db2.gz VXBLVYVGCFPGNE-XXBNENTESA-N 1 0 405.542 4.499 20 30 HIEDRO CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000489740692 903569440 /nfs/dbraw/zinc/56/94/40/903569440.db2.gz LNOHZMBKNLBMDE-RUZDIDTESA-N 1 0 418.585 4.290 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H](Nc3ccccc3)C2)sc2c1CCCC2 ZINC000490042750 903737664 /nfs/dbraw/zinc/73/76/64/903737664.db2.gz OUWMLLLVZOPUQZ-GOSISDBHSA-N 1 0 408.571 4.404 20 30 HIEDRO C=CCN1CCC([NH2+][C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)CC1 ZINC000491032580 904384270 /nfs/dbraw/zinc/38/42/70/904384270.db2.gz BSROSUDREOUUMS-XMMPIXPASA-N 1 0 412.599 4.036 20 30 HIEDRO C=CCN1CCC([NH2+][C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(C)cc2C)CC1 ZINC000491032579 904384641 /nfs/dbraw/zinc/38/46/41/904384641.db2.gz BSROSUDREOUUMS-DEOSSOPVSA-N 1 0 412.599 4.036 20 30 HIEDRO C=C(C)CN1CCC([NH2+][C@@H](c2ccc(C)cc2)c2cccc(S(C)(=O)=O)c2)CC1 ZINC000491034533 904387201 /nfs/dbraw/zinc/38/72/01/904387201.db2.gz HGXLXFPOQXRJKU-DEOSSOPVSA-N 1 0 412.599 4.118 20 30 HIEDRO Cn1cc(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000491089288 904421171 /nfs/dbraw/zinc/42/11/71/904421171.db2.gz DVRLQAIFNJYPDO-UHFFFAOYSA-N 1 0 420.463 4.332 20 30 HIEDRO CC[NH+](CC)CCN(Cc1cccs1)Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000491890917 904720953 /nfs/dbraw/zinc/72/09/53/904720953.db2.gz OFUAQGNUIAJVSQ-UHFFFAOYSA-N 1 0 407.587 4.364 20 30 HIEDRO CCC[N@H+](CC)Cc1ccc(C(=O)NCc2nc(-c3cccc(C#N)c3)c[nH]2)cc1 ZINC000492035507 904768665 /nfs/dbraw/zinc/76/86/65/904768665.db2.gz VZQPZNGCIAJGNJ-UHFFFAOYSA-N 1 0 401.514 4.110 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(F)c(Br)c(Cl)c2)CC1 ZINC000492153346 904806682 /nfs/dbraw/zinc/80/66/82/904806682.db2.gz AEDAKMXSGJTZLX-UHFFFAOYSA-N 1 0 404.711 4.404 20 30 HIEDRO Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]([C@H]4CCCN(c5ccc(C#N)cc5)C4=O)C3)nc2c1 ZINC000492812750 904910896 /nfs/dbraw/zinc/91/08/96/904910896.db2.gz ZVWKYVNGRBWIFT-XXBNENTESA-N 1 0 413.525 4.118 20 30 HIEDRO C[N@H+](CCC(=O)Nc1ccccc1C#N)Cc1cc(Br)ccc1Cl ZINC000494247365 905574507 /nfs/dbraw/zinc/57/45/07/905574507.db2.gz JMMXCMJALGFLKK-UHFFFAOYSA-N 1 0 406.711 4.435 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000494445588 905730719 /nfs/dbraw/zinc/73/07/19/905730719.db2.gz JVTRRBJHWXWAFL-RQUSPXKASA-N 1 0 404.297 4.312 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CCO[C@@H]2c2ccc(Cl)cc2)c1 ZINC000494484355 905768094 /nfs/dbraw/zinc/76/80/94/905768094.db2.gz JZVJDSZDQHLDDZ-JTHBVZDNSA-N 1 0 411.933 4.323 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000494489200 905772850 /nfs/dbraw/zinc/77/28/50/905772850.db2.gz CGVDJHRKVOJTQH-ONGXBYRLSA-N 1 0 415.896 4.234 20 30 HIEDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1CCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000512487521 921194838 /nfs/dbraw/zinc/19/48/38/921194838.db2.gz VSARCFMFBYZGLK-DLBZAZTESA-N 1 0 403.592 4.233 20 30 HIEDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 ZINC000495008247 906169201 /nfs/dbraw/zinc/16/92/01/906169201.db2.gz XCHURQNCMYBWKW-MOXWOTFGSA-N 1 0 424.589 4.009 20 30 HIEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@H](C(F)(F)F)C1 ZINC000495379250 906416033 /nfs/dbraw/zinc/41/60/33/906416033.db2.gz DQYFCGTWGKYNLD-RTBURBONSA-N 1 0 405.464 4.083 20 30 HIEDRO Cc1csc([C@H]([NH2+]CCC(=O)Nc2sc3c(c2C#N)CCCC3)C2CC2)n1 ZINC000495450379 906457252 /nfs/dbraw/zinc/45/72/52/906457252.db2.gz OHNAOUUDFHYJIS-GOSISDBHSA-N 1 0 400.573 4.333 20 30 HIEDRO Cc1ccccc1C1(C[NH2+][C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CCOCC1 ZINC000495638312 906518258 /nfs/dbraw/zinc/51/82/58/906518258.db2.gz KPYPULRKOLXHQF-KRWDZBQOSA-N 1 0 423.582 4.082 20 30 HIEDRO COc1cc(C[NH+]2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1OC(F)F ZINC000512619059 921264310 /nfs/dbraw/zinc/26/43/10/921264310.db2.gz WAXNGIFDJOZHEC-UHFFFAOYSA-N 1 0 415.440 4.019 20 30 HIEDRO C[C@H]([NH2+]C[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc(C#N)cc1F ZINC000512625068 921266725 /nfs/dbraw/zinc/26/67/25/921266725.db2.gz LMFLGNQZWIUWIR-YCRPNKLZSA-N 1 0 421.438 4.440 20 30 HIEDRO CC[N@H+](CC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497620615 907099574 /nfs/dbraw/zinc/09/95/74/907099574.db2.gz ZYEBWQOXMKQKPQ-OAHLLOKOSA-N 1 0 405.420 4.156 20 30 HIEDRO CC(C)Oc1ccc([C@H](CNC(=O)N(Cc2ccc(C#N)cc2)C2CC2)[NH+](C)C)cc1 ZINC000512801867 921314031 /nfs/dbraw/zinc/31/40/31/921314031.db2.gz IOGYVUNEBIBAKX-DEOSSOPVSA-N 1 0 420.557 4.322 20 30 HIEDRO CSc1ccccc1NC(=O)CC[NH+]1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000512821167 921325316 /nfs/dbraw/zinc/32/53/16/921325316.db2.gz AWHUMVCRWRQTPE-UHFFFAOYSA-N 1 0 413.518 4.291 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)cc1C ZINC000497987162 907465175 /nfs/dbraw/zinc/46/51/75/907465175.db2.gz TYAXOBROYSAKNF-NRFANRHFSA-N 1 0 421.570 4.175 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)c1[nH]c2ccccc2c1Br)C(C)C ZINC000498351184 907853078 /nfs/dbraw/zinc/85/30/78/907853078.db2.gz FHPOEMJGRDHURQ-QGZVFWFLSA-N 1 0 404.352 4.359 20 30 HIEDRO COc1cccc(C2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC000498680442 908109837 /nfs/dbraw/zinc/10/98/37/908109837.db2.gz JSIOMSDUFCVSHI-UHFFFAOYSA-N 1 0 409.555 4.325 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498706266 908131113 /nfs/dbraw/zinc/13/11/13/908131113.db2.gz RAEPGWNOTDGEQU-NZQKXSOJSA-N 1 0 407.558 4.303 20 30 HIEDRO Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c1 ZINC000499043090 908415385 /nfs/dbraw/zinc/41/53/85/908415385.db2.gz JYECPDMGBRZDAB-HXUWFJFHSA-N 1 0 407.558 4.348 20 30 HIEDRO COc1ccc(C[C@H]([NH2+]CC(=O)Nc2ccc(C#N)cc2)c2ccc(OC)cc2)cc1 ZINC000499052233 908423777 /nfs/dbraw/zinc/42/37/77/908423777.db2.gz ILXAGAQWLCOCAS-DEOSSOPVSA-N 1 0 415.493 4.088 20 30 HIEDRO CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499511059 908823446 /nfs/dbraw/zinc/82/34/46/908823446.db2.gz QGYJAZWNLAWMJE-XMMPIXPASA-N 1 0 405.542 4.085 20 30 HIEDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000499629774 908861133 /nfs/dbraw/zinc/86/11/33/908861133.db2.gz AFGFTWMCHASKOS-INIZCTEOSA-N 1 0 414.347 4.015 20 30 HIEDRO C=CCN1CC[C@@H]([NH2+][C@H](C)c2sc(-c3ccc(Br)cc3)nc2C)C1=O ZINC000499629481 908861435 /nfs/dbraw/zinc/86/14/35/908861435.db2.gz ZRJWLMJRWRJVKP-MLGOLLRUSA-N 1 0 420.376 4.319 20 30 HIEDRO COc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)c2ccccc2)cc1OCCCC#N ZINC000513088569 921539525 /nfs/dbraw/zinc/53/95/25/921539525.db2.gz ILGIHUWCICYSCX-QFIPXVFZSA-N 1 0 421.541 4.162 20 30 HIEDRO C=CCc1cc(C[NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)cc(OC)c1O ZINC000500903399 910173543 /nfs/dbraw/zinc/17/35/43/910173543.db2.gz YRXQJOQQWWHYEU-GOSISDBHSA-N 1 0 417.347 4.260 20 30 HIEDRO COC(=O)C[C@](C)([NH2+]Cc1ccc(C#N)c(C)c1)c1ccc(Br)cc1 ZINC000513123385 921567065 /nfs/dbraw/zinc/56/70/65/921567065.db2.gz USSLOSIEYBRCRQ-FQEVSTJZSA-N 1 0 401.304 4.197 20 30 HIEDRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(CC#N)cc1)c1ccc(Br)cc1 ZINC000513137916 921577737 /nfs/dbraw/zinc/57/77/37/921577737.db2.gz BVEXSIRSXHHVGB-HXUWFJFHSA-N 1 0 401.304 4.083 20 30 HIEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+]CC1(c2ccc(Cl)cc2Cl)CCOCC1 ZINC000513168120 921596256 /nfs/dbraw/zinc/59/62/56/921596256.db2.gz RPLBMBWMUWETFH-INIZCTEOSA-N 1 0 411.373 4.220 20 30 HIEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc(C#N)cc1 ZINC000501788430 910840593 /nfs/dbraw/zinc/84/05/93/910840593.db2.gz GCFKABGXQPYGNT-UHFFFAOYSA-N 1 0 420.340 4.224 20 30 HIEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000501833930 910875086 /nfs/dbraw/zinc/87/50/86/910875086.db2.gz XPUVBPGHMOAGQV-IBGZPJMESA-N 1 0 406.530 4.328 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000501836866 910878072 /nfs/dbraw/zinc/87/80/72/910878072.db2.gz YNMSSTINLFKZDW-FPOVZHCZSA-N 1 0 401.599 4.205 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(CCC(F)(F)F)cc1 ZINC000501849028 910882936 /nfs/dbraw/zinc/88/29/36/910882936.db2.gz LSGBKHOVWWRVQU-UHFFFAOYSA-N 1 0 403.448 4.257 20 30 HIEDRO CN1CC[C@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000502156804 911077829 /nfs/dbraw/zinc/07/78/29/911077829.db2.gz RVUSDDDYUORDLH-GOTSBHOMSA-N 1 0 422.479 4.081 20 30 HIEDRO N#Cc1ccc(C2=CCN(C(=O)NC[C@@H]3CCC[N@H+](Cc4cccs4)C3)CC2)cc1 ZINC000502307933 911272860 /nfs/dbraw/zinc/27/28/60/911272860.db2.gz WBORNGZCAJKOFQ-FQEVSTJZSA-N 1 0 420.582 4.331 20 30 HIEDRO C[NH+](C)[C@@H]1Cc2ccccc2N(C(=O)c2cccc(COc3ccccc3C#N)c2)C1 ZINC000513284265 921682937 /nfs/dbraw/zinc/68/29/37/921682937.db2.gz LLBYTDPPTRVKQG-HSZRJFAPSA-N 1 0 411.505 4.270 20 30 HIEDRO C[C@H]([NH2+]C(C)(C)CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000502810672 911828369 /nfs/dbraw/zinc/82/83/69/911828369.db2.gz ASRDDJPRKWIHKY-KRWDZBQOSA-N 1 0 417.475 4.486 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000502829166 911842536 /nfs/dbraw/zinc/84/25/36/911842536.db2.gz QTSOJWZQEMIHQL-HSZRJFAPSA-N 1 0 403.526 4.228 20 30 HIEDRO COc1sc(CN2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1Br ZINC000506297293 914891821 /nfs/dbraw/zinc/89/18/21/914891821.db2.gz INMAALIEJVLPSQ-UHFFFAOYSA-N 1 0 420.376 4.099 20 30 HIEDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)C1 ZINC000506358724 914981194 /nfs/dbraw/zinc/98/11/94/914981194.db2.gz ZWJBKGVBXXPRBE-AWEZNQCLSA-N 1 0 412.456 4.131 20 30 HIEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506475120 915075229 /nfs/dbraw/zinc/07/52/29/915075229.db2.gz SKIQGNDBFGQHFO-QHAWAJNXSA-N 1 0 414.569 4.047 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000506477450 915079775 /nfs/dbraw/zinc/07/97/75/915079775.db2.gz BEBUMAHQDXIQSA-DHIUTWEWSA-N 1 0 410.606 4.137 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 ZINC000506487174 915092122 /nfs/dbraw/zinc/09/21/22/915092122.db2.gz NSPWCCLZYXOKBH-ZWKOTPCHSA-N 1 0 414.619 4.023 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cc(OC)ccc1Br)C(C)C ZINC000506511343 915135615 /nfs/dbraw/zinc/13/56/15/915135615.db2.gz JXYLWOUCUDPXIE-SFHVURJKSA-N 1 0 410.356 4.278 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 ZINC000506560546 915206973 /nfs/dbraw/zinc/20/69/73/915206973.db2.gz HGWPEKZGMBVDAW-PMACEKPBSA-N 1 0 416.997 4.173 20 30 HIEDRO CC(C)[NH+](CCN(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)C(C)C ZINC000506898298 915694164 /nfs/dbraw/zinc/69/41/64/915694164.db2.gz MSHYXGFFHQVZEN-UHFFFAOYSA-N 1 0 421.545 4.393 20 30 HIEDRO CCCCNC(=O)C1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000507023454 915828026 /nfs/dbraw/zinc/82/80/26/915828026.db2.gz UQIFRSYQWNJDRS-UHFFFAOYSA-N 1 0 405.542 4.266 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)C[C@H]2OCCc3ccccc32)c1 ZINC000507225921 915979565 /nfs/dbraw/zinc/97/95/65/915979565.db2.gz ACHKRCZPVAUWSK-GBXCKJPGSA-N 1 0 405.542 4.184 20 30 HIEDRO N#Cc1ccccc1N1CC[NH+](CCC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000507278254 916042987 /nfs/dbraw/zinc/04/29/87/916042987.db2.gz LDRZDJIGZHZWDZ-UHFFFAOYSA-N 1 0 410.521 4.376 20 30 HIEDRO Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c(C#N)c1C ZINC000507638350 916397668 /nfs/dbraw/zinc/39/76/68/916397668.db2.gz RZCQRMDUZJSPBB-INIZCTEOSA-N 1 0 405.502 4.050 20 30 HIEDRO N#Cc1ccc(OC2CCC([NH2+]Cc3cc(F)ccc3Br)CC2)nc1 ZINC000507730016 916524035 /nfs/dbraw/zinc/52/40/35/916524035.db2.gz BREAMDZHVJBLKW-UHFFFAOYSA-N 1 0 404.283 4.335 20 30 HIEDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000507765888 916550311 /nfs/dbraw/zinc/55/03/11/916550311.db2.gz HRKJJOJWJGCCDE-UHFFFAOYSA-N 1 0 401.514 4.236 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)ccc1OC ZINC000507765424 916551121 /nfs/dbraw/zinc/55/11/21/916551121.db2.gz DDYDTMHXGZTYRZ-UHFFFAOYSA-N 1 0 407.514 4.397 20 30 HIEDRO CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000507822335 916618667 /nfs/dbraw/zinc/61/86/67/916618667.db2.gz IGVLESDIVCTYFM-FQEVSTJZSA-N 1 0 405.542 4.227 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]Cc2ccc(OC)c(O)c2)cc1OC ZINC000508049339 916877169 /nfs/dbraw/zinc/87/71/69/916877169.db2.gz WOMMSUFXZHGDAG-UHFFFAOYSA-N 1 0 408.292 4.027 20 30 HIEDRO C=CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508463288 917248319 /nfs/dbraw/zinc/24/83/19/917248319.db2.gz FTFLFLWISKMAJU-UHFFFAOYSA-N 1 0 420.586 4.238 20 30 HIEDRO C=CCn1c(-c2cccnc2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508476354 917260768 /nfs/dbraw/zinc/26/07/68/917260768.db2.gz CNVQXQIDEHSUHP-GOTSBHOMSA-N 1 0 414.557 4.017 20 30 HIEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC000508480966 917265125 /nfs/dbraw/zinc/26/51/25/917265125.db2.gz MBWBQGBNSDMMGE-UHFFFAOYSA-N 1 0 424.552 4.044 20 30 HIEDRO C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000508492525 917277438 /nfs/dbraw/zinc/27/74/38/917277438.db2.gz WJZVVUIFRSHXND-QGZVFWFLSA-N 1 0 419.495 4.462 20 30 HIEDRO C=CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000508505717 917291203 /nfs/dbraw/zinc/29/12/03/917291203.db2.gz OAXXZDNBQHHOLG-WOJBJXKFSA-N 1 0 409.578 4.231 20 30 HIEDRO C=CCn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508730270 917491808 /nfs/dbraw/zinc/49/18/08/917491808.db2.gz OCMUSCITJVVVMD-CVDCTZTESA-N 1 0 414.557 4.132 20 30 HIEDRO C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000508750521 917508847 /nfs/dbraw/zinc/50/88/47/917508847.db2.gz ZQHUNVIDPBSTCU-UHFFFAOYSA-N 1 0 415.969 4.009 20 30 HIEDRO C=CCn1c(COc2ccccc2CC)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508847746 917600454 /nfs/dbraw/zinc/60/04/54/917600454.db2.gz LJOMTGQUYRBXBV-UNMCSNQZSA-N 1 0 421.589 4.059 20 30 HIEDRO C=CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000508849589 917602334 /nfs/dbraw/zinc/60/23/34/917602334.db2.gz RALVQNIPVQXGQV-INIZCTEOSA-N 1 0 418.383 4.062 20 30 HIEDRO C=CCn1c(Cc2ccccc2F)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508884045 917638029 /nfs/dbraw/zinc/63/80/29/917638029.db2.gz FHOBOAHSINEHQQ-NRFANRHFSA-N 1 0 419.548 4.152 20 30 HIEDRO C=CCn1c(-c2cc(C)oc2C)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508896942 917653141 /nfs/dbraw/zinc/65/31/41/917653141.db2.gz VLFBGDFGCKCJAQ-NRFANRHFSA-N 1 0 405.546 4.299 20 30 HIEDRO C=CCn1c(Cc2ccc3ccccc3c2)nnc1N1CC[C@H](C[NH+](CC)CC)C1 ZINC000508909319 917665449 /nfs/dbraw/zinc/66/54/49/917665449.db2.gz ZBFWMMGQMOIMPB-OAQYLSRUSA-N 1 0 403.574 4.376 20 30 HIEDRO C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000508915006 917672225 /nfs/dbraw/zinc/67/22/25/917672225.db2.gz VTCQUXDHZSDUHH-OAQYLSRUSA-N 1 0 423.605 4.156 20 30 HIEDRO C=CCn1c(-c2cccc3cccnc32)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508936920 917693610 /nfs/dbraw/zinc/69/36/10/917693610.db2.gz APWYPIJBAVQJPK-SIKLNZKXSA-N 1 0 414.557 4.132 20 30 HIEDRO C=CCn1c(COc2ccccc2-c2ccccc2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000508955919 917712643 /nfs/dbraw/zinc/71/26/43/917712643.db2.gz LBWAWWLPICCGGZ-UHFFFAOYSA-N 1 0 417.557 4.241 20 30 HIEDRO N#CCCn1cc(C[N@@H+]2CCCN(c3ccccc3C#N)CC2)c(-c2ccccc2)n1 ZINC000509138311 917865209 /nfs/dbraw/zinc/86/52/09/917865209.db2.gz MHQYJEAIDJWCJX-UHFFFAOYSA-N 1 0 410.525 4.048 20 30 HIEDRO C[C@H]1C[C@H](CCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)C[N@@H+]1Cc1ccccc1 ZINC000510071918 918640809 /nfs/dbraw/zinc/64/08/09/918640809.db2.gz NFUKFCMGTDWRQY-UGKGYDQZSA-N 1 0 405.542 4.133 20 30 HIEDRO C=CCSCC[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000510276812 918802490 /nfs/dbraw/zinc/80/24/90/918802490.db2.gz HCWMRAXGAOACGP-SFHVURJKSA-N 1 0 405.907 4.437 20 30 HIEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1ccc(COc2ccccc2C#N)o1)[NH+](C)C ZINC000510526645 918972619 /nfs/dbraw/zinc/97/26/19/918972619.db2.gz UBGXZIJXFPYCEJ-MHECFPHRSA-N 1 0 417.509 4.460 20 30 HIEDRO C[C@@H](NC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510551202 918995389 /nfs/dbraw/zinc/99/53/89/918995389.db2.gz OOVPLPJPVOOYDW-AEFFLSMTSA-N 1 0 407.480 4.009 20 30 HIEDRO CC(C)(C#N)c1ccc(NC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000510585153 919028525 /nfs/dbraw/zinc/02/85/25/919028525.db2.gz SKURHUBDJHFZCW-UHFFFAOYSA-N 1 0 419.573 4.212 20 30 HIEDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000510934550 919456784 /nfs/dbraw/zinc/45/67/84/919456784.db2.gz FYQFHGHQOFIKIQ-ZWKOTPCHSA-N 1 0 419.529 4.052 20 30 HIEDRO C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510976351 919524461 /nfs/dbraw/zinc/52/44/61/919524461.db2.gz UEFXOIGKAONWTA-PKOBYXMFSA-N 1 0 407.514 4.113 20 30 HIEDRO C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510976348 919524653 /nfs/dbraw/zinc/52/46/53/919524653.db2.gz UEFXOIGKAONWTA-MJGOQNOKSA-N 1 0 407.514 4.113 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[NH+](CCC(C)(C)C)CC2)cc1 ZINC000510993739 919550604 /nfs/dbraw/zinc/55/06/04/919550604.db2.gz CSFYXVYDLQAILL-UHFFFAOYSA-N 1 0 412.578 4.087 20 30 HIEDRO C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511271844 919869408 /nfs/dbraw/zinc/86/94/08/919869408.db2.gz XGSPPENFJIBRJQ-HUUCEWRRSA-N 1 0 424.467 4.274 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H](c3ccccc3)C3CCC3)CC2)cc1 ZINC000511288714 919885550 /nfs/dbraw/zinc/88/55/50/919885550.db2.gz MEOUUENHIALZPQ-XMMPIXPASA-N 1 0 402.542 4.317 20 30 HIEDRO C[C@H](NC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)C1=CC[N@H+](C)CC1 ZINC000511291873 919888180 /nfs/dbraw/zinc/88/81/80/919888180.db2.gz WJJVVFHOXQLXBE-SFHVURJKSA-N 1 0 404.514 4.104 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H](c3ccc(F)cc3)C3CCC3)CC2)cc1 ZINC000511328354 919918320 /nfs/dbraw/zinc/91/83/20/919918320.db2.gz RVVXOIPVYUJQSC-XMMPIXPASA-N 1 0 420.532 4.456 20 30 HIEDRO N#Cc1ccc(CCC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000511770524 920459013 /nfs/dbraw/zinc/45/90/13/920459013.db2.gz MKSMKQCCHHFZOZ-IZZNHLLZSA-N 1 0 409.533 4.275 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)c1 ZINC000511793310 920488225 /nfs/dbraw/zinc/48/82/25/920488225.db2.gz QBAWHXSEWWMTKC-UBFVSLLYSA-N 1 0 417.553 4.055 20 30 HIEDRO N#Cc1cccc(CNC(=O)C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)c1 ZINC000511873675 920604869 /nfs/dbraw/zinc/60/48/69/920604869.db2.gz KUTRKGGXVLSPLB-VQTJNVASSA-N 1 0 401.432 4.119 20 30 HIEDRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C1 ZINC000512290587 921044667 /nfs/dbraw/zinc/04/46/67/921044667.db2.gz ZRGDLUXXHDMMQM-IMWIBFENSA-N 1 0 409.578 4.240 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000512347321 921093049 /nfs/dbraw/zinc/09/30/49/921093049.db2.gz OHZSPYRXGAOIMH-AVRDEDQJSA-N 1 0 423.582 4.391 20 30 HIEDRO C=C(C)COc1cc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)ccc1OC ZINC000512364965 921106766 /nfs/dbraw/zinc/10/67/66/921106766.db2.gz PKAPGDTVUIWTAZ-UHFFFAOYSA-N 1 0 409.574 4.184 20 30 HIEDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1 ZINC000513659106 921981061 /nfs/dbraw/zinc/98/10/61/921981061.db2.gz CMDYPLLURSROSX-UHFFFAOYSA-N 1 0 407.905 4.491 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H](COc3ccccc3Cl)C2)CC1 ZINC000514003121 922327827 /nfs/dbraw/zinc/32/78/27/922327827.db2.gz HRIXFZYZAMRNJK-SFHVURJKSA-N 1 0 405.970 4.181 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(N4CCc5ccccc5C4)nc3)CC2)cc1 ZINC000514106091 922434940 /nfs/dbraw/zinc/43/49/40/922434940.db2.gz VPGLFQKDJAQGSD-UHFFFAOYSA-N 1 0 423.564 4.275 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3cccc(Br)c3)CC2)CC1 ZINC000514230190 922565980 /nfs/dbraw/zinc/56/59/80/922565980.db2.gz IKWJIPSTKQTAJU-UHFFFAOYSA-N 1 0 420.395 4.379 20 30 HIEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000514831408 922818833 /nfs/dbraw/zinc/81/88/33/922818833.db2.gz NAFDWVYOAGALLL-PGRDOPGGSA-N 1 0 400.530 4.016 20 30 HIEDRO N#Cc1ccc(Cc2cnc(NC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C3)s2)cc1 ZINC000515217573 922999369 /nfs/dbraw/zinc/99/93/69/922999369.db2.gz PSEGCYOIHDNEBV-HXUWFJFHSA-N 1 0 417.538 4.002 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](c2cccs2)C(C)(C)CO)ccc1Cl ZINC000515923078 923437693 /nfs/dbraw/zinc/43/76/93/923437693.db2.gz YMOZLXLKJOASGX-HXUWFJFHSA-N 1 0 419.978 4.306 20 30 HIEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000516196771 923592658 /nfs/dbraw/zinc/59/26/58/923592658.db2.gz JQCXIATWYNBHPB-IBGZPJMESA-N 1 0 420.561 4.344 20 30 HIEDRO CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Nc1ccc(C#N)c(F)c1 ZINC000516217532 923605729 /nfs/dbraw/zinc/60/57/29/923605729.db2.gz MNYDXVJNZUFURO-KSFYIVLOSA-N 1 0 409.509 4.165 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)CC1 ZINC000517342027 924116327 /nfs/dbraw/zinc/11/63/27/924116327.db2.gz ZGBGXISALBQCQS-UHFFFAOYSA-N 1 0 418.994 4.489 20 30 HIEDRO COC1CC[NH+](C(C)(C)CNC(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CC1 ZINC000517531504 924250071 /nfs/dbraw/zinc/25/00/71/924250071.db2.gz HSQRBRULOLNVQZ-UHFFFAOYSA-N 1 0 422.529 4.361 20 30 HIEDRO CCN(C(=O)CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H](C)c1ccc(C#N)cc1 ZINC000517644076 926750901 /nfs/dbraw/zinc/75/09/01/926750901.db2.gz CQHXOBRWORSUGD-NRFANRHFSA-N 1 0 404.558 4.070 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(C(C)(C)C)nn2Cc2ccccc2)CC1 ZINC000518004486 926945850 /nfs/dbraw/zinc/94/58/50/926945850.db2.gz LZYOCROISVLOHB-UHFFFAOYSA-N 1 0 409.578 4.391 20 30 HIEDRO C=CC[N@H+](Cc1ccc(Br)cc1F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000518255108 927112705 /nfs/dbraw/zinc/11/27/05/927112705.db2.gz FXAHTZAGVKTBDA-AWEZNQCLSA-N 1 0 416.298 4.313 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N(Cc2cccc(Br)c2)C(C)C)CC1 ZINC000518513249 927319087 /nfs/dbraw/zinc/31/90/87/927319087.db2.gz YHHJZOSYXMNRNI-UHFFFAOYSA-N 1 0 408.384 4.410 20 30 HIEDRO CN(Cc1ccc(C#N)cc1)C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000518574110 927354963 /nfs/dbraw/zinc/35/49/63/927354963.db2.gz NXKHYSCSRJZKML-UHFFFAOYSA-N 1 0 410.949 4.265 20 30 HIEDRO C=CC[N@H+](Cc1cc(-c2ccc(C)cc2)no1)[C@H](C)c1cccc(-n2cnnn2)c1 ZINC000518753741 927477856 /nfs/dbraw/zinc/47/78/56/927477856.db2.gz ZXNRZBLLSKPDOZ-GOSISDBHSA-N 1 0 400.486 4.375 20 30 HIEDRO N#Cc1ccc(C(F)(F)F)nc1SC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000518803301 927502473 /nfs/dbraw/zinc/50/24/73/927502473.db2.gz SLLKMZDSIHZHSU-KRWDZBQOSA-N 1 0 407.461 4.355 20 30 HIEDRO C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000518867226 927574860 /nfs/dbraw/zinc/57/48/60/927574860.db2.gz RJUUFZIXMFPYTF-GGPKGHCWSA-N 1 0 407.514 4.208 20 30 HIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000518867228 927575556 /nfs/dbraw/zinc/57/55/56/927575556.db2.gz RJUUFZIXMFPYTF-WSTZPKSXSA-N 1 0 407.514 4.208 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)CC1 ZINC000519288059 927864453 /nfs/dbraw/zinc/86/44/53/927864453.db2.gz XFYLPXRAQKVDEY-UHFFFAOYSA-N 1 0 424.520 4.169 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2cc(Cl)cc(Br)c2OC)CC1 ZINC000519287800 927864486 /nfs/dbraw/zinc/86/44/86/927864486.db2.gz PIUSXLFGBPXFRC-UHFFFAOYSA-N 1 0 416.747 4.273 20 30 HIEDRO Cc1ccc(C[N@H+]2CC[C@H](CN(C)[C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726094 928059338 /nfs/dbraw/zinc/05/93/38/928059338.db2.gz QTOGXSCVEIJGHG-NHCUHLMSSA-N 1 0 424.614 4.146 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000520937700 928882334 /nfs/dbraw/zinc/88/23/34/928882334.db2.gz HFGYXVRPYFYRJX-KRWDZBQOSA-N 1 0 409.559 4.262 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000521123156 929009183 /nfs/dbraw/zinc/00/91/83/929009183.db2.gz NSASYOLBVCJVQJ-IBGZPJMESA-N 1 0 414.531 4.191 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000521810720 929468500 /nfs/dbraw/zinc/46/85/00/929468500.db2.gz ABBUQNWDJAACME-KRWDZBQOSA-N 1 0 409.559 4.262 20 30 HIEDRO C[C@@H](OC[C@@H](O)C[NH+]1CCC(Oc2cccc(C#N)c2)CC1)c1ccc(Cl)cc1 ZINC000524666528 929781346 /nfs/dbraw/zinc/78/13/46/929781346.db2.gz CAVKGYRACXAXTE-UTKZUKDTSA-N 1 0 414.933 4.194 20 30 HIEDRO C[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)c1ccc(C#N)cc1 ZINC000524671576 929786554 /nfs/dbraw/zinc/78/65/54/929786554.db2.gz VXOWYKQXTPDLHJ-KRWDZBQOSA-N 1 0 410.949 4.484 20 30 HIEDRO C=CCc1ccc(OC[C@H](O)C[NH+]2CCC(OC3CCC(C)CC3)CC2)c(OC)c1 ZINC000524676937 929790056 /nfs/dbraw/zinc/79/00/56/929790056.db2.gz WAMCDYOLZRWSHO-NJEKYYFSSA-N 1 0 417.590 4.223 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000524895333 929876742 /nfs/dbraw/zinc/87/67/42/929876742.db2.gz VFLYAEDLGMSINB-HXUWFJFHSA-N 1 0 424.976 4.183 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CC[C@H](c2ccccc2)[C@@H](C)C1 ZINC000525124132 930049691 /nfs/dbraw/zinc/04/96/91/930049691.db2.gz YRIWZFQJKXFOAX-ONTIZHBOSA-N 1 0 405.542 4.456 20 30 HIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)cc1 ZINC000527100068 930590216 /nfs/dbraw/zinc/59/02/16/930590216.db2.gz CJFOZTZJPYYCSU-OXYBSBDGSA-N 1 0 401.514 4.488 20 30 HIEDRO N#C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)c1ccc(OC(F)(F)F)cc1 ZINC000530638965 930783047 /nfs/dbraw/zinc/78/30/47/930783047.db2.gz MXBWDFYADRQJAF-LJQANCHMSA-N 1 0 403.404 4.176 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)Cc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000530908053 930856207 /nfs/dbraw/zinc/85/62/07/930856207.db2.gz TZAWAGDDPKMPJJ-FQEVSTJZSA-N 1 0 403.448 4.319 20 30 HIEDRO N#Cc1cc(F)ccc1NC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000530960605 930868510 /nfs/dbraw/zinc/86/85/10/930868510.db2.gz MEWREPHILAXAIL-UHFFFAOYSA-N 1 0 420.410 4.456 20 30 HIEDRO C=CCN(CC=C)[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C(C)C ZINC000532193929 931344347 /nfs/dbraw/zinc/34/43/47/931344347.db2.gz HWYNFZXSFZZTDA-JOCHJYFZSA-N 1 0 403.998 4.233 20 30 HIEDRO CC(C)CN(Cc1csc(-c2ccc(C(N)=O)cc2)n1)Cc1ccc(C#N)cc1 ZINC000532499213 931464167 /nfs/dbraw/zinc/46/41/67/931464167.db2.gz IABUUCSGVPMVOC-UHFFFAOYSA-N 1 0 404.539 4.439 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)C3CCOCC3)sc2C1 ZINC000532587747 931544880 /nfs/dbraw/zinc/54/48/80/931544880.db2.gz URYJPVGVYPWDCF-OAHLLOKOSA-N 1 0 403.592 4.210 20 30 HIEDRO N#Cc1ccc(C[NH2+]CC2(c3cccc(Br)c3)CCOCC2)c(F)c1 ZINC000532588804 931545811 /nfs/dbraw/zinc/54/58/11/931545811.db2.gz LJQNSWWLYGDHRO-UHFFFAOYSA-N 1 0 403.295 4.298 20 30 HIEDRO COc1ccc([C@@H]([NH2+]CCOc2ccc(C#N)cc2OC)c2ccc(F)cc2)cc1 ZINC000532702450 931596739 /nfs/dbraw/zinc/59/67/39/931596739.db2.gz JDEYAAZNILNGFQ-DEOSSOPVSA-N 1 0 406.457 4.473 20 30 HIEDRO COc1cc(NC(=O)C[N@@H+](Cc2ccc(C#N)cc2)CC(C)C)c(OC)cc1Cl ZINC000532933534 931703053 /nfs/dbraw/zinc/70/30/53/931703053.db2.gz SDISZYNWTOBSGG-UHFFFAOYSA-N 1 0 415.921 4.326 20 30 HIEDRO CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)C[C@H]1C ZINC000532988273 931728203 /nfs/dbraw/zinc/72/82/03/931728203.db2.gz SPGIJNILFJURLD-DYESRHJHSA-N 1 0 413.610 4.225 20 30 HIEDRO CCOC(=O)CC1CC[NH+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)CC1 ZINC000533244797 931817800 /nfs/dbraw/zinc/81/78/00/931817800.db2.gz SEHBCIQDHYFCFJ-UHFFFAOYSA-N 1 0 422.525 4.311 20 30 HIEDRO COc1ccc([C@H]2CCCN2C(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)cc1OC ZINC000533250654 931819056 /nfs/dbraw/zinc/81/90/56/931819056.db2.gz FUGGBQYWCOTDIG-JOCHJYFZSA-N 1 0 421.541 4.150 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CCN1CCC[C@@H](C[NH+]3CCCCCC3)C1)CCC2 ZINC000533271134 931824786 /nfs/dbraw/zinc/82/47/86/931824786.db2.gz CFYZVCMOPHQQNO-SFHVURJKSA-N 1 0 414.619 4.025 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@@H+]2CC[C@@H](Cc3ccccc3)C2)c1C#N ZINC000533292843 931830588 /nfs/dbraw/zinc/83/05/88/931830588.db2.gz XXXPHPMXPQZVFZ-NRFANRHFSA-N 1 0 416.525 4.121 20 30 HIEDRO N#CCC[C@H]([NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1)c1ccccc1 ZINC000533359850 931848183 /nfs/dbraw/zinc/84/81/83/931848183.db2.gz XRZZEESPZOZLKM-QFIPXVFZSA-N 1 0 413.949 4.186 20 30 HIEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000533364959 931848915 /nfs/dbraw/zinc/84/89/15/931848915.db2.gz PCNSGZZPHUNBPK-FUHWJXTLSA-N 1 0 414.937 4.159 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[N@H+]2C[C@@H](c3ccccc3)C[C@@H]2C)c1C#N ZINC000533434995 931867988 /nfs/dbraw/zinc/86/79/88/931867988.db2.gz GPKQRYXAVXSQQH-UWJYYQICSA-N 1 0 416.525 4.434 20 30 HIEDRO CC(=O)c1ccc2c(c1)CC[N@@H+](CCC(=O)Nc1sc3c(c1C#N)CCCC3)CC2 ZINC000533763687 932018017 /nfs/dbraw/zinc/01/80/17/932018017.db2.gz PEPPDVWVVMUARI-UHFFFAOYSA-N 1 0 421.566 4.131 20 30 HIEDRO C[N@@H+]1CC[C@H](CNC(=O)CSc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534222186 932341924 /nfs/dbraw/zinc/34/19/24/932341924.db2.gz RFLOOKWBLHLXGX-IERDGZPVSA-N 1 0 417.937 4.252 20 30 HIEDRO C=CCc1cc(C[NH2+][C@H](CC)[C@H](c2ccc(C)cc2)n2cncn2)cc(OC)c1O ZINC000534450255 932465185 /nfs/dbraw/zinc/46/51/85/932465185.db2.gz GIVJFYIZBJEOHC-GGAORHGYSA-N 1 0 406.530 4.187 20 30 HIEDRO C[N@@H+]1CC[C@H](NC(=O)c2cccc(COc3cccc(C#N)c3)c2)[C@@H]1c1ccccc1 ZINC000534753514 932730326 /nfs/dbraw/zinc/73/03/26/932730326.db2.gz KWAHKNWNKBMYJC-DQEYMECFSA-N 1 0 411.505 4.312 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1)Cc1ccccc1 ZINC000535262020 933041410 /nfs/dbraw/zinc/04/14/10/933041410.db2.gz MTSQZMMJSHSEKS-FQEVSTJZSA-N 1 0 417.484 4.392 20 30 HIEDRO C=CCOc1ccc(C(=O)N(Cc2ccc(O)cc2)C[C@H]2CCC[N@H+]2CC)cc1OC ZINC000536033681 933583134 /nfs/dbraw/zinc/58/31/34/933583134.db2.gz AAAUZENLDWNQCK-OAQYLSRUSA-N 1 0 424.541 4.092 20 30 HIEDRO C=C[C@@H](CC(=O)N(C)C1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1)c1ccccc1 ZINC000536119977 933669775 /nfs/dbraw/zinc/66/97/75/933669775.db2.gz TZIIKDOHCCJFME-NRFANRHFSA-N 1 0 421.585 4.490 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1cc(C(C)(C)C)n[nH]1 ZINC000562584995 945104234 /nfs/dbraw/zinc/10/42/34/945104234.db2.gz MGMSQRRGBKMCHR-UHFFFAOYSA-N 1 0 413.591 4.370 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCOc3ccc4ccccc4c3)CC2)cc1 ZINC000562860333 945129526 /nfs/dbraw/zinc/12/95/26/945129526.db2.gz KWVWLEIHYJAVBH-UHFFFAOYSA-N 1 0 413.521 4.215 20 30 HIEDRO COc1cccc(NC2CC[NH+](Cc3ccc(OC)c(OCCCC#N)c3)CC2)c1 ZINC000537628633 938339717 /nfs/dbraw/zinc/33/97/17/938339717.db2.gz QEWICNBCAODGAC-UHFFFAOYSA-N 1 0 409.530 4.463 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH+]3CCC([C@H](O)C(F)(F)F)CC3)c2)c1 ZINC000537648893 938346430 /nfs/dbraw/zinc/34/64/30/938346430.db2.gz XRHLEEFDTDUAGA-NRFANRHFSA-N 1 0 404.432 4.272 20 30 HIEDRO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC#Cc2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC000537986732 938449977 /nfs/dbraw/zinc/44/99/77/938449977.db2.gz LOACYCPCNWOQAC-HNNXBMFYSA-N 1 0 420.431 4.081 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Br)c2ccccc12 ZINC000538027685 938470609 /nfs/dbraw/zinc/47/06/09/938470609.db2.gz QRCYWVOFKYFHBJ-UHFFFAOYSA-N 1 0 403.324 4.302 20 30 HIEDRO C[C@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000538113412 938505300 /nfs/dbraw/zinc/50/53/00/938505300.db2.gz SEGKQCIUMVNJOJ-SFHVURJKSA-N 1 0 419.550 4.326 20 30 HIEDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)NC2(C#N)CCCCC2)ccc1OC1CCCC1 ZINC000538153584 938525504 /nfs/dbraw/zinc/52/55/04/938525504.db2.gz WXRIXMURJXTFID-ROUUACIJSA-N 1 0 413.562 4.398 20 30 HIEDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)ccc1OC1CCCC1 ZINC000538155428 938526304 /nfs/dbraw/zinc/52/63/04/938526304.db2.gz MELBVTNNEDDAGU-HKARXFIJSA-N 1 0 401.551 4.110 20 30 HIEDRO COc1ccc(C[C@@H]([NH2+]CC(=O)Nc2cccc(C#N)c2)c2ccccc2)cc1OC ZINC000538159198 938528418 /nfs/dbraw/zinc/52/84/18/938528418.db2.gz SFWSYDUKHIDSPZ-JOCHJYFZSA-N 1 0 415.493 4.088 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000538191347 938546657 /nfs/dbraw/zinc/54/66/57/938546657.db2.gz SPBNQOXIUUBZJJ-BOCKYXSRSA-N 1 0 409.555 4.387 20 30 HIEDRO C=CCC[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000538231885 938566479 /nfs/dbraw/zinc/56/64/79/938566479.db2.gz YMINANAEWJFUJZ-FQEVSTJZSA-N 1 0 401.432 4.490 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(-n2cccn2)cc1 ZINC000538234926 938568659 /nfs/dbraw/zinc/56/86/59/938568659.db2.gz MEOAPICDOSETIO-ZWKOTPCHSA-N 1 0 419.554 4.413 20 30 HIEDRO C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1)c1cccc(C#N)c1 ZINC000538397820 938611180 /nfs/dbraw/zinc/61/11/80/938611180.db2.gz CFHZQODINMTQHI-QGZVFWFLSA-N 1 0 423.513 4.027 20 30 HIEDRO N#CCCn1cc(C[NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)c(-c2ccccc2)n1 ZINC000538487169 938633199 /nfs/dbraw/zinc/63/31/99/938633199.db2.gz QWJBMEPCAQXCCA-OAQYLSRUSA-N 1 0 405.933 4.486 20 30 HIEDRO CC(C)N1CC[C@H](NC(=O)COc2ccccc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC000538600927 938659040 /nfs/dbraw/zinc/65/90/40/938659040.db2.gz LSLZUSOMYLIHPJ-SIKLNZKXSA-N 1 0 415.896 4.070 20 30 HIEDRO Cn1cc(C[NH2+]Cc2ccc(OC3CCCCC3)nc2)c(-c2ccc(C#N)cc2)n1 ZINC000538695137 938685715 /nfs/dbraw/zinc/68/57/15/938685715.db2.gz GBVIXNCTRAEFPU-UHFFFAOYSA-N 1 0 401.514 4.355 20 30 HIEDRO C=CCOc1ccccc1C[N@H+]1CCCN(Cc2csc([C@H](C)OC)n2)CC1 ZINC000538812892 938719383 /nfs/dbraw/zinc/71/93/83/938719383.db2.gz NLUBNYDNJBMWFV-SFHVURJKSA-N 1 0 401.576 4.123 20 30 HIEDRO C=CCOc1ccccc1CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000538844188 938723747 /nfs/dbraw/zinc/72/37/47/938723747.db2.gz DGVSDODZDAGAMC-UHFFFAOYSA-N 1 0 408.546 4.095 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3CC[N@H+](C)[C@H](C)[C@H]3C)sc2C1 ZINC000538946100 938743843 /nfs/dbraw/zinc/74/38/43/938743843.db2.gz LWJWLTKOCOAERB-BRWVUGGUSA-N 1 0 416.635 4.124 20 30 HIEDRO CCOC(=O)COc1ccc(CC[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000539085145 938799866 /nfs/dbraw/zinc/79/98/66/938799866.db2.gz UJJIMPZEXLBGOR-UHFFFAOYSA-N 1 0 406.526 4.165 20 30 HIEDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000539119019 938805494 /nfs/dbraw/zinc/80/54/94/938805494.db2.gz FKWZVTKUGCIMCT-UHFFFAOYSA-N 1 0 412.965 4.087 20 30 HIEDRO C[C@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc2c(c1)OCO2 ZINC000539268006 938830465 /nfs/dbraw/zinc/83/04/65/938830465.db2.gz OAYXJRRLEKVXSH-AWEZNQCLSA-N 1 0 411.527 4.297 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000539276993 938831848 /nfs/dbraw/zinc/83/18/48/938831848.db2.gz QDNUBEVVECHQPX-UAVUOLJFSA-N 1 0 424.520 4.172 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000539276990 938831912 /nfs/dbraw/zinc/83/19/12/938831912.db2.gz QDNUBEVVECHQPX-KCYKTTMJSA-N 1 0 424.520 4.172 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)NCc1ccc(C#N)cc1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000539300636 938836816 /nfs/dbraw/zinc/83/68/16/938836816.db2.gz LCCXLZKEVIPTBG-GOSISDBHSA-N 1 0 417.484 4.243 20 30 HIEDRO N#Cc1ccccc1Oc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000539317750 938840404 /nfs/dbraw/zinc/84/04/04/938840404.db2.gz ZAXWUTIMTYPTDX-KRWDZBQOSA-N 1 0 408.477 4.439 20 30 HIEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@H](c1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000539333183 938843300 /nfs/dbraw/zinc/84/33/00/938843300.db2.gz TZFUDTGVOQZIEH-ILBGXUMGSA-N 1 0 400.526 4.093 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)c1 ZINC000539334436 938843576 /nfs/dbraw/zinc/84/35/76/938843576.db2.gz WTWXSBZINNSRGE-ZJSXRUAMSA-N 1 0 405.542 4.308 20 30 HIEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+][C@H](c1ccc(Cl)c(C(F)(F)F)c1)C1CC1 ZINC000539425701 938858963 /nfs/dbraw/zinc/85/89/63/938858963.db2.gz XRYHICJCXICFEC-ZWKOTPCHSA-N 1 0 401.860 4.454 20 30 HIEDRO Cc1ccc(C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)c(OC[C@@H]2CCOC2)c1 ZINC000539496176 938868578 /nfs/dbraw/zinc/86/85/78/938868578.db2.gz LJZWXVWIAVWCMQ-HSZRJFAPSA-N 1 0 419.569 4.036 20 30 HIEDRO COc1ccc(C[C@H](C)C[NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000539508194 938870427 /nfs/dbraw/zinc/87/04/27/938870427.db2.gz UWACEPLQAYYPEG-IBGZPJMESA-N 1 0 407.558 4.008 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000539623859 938889619 /nfs/dbraw/zinc/88/96/19/938889619.db2.gz UGBHBEOIZSBTSD-UHFFFAOYSA-N 1 0 415.459 4.465 20 30 HIEDRO C=CCOc1c(Br)cc(CN(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1OC ZINC000539818818 938942187 /nfs/dbraw/zinc/94/21/87/938942187.db2.gz NVWHFSVGTSTAMM-RDJZCZTQSA-N 1 0 411.384 4.327 20 30 HIEDRO COc1ccc([C@H](CO)[N@H+](C)Cc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000539827751 938949194 /nfs/dbraw/zinc/94/91/94/938949194.db2.gz XRMAPBWIFCXYOA-VWLOTQADSA-N 1 0 402.494 4.311 20 30 HIEDRO Cc1c([C@H](C)[NH2+]C2CCC(Oc3ccccc3C#N)CC2)nnn1-c1ccccc1 ZINC000540179886 939107906 /nfs/dbraw/zinc/10/79/06/939107906.db2.gz JBRJZGUIKMFDGA-RYHLMMNBSA-N 1 0 401.514 4.488 20 30 HIEDRO C[C@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(OCc2cccnc2)cc1 ZINC000540323131 939194195 /nfs/dbraw/zinc/19/41/95/939194195.db2.gz CPMXCEGHDRRBEZ-INIZCTEOSA-N 1 0 420.900 4.475 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccc(OCc2cccnc2)cc1 ZINC000540323132 939194282 /nfs/dbraw/zinc/19/42/82/939194282.db2.gz CPMXCEGHDRRBEZ-MRXNPFEDSA-N 1 0 420.900 4.475 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1cccc(OCc2ccccn2)c1 ZINC000540352590 939204465 /nfs/dbraw/zinc/20/44/65/939204465.db2.gz QFTMQHYPUFPKMR-MRXNPFEDSA-N 1 0 420.900 4.475 20 30 HIEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](CCc2ccccc2)c2ccccc2)c1 ZINC000540380575 939220224 /nfs/dbraw/zinc/22/02/24/939220224.db2.gz PCDOCPNHAIQAOL-XMMPIXPASA-N 1 0 404.535 4.296 20 30 HIEDRO CN1C(=O)C[C@H]([NH2+]C2CCC(C#N)(c3ccccc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000540628445 939323547 /nfs/dbraw/zinc/32/35/47/939323547.db2.gz PSDGKJNUHZQNEW-CHBAFRQASA-N 1 0 409.480 4.230 20 30 HIEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(Oc3ccc(Cl)cc3)c2)c1C#N ZINC000540897497 939413771 /nfs/dbraw/zinc/41/37/71/939413771.db2.gz CLMCRSBHQQEMIR-UHFFFAOYSA-N 1 0 409.877 4.131 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccccc3I)CC2)cc1 ZINC000540982718 939424933 /nfs/dbraw/zinc/42/49/33/939424933.db2.gz HXGSIXAQVYLNHC-UHFFFAOYSA-N 1 0 417.294 4.239 20 30 HIEDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1 ZINC000541027751 939435266 /nfs/dbraw/zinc/43/52/66/939435266.db2.gz KUJQOBCYDZTBEI-AAXCNWCCSA-N 1 0 407.562 4.151 20 30 HIEDRO COc1ccccc1COC[C@H](O)C[NH2+][C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541086479 939455190 /nfs/dbraw/zinc/45/51/90/939455190.db2.gz DZRAFVMUWOLYAZ-KBMIEXCESA-N 1 0 416.521 4.462 20 30 HIEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCCCC[NH+]2CCCCC2)n1 ZINC000541099180 939459678 /nfs/dbraw/zinc/45/96/78/939459678.db2.gz BQZXZLIRWZCFRR-UHFFFAOYSA-N 1 0 414.941 4.175 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1 ZINC000541555338 939554112 /nfs/dbraw/zinc/55/41/12/939554112.db2.gz YGBYYASFQQFDNI-OAQYLSRUSA-N 1 0 406.526 4.155 20 30 HIEDRO C[N@H+](CC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000541700969 939608729 /nfs/dbraw/zinc/60/87/29/939608729.db2.gz BACRHHMWTZXVKQ-ICSRJNTNSA-N 1 0 401.869 4.141 20 30 HIEDRO C[C@@H](C[N@H+](C)CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1nccs1 ZINC000542309301 939794307 /nfs/dbraw/zinc/79/43/07/939794307.db2.gz NCSXAXNHKZUWGT-AWEZNQCLSA-N 1 0 402.589 4.409 20 30 HIEDRO C[C@H]([NH2+]Cc1cnc(N2CCOCC2)s1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542924295 939878554 /nfs/dbraw/zinc/87/85/54/939878554.db2.gz LXMQJUDGWLXFEH-KRWDZBQOSA-N 1 0 404.539 4.369 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934047 939881259 /nfs/dbraw/zinc/88/12/59/939881259.db2.gz GVAKHDGJDZHAAP-YWZLYKJASA-N 1 0 401.432 4.429 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000563756894 945285991 /nfs/dbraw/zinc/28/59/91/945285991.db2.gz YMINAFSRLLJYEY-SFHVURJKSA-N 1 0 410.949 4.137 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000543459548 940069292 /nfs/dbraw/zinc/06/92/92/940069292.db2.gz VYNCXFWGTRKMER-FKBYEOEOSA-N 1 0 410.606 4.181 20 30 HIEDRO N#Cc1cc(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)ccc1Cl ZINC000543465986 940072846 /nfs/dbraw/zinc/07/28/46/940072846.db2.gz OCXRURJIMGSNES-UHFFFAOYSA-N 1 0 410.905 4.278 20 30 HIEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N ZINC000543516815 940092798 /nfs/dbraw/zinc/09/27/98/940092798.db2.gz BZWKJMCAMSKJNC-AWEZNQCLSA-N 1 0 415.950 4.078 20 30 HIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1COc2ccccc21 ZINC000543555626 940106663 /nfs/dbraw/zinc/10/66/63/940106663.db2.gz VMPIWVYCAUOLNN-DNVCBOLYSA-N 1 0 409.555 4.372 20 30 HIEDRO C[C@@H]1C[C@@H]([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CCN1Cc1ccccc1 ZINC000543768274 940180107 /nfs/dbraw/zinc/18/01/07/940180107.db2.gz JDYNCWNRDNCLRN-IHOQQJHYSA-N 1 0 404.558 4.286 20 30 HIEDRO CC[N@H+](Cc1ccc(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)cc1)C(C)C ZINC000543859671 940213041 /nfs/dbraw/zinc/21/30/41/940213041.db2.gz RBWMCKPVDYLBJJ-UHFFFAOYSA-N 1 0 405.477 4.366 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 ZINC000543889383 940228221 /nfs/dbraw/zinc/22/82/21/940228221.db2.gz VDHBZSPJPBESJE-INIZCTEOSA-N 1 0 414.941 4.173 20 30 HIEDRO C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000563816892 945305909 /nfs/dbraw/zinc/30/59/09/945305909.db2.gz WCRPJDCMUASFLJ-VQIMIIECSA-N 1 0 409.408 4.246 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1C ZINC000544335351 940393590 /nfs/dbraw/zinc/39/35/90/940393590.db2.gz RCHLLRLUCJVCRF-HXUWFJFHSA-N 1 0 407.562 4.075 20 30 HIEDRO C[C@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544425118 940423938 /nfs/dbraw/zinc/42/39/38/940423938.db2.gz OLBUTHPDGLFMLO-IRXDYDNUSA-N 1 0 414.619 4.070 20 30 HIEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)c1ccc(Cl)s1 ZINC000544448401 940435171 /nfs/dbraw/zinc/43/51/71/940435171.db2.gz HNTQWKXMKLLVJD-MRXNPFEDSA-N 1 0 422.982 4.407 20 30 HIEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000544460121 940440345 /nfs/dbraw/zinc/44/03/45/940440345.db2.gz ZCDLQNSOOKRJMQ-HUUCEWRRSA-N 1 0 410.461 4.133 20 30 HIEDRO Cc1[nH]c(=O)c(C#N)c(C)c1CCc1nc(-c2ccccc2C[NH+]2CCCCC2)no1 ZINC000545704718 940581609 /nfs/dbraw/zinc/58/16/09/940581609.db2.gz DVACSKWVMKPTKF-UHFFFAOYSA-N 1 0 417.513 4.097 20 30 HIEDRO N#Cc1cccc(N2CC[NH+](CCSc3ccnc4cc(Cl)ccc43)CC2)n1 ZINC000546214371 940731203 /nfs/dbraw/zinc/73/12/03/940731203.db2.gz OUIWILXVMSQIGF-UHFFFAOYSA-N 1 0 409.946 4.069 20 30 HIEDRO C=CCNC(=O)c1cccc(-c2noc(C3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000546361540 940801837 /nfs/dbraw/zinc/80/18/37/940801837.db2.gz SPYCUHKTKQFNLQ-UHFFFAOYSA-N 1 0 402.498 4.032 20 30 HIEDRO CC1=CC[N@H+](CCNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)CC1 ZINC000546570920 940855519 /nfs/dbraw/zinc/85/55/19/940855519.db2.gz CPTWLIGRXABLPN-UHFFFAOYSA-N 1 0 404.514 4.105 20 30 HIEDRO Cn1ccc([C@@H](NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)c2ccc(Cl)cc2)n1 ZINC000546575252 940856133 /nfs/dbraw/zinc/85/61/33/940856133.db2.gz KDWFURMTBVFING-DEOSSOPVSA-N 1 0 419.960 4.289 20 30 HIEDRO COc1cc(C#N)ccc1NC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000546708201 940871534 /nfs/dbraw/zinc/87/15/34/940871534.db2.gz XIDXIRRHCLIZTI-YWZLYKJASA-N 1 0 416.884 4.174 20 30 HIEDRO CCOc1cc2[nH+]ccc(N3CCC(C#N)(c4ccccn4)CC3)c2cc1OCC ZINC000548759691 941123049 /nfs/dbraw/zinc/12/30/49/941123049.db2.gz ZIKNWZYDTBSXGI-UHFFFAOYSA-N 1 0 402.498 4.489 20 30 HIEDRO N#CC1(c2ccccn2)CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000548865215 941127145 /nfs/dbraw/zinc/12/71/45/941127145.db2.gz ODFFRMVYNPZKCT-FQEVSTJZSA-N 1 0 410.521 4.108 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1)C(=O)Nc1ccccc1C#N ZINC000548932109 941130615 /nfs/dbraw/zinc/13/06/15/941130615.db2.gz QTXCSJUOTSTZDO-UGIARPQZSA-N 1 0 424.548 4.143 20 30 HIEDRO Cc1cc(Cl)c2ncc(C#N)c(NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)c2c1 ZINC000548987755 941139209 /nfs/dbraw/zinc/13/92/09/941139209.db2.gz UUWXFXUCVMSXRY-IBGZPJMESA-N 1 0 406.917 4.247 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(C#N)cc1 ZINC000549174123 941168494 /nfs/dbraw/zinc/16/84/94/941168494.db2.gz NLQYXNDGKAKJRD-OAHLLOKOSA-N 1 0 404.495 4.161 20 30 HIEDRO COc1ccccc1CC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000549189016 941169773 /nfs/dbraw/zinc/16/97/73/941169773.db2.gz ZTSDHMNKKPVKHI-UHFFFAOYSA-N 1 0 423.582 4.400 20 30 HIEDRO C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000549252279 941174306 /nfs/dbraw/zinc/17/43/06/941174306.db2.gz CHGWSLYBBVGWBC-UHFFFAOYSA-N 1 0 404.562 4.198 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccccc1Cl ZINC000549549679 941199044 /nfs/dbraw/zinc/19/90/44/941199044.db2.gz FPBKEBBNCXOBKN-KRWDZBQOSA-N 1 0 424.854 4.438 20 30 HIEDRO C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000549637483 941202353 /nfs/dbraw/zinc/20/23/53/941202353.db2.gz AHAJSUOVHWFMRF-OAQYLSRUSA-N 1 0 409.578 4.060 20 30 HIEDRO C=C(C)Cn1c(-c2cccc3cccnc32)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000549639520 941202443 /nfs/dbraw/zinc/20/24/43/941202443.db2.gz MFRUNGYNJAQZDC-UHFFFAOYSA-N 1 0 402.546 4.134 20 30 HIEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000549684610 941204403 /nfs/dbraw/zinc/20/44/03/941204403.db2.gz ZZDDUJKODDLWSC-GGAORHGYSA-N 1 0 421.589 4.024 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000549685415 941204453 /nfs/dbraw/zinc/20/44/53/941204453.db2.gz KKCZBSWBRIOFAJ-RBUKOAKNSA-N 1 0 415.557 4.301 20 30 HIEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000549689878 941204670 /nfs/dbraw/zinc/20/46/70/941204670.db2.gz ARBDQKSZPRTPCQ-UHFFFAOYSA-N 1 0 416.573 4.265 20 30 HIEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549691036 941204681 /nfs/dbraw/zinc/20/46/81/941204681.db2.gz SHEAYVWEDLGGPU-JOCHJYFZSA-N 1 0 416.573 4.183 20 30 HIEDRO CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)s1 ZINC000552089740 941583041 /nfs/dbraw/zinc/58/30/41/941583041.db2.gz UJGIYPMKRKYGSM-QTHWCUKHSA-N 1 0 411.575 4.057 20 30 HIEDRO N#Cc1ccccc1Oc1ccccc1C(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000552200042 941601229 /nfs/dbraw/zinc/60/12/29/941601229.db2.gz SFUURTBESGXAAQ-OAQYLSRUSA-N 1 0 413.477 4.169 20 30 HIEDRO COc1ccccc1[C@H](C[NH2+]C1CCN(c2ccc(C#N)cc2)CC1)N1CCCCC1 ZINC000552234901 941610154 /nfs/dbraw/zinc/61/01/54/941610154.db2.gz ZDADXKIHFZYMAA-VWLOTQADSA-N 1 0 418.585 4.352 20 30 HIEDRO C[C@@H]1C[N@@H+](Cc2cccc(NC3CCN(c4ccc(C#N)cc4)CC3)c2)C[C@H](C)O1 ZINC000552290070 941623565 /nfs/dbraw/zinc/62/35/65/941623565.db2.gz XENVQUFRTCFKSE-BGYRXZFFSA-N 1 0 404.558 4.248 20 30 HIEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[NH+](C)C ZINC000552484418 941685218 /nfs/dbraw/zinc/68/52/18/941685218.db2.gz FKIKXRLGSPSWOC-KOSHJBKYSA-N 1 0 422.548 4.030 20 30 HIEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[NH+](C)C ZINC000552484419 941685412 /nfs/dbraw/zinc/68/54/12/941685412.db2.gz FKIKXRLGSPSWOC-MHECFPHRSA-N 1 0 422.548 4.030 20 30 HIEDRO CCOc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1OC ZINC000553242230 941855527 /nfs/dbraw/zinc/85/55/27/941855527.db2.gz ONAIRFYSPCUJNK-INIZCTEOSA-N 1 0 415.921 4.345 20 30 HIEDRO C[C@H]([NH2+]C1(CNc2nc3cc(Cl)ccn3c2C#N)CCOCC1)c1ccccc1 ZINC000553392315 941878215 /nfs/dbraw/zinc/87/82/15/941878215.db2.gz URUBELHEGCWLOW-INIZCTEOSA-N 1 0 409.921 4.171 20 30 HIEDRO C[C@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC[N@@H+](C2CCC2)C1 ZINC000553518488 941901320 /nfs/dbraw/zinc/90/13/20/941901320.db2.gz FKDMGNDICNMNTJ-LJQANCHMSA-N 1 0 403.526 4.084 20 30 HIEDRO CC(C)N(CC[NH+]1CCCCCC1)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000554098260 942035366 /nfs/dbraw/zinc/03/53/66/942035366.db2.gz VEPBMVRDKQLFHN-UHFFFAOYSA-N 1 0 414.569 4.027 20 30 HIEDRO C=CCOc1ccc(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)cc1 ZINC000554182726 942060274 /nfs/dbraw/zinc/06/02/74/942060274.db2.gz SWQWSBBHDGMURW-UHFFFAOYSA-N 1 0 411.571 4.164 20 30 HIEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@@H](C)c2ccc(C#N)cc2)c1C#N ZINC000554840965 942277620 /nfs/dbraw/zinc/27/76/20/942277620.db2.gz KRAPIFVGZXMLSC-INIZCTEOSA-N 1 0 415.472 4.266 20 30 HIEDRO CCN1CC[C@H]([NH2+]CCOc2ccc(C#N)cc2OC)[C@H]1c1ccc(Cl)c(F)c1 ZINC000555132204 942396633 /nfs/dbraw/zinc/39/66/33/942396633.db2.gz HAGSKALNMMHYDU-SIKLNZKXSA-N 1 0 417.912 4.163 20 30 HIEDRO C=C(C)[C@@H](CC(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1)OCC ZINC000555161412 942411225 /nfs/dbraw/zinc/41/12/25/942411225.db2.gz HBUQKYGAZUITSY-HXUWFJFHSA-N 1 0 423.395 4.243 20 30 HIEDRO N#Cc1ccc(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)c(F)c1 ZINC000555546679 942637027 /nfs/dbraw/zinc/63/70/27/942637027.db2.gz BWNHEQRQIHDSHI-UHFFFAOYSA-N 1 0 421.285 4.480 20 30 HIEDRO COc1cc(C[NH2+][C@@H](C(C)C)C2(CO)CCC2)ccc1OCc1cccc(C#N)c1 ZINC000555729462 942714967 /nfs/dbraw/zinc/71/49/67/942714967.db2.gz WAQIJOYUXJGYJS-DEOSSOPVSA-N 1 0 408.542 4.423 20 30 HIEDRO Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](CCCC#N)c3ccccc3)CC2)cc1 ZINC000556197759 942817867 /nfs/dbraw/zinc/81/78/67/942817867.db2.gz MLJAGLLMSUABQD-HSZRJFAPSA-N 1 0 411.571 4.173 20 30 HIEDRO Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000556341310 942845930 /nfs/dbraw/zinc/84/59/30/942845930.db2.gz NXCWWMQULNGNKM-FQEVSTJZSA-N 1 0 421.928 4.126 20 30 HIEDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]Cc3cnc4ccc(C#N)cn34)s2)cc1 ZINC000556582870 942906397 /nfs/dbraw/zinc/90/63/97/942906397.db2.gz AYOQZVKBTLZLSX-CQSZACIVSA-N 1 0 403.511 4.497 20 30 HIEDRO COc1cccc([C@H]2[C@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)CCN2C2CC2)c1 ZINC000556891480 942954272 /nfs/dbraw/zinc/95/42/72/942954272.db2.gz ZOLSJGYEXLIKOD-FTJBHMTQSA-N 1 0 416.569 4.103 20 30 HIEDRO CCC[N@H+](C)[C@H](CNC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccc(Cl)cc1 ZINC000556927030 942969329 /nfs/dbraw/zinc/96/93/29/942969329.db2.gz KURPGNNEJZPALT-QGZVFWFLSA-N 1 0 424.854 4.438 20 30 HIEDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(C#N)ccc2Cl)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556954530 942978506 /nfs/dbraw/zinc/97/85/06/942978506.db2.gz BEKJQVINVXSMDD-KUHUBIRLSA-N 1 0 406.288 4.427 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(-n3nccc3C(F)(F)F)cc2)CC1 ZINC000557272678 943063785 /nfs/dbraw/zinc/06/37/85/943063785.db2.gz DAVWEYSGMYLQAA-UHFFFAOYSA-N 1 0 407.440 4.053 20 30 HIEDRO C[C@@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000557268029 943063890 /nfs/dbraw/zinc/06/38/90/943063890.db2.gz LMWFBAWYZWRFBO-VNCLNFNDSA-N 1 0 416.518 4.142 20 30 HIEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccco1 ZINC000557910237 943326626 /nfs/dbraw/zinc/32/66/26/943326626.db2.gz QVBIKOAQLRGLQW-LPHOPBHVSA-N 1 0 407.470 4.182 20 30 HIEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)CN2CCC[C@H]2c2cccnc2)c1C#N ZINC000558102871 943379057 /nfs/dbraw/zinc/37/90/57/943379057.db2.gz GZWYSQMTIYMSIP-QFIPXVFZSA-N 1 0 417.488 4.276 20 30 HIEDRO N#Cc1ccc(N2CC[C@H]([NH+]3CCC(c4c[nH]c5ccc(F)cc54)CC3)C2=O)cc1 ZINC000558175029 943410883 /nfs/dbraw/zinc/41/08/83/943410883.db2.gz FYMWXSRXCFBDJS-QHCPKHFHSA-N 1 0 402.473 4.164 20 30 HIEDRO C[NH+](C)CCN(Cc1cn(CCC#N)nc1-c1ccccc1)Cc1ccc(F)c(F)c1 ZINC000558419481 943554575 /nfs/dbraw/zinc/55/45/75/943554575.db2.gz PFNSQTRYTKSAFD-UHFFFAOYSA-N 1 0 423.511 4.306 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3CC4(CCC4)[C@H]3[C@H]3CCCO3)sc2C1 ZINC000558476058 943569335 /nfs/dbraw/zinc/56/93/35/943569335.db2.gz JHGPETGRMIYNJU-FQELHTAISA-N 1 0 413.587 4.107 20 30 HIEDRO CN(C)c1noc([C@@H]2CCC[N@H+](CCC(C#N)(c3ccccc3)c3ccccc3)C2)n1 ZINC000558742963 943637400 /nfs/dbraw/zinc/63/74/00/943637400.db2.gz QQCZWXQCOYKIKS-HXUWFJFHSA-N 1 0 415.541 4.215 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000558982769 943785834 /nfs/dbraw/zinc/78/58/34/943785834.db2.gz ZJUFHGRTRGXGCA-LJQANCHMSA-N 1 0 415.969 4.151 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000559004131 943800037 /nfs/dbraw/zinc/80/00/37/943800037.db2.gz KVQLJBRLAQEHNA-RTBURBONSA-N 1 0 413.541 4.198 20 30 HIEDRO C=CCC[C@@H](NC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccccc1 ZINC000559486509 943979005 /nfs/dbraw/zinc/97/90/05/943979005.db2.gz IDVHBLFMBIENGV-XMMPIXPASA-N 1 0 419.569 4.112 20 30 HIEDRO C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C(C)(C)c3cc(F)cc(C#N)c3)cc2)C1 ZINC000560551959 944250986 /nfs/dbraw/zinc/25/09/86/944250986.db2.gz UGSOYSPEVMYKRL-KRWDZBQOSA-N 1 0 409.505 4.334 20 30 HIEDRO N#Cc1cc(F)cc(C2(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4Cc4ccccc4)C3)CC2)c1 ZINC000560579326 944261114 /nfs/dbraw/zinc/26/11/14/944261114.db2.gz GHYNVJDSOMCXBI-URXFXBBRSA-N 1 0 417.528 4.242 20 30 HIEDRO CCn1c2ccc(C#N)cc2nc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000560617761 944275819 /nfs/dbraw/zinc/27/58/19/944275819.db2.gz PWFQUROCIXKRKZ-GOSISDBHSA-N 1 0 423.467 4.024 20 30 HIEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(Oc3ccc(F)cc3)cc2)cc1 ZINC000560729278 944313617 /nfs/dbraw/zinc/31/36/17/944313617.db2.gz SQDQOEQAQYYQIF-NRFANRHFSA-N 1 0 406.457 4.214 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)N2CCC(CC[N@@H+](CC)CC(C)C)CC2)cc1 ZINC000560976883 944382850 /nfs/dbraw/zinc/38/28/50/944382850.db2.gz XCZHQDCZAAVMFX-UHFFFAOYSA-N 1 0 414.594 4.214 20 30 HIEDRO C[C@H](Nc1cccc(CC[N@H+](C)C2CC2)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000561060233 944421096 /nfs/dbraw/zinc/42/10/96/944421096.db2.gz KSQAENDRQHMQNY-SFHVURJKSA-N 1 0 408.521 4.210 20 30 HIEDRO N#Cc1cccc(C(=O)N(Cc2ccncc2)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1 ZINC000561077480 944432514 /nfs/dbraw/zinc/43/25/14/944432514.db2.gz WOCKJKVOOYGHOH-VWLOTQADSA-N 1 0 410.521 4.260 20 30 HIEDRO C=CCC[C@H]([NH2+]CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)c1ccccc1 ZINC000561160574 944489418 /nfs/dbraw/zinc/48/94/18/944489418.db2.gz JOUKHVVUNXDMSC-DEOSSOPVSA-N 1 0 402.542 4.402 20 30 HIEDRO C[C@H]([NH2+]C[C@H](O)COc1ccc(CC#N)cc1)[C@@H](C)c1ccccc1C(F)(F)F ZINC000561957642 944875240 /nfs/dbraw/zinc/87/52/40/944875240.db2.gz UPWHJPBUAVWRFT-RYRKJORJSA-N 1 0 406.448 4.293 20 30 HIEDRO C=CCOc1ccc(C[NH2+]CC(=O)Nc2ccc(Br)c(C)c2)cc1OC ZINC000562081948 944927777 /nfs/dbraw/zinc/92/77/77/944927777.db2.gz UEBYAWKTTCGJCA-UHFFFAOYSA-N 1 0 419.319 4.059 20 30 HIEDRO COc1ccc(C[C@@H]2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)cc1 ZINC000562243305 945039308 /nfs/dbraw/zinc/03/93/08/945039308.db2.gz PVOOMTMXEFVNPE-SFHVURJKSA-N 1 0 423.582 4.400 20 30 HIEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000564284672 945496923 /nfs/dbraw/zinc/49/69/23/945496923.db2.gz JOVZKMCNUHNDPX-HJNYFJLDSA-N 1 0 418.459 4.437 20 30 HIEDRO CC(C)(C)c1ccc(S(=O)(=O)CC[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)cc1 ZINC000564416113 945569006 /nfs/dbraw/zinc/56/90/06/945569006.db2.gz YCOUCXYMGGFYEQ-UHFFFAOYSA-N 1 0 424.488 4.438 20 30 HIEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000564603272 945700162 /nfs/dbraw/zinc/70/01/62/945700162.db2.gz HUAFQMJMMPFSAH-JOCHJYFZSA-N 1 0 405.542 4.134 20 30 HIEDRO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000565430325 945828091 /nfs/dbraw/zinc/82/80/91/945828091.db2.gz BVKMCOYCXTWKOM-UHFFFAOYSA-N 1 0 419.520 4.289 20 30 HIEDRO C[C@@H]1C[C@H](N(C)C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000565612732 945854488 /nfs/dbraw/zinc/85/44/88/945854488.db2.gz NNBAZTLBUVDBAI-DNVCBOLYSA-N 1 0 416.447 4.097 20 30 HIEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000566374210 946012994 /nfs/dbraw/zinc/01/29/94/946012994.db2.gz UMUBVEZORNRPAI-BLKABHOGSA-N 1 0 409.578 4.051 20 30 HIEDRO O=C(CCC(F)(F)F)N1CCC[C@@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000567424150 946334189 /nfs/dbraw/zinc/33/41/89/946334189.db2.gz SWKDTMKSNJRSRM-CQSZACIVSA-N 1 0 400.338 4.268 20 30 HIEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccc(-c2ccc(F)cc2)cc1 ZINC000567575303 946378819 /nfs/dbraw/zinc/37/88/19/946378819.db2.gz AALXTTLTNOPQMR-QGZVFWFLSA-N 1 0 408.498 4.489 20 30 HIEDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)COc1ccc(CC#N)cc1 ZINC000569968985 947056149 /nfs/dbraw/zinc/05/61/49/947056149.db2.gz PDTTUOWXFUKYOV-JTHBVZDNSA-N 1 0 406.551 4.436 20 30 HIEDRO CC[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)c1ccccc1OCC(=O)N(C)C ZINC000570704472 947330946 /nfs/dbraw/zinc/33/09/46/947330946.db2.gz DHQDVDQORXHVSA-IBGZPJMESA-N 1 0 419.447 4.285 20 30 HIEDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](Cc2ccc(C#N)cc2C(F)(F)F)C1 ZINC000570865275 947374982 /nfs/dbraw/zinc/37/49/82/947374982.db2.gz YJQUCENUFFWTHH-HNNXBMFYSA-N 1 0 421.385 4.200 20 30 HIEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000571898910 947808184 /nfs/dbraw/zinc/80/81/84/947808184.db2.gz UPYKEMRPOSXSCP-JOCHJYFZSA-N 1 0 402.546 4.017 20 30 HIEDRO COc1cccc([C@H](C[NH2+]C[C@@H](C#N)CCC#N)c2c[nH]c3ccccc32)c1OC ZINC000571945722 947818845 /nfs/dbraw/zinc/81/88/45/947818845.db2.gz QASCLVPSGQLBNG-XLIONFOSSA-N 1 0 402.498 4.350 20 30 HIEDRO C=C(C)Cn1c(N2CC[C@@H]([NH+]3CCCCC3)C2)nnc1C(F)(F)Oc1ccccc1 ZINC000572100973 947845433 /nfs/dbraw/zinc/84/54/33/947845433.db2.gz AHYSDNFAOFXGQE-GOSISDBHSA-N 1 0 417.504 4.047 20 30 HIEDRO CCCc1c(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cnn1-c1cccc(C#N)c1 ZINC000572445312 947909760 /nfs/dbraw/zinc/90/97/60/947909760.db2.gz VYLMEPNMGBMGSV-UHFFFAOYSA-N 1 0 408.550 4.035 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000572629025 947962146 /nfs/dbraw/zinc/96/21/46/947962146.db2.gz BCPIWZNXVLYWJB-QAPCUYQASA-N 1 0 417.962 4.386 20 30 HIEDRO C[C@@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000572629026 947962395 /nfs/dbraw/zinc/96/23/95/947962395.db2.gz BCPIWZNXVLYWJB-YJBOKZPZSA-N 1 0 417.962 4.386 20 30 HIEDRO C=C(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000572902524 948033739 /nfs/dbraw/zinc/03/37/39/948033739.db2.gz GQAIWKVYSCVYTH-UHFFFAOYSA-N 1 0 409.578 4.196 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[N@H+]2CCC[C@](O)(C(F)(F)F)CC2)c1 ZINC000573140641 948086582 /nfs/dbraw/zinc/08/65/82/948086582.db2.gz YRCLJOLKXYNVRB-OAQYLSRUSA-N 1 0 404.432 4.417 20 30 HIEDRO CN1CC[C@H]([NH2+]Cc2ccc(C#N)cc2OC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573142565 948087210 /nfs/dbraw/zinc/08/72/10/948087210.db2.gz ARYBCZSLWITYCQ-PKOBYXMFSA-N 1 0 409.839 4.487 20 30 HIEDRO N#CC1(NC(=O)CCSc2cccc(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000573162753 948096575 /nfs/dbraw/zinc/09/65/75/948096575.db2.gz QKJLUBKORHAPBZ-UHFFFAOYSA-N 1 0 413.974 4.497 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000573253451 948123890 /nfs/dbraw/zinc/12/38/90/948123890.db2.gz OCGANIUPFLUGQB-VGOFRKELSA-N 1 0 411.571 4.369 20 30 HIEDRO C=CC[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000573617315 948252287 /nfs/dbraw/zinc/25/22/87/948252287.db2.gz YHPDEPSYFMVJPP-HNNXBMFYSA-N 1 0 412.419 4.302 20 30 HIEDRO Cc1cc(C#N)cnc1C(=O)N[C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000574386813 948429769 /nfs/dbraw/zinc/42/97/69/948429769.db2.gz GWRQJQXBQFBJIT-UXGKSEPASA-N 1 0 408.933 4.259 20 30 HIEDRO CC[NH+](CC)CCOc1ccc(-c2noc(-c3cccc(CC#N)c3)n2)cc1OC ZINC000574801525 948531808 /nfs/dbraw/zinc/53/18/08/948531808.db2.gz IFXMBIXKOUBLDE-UHFFFAOYSA-N 1 0 406.486 4.199 20 30 HIEDRO N#Cc1cnc2c(F)c(F)c(F)cc2c1N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000575089832 948589729 /nfs/dbraw/zinc/58/97/29/948589729.db2.gz OVWULYFDBUTDDQ-FUHWJXTLSA-N 1 0 422.454 4.482 20 30 HIEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164619223 719044089 /nfs/dbraw/zinc/04/40/89/719044089.db2.gz CBJCHAAEJBXANV-QFBILLFUSA-N 1 0 423.294 4.388 20 30 HIEDRO N#Cc1cc(C(F)(F)N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC001164627780 719079411 /nfs/dbraw/zinc/07/94/11/719079411.db2.gz QRDBBRAFOLNEFY-APWZRJJASA-N 1 0 402.876 4.252 20 30 HIEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC001164628527 719080908 /nfs/dbraw/zinc/08/09/08/719080908.db2.gz SGSKYSGJJFCYMS-QFBILLFUSA-N 1 0 402.876 4.252 20 30 HIEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ncc3c(c1C#N)CCCC3)CC2 ZINC001164842340 720728134 /nfs/dbraw/zinc/72/81/34/720728134.db2.gz YNESEPVQFOQPKN-JOCHJYFZSA-N 1 0 416.569 4.092 20 30 HIEDRO Cc1oc(C#N)cc1C(=O)Nc1ccc(C[NH+]2CCN(c3cccc(C)c3)CC2)cc1 ZINC000436078946 861358361 /nfs/dbraw/zinc/35/83/61/861358361.db2.gz ZUCCXQTUUWMGQB-UHFFFAOYSA-N 1 0 414.509 4.343 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccc(C)cc2)[n+]2ccc(N(C)C)cc2)c(C)n1C ZINC000010173203 845627158 /nfs/dbraw/zinc/62/71/58/845627158.db2.gz OMHIDEJRVCRBMQ-UHFFFAOYSA-O 1 0 421.590 4.355 20 30 HIEDRO CCOc1ccc(C(=O)N2CCC(/[NH+]=C/c3ccc(N(CC)CC)cc3O)CC2)cc1 ZINC000017701356 846264762 /nfs/dbraw/zinc/26/47/62/846264762.db2.gz HELXSFDMVJFPOC-NLRVBDNBSA-N 1 0 423.557 4.361 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN([C@@H](C(=O)Nc3ccccc3)c3ccccc3)CC2)cc1 ZINC000021406626 846438725 /nfs/dbraw/zinc/43/87/25/846438725.db2.gz GOCNAQMLQPYALU-AREMUKBSSA-N 1 0 424.548 4.446 20 30 HIEDRO CCc1ccccc1NC(=S)C(C(=O)c1ccc(C)s1)[n+]1cccc(CO)c1 ZINC000022732055 846611739 /nfs/dbraw/zinc/61/17/39/846611739.db2.gz RGXULIAUQMNSRL-UHFFFAOYSA-O 1 0 411.572 4.450 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2ccc(Cl)c(Cl)c2)C(=S)NCCOC)cc1 ZINC000022792719 846621896 /nfs/dbraw/zinc/62/18/96/846621896.db2.gz NKZPBWSKPONVTB-UHFFFAOYSA-O 1 0 412.362 4.018 20 30 HIEDRO CCC(CC)c1cc[n+](C(C(=O)c2cc(F)ccc2F)C(=S)NCCOC)cc1 ZINC000022793407 846621946 /nfs/dbraw/zinc/62/19/46/846621946.db2.gz MGCTWOLLJQWPSP-UHFFFAOYSA-O 1 0 421.533 4.331 20 30 HIEDRO COc1ccc(Br)cc1CN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000022850552 846628799 /nfs/dbraw/zinc/62/87/99/846628799.db2.gz NNUUEZMICZXVOS-UHFFFAOYSA-N 1 0 414.347 4.037 20 30 HIEDRO C=CCSc1ccccc1NC(=O)CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000022983265 846643171 /nfs/dbraw/zinc/64/31/71/846643171.db2.gz BSGPLYJXNASFJY-UHFFFAOYSA-N 1 0 413.562 4.250 20 30 HIEDRO C=CCNC(=S)C(C(=O)c1cc(C)[nH]c1C)[n+]1ccc(Cc2ccccc2)cc1 ZINC000023580443 846722703 /nfs/dbraw/zinc/72/27/03/846722703.db2.gz GPTKDDRXHAZZNF-UHFFFAOYSA-O 1 0 404.559 4.224 20 30 HIEDRO COc1ccc(NC(=S)C(C(=O)c2cc(C)[nH]c2C)[n+]2ccc(N(C)C)cc2)cc1 ZINC000023604250 846727211 /nfs/dbraw/zinc/72/72/11/846727211.db2.gz INCBMTVIGASXSZ-UHFFFAOYSA-O 1 0 423.562 4.045 20 30 HIEDRO CCCNC(=S)C(C(=O)c1cc(C)[nH]c1C)[n+]1ccc(Cc2ccccc2)cc1 ZINC000023605049 846728321 /nfs/dbraw/zinc/72/83/21/846728321.db2.gz LTRWWWWXHCKPNU-UHFFFAOYSA-O 1 0 406.575 4.448 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000024857482 846878341 /nfs/dbraw/zinc/87/83/41/846878341.db2.gz SBTSOCRKTKHVJF-SFHVURJKSA-N 1 0 411.571 4.002 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)c1c(C)oc(-n2cccc2)c1C#N)c1cccc(OC)c1 ZINC000025860911 847047420 /nfs/dbraw/zinc/04/74/20/847047420.db2.gz DUYVPEMAYHNTOC-OAQYLSRUSA-N 1 0 420.513 4.072 20 30 HIEDRO C[N@H+](CCOc1cccc(Cl)c1)CCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000028890624 847473018 /nfs/dbraw/zinc/47/30/18/847473018.db2.gz TYCHSEICGNWQTI-UHFFFAOYSA-N 1 0 403.935 4.101 20 30 HIEDRO COc1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2ccccc2C#N)cc1Br ZINC000030509587 847724800 /nfs/dbraw/zinc/72/48/00/847724800.db2.gz PVIVCAGEJXBTKW-QWHCGFSZSA-N 1 0 402.292 4.007 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2ccccc2C#N)cc1Br ZINC000030509579 847725057 /nfs/dbraw/zinc/72/50/57/847725057.db2.gz PVIVCAGEJXBTKW-OLZOCXBDSA-N 1 0 402.292 4.007 20 30 HIEDRO CC[NH+](CC)Cc1ccc(C(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)cc1 ZINC000030558503 847736067 /nfs/dbraw/zinc/73/60/67/847736067.db2.gz RMVIXBIDKMTDSV-CALCHBBNSA-N 1 0 416.591 4.230 20 30 HIEDRO C[N@H+](CCCNC(=O)c1ccc(OCc2ccccc2C#N)cc1)Cc1ccccc1 ZINC000032048563 847982444 /nfs/dbraw/zinc/98/24/44/847982444.db2.gz VWDWAEDNSVRTIZ-UHFFFAOYSA-N 1 0 413.521 4.389 20 30 HIEDRO Cc1ccc(NC(=O)[C@H](C)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1 ZINC000042684149 848343750 /nfs/dbraw/zinc/34/37/50/848343750.db2.gz SVFAFRRMLGFTJH-SFHVURJKSA-N 1 0 410.949 4.055 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000043192737 848396794 /nfs/dbraw/zinc/39/67/94/848396794.db2.gz NWUMGBJJEOIRGU-UHFFFAOYSA-N 1 0 418.419 4.197 20 30 HIEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000043506053 848432848 /nfs/dbraw/zinc/43/28/48/848432848.db2.gz PHGLLHUNKUCRDU-LJQANCHMSA-N 1 0 413.521 4.371 20 30 HIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000045803649 848732165 /nfs/dbraw/zinc/73/21/65/848732165.db2.gz CKWXJDVIJCXHCC-UHFFFAOYSA-N 1 0 407.967 4.240 20 30 HIEDRO CC(C)Oc1ccccc1[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000046648789 848898139 /nfs/dbraw/zinc/89/81/39/848898139.db2.gz UZQHREVZGFDUHQ-LJQANCHMSA-N 1 0 408.546 4.180 20 30 HIEDRO C=CCc1ccccc1OC[C@@H](O)C[NH+]1CCC(C(=O)c2cc(F)ccc2F)CC1 ZINC000047798011 849115174 /nfs/dbraw/zinc/11/51/74/849115174.db2.gz AHGHMVLUBACRKM-FQEVSTJZSA-N 1 0 415.480 4.028 20 30 HIEDRO N#Cc1ccccc1OCc1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)o1 ZINC000048346203 849209631 /nfs/dbraw/zinc/20/96/31/849209631.db2.gz FPUDWLHOVZCTCJ-UHFFFAOYSA-N 1 0 415.493 4.078 20 30 HIEDRO COc1ccc(C[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c(OC)c1OC ZINC000048747761 849263114 /nfs/dbraw/zinc/26/31/14/849263114.db2.gz MMNPQIXNNFGNQI-UHFFFAOYSA-N 1 0 418.493 4.453 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1cc(Cl)ccc1OC ZINC000052485684 849586993 /nfs/dbraw/zinc/58/69/93/849586993.db2.gz YZVDGRPBHYKMMG-UHFFFAOYSA-N 1 0 406.983 4.447 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1cccc(OCc2ccccn2)c1 ZINC000056201370 850282328 /nfs/dbraw/zinc/28/23/28/850282328.db2.gz SSMMWYIEFLWQSM-MSOLQXFVSA-N 1 0 400.482 4.210 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOc1ccc(Cl)cc1Cl ZINC000058899048 850954273 /nfs/dbraw/zinc/95/42/73/850954273.db2.gz NUVNJVMAJSCWHO-UHFFFAOYSA-N 1 0 420.340 4.224 20 30 HIEDRO CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000058959290 850969030 /nfs/dbraw/zinc/96/90/30/850969030.db2.gz MSONOMVVYFVCPA-PKTZIBPZSA-N 1 0 413.525 4.341 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3csc(COc4ccccc4)n3)CC2)cc1 ZINC000060466706 851109489 /nfs/dbraw/zinc/10/94/89/851109489.db2.gz PASDERMVPKLJGR-UHFFFAOYSA-N 1 0 418.566 4.302 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]Cc2cc3c(c(Br)c2)OCO3)ccc1OC ZINC000060949354 851254927 /nfs/dbraw/zinc/25/49/27/851254927.db2.gz PLYPBIMJFZRHBN-UHFFFAOYSA-N 1 0 420.303 4.431 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000061791549 851454400 /nfs/dbraw/zinc/45/44/00/851454400.db2.gz YFOCZUCXZCUJIM-UHFFFAOYSA-N 1 0 420.582 4.370 20 30 HIEDRO Cc1c([C@H](C)[NH2+]C2CCC(Oc3ncccc3C#N)CC2)nnn1-c1ccc(C)cc1 ZINC000437081418 862277060 /nfs/dbraw/zinc/27/70/60/862277060.db2.gz HJMYUJMLHVIMJI-RYHLMMNBSA-N 1 0 416.529 4.192 20 30 HIEDRO CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000437090612 862282438 /nfs/dbraw/zinc/28/24/38/862282438.db2.gz WVNBPEASXRNJFW-MWXLCCTBSA-N 1 0 409.530 4.271 20 30 HIEDRO COc1ccc(CC[N@H+](CC(=O)NC2(C#N)CCCCC2)Cc2ccccc2)cc1 ZINC000064807313 851989627 /nfs/dbraw/zinc/98/96/27/851989627.db2.gz LIFVWFOHXXZQLY-UHFFFAOYSA-N 1 0 405.542 4.083 20 30 HIEDRO Cc1ccc([C@H](CNC(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)[NH+](C)C)cc1 ZINC000065409310 852122357 /nfs/dbraw/zinc/12/23/57/852122357.db2.gz WDMBSQUTUFXJEX-SFHVURJKSA-N 1 0 420.435 4.232 20 30 HIEDRO C[C@@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[NH+]1CCC(C)CC1 ZINC000065414136 852124296 /nfs/dbraw/zinc/12/42/96/852124296.db2.gz YHRZDNKRGCHVTI-SFHVURJKSA-N 1 0 419.529 4.052 20 30 HIEDRO COc1cccc(C[N@H+](Cc2ccc(C#N)cc2OC(F)F)C2CCC(O)CC2)c1 ZINC000437143180 862334308 /nfs/dbraw/zinc/33/43/08/862334308.db2.gz QHVAIAFGJUPKRA-UHFFFAOYSA-N 1 0 416.468 4.474 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CSCc1cccc(Cl)c1 ZINC000065930002 852320901 /nfs/dbraw/zinc/32/09/01/852320901.db2.gz MDDQURRDPXVBED-UHFFFAOYSA-N 1 0 401.963 4.035 20 30 HIEDRO COc1cccc([C@H](CNC(=O)Nc2ccccc2SC[C@H](C)C#N)[NH+](C)C)c1 ZINC000078714807 852526202 /nfs/dbraw/zinc/52/62/02/852526202.db2.gz WLBOQJQQTLOEJC-UZLBHIALSA-N 1 0 412.559 4.371 20 30 HIEDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2occc2COc2cccc(C#N)c2)C1 ZINC000078916771 852534168 /nfs/dbraw/zinc/53/41/68/852534168.db2.gz RJFCHGSZUFXFTH-GOSISDBHSA-N 1 0 409.530 4.361 20 30 HIEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000097287059 852597194 /nfs/dbraw/zinc/59/71/94/852597194.db2.gz DPCQBQKBZXDAMT-FZQSFKQPSA-N 1 0 408.546 4.327 20 30 HIEDRO Cc1cc(C)c(NC(=O)[C@H](C)ON=C(N)c2cccc(C[NH+]3CCCCC3)c2)c(C)c1 ZINC000097571270 852632266 /nfs/dbraw/zinc/63/22/66/852632266.db2.gz BNGICLZQHMGCRK-FQEVSTJZSA-N 1 0 422.573 4.262 20 30 HIEDRO C=CCOc1ccc(C(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cc1 ZINC000109851523 853023404 /nfs/dbraw/zinc/02/34/04/853023404.db2.gz MABCPGCBMCEERI-GOSISDBHSA-N 1 0 411.521 4.023 20 30 HIEDRO COc1ccc(CC2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)cc1 ZINC000109960603 853039229 /nfs/dbraw/zinc/03/92/29/853039229.db2.gz JRYUVRGNAUKZIQ-UHFFFAOYSA-N 1 0 423.582 4.400 20 30 HIEDRO C=CCN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccccc1F ZINC000110177398 853069049 /nfs/dbraw/zinc/06/90/49/853069049.db2.gz OYKIPDRXSMLCCX-UHFFFAOYSA-N 1 0 413.562 4.001 20 30 HIEDRO CCC[N@H+](CCC(=O)Nc1ccc(C#N)c(Cl)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC000110989309 853180601 /nfs/dbraw/zinc/18/06/01/853180601.db2.gz MHSKKLFJUYCCOC-MRXNPFEDSA-N 1 0 412.921 4.279 20 30 HIEDRO CSCCNC(=S)C(C(=O)c1ccc(Cl)c(Cl)c1)[n+]1ccccc1 ZINC000131247212 853372739 /nfs/dbraw/zinc/37/27/39/853372739.db2.gz SCTPTGMFAUOGHU-UHFFFAOYSA-O 1 0 400.376 4.172 20 30 HIEDRO C[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C[C@H](c2ccccc2)O1 ZINC000138362894 853383842 /nfs/dbraw/zinc/38/38/42/853383842.db2.gz PTHIGSIKEIHAMG-OXJNMPFZSA-N 1 0 409.555 4.289 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000139478148 853410993 /nfs/dbraw/zinc/41/09/93/853410993.db2.gz ONWZCOOYQALIGH-UHFFFAOYSA-N 1 0 407.518 4.051 20 30 HIEDRO Cc1cc[n+](C(C(=O)c2ccc(C#N)cc2)C(=S)N[C@H](C)c2ccccc2)cc1 ZINC000185580605 853668291 /nfs/dbraw/zinc/66/82/91/853668291.db2.gz QBOGUMROTGRDHA-GOSISDBHSA-O 1 0 400.527 4.444 20 30 HIEDRO CCc1cccc[n+]1C(C(=O)c1c(C)noc1C)C(=S)N[C@H]1CCCC[C@@H]1C ZINC000186962807 853668931 /nfs/dbraw/zinc/66/89/31/853668931.db2.gz NZLFYIZJPGRPSK-KSSFIOAISA-O 1 0 400.568 4.248 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)NC(C)(C)CC)cc1 ZINC000186971200 853669083 /nfs/dbraw/zinc/66/90/83/853669083.db2.gz FPDWGRSWKHLTMB-UHFFFAOYSA-O 1 0 400.524 4.162 20 30 HIEDRO O=C(Nc1cccc(C#Cc2ccccc2)c1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000195634414 853727720 /nfs/dbraw/zinc/72/77/20/853727720.db2.gz DKCHUPRBCZDEED-UHFFFAOYSA-N 1 0 410.521 4.268 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)Nc2cc(Cl)ccc2C#N)cc1Br ZINC000216012990 853842565 /nfs/dbraw/zinc/84/25/65/853842565.db2.gz VBQKWISRNDBXQH-LLVKDONJSA-N 1 0 422.710 4.272 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cccc(C)c2NC(=O)c2ccccc2F)CC1 ZINC000216943335 853859525 /nfs/dbraw/zinc/85/95/25/853859525.db2.gz IWKYNKCBONLKGH-UHFFFAOYSA-N 1 0 409.505 4.157 20 30 HIEDRO C=CCOc1ccccc1C[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000236677150 853910214 /nfs/dbraw/zinc/91/02/14/853910214.db2.gz JLCJIQZIKXGYRS-UHFFFAOYSA-N 1 0 402.498 4.258 20 30 HIEDRO COc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)cc(I)c1OC ZINC000237168767 853975390 /nfs/dbraw/zinc/97/53/90/853975390.db2.gz BILCBAOBJCYOEZ-LBPRGKRZSA-N 1 0 422.266 4.031 20 30 HIEDRO CN(CCC#N)c1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)cc1 ZINC000237210815 853983084 /nfs/dbraw/zinc/98/30/84/853983084.db2.gz VGVJGQHXVVMCEX-NRFANRHFSA-N 1 0 416.491 4.419 20 30 HIEDRO COc1ccccc1[C@H](C[NH2+]Cc1ccc(N(C)CCC#N)cc1)N1CCCCC1 ZINC000237266715 853993887 /nfs/dbraw/zinc/99/38/87/853993887.db2.gz BQDQUEJSRRFHHX-DEOSSOPVSA-N 1 0 406.574 4.362 20 30 HIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(Br)c(OC)c(OC)c2)cc1OC ZINC000237291575 853999283 /nfs/dbraw/zinc/99/92/83/853999283.db2.gz LCUQAJKJKGOPBY-UHFFFAOYSA-N 1 0 422.319 4.330 20 30 HIEDRO COc1cc(C[NH2+][C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c(SC)cc1OC ZINC000237363500 854014870 /nfs/dbraw/zinc/01/48/70/854014870.db2.gz ARYGBTATOKRYHE-QGZVFWFLSA-N 1 0 415.534 4.195 20 30 HIEDRO C=C(C)COc1cc(C[NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)ccc1OC ZINC000237373694 854017744 /nfs/dbraw/zinc/01/77/44/854017744.db2.gz XQPMEUCUZISTMU-SFHVURJKSA-N 1 0 400.906 4.199 20 30 HIEDRO C[C@@H](C#N)Oc1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000237391090 854021464 /nfs/dbraw/zinc/02/14/64/854021464.db2.gz ORRQVCJRQJCOOF-OALUTQOASA-N 1 0 406.530 4.085 20 30 HIEDRO COc1ccc(CNc2ccc(N3CC[NH+](C)CC3)cc2C)cc1OCCCC#N ZINC000237399132 854023451 /nfs/dbraw/zinc/02/34/51/854023451.db2.gz SDICJOAUHRSSJR-UHFFFAOYSA-N 1 0 408.546 4.050 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCc2nc(C(F)(F)F)cs2)c(-c2ccccc2)n1 ZINC000237710805 854080608 /nfs/dbraw/zinc/08/06/08/854080608.db2.gz OCVTWGXVOWNKQG-UHFFFAOYSA-N 1 0 405.449 4.271 20 30 HIEDRO N#Cc1ccc2ncc(C[NH2+]C[C@@H](c3ccccc3)N3CCc4sccc4C3)n2c1 ZINC000237856853 854109416 /nfs/dbraw/zinc/10/94/16/854109416.db2.gz LBNKTEXXVIEUPN-QFIPXVFZSA-N 1 0 413.550 4.157 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)c1 ZINC000238065204 854139946 /nfs/dbraw/zinc/13/99/46/854139946.db2.gz BJECAUVTABIKPK-UHFFFAOYSA-N 1 0 400.482 4.306 20 30 HIEDRO O=C(Nc1ccccc1)c1cccc(CO[NH+]=Cc2ccc(N3CCOCC3)cc2)c1 ZINC000255318577 854217283 /nfs/dbraw/zinc/21/72/83/854217283.db2.gz AMEBERIBXLDQOY-UHFFFAOYSA-N 1 0 415.493 4.326 20 30 HIEDRO CCN(CC(=O)Nc1cc(Cl)ccc1C#N)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000261396554 854247139 /nfs/dbraw/zinc/24/71/39/854247139.db2.gz SMHBMKNAZIVPAH-UWJYYQICSA-N 1 0 410.949 4.308 20 30 HIEDRO CCCc1cc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)N[C@@H](C)CC)cc1 ZINC000299576845 854280553 /nfs/dbraw/zinc/28/05/53/854280553.db2.gz KKLCSQQRBSPFKL-HNNXBMFYSA-O 1 0 400.524 4.162 20 30 HIEDRO CCCc1cc[n+](C(C(=O)c2cccc([N+](=O)[O-])c2)C(=S)N[C@H](C)CC)cc1 ZINC000299576849 854280962 /nfs/dbraw/zinc/28/09/62/854280962.db2.gz KKLCSQQRBSPFKL-OAHLLOKOSA-O 1 0 400.524 4.162 20 30 HIEDRO CCCc1cc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)N[C@H](C)CC)cc1 ZINC000299619655 854281147 /nfs/dbraw/zinc/28/11/47/854281147.db2.gz QFNKOQAXXCODJQ-OAHLLOKOSA-O 1 0 400.524 4.162 20 30 HIEDRO C=C(C)C[NH+]1CCC(Nc2cnn(-c3ccc(C)c(Cl)c3)c(=O)c2Cl)CC1 ZINC000301189064 854324083 /nfs/dbraw/zinc/32/40/83/854324083.db2.gz VETWFNZJHUNAJF-UHFFFAOYSA-N 1 0 407.345 4.300 20 30 HIEDRO Cc1nnc(NC[C@H]2CCC[N@@H+](C)[C@H]2c2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000301295765 854350421 /nfs/dbraw/zinc/35/04/21/854350421.db2.gz RNYBTZXPVVRCSU-APWZRJJASA-N 1 0 403.452 4.479 20 30 HIEDRO CN(CC1CCN(c2cc[nH+]cc2)CC1)c1c(C#N)cnc2ccc(OC(F)F)cc21 ZINC000301934451 854497696 /nfs/dbraw/zinc/49/76/96/854497696.db2.gz QMVOTCZYIVSKIL-UHFFFAOYSA-N 1 0 423.467 4.456 20 30 HIEDRO CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3ccc(COc4ccccc4C#N)o3)C2)CC1 ZINC000303006901 854720046 /nfs/dbraw/zinc/72/00/46/854720046.db2.gz IOXBGLHNMWUKCK-FQEVSTJZSA-N 1 0 421.541 4.314 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+](Cc2ccc(F)cc2F)C2CC2)sc2c1CCC2 ZINC000303012323 854722178 /nfs/dbraw/zinc/72/21/78/854722178.db2.gz MYXCFMFZKLYVTD-UHFFFAOYSA-N 1 0 401.482 4.380 20 30 HIEDRO C=CCOc1ccc(C[NH2+]CC2(c3ccc4c(c3)OCO4)CCOCC2)cc1Cl ZINC000303207459 854817129 /nfs/dbraw/zinc/81/71/29/854817129.db2.gz QFNRGKBPBKCMHT-UHFFFAOYSA-N 1 0 415.917 4.472 20 30 HIEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000303559017 855039499 /nfs/dbraw/zinc/03/94/99/855039499.db2.gz KVQNVHUTHBIIFE-QHCPKHFHSA-N 1 0 403.526 4.228 20 30 HIEDRO C[C@@H](c1ccc(C#N)cc1)[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000303665073 855116979 /nfs/dbraw/zinc/11/69/79/855116979.db2.gz FAYLSIHNFKATIK-YOEHRIQHSA-N 1 0 413.319 4.127 20 30 HIEDRO Cc1nn(-c2ccccc2)c(C)c1CNC(=[NH2+])Nc1ccc(OC(F)(F)F)cc1 ZINC000303772894 855188715 /nfs/dbraw/zinc/18/87/15/855188715.db2.gz DUXQWWKPBWEQIM-UHFFFAOYSA-N 1 0 403.408 4.315 20 30 HIEDRO N#Cc1ccccc1N1CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000303822508 855223742 /nfs/dbraw/zinc/22/37/42/855223742.db2.gz KGSVSERIPQOTFU-UHFFFAOYSA-N 1 0 407.905 4.016 20 30 HIEDRO [NH2+]=C(NC[C@@H]1CCN(c2cccc(Br)c2)C1)Nc1ccc2c(c1)CCC2 ZINC000303869732 855261567 /nfs/dbraw/zinc/26/15/67/855261567.db2.gz FCDREFQOYAAPRU-HNNXBMFYSA-N 1 0 413.363 4.191 20 30 HIEDRO [NH2+]=C(NCc1ccc(N2CCCCCC2)nc1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303872255 855262176 /nfs/dbraw/zinc/26/21/76/855262176.db2.gz BXMCMXYIPYWZCT-UHFFFAOYSA-N 1 0 407.440 4.287 20 30 HIEDRO CCc1cccc(NC(=[NH2+])NC[C@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000303872502 855263339 /nfs/dbraw/zinc/26/33/39/855263339.db2.gz GJSAMBNTOWEASQ-MRXNPFEDSA-N 1 0 401.352 4.265 20 30 HIEDRO [NH2+]=C(NCCCNc1ccc(C(F)(F)F)cn1)Nc1ccc(OC(F)(F)F)cc1 ZINC000303885712 855269454 /nfs/dbraw/zinc/26/94/54/855269454.db2.gz JYLMJFNLQVZOTB-UHFFFAOYSA-N 1 0 421.345 4.228 20 30 HIEDRO CCc1ccc(NC(=[NH2+])NCCCN(Cc2cccnc2)C(=O)OC(C)(C)C)cc1 ZINC000303883964 855269542 /nfs/dbraw/zinc/26/95/42/855269542.db2.gz IYBJIFIIAQSVQZ-UHFFFAOYSA-N 1 0 411.550 4.198 20 30 HIEDRO OC1CCN(c2ccc(C[NH+]=C(Nc3ccccc3)N3CCCCC3)cc2F)CC1 ZINC000303890873 855272518 /nfs/dbraw/zinc/27/25/18/855272518.db2.gz QGHDHYZGYXVTCO-UHFFFAOYSA-N 1 0 410.537 4.241 20 30 HIEDRO COc1ccc(OC)c(NC(=[NH2+])NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c1 ZINC000303911479 855284708 /nfs/dbraw/zinc/28/47/08/855284708.db2.gz ZQLHESVIXACIAU-SFHVURJKSA-N 1 0 420.916 4.060 20 30 HIEDRO [NH2+]=C(NCCCc1nnc2n1CCCCC2)Nc1cccc(Oc2ccccc2)c1 ZINC000304470354 855355863 /nfs/dbraw/zinc/35/58/63/855355863.db2.gz DBGSWPZOCKZWPU-UHFFFAOYSA-N 1 0 404.518 4.156 20 30 HIEDRO [NH2+]=C(NCC(=O)Nc1ccc(F)c(F)c1F)Nc1cccc(Oc2ccccc2)c1 ZINC000304513132 855356122 /nfs/dbraw/zinc/35/61/22/855356122.db2.gz XSRKBPLHNFYNRV-UHFFFAOYSA-N 1 0 414.387 4.262 20 30 HIEDRO CC(C)Oc1ccc(NC(=[NH2+])NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC000304757994 855357531 /nfs/dbraw/zinc/35/75/31/855357531.db2.gz PMUQJUREXSFTQN-HXUWFJFHSA-N 1 0 412.534 4.466 20 30 HIEDRO CSc1nnc(CCCNC(=[NH2+])Nc2cccc3c2CCCC3)n1C1CCCC1 ZINC000304646625 855357997 /nfs/dbraw/zinc/35/79/97/855357997.db2.gz FDMVNYRNPACKBF-UHFFFAOYSA-N 1 0 412.607 4.353 20 30 HIEDRO COc1ccccc1Oc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)cc1 ZINC000304762021 855358684 /nfs/dbraw/zinc/35/86/84/855358684.db2.gz VCZNQCJGDACBCK-HXUWFJFHSA-N 1 0 403.482 4.416 20 30 HIEDRO COc1ccc(NC(=[NH2+])NCc2ccc(C)cc2OC[C@@H]2CCCO2)cc1Cl ZINC000304986698 855358976 /nfs/dbraw/zinc/35/89/76/855358976.db2.gz IKXVLIHVDXCLJW-KRWDZBQOSA-N 1 0 403.910 4.142 20 30 HIEDRO COc1ccccc1[C@H](CNC(=[NH2+])Nc1ccccc1OC(F)(F)F)N1CCCC1 ZINC000305237580 855359911 /nfs/dbraw/zinc/35/99/11/855359911.db2.gz OIMQSOHFOHXXIS-KRWDZBQOSA-N 1 0 422.451 4.158 20 30 HIEDRO CC[C@H](C)C(=O)Nc1cccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)c1 ZINC000305198575 855359953 /nfs/dbraw/zinc/35/99/53/855359953.db2.gz FCXAWLPSDMFZDX-ZDUSSCGKSA-N 1 0 408.424 4.497 20 30 HIEDRO COc1ccc(CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)cc1Br ZINC000305225602 855360180 /nfs/dbraw/zinc/36/01/80/855360180.db2.gz KNYQUSDPLIHGCX-UHFFFAOYSA-N 1 0 418.213 4.283 20 30 HIEDRO Cc1cc(C)n(-c2ccccc2CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)n1 ZINC000305096434 855360414 /nfs/dbraw/zinc/36/04/14/855360414.db2.gz TWOBSEUSPZHBMQ-UHFFFAOYSA-N 1 0 403.408 4.315 20 30 HIEDRO COc1ccc(C[C@@H](C)CNC(=[NH2+])Nc2ccc(OC(F)(F)F)cc2)cc1OC ZINC000305704577 855361017 /nfs/dbraw/zinc/36/10/17/855361017.db2.gz VKHJPHKPCNUMMM-CYBMUJFWSA-N 1 0 411.424 4.208 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC000409465773 855493708 /nfs/dbraw/zinc/49/37/08/855493708.db2.gz WZBKORWLNXONRH-IBGZPJMESA-N 1 0 413.525 4.048 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCC[NH+]1CCCCC1 ZINC000409470708 855496817 /nfs/dbraw/zinc/49/68/17/855496817.db2.gz RVGDBUMYSAMIRM-UHFFFAOYSA-N 1 0 412.347 4.162 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CC[N@@H+](CCC)C1 ZINC000409572836 855546707 /nfs/dbraw/zinc/54/67/07/855546707.db2.gz CTAQXWMPGYHVFS-OAHLLOKOSA-N 1 0 412.347 4.018 20 30 HIEDRO N#Cc1nc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)ccc1C(F)(F)F ZINC000409728701 855623779 /nfs/dbraw/zinc/62/37/79/855623779.db2.gz QCGNGRGFTOCVEF-XLIONFOSSA-N 1 0 400.448 4.463 20 30 HIEDRO CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)Nc1ccc(C#N)cc1Cl ZINC000426140353 856134615 /nfs/dbraw/zinc/13/46/15/856134615.db2.gz RGALSXICMQDJFR-UHFFFAOYSA-N 1 0 413.909 4.006 20 30 HIEDRO FC(F)(F)c1ccc(C#CC[N@@H+]2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000426356263 856256931 /nfs/dbraw/zinc/25/69/31/856256931.db2.gz IKHZYFHXPGBZQB-GOSISDBHSA-N 1 0 402.464 4.254 20 30 HIEDRO CCN(CC(=O)Nc1sc(C)c(C)c1C#N)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000426420960 856282276 /nfs/dbraw/zinc/28/22/76/856282276.db2.gz PJCUXZZAIWMCSQ-XLIONFOSSA-N 1 0 410.587 4.333 20 30 HIEDRO O=C(NC[C@@H]1CCC[N@@H+](CC#Cc2ccc(C(F)(F)F)cc2)C1)c1ccccc1 ZINC000426426708 856284909 /nfs/dbraw/zinc/28/49/09/856284909.db2.gz ZJFCUSSXAUXXHN-IBGZPJMESA-N 1 0 400.444 4.199 20 30 HIEDRO Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000426647188 856392828 /nfs/dbraw/zinc/39/28/28/856392828.db2.gz OEAFYYRBITXROA-UHFFFAOYSA-N 1 0 410.566 4.178 20 30 HIEDRO Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)N(CCC#N)CCC[NH+](C)C ZINC000426672698 856406030 /nfs/dbraw/zinc/40/60/30/856406030.db2.gz SRWNJYJEEKOWPI-UHFFFAOYSA-N 1 0 410.566 4.178 20 30 HIEDRO Cc1sc(NC(=O)CN(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c(C#N)c1C ZINC000426994931 856585736 /nfs/dbraw/zinc/58/57/36/856585736.db2.gz LBRZNSQCTYYGJB-OXJNMPFZSA-N 1 0 410.587 4.160 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2OCCc3sccc32)c1 ZINC000427860006 856984986 /nfs/dbraw/zinc/98/49/86/856984986.db2.gz YTNFUZRFFQMXAY-FGSXEWAUSA-N 1 0 411.571 4.292 20 30 HIEDRO C=CCOc1cccc(C[NH2+]C2(C(=O)Nc3ccc(OC)c(OC)c3)CCCC2)c1 ZINC000428413211 857196842 /nfs/dbraw/zinc/19/68/42/857196842.db2.gz YMLGCPIYNBYYKA-UHFFFAOYSA-N 1 0 410.514 4.310 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@H]2Cc3cccc(O)c3C2)cc1OCC ZINC000428567000 857267941 /nfs/dbraw/zinc/26/79/41/857267941.db2.gz QKOYUZPCQVIFBD-INIZCTEOSA-N 1 0 418.331 4.375 20 30 HIEDRO C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428794959 857343664 /nfs/dbraw/zinc/34/36/64/857343664.db2.gz PCZZAQBTTNQTLX-MBSDFSHPSA-N 1 0 412.493 4.420 20 30 HIEDRO C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 ZINC000428911332 857409035 /nfs/dbraw/zinc/40/90/35/857409035.db2.gz JIBJYZKFEPXQQR-UGKGYDQZSA-N 1 0 413.525 4.029 20 30 HIEDRO COc1cc(C[NH2+][C@H]2Cc3cccc(O)c3C2)ccc1OCc1cccc(C#N)c1 ZINC000429317938 857600763 /nfs/dbraw/zinc/60/07/63/857600763.db2.gz LXIHNILMSLKLMU-NRFANRHFSA-N 1 0 400.478 4.108 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC(c2ccncc2)CC1 ZINC000429586120 857770702 /nfs/dbraw/zinc/77/07/02/857770702.db2.gz APQUJXFYILMDQE-MRXNPFEDSA-N 1 0 408.571 4.490 20 30 HIEDRO C[NH+](C)[C@H]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000429747210 857868244 /nfs/dbraw/zinc/86/82/44/857868244.db2.gz JUIYCTQEVAUQPE-FQEVSTJZSA-N 1 0 410.493 4.224 20 30 HIEDRO CC(C)N1CC[C@@H]([NH2+]CC(=O)Nc2sccc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000429775874 857880200 /nfs/dbraw/zinc/88/02/00/857880200.db2.gz QVFLYZSFGXISEZ-MJGOQNOKSA-N 1 0 420.941 4.164 20 30 HIEDRO COc1cc(C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1OCc1cccs1 ZINC000430182082 858070459 /nfs/dbraw/zinc/07/04/59/858070459.db2.gz XGZMFHIKHDMCQZ-LJQANCHMSA-N 1 0 421.522 4.256 20 30 HIEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)C2)nc1 ZINC000430185116 858071587 /nfs/dbraw/zinc/07/15/87/858071587.db2.gz IKAXQKKGKMWUIF-INIZCTEOSA-N 1 0 406.467 4.243 20 30 HIEDRO C=CCN1C(=O)N(Cc2ccccc2C[NH+](CC)CC)C(=O)[C@@H]1Cc1ccccc1 ZINC000430754106 858289930 /nfs/dbraw/zinc/28/99/30/858289930.db2.gz LKIZINJPLIOPLO-QHCPKHFHSA-N 1 0 405.542 4.090 20 30 HIEDRO COc1ccccc1[C@@H](CNC(=O)c1cccc(SCC#N)c1)[NH+]1CCCCC1 ZINC000430772154 858299445 /nfs/dbraw/zinc/29/94/45/858299445.db2.gz JZLFIKNNPWIJGA-OAQYLSRUSA-N 1 0 409.555 4.268 20 30 HIEDRO CCCN(C(=O)c1cccs1)C1CC[NH+](CCCOc2cccc(C#N)c2)CC1 ZINC000431157167 858476760 /nfs/dbraw/zinc/47/67/60/858476760.db2.gz ROMDWMYRQZIFMS-UHFFFAOYSA-N 1 0 411.571 4.405 20 30 HIEDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 ZINC000431452125 858623597 /nfs/dbraw/zinc/62/35/97/858623597.db2.gz MFSLZXYGFJARKK-CVDCTZTESA-N 1 0 405.546 4.341 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3nc4ccccc4o3)sc2C1 ZINC000431595530 858680938 /nfs/dbraw/zinc/68/09/38/858680938.db2.gz JYOYDXZEFOMPNP-CQSZACIVSA-N 1 0 408.527 4.346 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000432874909 859402365 /nfs/dbraw/zinc/40/23/65/859402365.db2.gz WEQDKXCFUSXDGV-DEOSSOPVSA-N 1 0 404.514 4.005 20 30 HIEDRO N#CCCC[C@@H]([NH2+]CCN1c2cccc3cccc(c23)S1(=O)=O)c1ccccc1 ZINC000433011900 859477286 /nfs/dbraw/zinc/47/72/86/859477286.db2.gz HKIXGQLAHCSRRL-HXUWFJFHSA-N 1 0 405.523 4.373 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)c1 ZINC000433305561 859627917 /nfs/dbraw/zinc/62/79/17/859627917.db2.gz NZJTZKPEHXGAFZ-XMMPIXPASA-N 1 0 405.542 4.044 20 30 HIEDRO Cc1cc(F)ccc1N1CCC[C@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000433316092 859634183 /nfs/dbraw/zinc/63/41/83/859634183.db2.gz HAONSHHLRDDYES-QFIPXVFZSA-N 1 0 418.520 4.065 20 30 HIEDRO N#CCCn1cc(C[NH2+][C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)c(-c2ccncc2)n1 ZINC000433315003 859634440 /nfs/dbraw/zinc/63/44/40/859634440.db2.gz AOXZTZVSTCAUEF-GOSISDBHSA-N 1 0 424.911 4.020 20 30 HIEDRO CC1(C)[C@@H]([NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)C[C@@H]1OCc1ccccc1 ZINC000433317603 859635544 /nfs/dbraw/zinc/63/55/44/859635544.db2.gz DTAHDNCTYGFILK-GOTSBHOMSA-N 1 0 415.541 4.332 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccc(F)cc2C(F)(F)F)c(-c2ccncc2)n1 ZINC000433319178 859637444 /nfs/dbraw/zinc/63/74/44/859637444.db2.gz NSTWXGIQVBOGJH-UHFFFAOYSA-N 1 0 403.383 4.306 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2cc(Cl)ccc2OC(F)F)c(-c2ccncc2)n1 ZINC000433324969 859642174 /nfs/dbraw/zinc/64/21/74/859642174.db2.gz DCDFTDGZOXROEX-UHFFFAOYSA-N 1 0 417.847 4.403 20 30 HIEDRO C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000433406484 859681950 /nfs/dbraw/zinc/68/19/50/859681950.db2.gz PLYJBEGMZXZFJL-PMACEKPBSA-N 1 0 420.557 4.086 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000467704712 881500451 /nfs/dbraw/zinc/50/04/51/881500451.db2.gz LQARVDOTQWKBIK-GOSISDBHSA-N 1 0 416.591 4.190 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000434868047 860528983 /nfs/dbraw/zinc/52/89/83/860528983.db2.gz KBRJTZGEUHBOMU-LRDDRELGSA-N 1 0 409.433 4.017 20 30 HIEDRO COC(=O)[C@H](NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(C#N)c1 ZINC000434871029 860529389 /nfs/dbraw/zinc/52/93/89/860529389.db2.gz UVAZZMRFRNITBQ-KHCICDEESA-N 1 0 405.542 4.040 20 30 HIEDRO N#CCCCn1cc(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c2ccccc21 ZINC000435077734 860631090 /nfs/dbraw/zinc/63/10/90/860631090.db2.gz OJKGYQWLSPFZJH-UHFFFAOYSA-N 1 0 414.553 4.382 20 30 HIEDRO C=CCC[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000435097951 860641160 /nfs/dbraw/zinc/64/11/60/860641160.db2.gz WAXKZKCAOKIYKY-DEOSSOPVSA-N 1 0 402.542 4.483 20 30 HIEDRO C[N@H+](CCCOc1cccc(Cl)c1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435130894 860655018 /nfs/dbraw/zinc/65/50/18/860655018.db2.gz WJEGYEQGKLWPAX-UHFFFAOYSA-N 1 0 409.921 4.413 20 30 HIEDRO Cc1oc(C#N)cc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000435462279 860806810 /nfs/dbraw/zinc/80/68/10/860806810.db2.gz BRKJNIGIMFCYCE-DNVCBOLYSA-N 1 0 405.420 4.291 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1C#N ZINC000435535027 860849539 /nfs/dbraw/zinc/84/95/39/860849539.db2.gz CBISCGKJNAQKGZ-KRWDZBQOSA-N 1 0 412.559 4.441 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1C#N ZINC000435535028 860849700 /nfs/dbraw/zinc/84/97/00/860849700.db2.gz CBISCGKJNAQKGZ-QGZVFWFLSA-N 1 0 412.559 4.441 20 30 HIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000435749632 861028581 /nfs/dbraw/zinc/02/85/81/861028581.db2.gz KOMDMICYSMMDBU-IIBYNOLFSA-N 1 0 417.347 4.494 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000435890099 861146715 /nfs/dbraw/zinc/14/67/15/861146715.db2.gz XPDINRQDRZFSGS-JKSUJKDBSA-N 1 0 400.320 4.435 20 30 HIEDRO C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)CC[N@@H+]1C ZINC000437744601 863069984 /nfs/dbraw/zinc/06/99/84/863069984.db2.gz KQTAQAASCIGCEO-GCJKJVERSA-N 1 0 406.530 4.278 20 30 HIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000437837215 863191389 /nfs/dbraw/zinc/19/13/89/863191389.db2.gz DZLHCEYFBYRXTN-QFIPXVFZSA-N 1 0 422.529 4.234 20 30 HIEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1ccc(Sc2ccccc2C#N)cc1 ZINC000437960901 863332105 /nfs/dbraw/zinc/33/21/05/863332105.db2.gz WWOBRSLXRJIJGD-HJNYFJLDSA-N 1 0 421.566 4.033 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000438208118 863640778 /nfs/dbraw/zinc/64/07/78/863640778.db2.gz AUFNFOWOZKLPCM-QFBILLFUSA-N 1 0 408.502 4.306 20 30 HIEDRO C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccccc2SCC#N)CC[N@@H+]1Cc1ccccc1 ZINC000438456537 863879727 /nfs/dbraw/zinc/87/97/27/863879727.db2.gz QNINDOOKPCRZAN-FPOVZHCZSA-N 1 0 422.598 4.226 20 30 HIEDRO C[NH+](C)CCCOc1ccc(CNC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cc1 ZINC000438645075 864082800 /nfs/dbraw/zinc/08/28/00/864082800.db2.gz CUVZLGSOCBINIE-UHFFFAOYSA-N 1 0 420.435 4.229 20 30 HIEDRO COc1ccc(C#N)cc1C[N@@H+]1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn32)C1 ZINC000438716034 864200121 /nfs/dbraw/zinc/20/01/21/864200121.db2.gz HAWGGOISSHELAE-OAHLLOKOSA-N 1 0 415.419 4.008 20 30 HIEDRO C=CCC[C@@H]([NH2+]CC(C)(C)S(=O)(=O)c1ccc(Br)cc1)C1CC1 ZINC000438992572 864451999 /nfs/dbraw/zinc/45/19/99/864451999.db2.gz HYZSIEVZMANIQF-QGZVFWFLSA-N 1 0 400.382 4.336 20 30 HIEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000439316252 864750977 /nfs/dbraw/zinc/75/09/77/864750977.db2.gz CXJCFFVUVBBEFX-FOIQADDNSA-N 1 0 406.368 4.071 20 30 HIEDRO C[C@H](Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)N(CCC#N)c1ccccc1 ZINC000439571380 864893401 /nfs/dbraw/zinc/89/34/01/864893401.db2.gz ORPKCLFLELMGNE-NRFANRHFSA-N 1 0 404.558 4.462 20 30 HIEDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000439618143 864940332 /nfs/dbraw/zinc/94/03/32/864940332.db2.gz XMFWVGDJBZYZJZ-JOQQVMPUSA-N 1 0 401.576 4.009 20 30 HIEDRO CCCc1c(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cnn1-c1cccc(C#N)c1 ZINC000439674527 865007105 /nfs/dbraw/zinc/00/71/05/865007105.db2.gz QCPJKNNXWXVMOF-OAQYLSRUSA-N 1 0 410.566 4.184 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)Nc2ccc(OC)cc2OCc2ccccc2)CC1 ZINC000439682503 865017152 /nfs/dbraw/zinc/01/71/52/865017152.db2.gz QSJDUVZUWHIBPD-UHFFFAOYSA-N 1 0 409.530 4.436 20 30 HIEDRO CCCc1c(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)cnn1-c1cccc(C#N)c1 ZINC000439700969 865038301 /nfs/dbraw/zinc/03/83/01/865038301.db2.gz HXCBOIRYMJFLBP-HXUWFJFHSA-N 1 0 422.558 4.182 20 30 HIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000440174279 865398420 /nfs/dbraw/zinc/39/84/20/865398420.db2.gz LTUDRNBRBNIICH-LJQANCHMSA-N 1 0 405.546 4.099 20 30 HIEDRO CC1(C)C[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@]2(C[C@@H]3CC[C@H]2C3)O1 ZINC000440537796 865809203 /nfs/dbraw/zinc/80/92/03/865809203.db2.gz HAFLZRNBDIXREL-SYJLOODJSA-N 1 0 413.587 4.107 20 30 HIEDRO C=CCc1ccccc1OC[C@H](O)CN(C)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000440551478 865816306 /nfs/dbraw/zinc/81/63/06/865816306.db2.gz CCDFRKYKGNLXNT-ZJSXRUAMSA-N 1 0 423.944 4.320 20 30 HIEDRO COc1cc(C[NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)ccc1C#N ZINC000440623907 865844965 /nfs/dbraw/zinc/84/49/65/865844965.db2.gz XUMFKOVPMQQZQM-UHFFFAOYSA-N 1 0 414.347 4.084 20 30 HIEDRO COc1cc(C[NH2+][C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)ccc1C#N ZINC000440830271 865944448 /nfs/dbraw/zinc/94/44/48/865944448.db2.gz KQDONDITVDOTRP-LJQANCHMSA-N 1 0 417.431 4.039 20 30 HIEDRO N#CC1CCC(CNC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3Cl)C2)CC1 ZINC000440983008 866066130 /nfs/dbraw/zinc/06/61/30/866066130.db2.gz BCSVGHHPYDGTTH-LADRWXRNSA-N 1 0 406.933 4.073 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1C[C@H](c2ccccc2)C(C)(C)C1 ZINC000441080996 866173144 /nfs/dbraw/zinc/17/31/44/866173144.db2.gz QRHIGDDTGJAPBA-JOCHJYFZSA-N 1 0 422.573 4.077 20 30 HIEDRO C[C@@H](O)C[N@H+](Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000441267550 866342018 /nfs/dbraw/zinc/34/20/18/866342018.db2.gz PVYJVFDHFPCDHR-JKSUJKDBSA-N 1 0 410.905 4.076 20 30 HIEDRO C[C@@H]1C[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)C[N@@H+]1C1CC1 ZINC000441290046 866364220 /nfs/dbraw/zinc/36/42/20/866364220.db2.gz WWCDYCFVBLONCF-VGOFRKELSA-N 1 0 406.505 4.034 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CC[C@@H](COCc3ccccc3)C2)c1 ZINC000441331664 866403221 /nfs/dbraw/zinc/40/32/21/866403221.db2.gz OURNGOAABUBCDK-HSZRJFAPSA-N 1 0 405.542 4.089 20 30 HIEDRO CCCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000441487660 866568515 /nfs/dbraw/zinc/56/85/15/866568515.db2.gz FWGSOLQBYIZEEM-HSZRJFAPSA-N 1 0 415.541 4.485 20 30 HIEDRO CCN(Cc1nnc(-c2ccc(C#N)cc2)o1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000441548326 866624646 /nfs/dbraw/zinc/62/46/46/866624646.db2.gz YVMKQJJHNUIYOE-PGRDOPGGSA-N 1 0 401.514 4.266 20 30 HIEDRO N#Cc1cc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1OC(F)(F)F ZINC000442058937 867091225 /nfs/dbraw/zinc/09/12/25/867091225.db2.gz YGEFADQAZJQSQS-MRXNPFEDSA-N 1 0 418.419 4.100 20 30 HIEDRO CC[N@H+](Cc1ccc(C#N)c(OC)c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000442873872 867708927 /nfs/dbraw/zinc/70/89/27/867708927.db2.gz ADSOVJGTEJNKBN-UHFFFAOYSA-N 1 0 407.562 4.280 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCN2CCc3c(Cl)cccc3C2)c(-c2ccccc2)n1 ZINC000443017235 867794275 /nfs/dbraw/zinc/79/42/75/867794275.db2.gz ZAZMAJSHVVAZCE-UHFFFAOYSA-N 1 0 419.960 4.265 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCC2(c3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000443108110 867821607 /nfs/dbraw/zinc/82/16/07/867821607.db2.gz MACXYKLQLQGOPT-UHFFFAOYSA-N 1 0 413.459 4.216 20 30 HIEDRO CC[NH+](CC)CCOc1ccc(NC(=O)c2cc(-c3cccc(C#N)c3)no2)cc1 ZINC000468251172 882157942 /nfs/dbraw/zinc/15/79/42/882157942.db2.gz OUJHUFWLHRQHBJ-UHFFFAOYSA-N 1 0 404.470 4.186 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)sc2c1CCC2 ZINC000443650654 868245815 /nfs/dbraw/zinc/24/58/15/868245815.db2.gz IUQSLPGPGOOZOI-AWEZNQCLSA-N 1 0 415.946 4.244 20 30 HIEDRO C[C@H]1C[NH+](CCCCNC(=O)c2ccc(Sc3ccccc3C#N)cc2)C[C@H](C)O1 ZINC000443672752 868279445 /nfs/dbraw/zinc/27/94/45/868279445.db2.gz HGXYOBKJURUNMX-OALUTQOASA-N 1 0 423.582 4.329 20 30 HIEDRO C[C@H](NC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1)C(C)(C)C[NH+](C)C ZINC000443687871 868291467 /nfs/dbraw/zinc/29/14/67/868291467.db2.gz YDFQDUFQNFJFTD-SFHVURJKSA-N 1 0 410.537 4.385 20 30 HIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(Oc4cccc(F)c4)cc3)C2=O)cc1 ZINC000443997197 868518274 /nfs/dbraw/zinc/51/82/74/868518274.db2.gz LURBVAYOILMUHO-XMMPIXPASA-N 1 0 415.468 4.380 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000444169924 868647408 /nfs/dbraw/zinc/64/74/08/868647408.db2.gz LYVLRUBAGUSRBL-IAGOWNOFSA-N 1 0 402.608 4.022 20 30 HIEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cn(CCCC#N)c2ccccc12 ZINC000444273488 868709474 /nfs/dbraw/zinc/70/94/74/868709474.db2.gz PWTUMHPRHZAZJT-AUSIDOKSSA-N 1 0 400.526 4.195 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000444397009 868809435 /nfs/dbraw/zinc/80/94/35/868809435.db2.gz PUAWULUCPCWESH-UHFFFAOYSA-N 1 0 409.465 4.189 20 30 HIEDRO CC(C)(C#N)CCCC[NH+]1CCN(CCCc2nc(-c3cccs3)no2)CC1 ZINC000444587743 868891441 /nfs/dbraw/zinc/89/14/41/868891441.db2.gz BOUVVKOHAXSTDX-UHFFFAOYSA-N 1 0 401.580 4.068 20 30 HIEDRO CC(C)(C#N)CCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000444638703 868925813 /nfs/dbraw/zinc/92/58/13/868925813.db2.gz LMEFBNSTTRIAQP-OAHLLOKOSA-N 1 0 407.356 4.215 20 30 HIEDRO CS[C@H]1CN(CCC(C#N)(c2ccccc2)c2ccccc2)C[C@H]1[NH+]1CCCC1 ZINC000444684879 868958217 /nfs/dbraw/zinc/95/82/17/868958217.db2.gz LYXJMAZDKDLXAB-RPWUZVMVSA-N 1 0 405.611 4.398 20 30 HIEDRO C=CC[C@@H]1[N@H+](Cc2nc(-c3cc(OC)c(OC)c(OC)c3)no2)CCCC1(C)C ZINC000444777197 868997838 /nfs/dbraw/zinc/99/78/38/868997838.db2.gz FEJLMLCIUJUUEF-SFHVURJKSA-N 1 0 401.507 4.329 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)NCC2(c3cc(C(F)(F)F)ccc3Cl)CC2)CC1 ZINC000468324833 882254116 /nfs/dbraw/zinc/25/41/16/882254116.db2.gz AIUZQSIHTPDUIW-UHFFFAOYSA-N 1 0 415.887 4.340 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@@H](CC(F)(F)F)C(C)C)c1C#N ZINC000445893428 869875749 /nfs/dbraw/zinc/87/57/49/869875749.db2.gz KCFDQXPLVKIQKL-KRWDZBQOSA-N 1 0 410.440 4.123 20 30 HIEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 ZINC000445987630 869951226 /nfs/dbraw/zinc/95/12/26/869951226.db2.gz HAVLQTXJSSXLEX-UXHICEINSA-N 1 0 422.472 4.277 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+][C@H]2CCC[C@@H]2c2ccccc2)c1C#N ZINC000445995360 869958792 /nfs/dbraw/zinc/95/87/92/869958792.db2.gz LAOYLIMSZABZHZ-GGAORHGYSA-N 1 0 416.525 4.482 20 30 HIEDRO N#Cc1ccc(CSc2ccccc2C(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000446435970 870354708 /nfs/dbraw/zinc/35/47/08/870354708.db2.gz JCSAGDDZKFSKJP-UHFFFAOYSA-N 1 0 405.567 4.455 20 30 HIEDRO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1cc(-c2cccc(C#N)c2)no1 ZINC000447551021 871427224 /nfs/dbraw/zinc/42/72/24/871427224.db2.gz JJUMNZATHFPBCI-PFWHTEFJSA-N 1 0 414.509 4.100 20 30 HIEDRO CC[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccc(C#N)cc1 ZINC000447561893 871454701 /nfs/dbraw/zinc/45/47/01/871454701.db2.gz JPITUBIZHQEXDG-HXUWFJFHSA-N 1 0 417.600 4.078 20 30 HIEDRO CC(C)c1cc(C(=O)N(CC[NH+](C)C)Cc2cccc(C#N)c2)c2ccccc2n1 ZINC000448348412 872296018 /nfs/dbraw/zinc/29/60/18/872296018.db2.gz KNCZETQMKQWJIK-UHFFFAOYSA-N 1 0 400.526 4.434 20 30 HIEDRO C=C(C)Cn1c([C@H]2CCO[C@@H]2c2ccccc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000460367218 873001168 /nfs/dbraw/zinc/00/11/68/873001168.db2.gz ASWOFQJXTGOCHQ-XMGTWHOFSA-N 1 0 409.578 4.018 20 30 HIEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000460374854 873012200 /nfs/dbraw/zinc/01/22/00/873012200.db2.gz JGFSYKIYXQFORO-UYAOXDASSA-N 1 0 402.546 4.132 20 30 HIEDRO C=C(C)Cn1c(-c2ccccn2)nnc1N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000460547840 873253188 /nfs/dbraw/zinc/25/31/88/873253188.db2.gz FRWIQXYXOACIFH-NRFANRHFSA-N 1 0 402.546 4.017 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000460556456 873275245 /nfs/dbraw/zinc/27/52/45/873275245.db2.gz HHGLUNQHNCUREY-QFBILLFUSA-N 1 0 415.969 4.321 20 30 HIEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000460770574 873617764 /nfs/dbraw/zinc/61/77/64/873617764.db2.gz RRLZLULMOPLWDX-HJNYFJLDSA-N 1 0 409.578 4.368 20 30 HIEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000460775440 873625891 /nfs/dbraw/zinc/62/58/91/873625891.db2.gz GDCWNOXJTBSBSW-NRFANRHFSA-N 1 0 416.573 4.325 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460775890 873628637 /nfs/dbraw/zinc/62/86/37/873628637.db2.gz HQRRHXKXBXPADT-JFJDKTSWSA-N 1 0 423.605 4.441 20 30 HIEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)C1CC[NH+](CCC)CC1 ZINC000460788544 873649384 /nfs/dbraw/zinc/64/93/84/873649384.db2.gz CDOLEERWIWXFGW-UHFFFAOYSA-N 1 0 404.562 4.380 20 30 HIEDRO C=C(C)Cn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000460793880 873660943 /nfs/dbraw/zinc/66/09/43/873660943.db2.gz MOIMFDSVTHQOFP-SNJCGAMXSA-N 1 0 423.605 4.266 20 30 HIEDRO C=C(C)Cn1c([C@@H]2CCOC2)nnc1N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000460952200 873850931 /nfs/dbraw/zinc/85/09/31/873850931.db2.gz NZPSVEXKXCXNKL-FCEUIQTBSA-N 1 0 409.578 4.020 20 30 HIEDRO C=CCc1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc(OC)c1OC ZINC000461432746 874480052 /nfs/dbraw/zinc/48/00/52/874480052.db2.gz VJIXBCGUBYEKQN-JTHBVZDNSA-N 1 0 420.553 4.026 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c(-c2ccccc2)n1 ZINC000463030154 876048662 /nfs/dbraw/zinc/04/86/62/876048662.db2.gz RIQLDRXGFVOLIU-SANMLTNESA-N 1 0 414.553 4.281 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(N[C@H](CO)c3c(Cl)cccc3Cl)CC2)cc1 ZINC000463246905 876304836 /nfs/dbraw/zinc/30/48/36/876304836.db2.gz YCKDKVAIJOAHEU-HXUWFJFHSA-N 1 0 404.341 4.153 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]CC3(CCOCc4ccccc4)CC3)CC2)cc1 ZINC000463262865 876320319 /nfs/dbraw/zinc/32/03/19/876320319.db2.gz BSTNEOAEJCICNY-UHFFFAOYSA-N 1 0 403.570 4.499 20 30 HIEDRO CCCOc1ccc(CCC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000463358512 876411641 /nfs/dbraw/zinc/41/16/41/876411641.db2.gz DYZUQWIEDOVQKS-UHFFFAOYSA-N 1 0 405.542 4.014 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@@H+]3Cc4ccc(O)cc4C4(CC4)C3)sc2C1 ZINC000463420331 876475637 /nfs/dbraw/zinc/47/56/37/876475637.db2.gz QYMLMFOXUOATMQ-HNNXBMFYSA-N 1 0 421.566 4.326 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@H+]2Cc3ccc(O)cc3C3(CC3)C2)sc2c1CCCC2 ZINC000463431450 876487477 /nfs/dbraw/zinc/48/74/77/876487477.db2.gz SCHCMSCXXSKZMO-UHFFFAOYSA-N 1 0 407.539 4.080 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCc1cccc(C(F)(F)F)c1 ZINC000463507959 876569163 /nfs/dbraw/zinc/56/91/63/876569163.db2.gz SXECWJQSLJPVEE-UHFFFAOYSA-N 1 0 403.448 4.100 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000463510034 876572477 /nfs/dbraw/zinc/57/24/77/876572477.db2.gz WBCDFJWSUYWJAC-UHFFFAOYSA-N 1 0 415.459 4.244 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)CCc2nc3cc(Br)ccc3s2)CC1 ZINC000463791973 876910776 /nfs/dbraw/zinc/91/07/76/876910776.db2.gz UASNMKJITVJKNU-UHFFFAOYSA-N 1 0 422.392 4.148 20 30 HIEDRO N#Cc1ccccc1COc1ccc(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000464347257 877538655 /nfs/dbraw/zinc/53/86/55/877538655.db2.gz XNEJWQSZRXIEKM-QHCPKHFHSA-N 1 0 403.526 4.132 20 30 HIEDRO N#Cc1ccccc1OCc1cccc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000464359557 877553972 /nfs/dbraw/zinc/55/39/72/877553972.db2.gz XULGOLLQIQDPCU-HSZRJFAPSA-N 1 0 403.526 4.132 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000464416160 877623650 /nfs/dbraw/zinc/62/36/50/877623650.db2.gz GOCVXAVEWVMBFC-CTNGQTDRSA-N 1 0 408.542 4.385 20 30 HIEDRO Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000464608674 877836126 /nfs/dbraw/zinc/83/61/26/877836126.db2.gz KJQMCMQUEVXFJD-HZPDHXFCSA-N 1 0 413.591 4.488 20 30 HIEDRO COCCCN(C(=O)c1ccc(Sc2ccccc2C#N)cc1)C1CC[NH+](C)CC1 ZINC000464719133 877945514 /nfs/dbraw/zinc/94/55/14/877945514.db2.gz HYWZHTSNZHUGCR-UHFFFAOYSA-N 1 0 423.582 4.282 20 30 HIEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2COc2ccc(CC#N)cc2)C1 ZINC000465157150 878539157 /nfs/dbraw/zinc/53/91/57/878539157.db2.gz NJKVSCIJJSZRER-OAQYLSRUSA-N 1 0 420.557 4.431 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000465443616 878874257 /nfs/dbraw/zinc/87/42/57/878874257.db2.gz PBDRVFYJEBZHGT-WXFUMESZSA-N 1 0 402.542 4.305 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000465617349 879118480 /nfs/dbraw/zinc/11/84/80/879118480.db2.gz ZUWGAABVDFDFID-RPWUZVMVSA-N 1 0 402.542 4.264 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000465617348 879118831 /nfs/dbraw/zinc/11/88/31/879118831.db2.gz ZUWGAABVDFDFID-DNQXCXABSA-N 1 0 402.542 4.264 20 30 HIEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000465645576 879165033 /nfs/dbraw/zinc/16/50/33/879165033.db2.gz IQWFDMNPJLDMTN-ZEQRLZLVSA-N 1 0 420.532 4.271 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000466106440 879822305 /nfs/dbraw/zinc/82/23/05/879822305.db2.gz RZTPAAINTRHKJP-IFMALSPDSA-N 1 0 408.571 4.400 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2cc(F)cc(Br)c2)CC1 ZINC000466225448 879925248 /nfs/dbraw/zinc/92/52/48/879925248.db2.gz ZLCDZUZSEBQERN-GOSISDBHSA-N 1 0 410.331 4.085 20 30 HIEDRO Cc1ccccc1[C@H]1C[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000466393751 880156813 /nfs/dbraw/zinc/15/68/13/880156813.db2.gz VPDQWUHYICDKPI-YHBQERECSA-N 1 0 402.542 4.030 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccncc2OCC(F)(F)F)c(-c2ccccc2)n1 ZINC000466418479 880191312 /nfs/dbraw/zinc/19/13/12/880191312.db2.gz XOZWVQROUSDMNY-UHFFFAOYSA-N 1 0 415.419 4.090 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+]C[C@]2(C)CCO[C@@H]2C2CC2)cc1OC ZINC000466461102 880241685 /nfs/dbraw/zinc/24/16/85/880241685.db2.gz BKEPZAPUCMNAAY-UXHICEINSA-N 1 0 410.352 4.317 20 30 HIEDRO C[C@H]1C[C@@H](CCNC(=O)Nc2ncccc2OCCCC#N)C[N@@H+]1Cc1ccccc1 ZINC000466608345 880377959 /nfs/dbraw/zinc/37/79/59/880377959.db2.gz HOYAMALCMQKKGH-PZJWPPBQSA-N 1 0 421.545 4.186 20 30 HIEDRO N#CCCCOc1cccnc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000466611532 880381474 /nfs/dbraw/zinc/38/14/74/880381474.db2.gz VAPIKLIVIFGASW-SEJPIABJSA-N 1 0 419.529 4.081 20 30 HIEDRO CC1CC[NH+](Cc2ccc(CNC(=O)Nc3ncccc3OCCCC#N)cc2)CC1 ZINC000466619519 880390059 /nfs/dbraw/zinc/39/00/59/880390059.db2.gz JRIXJNHFVNMWAY-UHFFFAOYSA-N 1 0 421.545 4.318 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)Nc2ncccc2OCCCC#N)cc1 ZINC000466628107 880400736 /nfs/dbraw/zinc/40/07/36/880400736.db2.gz OXQKBHFKBWWZMN-IBGZPJMESA-N 1 0 421.545 4.460 20 30 HIEDRO COc1ccc(C2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3OC)CC2)cc1 ZINC000466746610 880528304 /nfs/dbraw/zinc/52/83/04/880528304.db2.gz VYVWIVSOKURSTI-IBGZPJMESA-N 1 0 421.541 4.219 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(Cc3ccn(-c4ccc(Cl)cc4)n3)CC2)cc1 ZINC000466835705 880604161 /nfs/dbraw/zinc/60/41/61/880604161.db2.gz OAVSOBCPGLLQPU-UHFFFAOYSA-N 1 0 405.933 4.105 20 30 HIEDRO COCC[C@H]1CCCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 ZINC000467281602 881027787 /nfs/dbraw/zinc/02/77/87/881027787.db2.gz WNDHMOJRZUOQHK-IAGOWNOFSA-N 1 0 403.592 4.212 20 30 HIEDRO C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(OC4CCCC4)CC3)sc2C1 ZINC000503582087 912668505 /nfs/dbraw/zinc/66/85/05/912668505.db2.gz VIGJPUSJNNDQNE-MRXNPFEDSA-N 1 0 415.603 4.497 20 30 HIEDRO N#Cc1ccc([C@H]([NH2+]CC2(c3cc(C(F)(F)F)ccc3Cl)CC2)C(N)=O)cc1 ZINC000469216637 883315619 /nfs/dbraw/zinc/31/56/19/883315619.db2.gz IIWCHNQMOGURRY-KRWDZBQOSA-N 1 0 407.823 4.078 20 30 HIEDRO COc1ccc(C#N)cc1NC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469667536 883859537 /nfs/dbraw/zinc/85/95/37/883859537.db2.gz QSCDXPDHPHPRKN-QGZVFWFLSA-N 1 0 406.408 4.010 20 30 HIEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2cn(CCCC#N)c3ccccc23)CC1 ZINC000469699577 883877947 /nfs/dbraw/zinc/87/79/47/883877947.db2.gz IRIFMUKFAIFTPP-LJQANCHMSA-N 1 0 415.541 4.295 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1 ZINC000469841640 884021809 /nfs/dbraw/zinc/02/18/09/884021809.db2.gz MDDRRKCUERMLIN-UHFFFAOYSA-N 1 0 402.445 4.456 20 30 HIEDRO CC(C)[NH+](CCCNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)C(C)C ZINC000470495211 884882102 /nfs/dbraw/zinc/88/21/02/884882102.db2.gz SQPMJGWBRUAKON-UHFFFAOYSA-N 1 0 400.445 4.130 20 30 HIEDRO Cc1ccc(-c2ncc(C[NH2+][C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)s2)cc1 ZINC000503951531 912880278 /nfs/dbraw/zinc/88/02/78/912880278.db2.gz KKERTDXMACBZKU-OAQYLSRUSA-N 1 0 402.523 4.275 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCSc4c(F)cccc43)CC2)cc1 ZINC000503970175 912890181 /nfs/dbraw/zinc/89/01/81/912890181.db2.gz QHGFLSQRQBQJGD-NRFANRHFSA-N 1 0 424.545 4.152 20 30 HIEDRO CC[NH+](CC)[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1 ZINC000470779921 885250301 /nfs/dbraw/zinc/25/03/01/885250301.db2.gz PZBOMERXMWWBJO-XMMPIXPASA-N 1 0 418.541 4.291 20 30 HIEDRO CC[NH+](CC)[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)c1ccccc1 ZINC000470779920 885251500 /nfs/dbraw/zinc/25/15/00/885251500.db2.gz PZBOMERXMWWBJO-DEOSSOPVSA-N 1 0 418.541 4.291 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)c1C#N ZINC000470943964 885442524 /nfs/dbraw/zinc/44/25/24/885442524.db2.gz FUHRXKVFEXUZGI-CRAIPNDOSA-N 1 0 422.451 4.219 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@H+](CCCO)[C@@H]2CCCc3ccccc32)c1C ZINC000471047112 885558315 /nfs/dbraw/zinc/55/83/15/885558315.db2.gz KSGLEEROVDPUJO-RUZDIDTESA-N 1 0 419.569 4.312 20 30 HIEDRO C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@H](c1ccccc1)[NH+](C)C ZINC000471578166 886289062 /nfs/dbraw/zinc/28/90/62/886289062.db2.gz OHMALFSLIASSNW-UZUQRXQVSA-N 1 0 403.482 4.151 20 30 HIEDRO CC[NH+](CC)[C@@H](CNc1nccc(C#N)c1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000471619663 886338139 /nfs/dbraw/zinc/33/81/39/886338139.db2.gz QCDHOYHCBPHUAN-INIZCTEOSA-N 1 0 407.396 4.375 20 30 HIEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000471745950 886472263 /nfs/dbraw/zinc/47/22/63/886472263.db2.gz JOYVMFCDVCINKS-UMEGOILYSA-N 1 0 414.553 4.035 20 30 HIEDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 ZINC000471745948 886472882 /nfs/dbraw/zinc/47/28/82/886472882.db2.gz JOYVMFCDVCINKS-FHAGJXEFSA-N 1 0 414.553 4.035 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000471748114 886474193 /nfs/dbraw/zinc/47/41/93/886474193.db2.gz XHMPNEFQFHASIE-UHFFFAOYSA-N 1 0 409.839 4.434 20 30 HIEDRO C=C(C)CN(Cc1ccccc1)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000471811075 886550708 /nfs/dbraw/zinc/55/07/08/886550708.db2.gz NALPDMRHWZYOQU-FQEVSTJZSA-N 1 0 424.564 4.426 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCS[C@H](C(C)C)C2)c1C#N ZINC000472243126 887053352 /nfs/dbraw/zinc/05/33/52/887053352.db2.gz QTNHLTURGOMTMW-FQEVSTJZSA-N 1 0 414.575 4.020 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000472455379 887309538 /nfs/dbraw/zinc/30/95/38/887309538.db2.gz QBVDKRQIDNMLQD-IBGZPJMESA-N 1 0 422.598 4.033 20 30 HIEDRO CCO[C@H]1C[C@@H](O)C12CC[NH+](CCC(C#N)(c1ccccc1)c1ccccc1)CC2 ZINC000472602386 887474720 /nfs/dbraw/zinc/47/47/20/887474720.db2.gz IXRBEWYFGTWNGJ-RPWUZVMVSA-N 1 0 404.554 4.138 20 30 HIEDRO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)C1 ZINC000472697089 887549873 /nfs/dbraw/zinc/54/98/73/887549873.db2.gz HGBORKRTABTMQI-HSZRJFAPSA-N 1 0 422.529 4.315 20 30 HIEDRO Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000504434115 913245278 /nfs/dbraw/zinc/24/52/78/913245278.db2.gz BGRAARIIJMEDAX-NRFANRHFSA-N 1 0 408.546 4.247 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000473818222 888647422 /nfs/dbraw/zinc/64/74/22/888647422.db2.gz NBCSLMHTBPJTIP-UHFFFAOYSA-N 1 0 408.546 4.057 20 30 HIEDRO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cc2cccc(F)c2o1 ZINC000473867463 888724723 /nfs/dbraw/zinc/72/47/23/888724723.db2.gz UPYZZYDZNNTQHR-KRWDZBQOSA-N 1 0 420.488 4.422 20 30 HIEDRO C=CCOc1ccc(C[N@@H+](CC(=O)Nc2cccc(C(=O)N(C)C)c2)C(C)(C)C)cc1 ZINC000474170293 889007859 /nfs/dbraw/zinc/00/78/59/889007859.db2.gz PPZKYUYDTRSGPA-UHFFFAOYSA-N 1 0 423.557 4.192 20 30 HIEDRO C[NH+]1CCC2(CC1)C[C@H](NC(=O)C[C@H](CC#N)c1ccccc1)c1ccccc1O2 ZINC000474787528 889645404 /nfs/dbraw/zinc/64/54/04/889645404.db2.gz KTKGRFHTJRWWBC-UNMCSNQZSA-N 1 0 403.526 4.178 20 30 HIEDRO Cc1cccc(N2CC[NH+](Cc3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3)CC2)c1 ZINC000504671599 913410159 /nfs/dbraw/zinc/41/01/59/913410159.db2.gz YWJXCRJPWLNPCG-UHFFFAOYSA-N 1 0 424.548 4.370 20 30 HIEDRO CN(C(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475323647 890243565 /nfs/dbraw/zinc/24/35/65/890243565.db2.gz YSUVIJAVVSAQBP-NRFANRHFSA-N 1 0 415.493 4.077 20 30 HIEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)c1ccc(C(C)(C)C#N)cc1 ZINC000475525794 890450181 /nfs/dbraw/zinc/45/01/81/890450181.db2.gz DBVVSQJJGNFVSD-UHFFFAOYSA-N 1 0 403.530 4.432 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000475567645 890497573 /nfs/dbraw/zinc/49/75/73/890497573.db2.gz LIHNLYIHQNRDHU-VWLOTQADSA-N 1 0 407.558 4.297 20 30 HIEDRO CC(C)(C#N)c1ccc(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000475761250 890708139 /nfs/dbraw/zinc/70/81/39/890708139.db2.gz RKCMANUOIQFMJZ-UHFFFAOYSA-N 1 0 424.976 4.083 20 30 HIEDRO N#Cc1ccc(CN(C(=O)[C@H]2C[N@@H+](Cc3ccccc3)CCC2(F)F)C2CC2)cc1 ZINC000504839498 913562366 /nfs/dbraw/zinc/56/23/66/913562366.db2.gz BQOPSMROFKGGET-JOCHJYFZSA-N 1 0 409.480 4.207 20 30 HIEDRO COc1cccc([C@H]2[C@H](NC(=O)c3ccc(C(C)(C)C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000476599378 891534112 /nfs/dbraw/zinc/53/41/12/891534112.db2.gz QHJSMTMCPFIKFA-PKTZIBPZSA-N 1 0 403.526 4.204 20 30 HIEDRO C=C(C)[C@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)c1ccc(F)c(F)c1 ZINC000476846007 891819825 /nfs/dbraw/zinc/81/98/25/891819825.db2.gz MARMLASEPHLNNO-NRFANRHFSA-N 1 0 403.473 4.022 20 30 HIEDRO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000476994575 891921572 /nfs/dbraw/zinc/92/15/72/891921572.db2.gz KNLAIZMWAALBHY-IAGOWNOFSA-N 1 0 421.932 4.460 20 30 HIEDRO N#Cc1ccc(NC(=O)C[NH2+]C2(c3ccc(Br)cc3)CC2)cc1Cl ZINC000477437383 892387883 /nfs/dbraw/zinc/38/78/83/892387883.db2.gz POVVZZLANHRUAC-UHFFFAOYSA-N 1 0 404.695 4.192 20 30 HIEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H]2CCCc3nc(CC)sc32)c(OC)c1 ZINC000478036484 893167757 /nfs/dbraw/zinc/16/77/57/893167757.db2.gz KZBAMUPKQUMVNP-PKOBYXMFSA-N 1 0 416.587 4.192 20 30 HIEDRO Cn1cc(C[NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000478231055 893391509 /nfs/dbraw/zinc/39/15/09/893391509.db2.gz NYDGDWXILQQMAR-SFHVURJKSA-N 1 0 409.896 4.120 20 30 HIEDRO Cc1ccc(C[NH2+]Cc2cn(C)nc2-c2ccc(C#N)cc2)c(OC[C@H]2CCCO2)c1 ZINC000478252860 893429585 /nfs/dbraw/zinc/42/95/85/893429585.db2.gz LOWDZJDUYUMFSX-HSZRJFAPSA-N 1 0 416.525 4.115 20 30 HIEDRO C=CCOc1ccc(C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1OC ZINC000478352677 893602279 /nfs/dbraw/zinc/60/22/79/893602279.db2.gz GWLZOKZWAZISAS-LJQANCHMSA-N 1 0 400.563 4.377 20 30 HIEDRO N#Cc1ccccc1Oc1ccccc1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000479053193 894312150 /nfs/dbraw/zinc/31/21/50/894312150.db2.gz WFXINASVHWIZCK-UGKGYDQZSA-N 1 0 401.510 4.439 20 30 HIEDRO N#CC1(NC(=O)CSCc2cccc(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479210470 894474001 /nfs/dbraw/zinc/47/40/01/894474001.db2.gz CVZDDOVOIPKQAH-UHFFFAOYSA-N 1 0 413.974 4.248 20 30 HIEDRO C[C@H](CSCc1ccccc1)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479218184 894482620 /nfs/dbraw/zinc/48/26/20/894482620.db2.gz PSFZJZKBBXIUMN-HXUWFJFHSA-N 1 0 407.583 4.230 20 30 HIEDRO N#CC1(NC(=O)C[C@H](c2ccccc2)C(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000479236696 894498496 /nfs/dbraw/zinc/49/84/96/894498496.db2.gz AXGNPCPCOXYORY-HXUWFJFHSA-N 1 0 415.459 4.397 20 30 HIEDRO Cc1cc(Br)ccc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479248773 894512077 /nfs/dbraw/zinc/51/20/77/894512077.db2.gz QQPOWHPMCQBXMS-UHFFFAOYSA-N 1 0 412.331 4.046 20 30 HIEDRO C[C@@H](Sc1ccccc1Cl)C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479254920 894520774 /nfs/dbraw/zinc/52/07/74/894520774.db2.gz YYQPLCUXAGGBPM-QGZVFWFLSA-N 1 0 413.974 4.495 20 30 HIEDRO Cc1nc(-c2ccccc2)ccc1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479279127 894556099 /nfs/dbraw/zinc/55/60/99/894556099.db2.gz IUNCPQLSOMQKBI-UHFFFAOYSA-N 1 0 410.521 4.345 20 30 HIEDRO COc1cc2c(NCCCc3nn(-c4ccccc4)c(N)c3C#N)cc[nH+]c2cc1F ZINC000479909317 895257325 /nfs/dbraw/zinc/25/73/25/895257325.db2.gz ITAIWBIWOXQLGQ-UHFFFAOYSA-N 1 0 416.460 4.067 20 30 HIEDRO COc1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)cc1OCCCC#N ZINC000480046474 895395371 /nfs/dbraw/zinc/39/53/71/895395371.db2.gz SVLWZHGFVLYNRR-NZQKXSOJSA-N 1 0 415.484 4.191 20 30 HIEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc(Br)c(Cl)s3)C2=O)cc1 ZINC000480309761 895711918 /nfs/dbraw/zinc/71/19/18/895711918.db2.gz UARGITSNMWPWHW-OAHLLOKOSA-N 1 0 424.751 4.321 20 30 HIEDRO CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000480370677 895778349 /nfs/dbraw/zinc/77/83/49/895778349.db2.gz YTVGRARTLPRMPR-UHFFFAOYSA-N 1 0 414.941 4.127 20 30 HIEDRO COc1ccccc1[C@@H](CNC(=O)C(C)(C)Oc1ccc(C#N)cc1)[NH+]1CCCCC1 ZINC000480509990 895877143 /nfs/dbraw/zinc/87/71/43/895877143.db2.gz NRVWQHJBBYDSEF-JOCHJYFZSA-N 1 0 421.541 4.068 20 30 HIEDRO N#Cc1cccc(C[NH2+][C@@H]2CCCOc3ccc(I)cc32)c1 ZINC000480811425 896180576 /nfs/dbraw/zinc/18/05/76/896180576.db2.gz ICYFMRRSHNYDTB-QGZVFWFLSA-N 1 0 404.251 4.166 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481169833 896504935 /nfs/dbraw/zinc/50/49/35/896504935.db2.gz GHUMOXXCFPELLU-WIOPSUGQSA-N 1 0 418.585 4.050 20 30 HIEDRO N#Cc1cccc(COc2ccc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cc2F)c1 ZINC000481621522 897004283 /nfs/dbraw/zinc/00/42/83/897004283.db2.gz HLBQWQJQHVNEAP-OAQYLSRUSA-N 1 0 422.504 4.368 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000481647568 897033525 /nfs/dbraw/zinc/03/35/25/897033525.db2.gz UGTWGJXQVRSJPT-XMMPIXPASA-N 1 0 423.582 4.290 20 30 HIEDRO COc1cc(OC)cc(N2CC[C@H](C[NH2+][C@@H]3CCCCc4cc(C#N)ccc43)C2)c1 ZINC000481676761 897060894 /nfs/dbraw/zinc/06/08/94/897060894.db2.gz ZGUOWUNJNFUZSM-KBMIEXCESA-N 1 0 405.542 4.459 20 30 HIEDRO COC(=O)c1ccc(COc2ccc(C[NH2+][C@@H](C)c3ccc(C#N)cc3)cc2OC)o1 ZINC000482200500 897678602 /nfs/dbraw/zinc/67/86/02/897678602.db2.gz TZXPPQNHWWEEHJ-INIZCTEOSA-N 1 0 420.465 4.376 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(F)(F)F)CC1 ZINC000482356720 897871449 /nfs/dbraw/zinc/87/14/49/897871449.db2.gz WCXIBBIBJHQHDD-HNNXBMFYSA-N 1 0 409.374 4.258 20 30 HIEDRO C=CCN1CCC([NH2+][C@H](C)c2sc(Cc3ccc(OC)c(OC)c3)nc2C)CC1 ZINC000482616012 898218443 /nfs/dbraw/zinc/21/84/43/898218443.db2.gz DXSURMJEWNRYAS-MRXNPFEDSA-N 1 0 415.603 4.361 20 30 HIEDRO COc1cccc([C@@H]2[C@@H](NC(=O)c3cccc(SCC#N)c3)CC[N@@H+]2C2CC2)c1 ZINC000482790692 898399421 /nfs/dbraw/zinc/39/94/21/898399421.db2.gz HUNFDVDJKYKFKU-FCHUYYIVSA-N 1 0 407.539 4.019 20 30 HIEDRO CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CSc1ccc(C#N)cc1 ZINC000482866721 898479484 /nfs/dbraw/zinc/47/94/84/898479484.db2.gz HBCZHRWXVRBGEG-JOCHJYFZSA-N 1 0 407.583 4.240 20 30 HIEDRO Cc1c([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)nnn1-c1ccc(F)cc1 ZINC000482887934 898504958 /nfs/dbraw/zinc/50/49/58/898504958.db2.gz LPQZCIFWVBGSLI-KXBFYZLASA-N 1 0 422.483 4.045 20 30 HIEDRO CC(C)C[C@@](C)([NH2+]CC(=O)N[C@](C)(C#N)C1CC1)c1cccc(Br)c1 ZINC000483058168 898734512 /nfs/dbraw/zinc/73/45/12/898734512.db2.gz IXTQBCHQCHVOHV-WOJBJXKFSA-N 1 0 406.368 4.108 20 30 HIEDRO CCCC[C@@](C)([NH2+]CC(=O)N[C@@](C)(C#N)C1CC1)c1cccc(Br)c1 ZINC000483088261 898773508 /nfs/dbraw/zinc/77/35/08/898773508.db2.gz KNCYZGXTIOPNMI-UXHICEINSA-N 1 0 406.368 4.253 20 30 HIEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)c2)c1 ZINC000483230676 898874254 /nfs/dbraw/zinc/87/42/54/898874254.db2.gz PKCHLFOSPCUVBM-HXUWFJFHSA-N 1 0 416.525 4.404 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)CN(C)[C@@H](C)c2ccc(F)c(F)c2)cc1 ZINC000505591946 914296966 /nfs/dbraw/zinc/29/69/66/914296966.db2.gz VWZWMKNRXCLAIK-INIZCTEOSA-N 1 0 401.457 4.303 20 30 HIEDRO CC[NH+](CC)Cc1cccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1 ZINC000505589464 914295136 /nfs/dbraw/zinc/29/51/36/914295136.db2.gz CIFYALALQRGJLU-UHFFFAOYSA-N 1 0 408.521 4.394 20 30 HIEDRO N#Cc1ccc(SCC(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)cc1 ZINC000483524670 899184935 /nfs/dbraw/zinc/18/49/35/899184935.db2.gz GNQMDKAOMBKGDH-UHFFFAOYSA-N 1 0 422.554 4.104 20 30 HIEDRO C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N(Cc1ccc(C#N)cc1)C1CC1)C1CC1 ZINC000483685798 899345483 /nfs/dbraw/zinc/34/54/83/899345483.db2.gz USPPNJSBDRCVOH-DEOSSOPVSA-N 1 0 402.542 4.143 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)c2)cc1 ZINC000505692084 914381820 /nfs/dbraw/zinc/38/18/20/914381820.db2.gz OWNDWTDHRHZLGD-XZOQPEGZSA-N 1 0 404.514 4.080 20 30 HIEDRO COc1ccc(C#N)cc1C[NH+]1CCC(c2noc(-c3ccccc3OC)n2)CC1 ZINC000484330869 899883930 /nfs/dbraw/zinc/88/39/30/899883930.db2.gz UZZQCKPOTLSWDG-UHFFFAOYSA-N 1 0 404.470 4.005 20 30 HIEDRO N#Cc1ccc(SCC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)cc1 ZINC000484694661 900130456 /nfs/dbraw/zinc/13/04/56/900130456.db2.gz JDLRZOWWUWPMCZ-LJQANCHMSA-N 1 0 417.937 4.396 20 30 HIEDRO COCCSc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 ZINC000485324235 900606631 /nfs/dbraw/zinc/60/66/31/900606631.db2.gz VTTWILACCCETBT-JTSKRJEESA-N 1 0 409.555 4.143 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000485330728 900615394 /nfs/dbraw/zinc/61/53/94/900615394.db2.gz LKTFUJGHSGNYGI-QRWLVFNGSA-N 1 0 417.431 4.346 20 30 HIEDRO C=CCSc1ccccc1C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000485467046 900761658 /nfs/dbraw/zinc/76/16/58/900761658.db2.gz PKRVMXXYUWSTGW-RTBURBONSA-N 1 0 402.604 4.316 20 30 HIEDRO C[NH+](C)CCOc1ccccc1CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000486070572 901264010 /nfs/dbraw/zinc/26/40/10/901264010.db2.gz PELIYPPRXPUANW-UHFFFAOYSA-N 1 0 415.493 4.221 20 30 HIEDRO Cc1c2cc(C#N)ccc2sc1C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000486473310 901632717 /nfs/dbraw/zinc/63/27/17/901632717.db2.gz QBJCWAMDJFEAAN-MRXNPFEDSA-N 1 0 404.539 4.432 20 30 HIEDRO COc1cc(C#N)ccc1C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486830764 901882700 /nfs/dbraw/zinc/88/27/00/901882700.db2.gz APESFZZTSRJKIH-HYBUGGRVSA-N 1 0 400.482 4.171 20 30 HIEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1 ZINC000486897020 901940771 /nfs/dbraw/zinc/94/07/71/901940771.db2.gz RZCBHSLICBMASX-SFHVURJKSA-N 1 0 407.823 4.121 20 30 HIEDRO Cc1nc(SCC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c(C#N)c(C)c1C ZINC000505953181 914608226 /nfs/dbraw/zinc/60/82/26/914608226.db2.gz LQRIROLNYBVYTF-JXFKEZNVSA-N 1 0 414.619 4.084 20 30 HIEDRO CC[N@@H+]1CCC[C@@H](CN(C)c2c(C#N)cnc3ccc(C)cc32)[C@@H]1c1cnn(C)c1 ZINC000487716793 902313694 /nfs/dbraw/zinc/31/36/94/902313694.db2.gz DFTDBOWPUBVCSE-FDDCHVKYSA-N 1 0 402.546 4.058 20 30 HIEDRO CC[N@H+](C)Cc1cccc(CNC(=O)Nc2ccc(C#N)c(Br)c2)c1 ZINC000487871835 902417763 /nfs/dbraw/zinc/41/77/63/902417763.db2.gz CXOCCNYPXRCURP-UHFFFAOYSA-N 1 0 401.308 4.094 20 30 HIEDRO COc1cccc([C@@H]2[C@H](NC(=O)N[C@@H](CCC#N)c3ccccc3)CC[N@@H+]2C2CC2)c1 ZINC000487935042 902463644 /nfs/dbraw/zinc/46/36/44/902463644.db2.gz MANSBFXAKQMWLG-RBZQAINGSA-N 1 0 418.541 4.317 20 30 HIEDRO C[C@@H](NC(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000487965064 902490914 /nfs/dbraw/zinc/49/09/14/902490914.db2.gz DEWKCNUJAPMQMF-HIFRSBDPSA-N 1 0 405.340 4.095 20 30 HIEDRO C=CCC[C@@H](O)C[NH+]1CCC(c2nc(-c3ccccc3Br)no2)CC1 ZINC000488187582 902673419 /nfs/dbraw/zinc/67/34/19/902673419.db2.gz VRASWWNXXDFAKV-OAHLLOKOSA-N 1 0 406.324 4.006 20 30 HIEDRO CCC1CCC([N@H+](CCO)CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 ZINC000488243680 902717957 /nfs/dbraw/zinc/71/79/57/902717957.db2.gz NLUHWADWUZUYFE-VIQWUECVSA-N 1 0 403.592 4.140 20 30 HIEDRO COc1ccc2oc([C@@H](C)[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c(C)c2c1 ZINC000488468934 902841162 /nfs/dbraw/zinc/84/11/62/902841162.db2.gz TWOCAZFHRFEFKU-IIBYNOLFSA-N 1 0 403.482 4.073 20 30 HIEDRO CCOc1cccc2cc([C@H](C)[NH2+][C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)oc21 ZINC000488469588 902842085 /nfs/dbraw/zinc/84/20/85/902842085.db2.gz ZBEUOGXSSPIPEX-OXJNMPFZSA-N 1 0 403.482 4.155 20 30 HIEDRO CCCCOc1ccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000488487553 902850471 /nfs/dbraw/zinc/85/04/71/902850471.db2.gz OXRQPSDYNVMZMT-PGRDOPGGSA-N 1 0 421.541 4.197 20 30 HIEDRO CCCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000488487555 902850678 /nfs/dbraw/zinc/85/06/78/902850678.db2.gz OXRQPSDYNVMZMT-XMSQKQJNSA-N 1 0 421.541 4.197 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CC[N@H+](C)Cc3ccc(F)c(F)c3)sc2C1 ZINC000488497993 902856026 /nfs/dbraw/zinc/85/60/26/902856026.db2.gz VFOMCHLOSBEKQW-ZDUSSCGKSA-N 1 0 403.498 4.483 20 30 HIEDRO C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C[C@@H](C)C1 ZINC000489908268 903667477 /nfs/dbraw/zinc/66/74/77/903667477.db2.gz FLVNCAVNUOCBFF-GLDPYIMESA-N 1 0 402.542 4.097 20 30 HIEDRO C[NH+]1CCC(n2ccc(NC(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)n2)CC1 ZINC000490023097 903727759 /nfs/dbraw/zinc/72/77/59/903727759.db2.gz ULHSOKFLYGJWGX-UHFFFAOYSA-N 1 0 419.460 4.205 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490368674 903961572 /nfs/dbraw/zinc/96/15/72/903961572.db2.gz MSJIEJIGAOBFGU-NQIIRXRSSA-N 1 0 406.530 4.378 20 30 HIEDRO Cn1cc(C[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)c(-c2ccc(C#N)cc2)n1 ZINC000491182181 904468728 /nfs/dbraw/zinc/46/87/28/904468728.db2.gz IHXMPNIKZIKIRG-UHFFFAOYSA-N 1 0 410.525 4.413 20 30 HIEDRO C[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CCN1Cc1ccccc1 ZINC000491227276 904489872 /nfs/dbraw/zinc/48/98/72/904489872.db2.gz AZURVCONDFJIFB-NBGIEHNGSA-N 1 0 413.569 4.444 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1C#N ZINC000493924342 905275347 /nfs/dbraw/zinc/27/53/47/905275347.db2.gz CLNQPXKALVIADU-QUCCMNQESA-N 1 0 406.530 4.378 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)c1C#N ZINC000512419752 921148494 /nfs/dbraw/zinc/14/84/94/921148494.db2.gz BWZGPUUPBLGEGA-OXQOHEQNSA-N 1 0 400.567 4.046 20 30 HIEDRO CC[N@H+](CCNC(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F)CCC(F)(F)F ZINC000494637936 905877137 /nfs/dbraw/zinc/87/71/37/905877137.db2.gz OALBMZNUSHGLJZ-ZDUSSCGKSA-N 1 0 421.332 4.142 20 30 HIEDRO N#Cc1ccc(CN2CCCN(C(=O)c3cccc(Oc4ccncc4)c3)CC2)cc1 ZINC000494682239 905898075 /nfs/dbraw/zinc/89/80/75/905898075.db2.gz XPHFMZHEZQADAX-UHFFFAOYSA-N 1 0 412.493 4.094 20 30 HIEDRO N#CCCn1cc(C(=O)C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)c2ccccc21 ZINC000494915654 906087843 /nfs/dbraw/zinc/08/78/43/906087843.db2.gz DTSBGCFDZOPHBD-DEOSSOPVSA-N 1 0 415.537 4.500 20 30 HIEDRO N#Cc1cccc(NC(=O)C2CC[NH+](Cc3ccc(OC(F)F)c(F)c3)CC2)c1 ZINC000512627215 921266861 /nfs/dbraw/zinc/26/68/61/921266861.db2.gz BQXUXSBQGKFIIK-UHFFFAOYSA-N 1 0 403.404 4.149 20 30 HIEDRO CCOC(=O)[C@H]1C[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)Cc2ccccc21 ZINC000512663675 921280223 /nfs/dbraw/zinc/28/02/23/921280223.db2.gz OOHNKHNNCGLNRB-QHCPKHFHSA-N 1 0 414.509 4.126 20 30 HIEDRO CC[N@H+](CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)[C@@H](C)c1ccc(C#N)cc1 ZINC000497599744 907080197 /nfs/dbraw/zinc/08/01/97/907080197.db2.gz KPXQRNAZLLLUPL-MSOLQXFVSA-N 1 0 409.530 4.144 20 30 HIEDRO CC[N@H+](CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497620017 907098955 /nfs/dbraw/zinc/09/89/55/907098955.db2.gz MALJFIDIBQZUGX-KRWDZBQOSA-N 1 0 413.443 4.128 20 30 HIEDRO C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000497673171 907173743 /nfs/dbraw/zinc/17/37/43/907173743.db2.gz UTYUNRYQPQSEKD-KRWDZBQOSA-N 1 0 419.529 4.005 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)N[C@H]3CCCc4ccccc43)CC2)c(F)c1 ZINC000512832735 921335315 /nfs/dbraw/zinc/33/53/15/921335315.db2.gz JJRGBLSDWOTEGU-QHCPKHFHSA-N 1 0 421.516 4.124 20 30 HIEDRO CN1CCO[C@@H]([C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)c2ccc(Cl)cc2)C1 ZINC000498366733 907860737 /nfs/dbraw/zinc/86/07/37/907860737.db2.gz YWCFDITXJOJAGX-PKTZIBPZSA-N 1 0 413.949 4.184 20 30 HIEDRO CC#CCC[NH2+]Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(OC)c1 ZINC000499218010 908573697 /nfs/dbraw/zinc/57/36/97/908573697.db2.gz WZDBMOBGQATPLG-UHFFFAOYSA-N 1 0 404.869 4.008 20 30 HIEDRO N#C[C@@H](NC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccc(Br)cc1 ZINC000499386948 908748986 /nfs/dbraw/zinc/74/89/86/908748986.db2.gz FTNVQOSJOKBPHR-HXUWFJFHSA-N 1 0 412.331 4.430 20 30 HIEDRO N#C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccc(Br)cc1 ZINC000499397245 908758175 /nfs/dbraw/zinc/75/81/75/908758175.db2.gz WSQOTQYKPIQCOD-QUCCMNQESA-N 1 0 412.331 4.042 20 30 HIEDRO C[C@H]([NH2+]CCCC1(C#N)CCOCC1)c1nc(-c2ccc(Br)cc2)no1 ZINC000499623927 908859111 /nfs/dbraw/zinc/85/91/11/908859111.db2.gz GLEBRYGERKDVMW-AWEZNQCLSA-N 1 0 419.323 4.250 20 30 HIEDRO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2sc(-c3ccccc3Br)nc2C)C1=O ZINC000499625955 908859664 /nfs/dbraw/zinc/85/96/64/908859664.db2.gz NDYIYWPYHRRWES-BLLLJJGKSA-N 1 0 420.376 4.319 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C ZINC000500625830 909976053 /nfs/dbraw/zinc/97/60/53/909976053.db2.gz WCPKPBHFRYJDEM-BBTUJRGHSA-N 1 0 421.589 4.177 20 30 HIEDRO CC[NH+]1CCN(c2cccc(NC(=O)c3sc4ccc(C#N)cc4c3C)c2)CC1 ZINC000500857520 910132379 /nfs/dbraw/zinc/13/23/79/910132379.db2.gz GPVYQSCCWHMYJY-UHFFFAOYSA-N 1 0 404.539 4.476 20 30 HIEDRO COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccccc3)C2)cc1OCCCC#N ZINC000513107932 921556012 /nfs/dbraw/zinc/55/60/12/921556012.db2.gz YREYXXJZTRAJQM-OAQYLSRUSA-N 1 0 421.541 4.020 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc(C(=O)N2CCCC2)c1C)C(C)C ZINC000501169819 910339004 /nfs/dbraw/zinc/33/90/04/910339004.db2.gz UWQYOHMWSUANPL-JOCHJYFZSA-N 1 0 412.578 4.051 20 30 HIEDRO COC(=O)C[C@](C)([NH2+]Cc1ccc(F)c(C#N)c1)c1ccc(Br)cc1 ZINC000513134012 921576862 /nfs/dbraw/zinc/57/68/62/921576862.db2.gz RMSUWGXHNHYYRT-IBGZPJMESA-N 1 0 405.267 4.028 20 30 HIEDRO COc1cc(C#N)ccc1C[NH+]1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000501228081 910387725 /nfs/dbraw/zinc/38/77/25/910387725.db2.gz OPFDCCFNVYNIEP-UHFFFAOYSA-N 1 0 401.869 4.210 20 30 HIEDRO COC(=O)C[C@@](C)([NH2+]Cc1ccc(C#N)c(F)c1)c1ccc(Br)cc1 ZINC000513151570 921586154 /nfs/dbraw/zinc/58/61/54/921586154.db2.gz YSUBVGUHSOIQKP-LJQANCHMSA-N 1 0 405.267 4.028 20 30 HIEDRO CSc1ccccc1[C@@H](C)[NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000501575918 910683865 /nfs/dbraw/zinc/68/38/65/910683865.db2.gz CAOURAKGMLVQCU-OAHLLOKOSA-N 1 0 406.473 4.246 20 30 HIEDRO C=C(C)[C@H](NC(=O)N[C@H](C[NH+](C)C)c1ccc(OC)cc1)c1ccc(F)c(F)c1 ZINC000502014767 910978951 /nfs/dbraw/zinc/97/89/51/910978951.db2.gz GEUZBUOWRVCCJY-RTWAWAEBSA-N 1 0 403.473 4.193 20 30 HIEDRO N#Cc1ccccc1OCc1cccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000513214519 921629404 /nfs/dbraw/zinc/62/94/04/921629404.db2.gz YOFQDTDRVZUPBV-QHCPKHFHSA-N 1 0 403.526 4.228 20 30 HIEDRO C[C@H](c1nc(-c2cccs2)no1)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000502205054 911150298 /nfs/dbraw/zinc/15/02/98/911150298.db2.gz IAEINJITTYAMDN-CQSZACIVSA-N 1 0 407.499 4.081 20 30 HIEDRO CSc1nc(C2CC2)cc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1C#N ZINC000502305863 911269388 /nfs/dbraw/zinc/26/93/88/911269388.db2.gz BSYDESITJFCAMC-UHFFFAOYSA-N 1 0 412.603 4.325 20 30 HIEDRO N#CCCn1cc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)c(-c2ccccc2)n1 ZINC000502328588 911305438 /nfs/dbraw/zinc/30/54/38/911305438.db2.gz WHXKHGMZIXKJIF-OAQYLSRUSA-N 1 0 414.557 4.376 20 30 HIEDRO CC1CC[NH+](C2CCC(NC(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000502471626 911463245 /nfs/dbraw/zinc/46/32/45/911463245.db2.gz JQOMLVJKFZBXFK-UHFFFAOYSA-N 1 0 421.507 4.399 20 30 HIEDRO CN(C(=O)NCCSCc1ccccc1C#N)C1CC[NH+](Cc2ccccc2)CC1 ZINC000502835112 911848617 /nfs/dbraw/zinc/84/86/17/911848617.db2.gz XUXNWUXYAQGKEL-UHFFFAOYSA-N 1 0 422.598 4.097 20 30 HIEDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)ccc1OCc1cccc(C#N)c1 ZINC000503077361 912048200 /nfs/dbraw/zinc/04/82/00/912048200.db2.gz UEIOKOFSQKOVHZ-WMZHIEFXSA-N 1 0 416.525 4.425 20 30 HIEDRO C[C@@H](CNc1c(C#N)cnc2ccc(OC(F)F)cc21)[N@@H+]1CCc2sccc2C1 ZINC000507096862 915867088 /nfs/dbraw/zinc/86/70/88/915867088.db2.gz BBIPSECWIWUTHB-ZDUSSCGKSA-N 1 0 414.481 4.050 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC000507185271 915932089 /nfs/dbraw/zinc/93/20/89/915932089.db2.gz ZQPVHHKYVRVFRU-UHFFFAOYSA-N 1 0 420.395 4.379 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)CN(C)C[C@@H]2OCCc3ccccc32)ccc1Cl ZINC000507274143 916037927 /nfs/dbraw/zinc/03/79/27/916037927.db2.gz NBQHCUVXEANOJI-QFIPXVFZSA-N 1 0 411.933 4.141 20 30 HIEDRO Cc1cc(C(=O)N2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)nn1-c1cccc(C#N)c1 ZINC000507302887 916066197 /nfs/dbraw/zinc/06/61/97/916066197.db2.gz JTXACHQNLZOGLT-IBGZPJMESA-N 1 0 419.573 4.169 20 30 HIEDRO Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000507424207 916194331 /nfs/dbraw/zinc/19/43/31/916194331.db2.gz TVSHAOXNJJTBIJ-QRWLVFNGSA-N 1 0 417.538 4.231 20 30 HIEDRO Cc1sc(Br)c(C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1C ZINC000507536623 916292878 /nfs/dbraw/zinc/29/28/78/916292878.db2.gz XHZYTLZKYZXEJD-UHFFFAOYSA-N 1 0 420.376 4.203 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)CC1 ZINC000507631300 916390890 /nfs/dbraw/zinc/39/08/90/916390890.db2.gz YBXSJCJMTCAOKN-QWJQGLKASA-N 1 0 417.553 4.089 20 30 HIEDRO Cc1ccc([C@@H](CN2CCOCC2)[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1 ZINC000507634187 916392962 /nfs/dbraw/zinc/39/29/62/916392962.db2.gz FESOQXGYRJMTRC-GXUWAKPLSA-N 1 0 403.570 4.362 20 30 HIEDRO COc1ccc(C[NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)c(Cl)c1OC ZINC000507766600 916553272 /nfs/dbraw/zinc/55/32/72/916553272.db2.gz LSRWNLGUVSAPAC-UHFFFAOYSA-N 1 0 401.894 4.104 20 30 HIEDRO COc1ccc(Br)cc1C[NH2+]C1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000507769809 916555080 /nfs/dbraw/zinc/55/50/80/916555080.db2.gz JYASSAYUQUHEFR-UHFFFAOYSA-N 1 0 416.319 4.204 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3Cl)CC2)cc1 ZINC000507848631 916667484 /nfs/dbraw/zinc/66/74/84/916667484.db2.gz PNHXXVKXNMGLAW-QGZVFWFLSA-N 1 0 421.324 4.148 20 30 HIEDRO C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000507885590 916729300 /nfs/dbraw/zinc/72/93/00/916729300.db2.gz DTVHPVPGYXJWQQ-QGZVFWFLSA-N 1 0 405.523 4.066 20 30 HIEDRO C=C(C)COc1cc(C[N@@H+]2CCC[C@@H](C(=O)Nc3cccc(C)n3)C2)ccc1OC ZINC000508038766 916867611 /nfs/dbraw/zinc/86/76/11/916867611.db2.gz NNXKPYZFVVJTKI-HXUWFJFHSA-N 1 0 409.530 4.204 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000508252604 917071947 /nfs/dbraw/zinc/07/19/47/917071947.db2.gz QBFIFUHQXVVIFR-PMACEKPBSA-N 1 0 406.486 4.107 20 30 HIEDRO CC1(C#N)CCN(C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000508306191 917115234 /nfs/dbraw/zinc/11/52/34/917115234.db2.gz ZPAXZEUKETYCIJ-UHFFFAOYSA-N 1 0 404.558 4.414 20 30 HIEDRO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508461208 917245495 /nfs/dbraw/zinc/24/54/95/917245495.db2.gz JVVAAXMPSWQLAL-INIZCTEOSA-N 1 0 403.933 4.236 20 30 HIEDRO C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508462915 917247902 /nfs/dbraw/zinc/24/79/02/917247902.db2.gz BGNZSKUDZLMDGA-UHFFFAOYSA-N 1 0 409.578 4.149 20 30 HIEDRO CC(C)[NH+](CCN(C)C(=O)NC1CCC(Oc2ccccc2C#N)CC1)C(C)C ZINC000508493607 917278234 /nfs/dbraw/zinc/27/82/34/917278234.db2.gz COJCFONQCUJTHB-UHFFFAOYSA-N 1 0 400.567 4.008 20 30 HIEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000508504347 917289458 /nfs/dbraw/zinc/28/94/58/917289458.db2.gz KDMQSBITVCRAMY-FQEVSTJZSA-N 1 0 416.573 4.300 20 30 HIEDRO C=CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508746876 917505567 /nfs/dbraw/zinc/50/55/67/917505567.db2.gz LLKUNDQOBKUVNS-GOSISDBHSA-N 1 0 413.541 4.198 20 30 HIEDRO C=CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508857855 917611727 /nfs/dbraw/zinc/61/17/27/917611727.db2.gz PXNCWDAKIJJMLV-UHFFFAOYSA-N 1 0 417.504 4.187 20 30 HIEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000508879564 917632831 /nfs/dbraw/zinc/63/28/31/917632831.db2.gz GMDUAFPBGRIGKO-NRFANRHFSA-N 1 0 404.562 4.095 20 30 HIEDRO C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000508895019 917651087 /nfs/dbraw/zinc/65/10/87/917651087.db2.gz MTCJCSBTPRJIMC-RTBURBONSA-N 1 0 424.549 4.130 20 30 HIEDRO CC(C)(C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)c1cc(F)cc(C#N)c1 ZINC000508913899 917670133 /nfs/dbraw/zinc/67/01/33/917670133.db2.gz JJUQHCLPULPLMG-UHFFFAOYSA-N 1 0 405.517 4.024 20 30 HIEDRO C=CCn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508930995 917689988 /nfs/dbraw/zinc/68/99/88/917689988.db2.gz GINGHLNOXMPXFE-AZUAARDMSA-N 1 0 403.530 4.330 20 30 HIEDRO C=CCn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000508936651 917693486 /nfs/dbraw/zinc/69/34/86/917693486.db2.gz SLMLNAOAPRVTTQ-YWZLYKJASA-N 1 0 415.944 4.377 20 30 HIEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000509014530 917767424 /nfs/dbraw/zinc/76/74/24/917767424.db2.gz XOKXDXHWPQOUJF-QKNQBKEWSA-N 1 0 401.599 4.043 20 30 HIEDRO Cc1nc(NC(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)sc1SCC#N ZINC000509077343 917822731 /nfs/dbraw/zinc/82/27/31/917822731.db2.gz JPMAOAFLJJDANS-OAHLLOKOSA-N 1 0 422.526 4.163 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN3C[C@@H](C)[N@H+](C)C[C@H]3C)sc2C1 ZINC000509462977 918112399 /nfs/dbraw/zinc/11/23/99/918112399.db2.gz JPBWTWKZAIEUHI-BRWVUGGUSA-N 1 0 416.635 4.124 20 30 HIEDRO CC(C)N(C)C(=O)C1CC[NH+](Cc2cccc(OCc3cccc(C#N)c3)c2)CC1 ZINC000509550693 918201231 /nfs/dbraw/zinc/20/12/31/918201231.db2.gz XOPLYQBCSFXRAI-UHFFFAOYSA-N 1 0 405.542 4.216 20 30 HIEDRO COc1ccc(CN(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1OCCCC#N ZINC000509572697 918223304 /nfs/dbraw/zinc/22/33/04/918223304.db2.gz DBCZPXBFNPAQGG-QHCPKHFHSA-N 1 0 407.558 4.474 20 30 HIEDRO CC[N@@H+]1CCC[C@@H](CN(C)c2c(C#N)cnc3c(F)cc(F)cc32)[C@@H]1c1cnn(C)c1 ZINC000509609103 918256831 /nfs/dbraw/zinc/25/68/31/918256831.db2.gz OUFYFLBVQPMFEL-OYHNWAKOSA-N 1 0 424.499 4.028 20 30 HIEDRO N#Cc1cc(F)cc(C2(C(=O)NCc3cccc(C[NH+]4CCCCCC4)c3)CC2)c1 ZINC000509827081 918427540 /nfs/dbraw/zinc/42/75/40/918427540.db2.gz KYKGJAIEMOVTHJ-UHFFFAOYSA-N 1 0 405.517 4.421 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCCc3nn(C)cc32)cc1OCC ZINC000509950209 918545858 /nfs/dbraw/zinc/54/58/58/918545858.db2.gz ZJYAPJPBBOOPEE-QGZVFWFLSA-N 1 0 420.351 4.313 20 30 HIEDRO COCC[N@H+](C)CC[C@@H](NC(=O)Nc1ccc(C#N)c(Cl)c1)c1ccccc1 ZINC000510035795 918608144 /nfs/dbraw/zinc/60/81/44/918608144.db2.gz OVPSORUKSLFMGE-HXUWFJFHSA-N 1 0 400.910 4.043 20 30 HIEDRO Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000510490894 918940361 /nfs/dbraw/zinc/94/03/61/918940361.db2.gz MXWXCLMJMRGNIH-QFIPXVFZSA-N 1 0 422.529 4.137 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000510645875 919085658 /nfs/dbraw/zinc/08/56/58/919085658.db2.gz MMKPFBGEMGXCQE-QGZVFWFLSA-N 1 0 408.502 4.355 20 30 HIEDRO CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(C#N)cc2)C1 ZINC000510645251 919087065 /nfs/dbraw/zinc/08/70/65/919087065.db2.gz HFXMNXQMNVYOMY-SFTDATJTSA-N 1 0 418.541 4.108 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000510651358 919092070 /nfs/dbraw/zinc/09/20/70/919092070.db2.gz MBGOJONUKZWXEE-FPOVZHCZSA-N 1 0 420.557 4.025 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000510651359 919092786 /nfs/dbraw/zinc/09/27/86/919092786.db2.gz MBGOJONUKZWXEE-PZJWPPBQSA-N 1 0 420.557 4.025 20 30 HIEDRO N#CCc1ccc(OCc2ccccc2NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000511438520 920048305 /nfs/dbraw/zinc/04/83/05/920048305.db2.gz MEHNGKPLKPEPNV-GOTSBHOMSA-N 1 0 404.514 4.080 20 30 HIEDRO C[C@H](CNC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1)[N@@H+]1CCCC[C@H]1C ZINC000511471620 920080305 /nfs/dbraw/zinc/08/03/05/920080305.db2.gz BFUQQDVHAOWSLN-QZTJIDSGSA-N 1 0 419.529 4.195 20 30 HIEDRO C[C@@H]([NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1)C(=O)NC1(C#N)CCCCC1 ZINC000511603705 920250102 /nfs/dbraw/zinc/25/01/02/920250102.db2.gz IIHPVBQWNHKQAT-KDOFPFPSSA-N 1 0 409.452 4.357 20 30 HIEDRO N#Cc1cnc2c(F)ccc(Cl)c2c1N1CC[NH+](CCc2cccs2)CC1 ZINC000511732751 920400755 /nfs/dbraw/zinc/40/07/55/920400755.db2.gz AEYHHHHEEAGDBK-UHFFFAOYSA-N 1 0 400.910 4.325 20 30 HIEDRO Cc1cc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)sc1Br ZINC000511760439 920443332 /nfs/dbraw/zinc/44/33/32/920443332.db2.gz XIEADOAEPUDXBC-CJNGLKHVSA-N 1 0 418.360 4.142 20 30 HIEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000511873908 920605623 /nfs/dbraw/zinc/60/56/23/920605623.db2.gz CTXAOYADMPPUKT-VQTJNVASSA-N 1 0 422.472 4.277 20 30 HIEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 ZINC000511923012 920668503 /nfs/dbraw/zinc/66/85/03/920668503.db2.gz OIIQHHRAHIDRCL-QHCPKHFHSA-N 1 0 408.521 4.284 20 30 HIEDRO C=CC[N@@H+](Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2)Cc1cccc(C#N)c1 ZINC000512036316 920809117 /nfs/dbraw/zinc/80/91/17/920809117.db2.gz GYYQMMXQTDZEKR-UHFFFAOYSA-N 1 0 414.509 4.308 20 30 HIEDRO N#Cc1ccccc1OCc1ccc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)o1 ZINC000512351410 921097307 /nfs/dbraw/zinc/09/73/07/921097307.db2.gz ASPAOONZCSYVGD-UHFFFAOYSA-N 1 0 415.493 4.256 20 30 HIEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccco1 ZINC000513490090 921842135 /nfs/dbraw/zinc/84/21/35/921842135.db2.gz LXSGNUNKLBETQQ-HNAYVOBHSA-N 1 0 423.542 4.449 20 30 HIEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)c1ccco1 ZINC000513490091 921842476 /nfs/dbraw/zinc/84/24/76/921842476.db2.gz LXSGNUNKLBETQQ-KXBFYZLASA-N 1 0 423.542 4.449 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000513531656 921873097 /nfs/dbraw/zinc/87/30/97/921873097.db2.gz XMEMJXMHQJUZCY-UHFFFAOYSA-N 1 0 409.578 4.216 20 30 HIEDRO C[C@@H]([NH2+]C1CCN(c2ccc(C#N)cc2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000514100910 922426299 /nfs/dbraw/zinc/42/62/99/922426299.db2.gz YEKQMYGRLNQMJG-QGZVFWFLSA-N 1 0 403.530 4.162 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(c2ccccc2)CCCC1 ZINC000514579333 922716079 /nfs/dbraw/zinc/71/60/79/922716079.db2.gz OLGNXIYVTRVPTO-UHFFFAOYSA-N 1 0 404.558 4.143 20 30 HIEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cc(Br)c(OC)c(Br)c1 ZINC000514706308 922768779 /nfs/dbraw/zinc/76/87/79/922768779.db2.gz HLFKQZQXFBZURS-IUODEOHRSA-N 1 0 419.157 4.291 20 30 HIEDRO CCC[N@H+](CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)Cc1ccc(C#N)cc1 ZINC000515134770 922943423 /nfs/dbraw/zinc/94/34/23/922943423.db2.gz DEYVHUQPFNKGLL-VWLOTQADSA-N 1 0 421.541 4.055 20 30 HIEDRO N#CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000515623904 923223733 /nfs/dbraw/zinc/22/37/33/923223733.db2.gz ARLSJCKPHMOWQW-CEMLEFRQSA-N 1 0 418.459 4.437 20 30 HIEDRO CCc1cccc2c(C3CC[NH+](C[C@@H](O)COc4ccc(C#N)cc4)CC3)c[nH]c21 ZINC000515742936 923317171 /nfs/dbraw/zinc/31/71/71/923317171.db2.gz AYBJIVAFEDXYRN-OAQYLSRUSA-N 1 0 403.526 4.221 20 30 HIEDRO COc1ccc([C@H]([NH2+]CC(=O)N(C)C2(C#N)CCCCC2)c2ccc(C)cc2)cc1 ZINC000516819221 923904112 /nfs/dbraw/zinc/90/41/12/923904112.db2.gz URDNENRMGXQYDB-XMMPIXPASA-N 1 0 405.542 4.368 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC1 ZINC000517316040 924097518 /nfs/dbraw/zinc/09/75/18/924097518.db2.gz JMSOXOPMBSZBHS-UHFFFAOYSA-N 1 0 406.555 4.371 20 30 HIEDRO CCCN(CCC[NH+](C)C)C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000517572531 926686580 /nfs/dbraw/zinc/68/65/80/926686580.db2.gz HJWHETMRVUFBFO-UHFFFAOYSA-N 1 0 404.986 4.008 20 30 HIEDRO C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 ZINC000517654597 926762469 /nfs/dbraw/zinc/76/24/69/926762469.db2.gz ZJVBZDRUTAXGSZ-GCJKJVERSA-N 1 0 412.493 4.311 20 30 HIEDRO CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)c(C)c2)CC1 ZINC000518167371 927059339 /nfs/dbraw/zinc/05/93/39/927059339.db2.gz DXOTVKFNLPQJNX-DEOSSOPVSA-N 1 0 420.557 4.051 20 30 HIEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(COc3ccccc3C#N)o2)C1 ZINC000518355080 927216528 /nfs/dbraw/zinc/21/65/28/927216528.db2.gz PBFVYCGLMVSSMW-SFHVURJKSA-N 1 0 409.530 4.361 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)CC1 ZINC000518580456 927359937 /nfs/dbraw/zinc/35/99/37/927359937.db2.gz YZUMLOBZLABLIE-UHFFFAOYSA-N 1 0 422.529 4.110 20 30 HIEDRO N#CCCn1cc(C[NH2+]C[C@H](Cc2ccccc2)C(F)(F)F)c(-c2ccncc2)n1 ZINC000518623909 927384774 /nfs/dbraw/zinc/38/47/74/927384774.db2.gz XDHKMGZJHSXGKJ-FQEVSTJZSA-N 1 0 413.447 4.370 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)NCc1cccc(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC000518921934 927629885 /nfs/dbraw/zinc/62/98/85/927629885.db2.gz KFQNQXCQIHRNSU-HXUWFJFHSA-N 1 0 418.463 4.459 20 30 HIEDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 ZINC000518935377 927640674 /nfs/dbraw/zinc/64/06/74/927640674.db2.gz DDKRTBCFVAFAMK-SFHVURJKSA-N 1 0 409.530 4.361 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](COc2ccccc2F)c2ccccc2)CC1 ZINC000519285571 927863773 /nfs/dbraw/zinc/86/37/73/927863773.db2.gz BEDKJYQSUBTONA-QFIPXVFZSA-N 1 0 411.521 4.286 20 30 HIEDRO C=CCN(CCc1ccccc1)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000519487430 927984617 /nfs/dbraw/zinc/98/46/17/927984617.db2.gz GFXNKOMSVWUTFU-VXKWHMMOSA-N 1 0 421.585 4.236 20 30 HIEDRO N#Cc1ccccc1OC1CCC([NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000520388498 928541598 /nfs/dbraw/zinc/54/15/98/928541598.db2.gz YHJKNVUABGKVNZ-UHFFFAOYSA-N 1 0 416.481 4.157 20 30 HIEDRO C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 ZINC000520718638 928767913 /nfs/dbraw/zinc/76/79/13/928767913.db2.gz QDDFYTNQHWIOFQ-HXUWFJFHSA-N 1 0 417.484 4.392 20 30 HIEDRO CC(C)(CNC(=O)CCCCOc1cccc(C#N)c1)[N@@H+]1CCc2ccccc2C1 ZINC000521102250 928995184 /nfs/dbraw/zinc/99/51/84/928995184.db2.gz SPKJKOQMCIHMNL-UHFFFAOYSA-N 1 0 405.542 4.060 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000521509741 929264004 /nfs/dbraw/zinc/26/40/04/929264004.db2.gz YDFSYFJGEIJIRJ-GOSISDBHSA-N 1 0 407.436 4.032 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@H+](C)[C@@H](C)c1cc(C)ccc1C ZINC000524596644 929705862 /nfs/dbraw/zinc/70/58/62/929705862.db2.gz NMWIIALPHAHTIY-FQEVSTJZSA-N 1 0 410.562 4.261 20 30 HIEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ncc(-c2ccccc2)o1 ZINC000524802524 929835749 /nfs/dbraw/zinc/83/57/49/929835749.db2.gz ADGDFKHCJKNSPB-SFHVURJKSA-N 1 0 417.513 4.048 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000525413440 930226334 /nfs/dbraw/zinc/22/63/34/930226334.db2.gz JWCQYLZZHWRYTR-LJQANCHMSA-N 1 0 406.530 4.474 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000525494212 930280773 /nfs/dbraw/zinc/28/07/73/930280773.db2.gz KQTRHFPABLMCID-UHFFFAOYSA-N 1 0 405.311 4.478 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccc(Cl)cc1 ZINC000530831125 930834646 /nfs/dbraw/zinc/83/46/46/930834646.db2.gz RHGQGUCBGCVOAD-OAQYLSRUSA-N 1 0 423.900 4.416 20 30 HIEDRO N#C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000530877749 930847126 /nfs/dbraw/zinc/84/71/26/930847126.db2.gz RQPXANKSMKMHCD-FQEVSTJZSA-N 1 0 417.431 4.178 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000531694824 931156952 /nfs/dbraw/zinc/15/69/52/931156952.db2.gz RLDOCZYLSUEIDK-NXEZZACHSA-N 1 0 404.326 4.177 20 30 HIEDRO C=CCN(CC=C)[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C(C)C ZINC000532193932 931344154 /nfs/dbraw/zinc/34/41/54/931344154.db2.gz HWYNFZXSFZZTDA-QFIPXVFZSA-N 1 0 403.998 4.233 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000532226645 931362758 /nfs/dbraw/zinc/36/27/58/931362758.db2.gz PLKZVAAAKKGQFG-KKSFZXQISA-N 1 0 421.520 4.301 20 30 HIEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000532661657 931573038 /nfs/dbraw/zinc/57/30/38/931573038.db2.gz NHCBEEYMKRTJOY-AWEZNQCLSA-N 1 0 413.319 4.127 20 30 HIEDRO C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000532699584 931593582 /nfs/dbraw/zinc/59/35/82/931593582.db2.gz UZRZDYNRMOYVSF-KSZLIROESA-N 1 0 414.619 4.164 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)c1 ZINC000532701369 931595250 /nfs/dbraw/zinc/59/52/50/931595250.db2.gz SXFLYZMEZHMCRE-BJESRGMDSA-N 1 0 410.606 4.276 20 30 HIEDRO N#CCCn1cc(C(=O)C[NH+]2CCC(c3c[nH]c4ncccc34)CC2)c2ccccc21 ZINC000532708987 931600114 /nfs/dbraw/zinc/60/01/14/931600114.db2.gz POSASLNDBRHBBN-UHFFFAOYSA-N 1 0 411.509 4.494 20 30 HIEDRO CC[N@H+](CCOc1ccccc1C#N)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000532733276 931616190 /nfs/dbraw/zinc/61/61/90/931616190.db2.gz QTVOAEZPAJVJIQ-UHFFFAOYSA-N 1 0 407.562 4.150 20 30 HIEDRO CC(C)[N@H+](CCN1c2cccc3cccc(c23)S1(=O)=O)Cc1ccc(C#N)cc1 ZINC000532929523 931700762 /nfs/dbraw/zinc/70/07/62/931700762.db2.gz DDLWPFXROVQTLM-UHFFFAOYSA-N 1 0 405.523 4.131 20 30 HIEDRO CCC[N@H+](CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000532970898 931719593 /nfs/dbraw/zinc/71/95/93/931719593.db2.gz ACDHSLGBLKLVDJ-MAODMQOUSA-N 1 0 415.603 4.353 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000532973846 931722222 /nfs/dbraw/zinc/72/22/22/931722222.db2.gz UCVQASLBHPRZSX-ZWKOTPCHSA-N 1 0 414.619 4.166 20 30 HIEDRO C[C@@H](c1ccncc1)N1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000533038632 931748304 /nfs/dbraw/zinc/74/83/04/931748304.db2.gz GARNMSLUDNRBHS-FQEVSTJZSA-N 1 0 414.557 4.174 20 30 HIEDRO CC[N@H+](CCOc1ccc(C#N)cc1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000533073793 931763091 /nfs/dbraw/zinc/76/30/91/931763091.db2.gz AGOVOPHGRWWATB-UHFFFAOYSA-N 1 0 407.562 4.150 20 30 HIEDRO C=CCc1ccc(OC[C@@H](O)C[NH+]2CCC(Nc3cccc(C)c3)CC2)c(OC)c1 ZINC000533529712 931895425 /nfs/dbraw/zinc/89/54/25/931895425.db2.gz IEMYRGDGWFHVOO-QHCPKHFHSA-N 1 0 410.558 4.048 20 30 HIEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000534098805 932278370 /nfs/dbraw/zinc/27/83/70/932278370.db2.gz APFXMTVOEDTGGX-UHFFFAOYSA-N 1 0 420.464 4.070 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ccc(Oc2ccccc2C#N)c(Cl)c1 ZINC000534175824 932315848 /nfs/dbraw/zinc/31/58/48/932315848.db2.gz QJVYCYILFNVIOU-UHFFFAOYSA-N 1 0 410.905 4.312 20 30 HIEDRO C[N@@H+]1CC[C@H](NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@H]1c1ccccc1 ZINC000534754267 932732057 /nfs/dbraw/zinc/73/20/57/932732057.db2.gz DJKDIOGVYFPIGO-DQEYMECFSA-N 1 0 411.505 4.312 20 30 HIEDRO C[NH+](C)Cc1ccc(CNC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)cc1F ZINC000534966010 932864825 /nfs/dbraw/zinc/86/48/25/932864825.db2.gz XYCDOENBCBIWSC-UHFFFAOYSA-N 1 0 423.517 4.128 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000535152042 932969735 /nfs/dbraw/zinc/96/97/35/932969735.db2.gz CLTWTQCZXKNRSN-UHFFFAOYSA-N 1 0 405.258 4.238 20 30 HIEDRO C[C@H](NC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000535684320 933339814 /nfs/dbraw/zinc/33/98/14/933339814.db2.gz UKIXPQJLDXQBIL-XQAUZQBESA-N 1 0 414.912 4.404 20 30 HIEDRO CC(C)(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000535850051 933432539 /nfs/dbraw/zinc/43/25/39/933432539.db2.gz FDQFWSHRYLLDGF-LJQANCHMSA-N 1 0 408.546 4.408 20 30 HIEDRO C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccc(Oc4cccc(F)c4C#N)cc3)C2)CC1 ZINC000535901629 933479437 /nfs/dbraw/zinc/47/94/37/933479437.db2.gz XOUXYAYZDGCMRG-LJQANCHMSA-N 1 0 407.489 4.294 20 30 HIEDRO CC(C)[C@H](C(=O)Nc1ncc(Cc2ccc(C#N)cc2C(F)(F)F)s1)[NH+](C)C ZINC000537476770 933788733 /nfs/dbraw/zinc/78/87/33/933788733.db2.gz UTYSUQILHRAJJM-MRXNPFEDSA-N 1 0 410.465 4.149 20 30 HIEDRO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 ZINC000562571301 945099973 /nfs/dbraw/zinc/09/99/73/945099973.db2.gz PJPHQDRKRRNAPK-GOSISDBHSA-N 1 0 407.518 4.235 20 30 HIEDRO N#CCc1ccc(OCc2cccc(NC(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)c2)cc1 ZINC000538208219 938555685 /nfs/dbraw/zinc/55/56/85/938555685.db2.gz OVHXGRLYJSTEDZ-QFIPXVFZSA-N 1 0 418.541 4.281 20 30 HIEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@H](Cc2ccccc2)c2ccccc2F)c1 ZINC000538259266 938576890 /nfs/dbraw/zinc/57/68/90/938576890.db2.gz CYCMWZOAMIDQPY-HSZRJFAPSA-N 1 0 408.498 4.045 20 30 HIEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)c1 ZINC000538259268 938576996 /nfs/dbraw/zinc/57/69/96/938576996.db2.gz CYCMWZOAMIDQPY-QHCPKHFHSA-N 1 0 408.498 4.045 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[NH2+][C@H](c2cnn(C)c2)C(C)(C)C)ccc1Cl ZINC000538278687 938582194 /nfs/dbraw/zinc/58/21/94/938582194.db2.gz ABSYYVXIRSUVTH-HXUWFJFHSA-N 1 0 401.942 4.006 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]CCc3coc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000538396066 938610596 /nfs/dbraw/zinc/61/05/96/938610596.db2.gz OJOJBOUJZCXIKL-UHFFFAOYSA-N 1 0 404.489 4.149 20 30 HIEDRO Cc1ccc(NC(=O)COc2ccc(CC[NH2+]Cc3ccc(C#N)s3)cc2)cc1 ZINC000538409934 938613971 /nfs/dbraw/zinc/61/39/71/938613971.db2.gz FJAWCVKVRPYGKH-UHFFFAOYSA-N 1 0 405.523 4.278 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CC[C@H](C[N@@H+](C)CCC)C2)cc1OC ZINC000538722164 938691581 /nfs/dbraw/zinc/69/15/81/938691581.db2.gz ZZJDAXZHSXQLPS-MRXNPFEDSA-N 1 0 411.384 4.186 20 30 HIEDRO CC1CC[NH+](CCc2cccc(N[C@@H]3CCN(c4ccc(C#N)cc4)C3=O)c2)CC1 ZINC000538754269 938703020 /nfs/dbraw/zinc/70/30/20/938703020.db2.gz HUKJBBQRZAHXCZ-XMMPIXPASA-N 1 0 402.542 4.050 20 30 HIEDRO N#CCCn1cc(C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)c(-c2ccccc2)n1 ZINC000538792287 938713152 /nfs/dbraw/zinc/71/31/52/938713152.db2.gz MQEZLLTZDYBNDC-XMMPIXPASA-N 1 0 400.526 4.297 20 30 HIEDRO CCN1CC[C@@H](NC(=O)CSc2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539133227 938808713 /nfs/dbraw/zinc/80/87/13/938808713.db2.gz QUKMTRYVDFIGRR-CTNGQTDRSA-N 1 0 417.937 4.395 20 30 HIEDRO N#Cc1ccccc1-c1ccc(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000539209973 938819391 /nfs/dbraw/zinc/81/93/91/938819391.db2.gz GWLGYHYJMUABJO-UHFFFAOYSA-N 1 0 402.542 4.243 20 30 HIEDRO CC(C)Oc1cccc([C@@H](C)[NH2+]CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 ZINC000539227588 938822066 /nfs/dbraw/zinc/82/20/66/938822066.db2.gz RNJVOPSQCWEMQJ-QGZVFWFLSA-N 1 0 418.459 4.311 20 30 HIEDRO Cc1nc(-c2ccc([C@H](C)[NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)cc2)cs1 ZINC000539252031 938826454 /nfs/dbraw/zinc/82/64/54/938826454.db2.gz GGPNKFZXGBTIHJ-HNNXBMFYSA-N 1 0 411.552 4.115 20 30 HIEDRO C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(OCc2ccccn2)c1 ZINC000539255021 938827476 /nfs/dbraw/zinc/82/74/76/938827476.db2.gz HXNGMOHSOHGRJB-GOSISDBHSA-N 1 0 400.482 4.212 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1 ZINC000539255309 938827648 /nfs/dbraw/zinc/82/76/48/938827648.db2.gz IMIRYCYFVKDIDA-LJQANCHMSA-N 1 0 418.541 4.249 20 30 HIEDRO C[C@@H]([NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc2c(c1)OCO2 ZINC000539268008 938830485 /nfs/dbraw/zinc/83/04/85/938830485.db2.gz OAYXJRRLEKVXSH-CQSZACIVSA-N 1 0 411.527 4.297 20 30 HIEDRO CCSc1ccc([C@H](C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000539303086 938837310 /nfs/dbraw/zinc/83/73/10/938837310.db2.gz ICHVOBBNNLRUBQ-INIZCTEOSA-N 1 0 405.527 4.145 20 30 HIEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000539304752 938837650 /nfs/dbraw/zinc/83/76/50/938837650.db2.gz WBBJOXVKYGMZJJ-LLJLJFOGSA-N 1 0 411.521 4.498 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000539491356 938867892 /nfs/dbraw/zinc/86/78/92/938867892.db2.gz QJZISTWVXJNPPC-ZHRRBRCNSA-N 1 0 412.555 4.163 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]C3CCC(Oc4ccccc4C#N)CC3)CC2)cc1 ZINC000539509798 938870800 /nfs/dbraw/zinc/87/08/00/938870800.db2.gz OQGNBQVZRARWPU-UHFFFAOYSA-N 1 0 414.553 4.374 20 30 HIEDRO Cc1cc(NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)nn1CCC#N ZINC000539719687 938912371 /nfs/dbraw/zinc/91/23/71/938912371.db2.gz WZTREDOYOOLQLK-UHFFFAOYSA-N 1 0 408.550 4.191 20 30 HIEDRO C=CC[N@H+](Cc1cc(Br)cs1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000539831253 938950646 /nfs/dbraw/zinc/95/06/46/938950646.db2.gz FVVVKGARCDEUNJ-ZDUSSCGKSA-N 1 0 404.337 4.236 20 30 HIEDRO CC1CC[NH+](CCc2cccc(NC(=O)NCCOc3ccc(C#N)cc3)c2)CC1 ZINC000539872358 938962823 /nfs/dbraw/zinc/96/28/23/938962823.db2.gz DHVRZTWSOAYACF-UHFFFAOYSA-N 1 0 406.530 4.033 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)cc1OC ZINC000539899156 938971690 /nfs/dbraw/zinc/97/16/90/938971690.db2.gz ADUOUCXIUPXUPL-DLBZAZTESA-N 1 0 410.352 4.271 20 30 HIEDRO N#Cc1csc(C(=O)Nc2cccc(N3CC[NH+](CCc4ccccc4)CC3)c2)c1 ZINC000540025580 939042288 /nfs/dbraw/zinc/04/22/88/939042288.db2.gz XYDBDPHGQIASPE-UHFFFAOYSA-N 1 0 416.550 4.237 20 30 HIEDRO C[C@@H]([NH2+]Cc1cc(C#N)ccc1Br)C1CCN(CC(F)(F)F)CC1 ZINC000563608174 945225510 /nfs/dbraw/zinc/22/55/10/945225510.db2.gz TZCYQIIKJZHQSO-GFCCVEGCSA-N 1 0 404.274 4.073 20 30 HIEDRO C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000540182278 939108904 /nfs/dbraw/zinc/10/89/04/939108904.db2.gz SNYGOZBDOUOBDT-AFJQURTJSA-N 1 0 422.485 4.163 20 30 HIEDRO Cc1sc2nc([C@@H](C)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)nc(N)c2c1C ZINC000540298503 939186305 /nfs/dbraw/zinc/18/63/05/939186305.db2.gz PUKPLPQOMWXLBR-MRXNPFEDSA-N 1 0 420.586 4.031 20 30 HIEDRO C[C@H]([NH2+]CC(=O)NC1(C#N)CCCCC1)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000540375567 939216151 /nfs/dbraw/zinc/21/61/51/939216151.db2.gz HJKCXTPNDJSKHD-KRWDZBQOSA-N 1 0 422.504 4.071 20 30 HIEDRO N#Cc1ccc(CN2CCC([NH2+]CCOc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000540594363 939314408 /nfs/dbraw/zinc/31/44/08/939314408.db2.gz SCMFHMVSLNCRAB-UHFFFAOYSA-N 1 0 403.448 4.210 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000541024837 939433622 /nfs/dbraw/zinc/43/36/22/939433622.db2.gz SFCSCGOQFKZTOW-ROUUACIJSA-N 1 0 408.571 4.496 20 30 HIEDRO CC(C)[NH+](CCCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)C(C)C ZINC000541101334 939460339 /nfs/dbraw/zinc/46/03/39/939460339.db2.gz ZOGMGSKWMNSXAI-UHFFFAOYSA-N 1 0 402.930 4.028 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000541104115 939461514 /nfs/dbraw/zinc/46/15/14/939461514.db2.gz XFYWYCXYYDQSBL-IEBWSBKVSA-N 1 0 424.524 4.001 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541175843 939484332 /nfs/dbraw/zinc/48/43/32/939484332.db2.gz GMZUXLAWSPYHBM-IRXDYDNUSA-N 1 0 405.523 4.284 20 30 HIEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N(C)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1)C(C)C ZINC000541787479 939630734 /nfs/dbraw/zinc/63/07/34/939630734.db2.gz QRNUECDVCDVQHW-YTFSRNRJSA-N 1 0 417.569 4.386 20 30 HIEDRO CC(C)c1nnc(NC(=O)C[NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)s1 ZINC000542014802 939686483 /nfs/dbraw/zinc/68/64/83/939686483.db2.gz ZZVRKELEKDDBGY-OAHLLOKOSA-N 1 0 405.527 4.489 20 30 HIEDRO C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542017656 939687568 /nfs/dbraw/zinc/68/75/68/939687568.db2.gz NLEIJNRCKLLYCO-GOSISDBHSA-N 1 0 420.534 4.358 20 30 HIEDRO NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000542234161 939768724 /nfs/dbraw/zinc/76/87/24/939768724.db2.gz OIDLWRYYFMDRED-HNNXBMFYSA-N 1 0 408.317 4.050 20 30 HIEDRO N#Cc1ccc(CN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C2CC2)cc1 ZINC000542372289 939809586 /nfs/dbraw/zinc/80/95/86/939809586.db2.gz SBOQDTUTFLQYMA-UHFFFAOYSA-N 1 0 408.571 4.206 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542533295 939838975 /nfs/dbraw/zinc/83/89/75/939838975.db2.gz LSZIEDMBXCCGCU-GUDVDZBRSA-N 1 0 414.619 4.262 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000542966462 939887779 /nfs/dbraw/zinc/88/77/79/939887779.db2.gz CUFHGNTVOZCPCA-XWBFJWKOSA-N 1 0 415.584 4.108 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)c1C#N ZINC000542976483 939890039 /nfs/dbraw/zinc/89/00/39/939890039.db2.gz ZCRFRXLQXMNHGQ-SAWYMBPVSA-N 1 0 408.546 4.457 20 30 HIEDRO CCc1cnccc1[C@H](C)[NH2+]CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 ZINC000543051620 939910008 /nfs/dbraw/zinc/91/00/08/939910008.db2.gz IJZLXAVJDFDQHE-KRWDZBQOSA-N 1 0 419.529 4.255 20 30 HIEDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000543460293 940070321 /nfs/dbraw/zinc/07/03/21/940070321.db2.gz KUWNIWIEGXMZKB-HOCLYGCPSA-N 1 0 421.467 4.048 20 30 HIEDRO Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CC(=O)NCc1ccc(C#N)cc1 ZINC000543518782 940093990 /nfs/dbraw/zinc/09/39/90/940093990.db2.gz DTNNVRCIDTWQBZ-INIZCTEOSA-N 1 0 404.539 4.266 20 30 HIEDRO N#Cc1cc(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)ccc1Cl ZINC000543633876 940143274 /nfs/dbraw/zinc/14/32/74/940143274.db2.gz TVUBPFTZDONQNN-UHFFFAOYSA-N 1 0 410.905 4.278 20 30 HIEDRO CN(CCC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1)c1cc[nH+]cc1 ZINC000543713051 940168632 /nfs/dbraw/zinc/16/86/32/940168632.db2.gz NJBCJOHIHQXNMR-UHFFFAOYSA-N 1 0 400.482 4.192 20 30 HIEDRO C[C@H]([NH2+]C1CCN(Cc2ccc(C#N)cc2)CC1)c1nc(-c2ccncc2)cs1 ZINC000543768800 940180768 /nfs/dbraw/zinc/18/07/68/940180768.db2.gz ZZEWIYAPLMMMJX-KRWDZBQOSA-N 1 0 403.555 4.392 20 30 HIEDRO C=CCc1cc(C[NH2+][C@@H]2CCN(CC)[C@H]2c2cc(F)c(F)c(F)c2)cc(OC)c1O ZINC000543849012 940207926 /nfs/dbraw/zinc/20/79/26/940207926.db2.gz FPTWYSKMZOJODY-KNQAVFIVSA-N 1 0 420.475 4.472 20 30 HIEDRO C[C@H]([NH2+]CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000543869891 940217593 /nfs/dbraw/zinc/21/75/93/940217593.db2.gz HLBCVPITINEMJB-GKVQRAMASA-N 1 0 403.526 4.046 20 30 HIEDRO Cc1c(Cl)cnc(NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1C#N ZINC000544141514 940336743 /nfs/dbraw/zinc/33/67/43/940336743.db2.gz BBTCKOJNWIYNNA-UHFFFAOYSA-N 1 0 414.937 4.017 20 30 HIEDRO N#Cc1ccc(CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C2CC2)cc1 ZINC000544253589 940369551 /nfs/dbraw/zinc/36/95/51/940369551.db2.gz IKKKKPAOIRKZQC-UHFFFAOYSA-N 1 0 402.542 4.418 20 30 HIEDRO Cc1cc(-c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)nn1-c1cccc(C#N)c1 ZINC000544922801 940525647 /nfs/dbraw/zinc/52/56/47/940525647.db2.gz ABBBMFPAYOBSBX-UHFFFAOYSA-N 1 0 410.481 4.365 20 30 HIEDRO CC1=CC[N@H+](CCNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000545161593 940552938 /nfs/dbraw/zinc/55/29/38/940552938.db2.gz XKOOTYSBDXNZSP-UHFFFAOYSA-N 1 0 408.477 4.050 20 30 HIEDRO CC[NH+](CC)CCOc1ccccc1-c1noc(C2(c3cccc(C#N)c3)CC2)n1 ZINC000545596393 940576554 /nfs/dbraw/zinc/57/65/54/940576554.db2.gz NNMOOTKLUKHDJW-UHFFFAOYSA-N 1 0 402.498 4.409 20 30 HIEDRO C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N(CC[NH+](C)C)Cc1cccc(C#N)c1 ZINC000546789530 940883267 /nfs/dbraw/zinc/88/32/67/940883267.db2.gz MDEWYCNSRJXMKW-QGZVFWFLSA-N 1 0 411.933 4.011 20 30 HIEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000564043513 945361765 /nfs/dbraw/zinc/36/17/65/945361765.db2.gz ZLIDWVGWSKULCZ-UHFFFAOYSA-N 1 0 421.520 4.305 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1 ZINC000547282981 941051890 /nfs/dbraw/zinc/05/18/90/941051890.db2.gz PCTDDXCHXKYIIC-UHFFFAOYSA-N 1 0 406.486 4.133 20 30 HIEDRO C[C@H]([NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 ZINC000548936060 941130953 /nfs/dbraw/zinc/13/09/53/941130953.db2.gz JCSBCKSFFJNZEV-KBPBESRZSA-N 1 0 421.482 4.268 20 30 HIEDRO CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000549058838 941150267 /nfs/dbraw/zinc/15/02/67/941150267.db2.gz DPVOUIZMYIZADR-UHFFFAOYSA-N 1 0 408.594 4.421 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000549251682 941174273 /nfs/dbraw/zinc/17/42/73/941174273.db2.gz ZPXPPFCVLPOSTI-KRWDZBQOSA-N 1 0 401.530 4.100 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000549286056 941176961 /nfs/dbraw/zinc/17/69/61/941176961.db2.gz QQYMSWPDLNWTAH-RBBKRZOGSA-N 1 0 418.589 4.484 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000549290815 941177342 /nfs/dbraw/zinc/17/73/42/941177342.db2.gz SLJQBKJBPMMUST-RTWAWAEBSA-N 1 0 408.594 4.315 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000549290814 941177372 /nfs/dbraw/zinc/17/73/72/941177372.db2.gz SLJQBKJBPMMUST-NHCUHLMSSA-N 1 0 408.594 4.315 20 30 HIEDRO CCN(C(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000549541980 941198774 /nfs/dbraw/zinc/19/87/74/941198774.db2.gz JIMWLLZMSSEUBJ-BEFAXECRSA-N 1 0 416.447 4.270 20 30 HIEDRO C=C(C)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000549637406 941202300 /nfs/dbraw/zinc/20/23/00/941202300.db2.gz NDPRVTNVVFPSMN-OALUTQOASA-N 1 0 415.557 4.301 20 30 HIEDRO C=C(C)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000549638723 941202407 /nfs/dbraw/zinc/20/24/07/941202407.db2.gz SHUQTROOCAAGOR-SFHVURJKSA-N 1 0 417.504 4.187 20 30 HIEDRO C=C(C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000549665801 941203622 /nfs/dbraw/zinc/20/36/22/941203622.db2.gz WPXHYWARGONCJA-HXUWFJFHSA-N 1 0 402.546 4.134 20 30 HIEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000549684609 941204412 /nfs/dbraw/zinc/20/44/12/941204412.db2.gz ZZDDUJKODDLWSC-FYYLOGMGSA-N 1 0 421.589 4.024 20 30 HIEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000549684612 941204433 /nfs/dbraw/zinc/20/44/33/941204433.db2.gz ZZDDUJKODDLWSC-JTHBVZDNSA-N 1 0 421.589 4.024 20 30 HIEDRO N#Cc1ccc(F)c(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)c1 ZINC000549747608 941206269 /nfs/dbraw/zinc/20/62/69/941206269.db2.gz AOWMWPMXFFYKOP-UHFFFAOYSA-N 1 0 421.285 4.480 20 30 HIEDRO N#Cc1cccc(C[NH2+]C2(Cc3ccc(F)cc3Br)CCOCC2)c1 ZINC000549749281 941206409 /nfs/dbraw/zinc/20/64/09/941206409.db2.gz QXTVPQRBYNOAFH-UHFFFAOYSA-N 1 0 403.295 4.341 20 30 HIEDRO C=CCc1cc(C[NH2+][C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)cc(OC)c1O ZINC000549861618 941219041 /nfs/dbraw/zinc/21/90/41/941219041.db2.gz XIBXSWNCSLNRBV-IERDGZPVSA-N 1 0 412.505 4.110 20 30 HIEDRO N#Cc1ccc2ncc(C[NH2+]CC3(c4ccc(Br)cc4Cl)CC3)n2c1 ZINC000549877603 941224256 /nfs/dbraw/zinc/22/42/56/941224256.db2.gz JOAZJNUKAYKOJR-UHFFFAOYSA-N 1 0 415.722 4.443 20 30 HIEDRO C[C@@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1=O ZINC000550292261 941310242 /nfs/dbraw/zinc/31/02/42/941310242.db2.gz UDCVAVXDNMIZMP-MBSDFSHPSA-N 1 0 409.505 4.350 20 30 HIEDRO C=CCOc1ccc(CNc2ccc(C(=O)N(C)[C@H]3CCC[N@H+](C)C3)cc2)cc1OC ZINC000551086524 941406793 /nfs/dbraw/zinc/40/67/93/941406793.db2.gz SENMNCFMONSTSF-QFIPXVFZSA-N 1 0 423.557 4.038 20 30 HIEDRO CC(C)(C)[N@@H+]1C[C@@H](C(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)[C@H](C(F)(F)F)C1 ZINC000551275744 941441393 /nfs/dbraw/zinc/44/13/93/941441393.db2.gz ZQPLUNUBFLOHEG-MKXGPGLRSA-N 1 0 407.480 4.194 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](CCC(C)C)c2ccc(Cl)cc2)CC1 ZINC000551368172 941463005 /nfs/dbraw/zinc/46/30/05/941463005.db2.gz CRMUSSRKWPQADK-OAQYLSRUSA-N 1 0 419.997 4.090 20 30 HIEDRO Cc1c(C[NH+]2CCSCC2)cccc1NC1CCN(c2ccc(C#N)cc2)CC1 ZINC000552289750 941623401 /nfs/dbraw/zinc/62/34/01/941623401.db2.gz JCABPHYQYXFTNI-UHFFFAOYSA-N 1 0 406.599 4.496 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000553071688 941828418 /nfs/dbraw/zinc/82/84/18/941828418.db2.gz VMZXPPGENGSWEE-QGZVFWFLSA-N 1 0 409.559 4.119 20 30 HIEDRO CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000553766888 941962982 /nfs/dbraw/zinc/96/29/82/941962982.db2.gz SXPYTPPDEZLWKS-JKSUJKDBSA-N 1 0 403.523 4.140 20 30 HIEDRO C[C@H](NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)[C@H](c1ccccc1)[NH+](C)C ZINC000554072966 942029595 /nfs/dbraw/zinc/02/95/95/942029595.db2.gz HORASRRYYTUVBD-HRAATJIYSA-N 1 0 419.554 4.418 20 30 HIEDRO C[C@@H]1CCc2c(sc3nc(CC[N@H+](Cc4ccc(C#N)cc4)C4CC4)nc(N)c23)C1 ZINC000554351349 942110713 /nfs/dbraw/zinc/11/07/13/942110713.db2.gz DVVSMTQDPXILEJ-OAHLLOKOSA-N 1 0 417.582 4.477 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)Nc1ccc(Oc2ccnc(C#N)c2)cc1)c1cccs1 ZINC000555008305 942353712 /nfs/dbraw/zinc/35/37/12/942353712.db2.gz ZIXPOXZSYJUTFI-IBGZPJMESA-N 1 0 407.499 4.231 20 30 HIEDRO CCN1CC[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000555126010 942392411 /nfs/dbraw/zinc/39/24/11/942392411.db2.gz PNLKSMJHPPWRGA-DZGCQCFKSA-N 1 0 420.344 4.043 20 30 HIEDRO C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000555257792 942450677 /nfs/dbraw/zinc/45/06/77/942450677.db2.gz XDXPXEJOOXONMZ-UHFFFAOYSA-N 1 0 418.589 4.325 20 30 HIEDRO N#Cc1cccc(C2([NH2+]CC(=O)N3Cc4ccccc4[C@H](c4ccccc4)C3)CC2)c1 ZINC000556511414 942888103 /nfs/dbraw/zinc/88/81/03/942888103.db2.gz WISZAFPJCJLPMC-VWLOTQADSA-N 1 0 407.517 4.311 20 30 HIEDRO C[C@@H](NC1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCOCC1)c1ccccc1 ZINC000556870448 942945450 /nfs/dbraw/zinc/94/54/50/942945450.db2.gz FGIIXMJITFQGGI-OAQYLSRUSA-N 1 0 418.585 4.017 20 30 HIEDRO C[C@H](NC1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCOCC1)c1ccccc1 ZINC000556870441 942945599 /nfs/dbraw/zinc/94/55/99/942945599.db2.gz FGIIXMJITFQGGI-NRFANRHFSA-N 1 0 418.585 4.017 20 30 HIEDRO C=C(C)Cn1c(CCc2ccco2)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000556981415 942987094 /nfs/dbraw/zinc/98/70/94/942987094.db2.gz BGZNQYNIOVZMNN-QFIPXVFZSA-N 1 0 419.573 4.191 20 30 HIEDRO CCc1ccc([C@@H](CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)[NH+](CC)CC)cc1 ZINC000558349540 943521320 /nfs/dbraw/zinc/52/13/20/943521320.db2.gz AGLOCVMOOHSZOL-DNQXCXABSA-N 1 0 402.542 4.002 20 30 HIEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000558448030 943562025 /nfs/dbraw/zinc/56/20/25/943562025.db2.gz ORXDGKFLOXOFGP-YVNJGZBMSA-N 1 0 409.578 4.223 20 30 HIEDRO C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000558454831 943564632 /nfs/dbraw/zinc/56/46/32/943564632.db2.gz ONBNUACJIVRRJX-HXUWFJFHSA-N 1 0 412.541 4.104 20 30 HIEDRO C=CCn1c(N2CCC(C[N@@H+](C)C(C)C)CC2)nnc1C(F)(F)Oc1ccccc1 ZINC000558675451 943626869 /nfs/dbraw/zinc/62/68/69/943626869.db2.gz CPMFCCLBRDNYCH-UHFFFAOYSA-N 1 0 419.520 4.149 20 30 HIEDRO CCOC(=O)C1CCC([N@H+](CC)CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 ZINC000558744319 943638041 /nfs/dbraw/zinc/63/80/41/943638041.db2.gz PUHMBMGJWMVLNI-UHFFFAOYSA-N 1 0 419.953 4.030 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000558988458 943790300 /nfs/dbraw/zinc/79/03/00/943790300.db2.gz JZKQTCLRUIHRFJ-NRFANRHFSA-N 1 0 409.578 4.115 20 30 HIEDRO C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCC(C[N@@H+](C)CCCC)CC1 ZINC000559022655 943807614 /nfs/dbraw/zinc/80/76/14/943807614.db2.gz OGMFZNPUKJXLNB-UHFFFAOYSA-N 1 0 401.624 4.455 20 30 HIEDRO CC1CC[NH+](Cc2ccccc2CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 ZINC000559047784 943814896 /nfs/dbraw/zinc/81/48/96/943814896.db2.gz LTGYAHFFHWFNAE-UHFFFAOYSA-N 1 0 416.447 4.134 20 30 HIEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C1 ZINC000559169757 943860087 /nfs/dbraw/zinc/86/00/87/943860087.db2.gz SCTMHWOUAPRZJP-LJQANCHMSA-N 1 0 420.586 4.095 20 30 HIEDRO N#Cc1cc(Br)ccc1C[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000559289572 943891110 /nfs/dbraw/zinc/89/11/10/943891110.db2.gz LYVZFRNSZMEVLW-UHFFFAOYSA-N 1 0 403.295 4.341 20 30 HIEDRO COc1ccc(C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)cc1OCCCC#N ZINC000559312209 943894318 /nfs/dbraw/zinc/89/43/18/943894318.db2.gz FIPCLCCPHNVRFH-UHFFFAOYSA-N 1 0 412.505 4.398 20 30 HIEDRO C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+]Cc2cccc(OCCCC#N)c2)C1=O ZINC000559323494 943896549 /nfs/dbraw/zinc/89/65/49/943896549.db2.gz JWXGHALFZRIEED-WZONZLPQSA-N 1 0 409.505 4.350 20 30 HIEDRO Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 ZINC000559368881 943915750 /nfs/dbraw/zinc/91/57/50/943915750.db2.gz BCFPNRACZOPSGA-UHFFFAOYSA-N 1 0 420.460 4.082 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(OCc2cccnc2)cc1 ZINC000559560580 944004947 /nfs/dbraw/zinc/00/49/47/944004947.db2.gz CIMMBHIECAWWRR-IERDGZPVSA-N 1 0 418.522 4.050 20 30 HIEDRO C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](c1cncc(Br)c1)C1CC1 ZINC000560181236 944189421 /nfs/dbraw/zinc/18/94/21/944189421.db2.gz WWZVJSZZCWZFQE-CTNGQTDRSA-N 1 0 417.347 4.053 20 30 HIEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+][C@@H](Cc2ccccc2)c2ccccc2F)cc1 ZINC000561160556 944489732 /nfs/dbraw/zinc/48/97/32/944489732.db2.gz IONKOOFFFZMGAV-OFVILXPXSA-N 1 0 404.485 4.205 20 30 HIEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000561975972 944882728 /nfs/dbraw/zinc/88/27/28/944882728.db2.gz XOPNDXQXMFNJEQ-JOCHJYFZSA-N 1 0 403.526 4.074 20 30 HIEDRO C=CCn1c([C@H](C)Oc2ccc3ccccc3c2)nnc1N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000562024739 944899851 /nfs/dbraw/zinc/89/98/51/944899851.db2.gz MXHIRFIOYYXSBE-PGRDOPGGSA-N 1 0 417.557 4.430 20 30 HIEDRO Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000562046159 944909356 /nfs/dbraw/zinc/90/93/56/944909356.db2.gz BNTDCUCBHSFHQI-UHFFFAOYSA-N 1 0 406.368 4.282 20 30 HIEDRO CN(CCC[N@H+](C)Cc1ccco1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000562168057 944996149 /nfs/dbraw/zinc/99/61/49/944996149.db2.gz CAIRQYKGPCKWPZ-UHFFFAOYSA-N 1 0 402.498 4.060 20 30 HIEDRO C=CCOc1ccc(C[NH+]2CCC(n3ncc(C(=O)OCC)c3C)CC2)cc1Cl ZINC000566646128 946063717 /nfs/dbraw/zinc/06/37/17/946063717.db2.gz BVZCNDCWXCIFHD-UHFFFAOYSA-N 1 0 417.937 4.424 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)CCCC2(C)C ZINC000566708109 946079173 /nfs/dbraw/zinc/07/91/73/946079173.db2.gz JSZGUGFPLMVKHU-UHFFFAOYSA-N 1 0 411.575 4.224 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(F)cc3OC3CCOCC3)CC2)cc1 ZINC000567069107 946231731 /nfs/dbraw/zinc/23/17/31/946231731.db2.gz TWHGLSSGRZJKFU-UHFFFAOYSA-N 1 0 409.505 4.332 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CC3(CCC3)[C@H]2[C@H]2CCCO2)sc2c1CCCCC2 ZINC000567087316 946238529 /nfs/dbraw/zinc/23/85/29/946238529.db2.gz PRGWEEZOPXCZDR-WIYYLYMNSA-N 1 0 413.587 4.251 20 30 HIEDRO CC[C@@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1ccc(C#N)cc1 ZINC000567186346 946263407 /nfs/dbraw/zinc/26/34/07/946263407.db2.gz CXGUFYQGNKYYAY-LJQANCHMSA-N 1 0 400.320 4.182 20 30 HIEDRO COc1cc(OC)cc(N2CCC[N@H+](Cc3ccc(C#N)cc3C(F)(F)F)CC2)c1 ZINC000567802497 946415793 /nfs/dbraw/zinc/41/57/93/946415793.db2.gz HDACIIVJOBQFDU-UHFFFAOYSA-N 1 0 419.447 4.307 20 30 HIEDRO COc1ccc(C[C@H]2CCC[N@@H+]([C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)cc1 ZINC000568812555 946710504 /nfs/dbraw/zinc/71/05/04/946710504.db2.gz REQMPKALTXUEFK-RBBKRZOGSA-N 1 0 405.542 4.285 20 30 HIEDRO COc1ccc([C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)c2ccc(F)cc2)cc1 ZINC000569184729 946835424 /nfs/dbraw/zinc/83/54/24/946835424.db2.gz AIJBMBVUUZWEKF-RCZVLFRGSA-N 1 0 420.484 4.019 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+][C@H]3CCN(c4ccccc4C(F)(F)F)C3)CC2)cc1 ZINC000570553283 947293160 /nfs/dbraw/zinc/29/31/60/947293160.db2.gz LMZBHHDBHCETEV-IBGZPJMESA-N 1 0 414.475 4.414 20 30 HIEDRO N#Cc1ccc(C[NH2+]C2CCN(C(=O)NC3CCCCC3)CC2)c(C(F)(F)F)c1 ZINC000571665265 947739417 /nfs/dbraw/zinc/73/94/17/947739417.db2.gz XJWYOCKHFMLNHE-UHFFFAOYSA-N 1 0 408.468 4.173 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)c(C(F)(F)F)c1 ZINC000571696506 947752091 /nfs/dbraw/zinc/75/20/91/947752091.db2.gz BBVMBHITUIOHBE-IBGZPJMESA-N 1 0 405.464 4.192 20 30 HIEDRO CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+][C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000571986780 947826186 /nfs/dbraw/zinc/82/61/86/947826186.db2.gz QOIJYLWPKQSBNC-VKFKNLQPSA-N 1 0 423.532 4.402 20 30 HIEDRO C=CCn1c(Cc2ccsc2)nnc1N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000572169537 947854956 /nfs/dbraw/zinc/85/49/56/947854956.db2.gz XVHMCXSFJBBKLG-IBGZPJMESA-N 1 0 407.587 4.217 20 30 HIEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)CC2 ZINC000573143626 948088847 /nfs/dbraw/zinc/08/88/47/948088847.db2.gz UJTHASQZHUNKJZ-VXKWHMMOSA-N 1 0 415.459 4.227 20 30 HIEDRO N#Cc1ccc(C[NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)c(C(F)(F)F)c1 ZINC000574049986 948353790 /nfs/dbraw/zinc/35/37/90/948353790.db2.gz VNJQJJSURXGEOC-FQEVSTJZSA-N 1 0 423.866 4.394 20 30 HIEDRO C=C(C)Cn1c(-c2ccc(Br)s2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC000575765489 948695439 /nfs/dbraw/zinc/69/54/39/948695439.db2.gz UOMJZQSAXHCYSX-UHFFFAOYSA-N 1 0 424.412 4.312 20 30 HIEDRO C[C@@]12CCC[N@@H+]1C[C@H](c1noc(-c3cccc(COc4cccc(C#N)c4)c3)n1)OC2 ZINC000575955015 948800805 /nfs/dbraw/zinc/80/08/05/948800805.db2.gz QXWWSHIVPQFDAT-QPPBQGQZSA-N 1 0 416.481 4.113 20 30 HIEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCC(F)(C[NH3+])CC3)cc2c1Cl ZINC001164387996 718813711 /nfs/dbraw/zinc/81/37/11/718813711.db2.gz LOCYQPCJYLMERI-UHFFFAOYSA-N 1 0 403.235 4.225 20 30 HIEDRO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC001164629054 719089757 /nfs/dbraw/zinc/08/97/57/719089757.db2.gz QPOYYEVVBRBVJC-KNQAVFIVSA-N 1 0 417.557 4.039 20 30 HIEDRO N#Cc1cc(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)nc2ccc([N+](=O)[O-])cc12 ZINC001164629037 719110457 /nfs/dbraw/zinc/11/04/57/719110457.db2.gz QNTMSCBKEVRFLX-FDDCHVKYSA-N 1 0 413.481 4.115 20 30 HIEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@@H]3CC[N@@H+]4Cc3cccnc3)c12 ZINC001164725335 720490655 /nfs/dbraw/zinc/49/06/55/720490655.db2.gz JUHUNRYJKBQUOB-UXHICEINSA-N 1 0 421.907 4.456 20 30 HIEDRO Cc1ccc(C[NH+]2CCC3(CCN(c4ncc5c(C#N)c[nH]c5n4)CC3)CC2)cc1 ZINC001164759831 721045084 /nfs/dbraw/zinc/04/50/84/721045084.db2.gz QWBVYBOSJNEDHH-UHFFFAOYSA-N 1 0 400.530 4.021 20 30 HIEDRO Cc1c(Cl)c(Cl)nc(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N ZINC001164900528 721520424 /nfs/dbraw/zinc/52/04/24/721520424.db2.gz RVZVPCAJPAXLPE-GOEBONIOSA-N 1 0 421.303 4.050 20 30 HIEDRO C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(Cl)cc(Cl)c3C#N)C[C@@H]21 ZINC001165028961 721830254 /nfs/dbraw/zinc/83/02/54/721830254.db2.gz WAIBVYBOIRTFAW-UCLAIMLFSA-N 1 0 416.356 4.392 20 30 HIEDRO C[NH+](C)CC1CCN(c2nc(C#C[Si](C)(C)C)ccc2NC(=O)C(C)(C)C)CC1 ZINC001165044866 721947625 /nfs/dbraw/zinc/94/76/25/721947625.db2.gz JOZHLJINBWVCDQ-UHFFFAOYSA-N 1 0 414.670 4.073 20 30 HIEDRO CCc1ccccc1NC(=S)C(C(=O)c1ccc([N+](=O)[O-])cc1)[n+]1ccccc1 ZINC000007746718 845404123 /nfs/dbraw/zinc/40/41/23/845404123.db2.gz WFVAKGMIEIDVPX-UHFFFAOYSA-O 1 0 406.487 4.496 20 30 HIEDRO Cc1cc(C(O)=CONC(=[NH2+])C23CC4CC(CC(C4)C2)C3)c(C)n1-c1nccs1 ZINC000022184958 846541738 /nfs/dbraw/zinc/54/17/38/846541738.db2.gz JOVJYFZORLSWER-UHFFFAOYSA-N 1 0 412.559 4.239 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000436362664 861694921 /nfs/dbraw/zinc/69/49/21/861694921.db2.gz IREIGHDTNNRSEY-DHIUTWEWSA-N 1 0 405.567 4.147 20 30 HIEDRO C=CCNC(=S)C(C(=O)c1ccc(OC)cc1)[n+]1ccc(Cc2ccccc2)cc1 ZINC000022688082 846604300 /nfs/dbraw/zinc/60/43/00/846604300.db2.gz QMURGIRQXKFEHJ-UHFFFAOYSA-O 1 0 417.554 4.288 20 30 HIEDRO Cc1ccc(C(=O)C(C(=S)NC[C@@H]2CCCO2)[n+]2ccc(C(C)(C)C)cc2)s1 ZINC000022692132 846604931 /nfs/dbraw/zinc/60/49/31/846604931.db2.gz WVEBGXBYALZQJZ-KRWDZBQOSA-O 1 0 417.620 4.349 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)NCc2ccccc2)[n+]2ccc(N(C)C)cc2)c(C)s1 ZINC000022730832 846610451 /nfs/dbraw/zinc/61/04/51/846610451.db2.gz JCIRZZVVNCURRT-UHFFFAOYSA-O 1 0 424.615 4.447 20 30 HIEDRO CN(C)c1cc[n+](C(C(=O)c2cc(F)ccc2F)C(=S)Nc2ccccc2)cc1 ZINC000022730053 846610531 /nfs/dbraw/zinc/61/05/31/846610531.db2.gz LZBJRQBGCPEARG-UHFFFAOYSA-O 1 0 412.485 4.369 20 30 HIEDRO CCc1cc[n+](C(C(=O)c2ccc([N+](=O)[O-])cc2)C(=S)NCc2ccccc2)cc1 ZINC000022730641 846610618 /nfs/dbraw/zinc/61/06/18/846610618.db2.gz FPWLJRBFVRVGSX-UHFFFAOYSA-O 1 0 420.514 4.173 20 30 HIEDRO CCC(CC)c1cc[n+](C(C(=O)c2[nH]c(C)c(C(C)=O)c2C)C(=S)NC)cc1 ZINC000022733914 846611599 /nfs/dbraw/zinc/61/15/99/846611599.db2.gz DMFBPHFCTXGSNS-UHFFFAOYSA-O 1 0 400.568 4.183 20 30 HIEDRO Cc1ccc[n+](C(C(=O)c2ccc(F)cc2F)C(=S)NCCc2ccccc2)c1 ZINC000022735604 846612600 /nfs/dbraw/zinc/61/26/00/846612600.db2.gz OMFSHTSVBWQLKN-UHFFFAOYSA-O 1 0 411.497 4.332 20 30 HIEDRO CCCNC(=S)C(C(=O)c1ccccc1Br)[n+]1ccccc1CC ZINC000022804475 846622426 /nfs/dbraw/zinc/62/24/26/846622426.db2.gz OBVLLJDDJWMBDT-UHFFFAOYSA-O 1 0 406.369 4.237 20 30 HIEDRO COc1ccc(CCNC(=S)C(C(=O)c2ccccc2)[n+]2cccc(C)c2)cc1 ZINC000022801060 846622488 /nfs/dbraw/zinc/62/24/88/846622488.db2.gz YMRAHHWQFQTYSI-UHFFFAOYSA-O 1 0 405.543 4.062 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(Br)cc1)[n+]1ccccc1CC ZINC000022797385 846622580 /nfs/dbraw/zinc/62/25/80/846622580.db2.gz NLTQHAITJXUJKH-UHFFFAOYSA-O 1 0 418.380 4.404 20 30 HIEDRO COc1ccc(CCNC(=S)C(C(=O)c2ccc(C)s2)[n+]2ccccc2)cc1 ZINC000022802983 846622750 /nfs/dbraw/zinc/62/27/50/846622750.db2.gz GQRPTDGPBOEHCN-UHFFFAOYSA-O 1 0 411.572 4.124 20 30 HIEDRO CCCNC(=S)C(C(=O)c1cccc([N+](=O)[O-])c1)[n+]1ccc(C(C)(C)C)cc1 ZINC000022803797 846622910 /nfs/dbraw/zinc/62/29/10/846622910.db2.gz IPJDPYCBGZFCBF-UHFFFAOYSA-O 1 0 400.524 4.118 20 30 HIEDRO Cc1cc(C(=O)C(C(=S)Nc2ccc(C)cc2C)[n+]2cccc(CO)c2)c(C)[nH]1 ZINC000023603674 846726950 /nfs/dbraw/zinc/72/69/50/846726950.db2.gz UVRPRQCBDQZYIE-UHFFFAOYSA-O 1 0 408.547 4.079 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](c3nc4ccccc4o3)C1)CCC2 ZINC000024668184 846851794 /nfs/dbraw/zinc/85/17/94/846851794.db2.gz FBKWNOQQYCOKLD-OAHLLOKOSA-N 1 0 420.538 4.458 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000025507724 846988795 /nfs/dbraw/zinc/98/87/95/846988795.db2.gz RHXWBPLGWLSYJR-HXUWFJFHSA-N 1 0 405.542 4.285 20 30 HIEDRO C=CCOc1cccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)c1 ZINC000026311728 847122860 /nfs/dbraw/zinc/12/28/60/847122860.db2.gz YBCPAJCTVPHYHJ-SFHVURJKSA-N 1 0 402.560 4.133 20 30 HIEDRO O[C@]1(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CCC[C@@H](C(F)(F)F)C1 ZINC000436413642 861765779 /nfs/dbraw/zinc/76/57/79/861765779.db2.gz RITVLTHMPXNNRP-IUODEOHRSA-N 1 0 403.338 4.340 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)Nc3cccc(Cl)c3Cl)CC2)cc1 ZINC000028960661 847484219 /nfs/dbraw/zinc/48/42/19/847484219.db2.gz TWMKHVWNIPISEA-UHFFFAOYSA-N 1 0 417.340 4.011 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(CC(=O)Nc3c(Cl)cccc3Cl)CC2)cc1 ZINC000028960698 847484613 /nfs/dbraw/zinc/48/46/13/847484613.db2.gz BXBJBYPBERCWGP-UHFFFAOYSA-N 1 0 417.340 4.011 20 30 HIEDRO COc1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2cccc(C#N)c2)cc1Br ZINC000030509670 847725000 /nfs/dbraw/zinc/72/50/00/847725000.db2.gz PDIJXVDNYFZBKU-CHWSQXEVSA-N 1 0 402.292 4.007 20 30 HIEDRO CC[C@@H](CNC(=O)c1cc(C2CC2)nc(SC)c1C#N)[N@@H+]1CCc2ccccc2C1 ZINC000032447113 848028898 /nfs/dbraw/zinc/02/88/98/848028898.db2.gz DMHRWHPRLZKZFA-IBGZPJMESA-N 1 0 420.582 4.119 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(OCc2ccccc2C#N)cc1)c1cccc(F)c1 ZINC000032483709 848037995 /nfs/dbraw/zinc/03/79/95/848037995.db2.gz KSNWPVVWWWNNOO-DEOSSOPVSA-N 1 0 417.484 4.309 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000045154976 848640759 /nfs/dbraw/zinc/64/07/59/848640759.db2.gz MEQHQDHONNEYKK-QHCPKHFHSA-N 1 0 402.498 4.014 20 30 HIEDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N(C)Cc2ccc(C#N)cc2)C1 ZINC000046129844 848787773 /nfs/dbraw/zinc/78/77/73/848787773.db2.gz XXEZEKWVNOSNLI-PMACEKPBSA-N 1 0 404.558 4.378 20 30 HIEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 ZINC000046374539 848835354 /nfs/dbraw/zinc/83/53/54/848835354.db2.gz JOKOQKUPKDWLNN-LJQANCHMSA-N 1 0 406.530 4.328 20 30 HIEDRO CN(C)c1c(Cl)cccc1NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000048739688 849261456 /nfs/dbraw/zinc/26/14/56/849261456.db2.gz PETHBCDPAQHDQD-UHFFFAOYSA-N 1 0 411.937 4.017 20 30 HIEDRO C[N@@H+](CC(=O)Nc1ccccc1SCC#N)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC000051132771 849434195 /nfs/dbraw/zinc/43/41/95/849434195.db2.gz DAMQTQICBXZNNR-WMZHIEFXSA-N 1 0 409.555 4.340 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCSc4ccccc43)CC2)cc1 ZINC000053962666 849783024 /nfs/dbraw/zinc/78/30/24/849783024.db2.gz XUXINLJXKDBMEG-OAQYLSRUSA-N 1 0 406.555 4.013 20 30 HIEDRO Cc1ccc(C(=O)C2CC[NH+](CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 ZINC000054299396 849841887 /nfs/dbraw/zinc/84/18/87/849841887.db2.gz JWGPVMGBDXYKAM-UHFFFAOYSA-N 1 0 409.917 4.444 20 30 HIEDRO C[N@H+](CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(OC(F)F)cc1 ZINC000054425276 849864880 /nfs/dbraw/zinc/86/48/80/849864880.db2.gz SBHKOETYBSMGJM-UHFFFAOYSA-N 1 0 405.470 4.170 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000054538569 849886230 /nfs/dbraw/zinc/88/62/30/849886230.db2.gz UEXCBPGEWGQGGY-UHFFFAOYSA-N 1 0 410.493 4.271 20 30 HIEDRO COc1ccc(-c2nc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)cs2)cc1 ZINC000054642909 849898285 /nfs/dbraw/zinc/89/82/85/849898285.db2.gz QORFVSQBPZISBL-UHFFFAOYSA-N 1 0 418.566 4.398 20 30 HIEDRO C=C(C)CNC(=S)C(C(=O)c1ccc(CC(C)C)cc1)[n+]1ccc(N(C)C)cc1 ZINC000055012709 849955629 /nfs/dbraw/zinc/95/56/29/849955629.db2.gz GOQQXMXPGZJUEO-UHFFFAOYSA-O 1 0 410.607 4.343 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1cccc(NC(=O)c2ccccc2)c1)C(=O)Nc1cccc(C#N)c1 ZINC000056153337 850258357 /nfs/dbraw/zinc/25/83/57/850258357.db2.gz NQXOSUWNRBWRLN-QZTJIDSGSA-N 1 0 412.493 4.488 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000056845668 850500386 /nfs/dbraw/zinc/50/03/86/850500386.db2.gz TZUYXSFGWBCWGD-UHFFFAOYSA-N 1 0 407.558 4.366 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCc4c3cccc4Cl)CC2)cc1 ZINC000056900969 850513543 /nfs/dbraw/zinc/51/35/43/850513543.db2.gz BDRRWNJZCVQFOC-QFIPXVFZSA-N 1 0 408.933 4.116 20 30 HIEDRO Cc1c2ccccc2oc1[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000056904856 850514643 /nfs/dbraw/zinc/51/46/43/850514643.db2.gz FMJIPVBUWRCAAG-GOSISDBHSA-N 1 0 404.514 4.447 20 30 HIEDRO CC[NH+](CC)CC1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1 ZINC000056983077 850529552 /nfs/dbraw/zinc/52/95/52/850529552.db2.gz ATBDQVQTOZRSGM-UHFFFAOYSA-N 1 0 405.542 4.331 20 30 HIEDRO Cc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1 ZINC000058451632 850828715 /nfs/dbraw/zinc/82/87/15/850828715.db2.gz HZZMDWMNGCTTIC-UHFFFAOYSA-N 1 0 404.436 4.481 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)cc1Cl ZINC000060269443 851056942 /nfs/dbraw/zinc/05/69/42/851056942.db2.gz WEOWKMWTHDYPEA-HXUWFJFHSA-N 1 0 415.896 4.361 20 30 HIEDRO CC(C)(CNC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)c1cccc(Cl)c1 ZINC000060575994 851153072 /nfs/dbraw/zinc/15/30/72/851153072.db2.gz DRZXESKEHQNBHU-UHFFFAOYSA-N 1 0 424.976 4.407 20 30 HIEDRO C=CCN(C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1)c1nc2c(s1)CCCC2 ZINC000061116020 851297412 /nfs/dbraw/zinc/29/74/12/851297412.db2.gz MZGKINQUBDSDPX-UHFFFAOYSA-N 1 0 424.614 4.385 20 30 HIEDRO C=CCc1cc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cc(OC)c1OC ZINC000061286164 851338164 /nfs/dbraw/zinc/33/81/64/851338164.db2.gz ZMBHUPXTVBAXMH-UHFFFAOYSA-N 1 0 412.555 4.233 20 30 HIEDRO C=CCOc1ccc(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)cc1OC ZINC000062256742 851518932 /nfs/dbraw/zinc/51/89/32/851518932.db2.gz ZEQXWOGEPYEZSN-UHFFFAOYSA-N 1 0 420.303 4.084 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000062410884 851545855 /nfs/dbraw/zinc/54/58/55/851545855.db2.gz HPXOCHQOXFMALD-UHFFFAOYSA-N 1 0 400.910 4.206 20 30 HIEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000062603116 851579765 /nfs/dbraw/zinc/57/97/65/851579765.db2.gz STQMQNAVGLGOJM-UHFFFAOYSA-N 1 0 419.569 4.114 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000063400910 851679468 /nfs/dbraw/zinc/67/94/68/851679468.db2.gz XZHLLEJEMKEVCD-UHFFFAOYSA-N 1 0 422.529 4.479 20 30 HIEDRO Cc1ccc(C(=O)C(C(=S)Nc2ccc3c(c2)CCC3)[n+]2cccc(CO)c2)cc1 ZINC000063440820 851690337 /nfs/dbraw/zinc/69/03/37/851690337.db2.gz VCOCTWVYMCFUGW-UHFFFAOYSA-O 1 0 417.554 4.314 20 30 HIEDRO Cc1ccccc1C[N@@H+]1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 ZINC000063498009 851703336 /nfs/dbraw/zinc/70/33/36/851703336.db2.gz WOOIREONSZUJJX-UHFFFAOYSA-N 1 0 410.949 4.057 20 30 HIEDRO Cc1cccc(C)c1OC[C@@H](O)C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC000063525545 851707505 /nfs/dbraw/zinc/70/75/05/851707505.db2.gz ZZKJEOWXGKRMMW-DEOSSOPVSA-N 1 0 416.521 4.284 20 30 HIEDRO COCC[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1ccc(C#N)cc1 ZINC000063753964 851756184 /nfs/dbraw/zinc/75/61/84/851756184.db2.gz BBIGXNDKNSYWIN-UHFFFAOYSA-N 1 0 406.313 4.342 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000064237098 851855518 /nfs/dbraw/zinc/85/55/18/851855518.db2.gz QSOUXGBLGFUOOR-DEOSSOPVSA-N 1 0 402.542 4.401 20 30 HIEDRO C=CCN(Cc1ccccc1F)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000064244475 851857018 /nfs/dbraw/zinc/85/70/18/851857018.db2.gz LXLNOJSCQCWSAG-UHFFFAOYSA-N 1 0 401.551 4.497 20 30 HIEDRO COc1ccc(C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)cc1OCCCC#N ZINC000064614386 851940748 /nfs/dbraw/zinc/94/07/48/851940748.db2.gz JFDMHONGGJCHPZ-SFHVURJKSA-N 1 0 407.514 4.355 20 30 HIEDRO CC(C)[N@H+](CC(=O)N(CCC#N)CCC#N)Cc1ccc(-c2ccccc2F)s1 ZINC000064988124 852035298 /nfs/dbraw/zinc/03/52/98/852035298.db2.gz XIEVMRMYEFTNMA-UHFFFAOYSA-N 1 0 412.534 4.421 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cc1 ZINC000065416752 852125710 /nfs/dbraw/zinc/12/57/10/852125710.db2.gz GWEXFEKJQFXKES-HSZRJFAPSA-N 1 0 420.557 4.234 20 30 HIEDRO C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1 ZINC000065615303 852199507 /nfs/dbraw/zinc/19/95/07/852199507.db2.gz CRJLVXLAZYMLHL-NRFANRHFSA-N 1 0 422.529 4.052 20 30 HIEDRO CCc1ccc([C@H]([NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C(C)C)cc1 ZINC000065949695 852331345 /nfs/dbraw/zinc/33/13/45/852331345.db2.gz WBAMIZOQLQFYBF-HSZRJFAPSA-N 1 0 401.514 4.232 20 30 HIEDRO C=CCOc1ccc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1OC ZINC000065981696 852339822 /nfs/dbraw/zinc/33/98/22/852339822.db2.gz YWDKGTQCCABEMX-NRFANRHFSA-N 1 0 416.949 4.077 20 30 HIEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000071960399 852447248 /nfs/dbraw/zinc/44/72/48/852447248.db2.gz GLQFXZQCXFXITO-VAMGGRTRSA-N 1 0 405.542 4.120 20 30 HIEDRO COc1ccccc1[C@H](CNC(=O)Nc1cc(C#N)ccc1OC(C)C)[NH+]1CCCC1 ZINC000072019931 852468986 /nfs/dbraw/zinc/46/89/86/852468986.db2.gz YJFUHAUHDWTDBI-NRFANRHFSA-N 1 0 422.529 4.313 20 30 HIEDRO CC(C)[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)[NH+]1CCC(C)CC1 ZINC000108147130 852826092 /nfs/dbraw/zinc/82/60/92/852826092.db2.gz WAPFDLRGUWEWJP-OAQYLSRUSA-N 1 0 409.530 4.217 20 30 HIEDRO CC[NH+](CC)CCN(C(=O)c1ccc(C#N)c(C)n1)c1cccc(Br)c1 ZINC000109077336 852917511 /nfs/dbraw/zinc/91/75/11/852917511.db2.gz AANILFRIGHRGEM-UHFFFAOYSA-N 1 0 415.335 4.013 20 30 HIEDRO COc1ccc(-c2nc(CON=C(N)c3ccccc3C[NH+]3CCCCC3)co2)cc1 ZINC000109391029 852963436 /nfs/dbraw/zinc/96/34/36/852963436.db2.gz WJPZAIAFAIKDNX-UHFFFAOYSA-N 1 0 420.513 4.173 20 30 HIEDRO CCC[N@H+](CC(=O)N[C@@H](c1nccs1)c1ccccc1)Cc1ccc(C#N)cc1 ZINC000111177722 853217532 /nfs/dbraw/zinc/21/75/32/853217532.db2.gz PIAKCRAVMRPFFI-JOCHJYFZSA-N 1 0 404.539 4.133 20 30 HIEDRO CSCCNC(=S)C(C(=O)c1ccc(Cl)cc1Cl)[n+]1ccccc1 ZINC000131283301 853371808 /nfs/dbraw/zinc/37/18/08/853371808.db2.gz IFEXPCIMJWLITK-UHFFFAOYSA-O 1 0 400.376 4.172 20 30 HIEDRO C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000139804497 853422045 /nfs/dbraw/zinc/42/20/45/853422045.db2.gz JCDZLGLKHYAYEJ-CYBMUJFWSA-N 1 0 406.408 4.205 20 30 HIEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000195548622 853677956 /nfs/dbraw/zinc/67/79/56/853677956.db2.gz DPDNIDFLGQVCRO-UHFFFAOYSA-N 1 0 421.507 4.355 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]CCc3ccc4c(c3)OCCO4)c2)c1 ZINC000195599258 853706282 /nfs/dbraw/zinc/70/62/82/853706282.db2.gz PNIHLURQNVAJJG-UHFFFAOYSA-N 1 0 400.478 4.241 20 30 HIEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000195604901 853708748 /nfs/dbraw/zinc/70/87/48/853708748.db2.gz CSZGBSZCHXFXQD-OAQYLSRUSA-N 1 0 415.459 4.021 20 30 HIEDRO N#Cc1ccc(CN2CCC[N@@H+](CCOc3ccccc3C(F)(F)F)CC2)cc1 ZINC000215886269 853839289 /nfs/dbraw/zinc/83/92/89/853839289.db2.gz APHCVCMAGQBLCC-UHFFFAOYSA-N 1 0 403.448 4.164 20 30 HIEDRO CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cn(CCC#N)nc1-c1ccccc1 ZINC000236689139 853912083 /nfs/dbraw/zinc/91/20/83/853912083.db2.gz GZPDDZIGJZSKJV-OAQYLSRUSA-N 1 0 423.561 4.343 20 30 HIEDRO CC(C)NC(=O)[C@H]1CCC[C@H]([NH2+]Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000236689701 853912389 /nfs/dbraw/zinc/91/23/89/853912389.db2.gz OVONXEXNAZDMEX-REWPJTCUSA-N 1 0 405.542 4.310 20 30 HIEDRO CCN(CC)[C@@H](C[NH2+]Cc1cnc2ccc(C#N)cn12)c1ccc(C(F)(F)F)cc1 ZINC000236852663 853929206 /nfs/dbraw/zinc/92/92/06/853929206.db2.gz BCGFXWAXKJKEQM-FQEVSTJZSA-N 1 0 415.463 4.397 20 30 HIEDRO C=CCc1cc(C[NH2+]C2CCN(C(=O)[C@H](CC)c3ccccc3)CC2)cc(OC)c1O ZINC000236958691 853942696 /nfs/dbraw/zinc/94/26/96/853942696.db2.gz WAWMJGZHEXVSNP-HSZRJFAPSA-N 1 0 422.569 4.404 20 30 HIEDRO CCOc1cc(C[NH2+][C@@H](C)c2cccc(C#N)c2)ccc1OCC(=O)N1CCCCC1 ZINC000236992895 853948519 /nfs/dbraw/zinc/94/85/19/853948519.db2.gz DKCCPNBNPQZCMA-IBGZPJMESA-N 1 0 421.541 4.199 20 30 HIEDRO CCOc1ccc(NC(=O)C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000237051531 853957891 /nfs/dbraw/zinc/95/78/91/853957891.db2.gz HZHXAZIHYNTXAX-UHFFFAOYSA-N 1 0 415.493 4.264 20 30 HIEDRO COc1cc(C[NH2+]Cc2cccc(OCCCC#N)c2)cc(Br)c1OC ZINC000237117631 853966770 /nfs/dbraw/zinc/96/67/70/853966770.db2.gz FAHKDROBELUDDX-UHFFFAOYSA-N 1 0 419.319 4.439 20 30 HIEDRO CN(CCC#N)c1ccc(C[NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)cc1 ZINC000237214003 853984647 /nfs/dbraw/zinc/98/46/47/853984647.db2.gz JNMKYYZPEWWFHN-UHFFFAOYSA-N 1 0 411.553 4.284 20 30 HIEDRO N#CCCCOc1cccc(C[NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)c1 ZINC000237850212 854107256 /nfs/dbraw/zinc/10/72/56/854107256.db2.gz NRDVTIIUKQQTBF-SFHVURJKSA-N 1 0 401.457 4.339 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3nc(-c4ccncc4)nc4ccccc43)CC2)cc1 ZINC000301097355 854295193 /nfs/dbraw/zinc/29/51/93/854295193.db2.gz WQGLBXNERJNMTN-UHFFFAOYSA-N 1 0 420.520 4.276 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCCN(c3nc(-c4cccnc4)nc4ccccc43)CC2)cc1 ZINC000301106199 854297459 /nfs/dbraw/zinc/29/74/59/854297459.db2.gz TYIQVTGJBMCRFJ-UHFFFAOYSA-N 1 0 420.520 4.276 20 30 HIEDRO Cc1cc(N[C@H](C[NH+]2CCN(C)CC2)c2ccccc2)n2c3ccccc3nc2c1C#N ZINC000301180404 854321403 /nfs/dbraw/zinc/32/14/03/854321403.db2.gz ZAJIVQQNKYUXIQ-HSZRJFAPSA-N 1 0 424.552 4.068 20 30 HIEDRO C[C@H]1C[NH+](Cc2ccc(CNc3nc(C(F)(F)F)ccc3C#N)cc2)C[C@H](C)O1 ZINC000301252117 854339976 /nfs/dbraw/zinc/33/99/76/854339976.db2.gz CKRPVRRDYSDDOD-GJZGRUSLSA-N 1 0 404.436 4.193 20 30 HIEDRO COc1ccc([C@H](CNc2c(C#N)cnc3c(C)cc(F)cc32)[NH+](C)C)cc1OC ZINC000302564969 854586613 /nfs/dbraw/zinc/58/66/13/854586613.db2.gz OFOCXGYIKIFSCV-IBGZPJMESA-N 1 0 408.477 4.286 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)CCSc3ccc(Cl)cc3)CC2)cc1 ZINC000302895586 854669691 /nfs/dbraw/zinc/66/96/91/854669691.db2.gz GDDBNNHPVDGNPQ-UHFFFAOYSA-N 1 0 413.974 4.428 20 30 HIEDRO CCc1cccc(CC)c1NC(=O)CON=C(N)c1cccc(C[NH+]2CCCCC2)c1 ZINC000303071776 854747367 /nfs/dbraw/zinc/74/73/67/854747367.db2.gz XJLBOJVMJAUJPD-UHFFFAOYSA-N 1 0 422.573 4.073 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)CCN1c2ccccc2Sc2ccccc21 ZINC000303284286 854851739 /nfs/dbraw/zinc/85/17/39/854851739.db2.gz VJPDCLJRDCBTJJ-UHFFFAOYSA-N 1 0 408.571 4.373 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[NH+](CC2CCCCC2)CC1 ZINC000303377084 854898796 /nfs/dbraw/zinc/89/87/96/854898796.db2.gz LQGSIRBTSNIKSL-LJQANCHMSA-N 1 0 414.619 4.217 20 30 HIEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303625268 855085001 /nfs/dbraw/zinc/08/50/01/855085001.db2.gz NTOWQVCKNCZNHY-RTWAWAEBSA-N 1 0 414.569 4.049 20 30 HIEDRO C=CCOc1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1OC ZINC000303816149 855218796 /nfs/dbraw/zinc/21/87/96/855218796.db2.gz ZYTCGXOWSOVBHE-KNQAVFIVSA-N 1 0 408.542 4.385 20 30 HIEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CCN(c3cccc(Br)c3)C2)c1 ZINC000303878072 855265676 /nfs/dbraw/zinc/26/56/76/855265676.db2.gz IYTQFOOAFSTFQA-MRXNPFEDSA-N 1 0 401.352 4.319 20 30 HIEDRO [NH2+]=C(NCc1ccccc1OCC(F)(F)F)Nc1ccc(OC(F)(F)F)cc1 ZINC000303878827 855266559 /nfs/dbraw/zinc/26/65/59/855266559.db2.gz JJDBHZZUTMBKQZ-UHFFFAOYSA-N 1 0 407.314 4.453 20 30 HIEDRO CC[C@H](C)c1ccc(NC(=[NH2+])NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1 ZINC000303892743 855273648 /nfs/dbraw/zinc/27/36/48/855273648.db2.gz RLKQKOAACQBWIP-HTAPYJJXSA-N 1 0 408.546 4.036 20 30 HIEDRO [NH2+]=C(NCCc1ccccc1)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 ZINC000303983653 855336010 /nfs/dbraw/zinc/33/60/10/855336010.db2.gz RJXPKUIFASZFAZ-UHFFFAOYSA-N 1 0 409.537 4.245 20 30 HIEDRO COc1cccc(N2CC[C@@H](CNC(=[NH2+])N[C@H](C)c3ccc(Cl)cc3Cl)C2)c1 ZINC000303985253 855336807 /nfs/dbraw/zinc/33/68/07/855336807.db2.gz STPWGVYFEMMXML-CABCVRRESA-N 1 0 421.372 4.494 20 30 HIEDRO Cc1cc(C)cc(NC(=[NH2+])NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c1 ZINC000303989581 855337570 /nfs/dbraw/zinc/33/75/70/855337570.db2.gz XQBGXWJNAMUWFH-HXUWFJFHSA-N 1 0 420.479 4.122 20 30 HIEDRO [NH2+]=C(NCc1ccc(Br)s1)NCc1ccc(OC(F)(F)F)cc1 ZINC000304518251 855356498 /nfs/dbraw/zinc/35/64/98/855356498.db2.gz WMTUDLRIAQSZHM-UHFFFAOYSA-N 1 0 408.243 4.014 20 30 HIEDRO [NH2+]=C(NCc1cccc(COCc2ccccc2)c1)N[C@@H]1CCOc2ccccc21 ZINC000304516943 855356620 /nfs/dbraw/zinc/35/66/20/855356620.db2.gz ZPVHELVPRYNHCU-HSZRJFAPSA-N 1 0 401.510 4.332 20 30 HIEDRO [NH2+]=C(NC[C@@H](c1cccs1)N1CCOCC1)Nc1cccc(Oc2ccccc2)c1 ZINC000304494881 855356648 /nfs/dbraw/zinc/35/66/48/855356648.db2.gz PDHDTZRZNPYCRP-NRFANRHFSA-N 1 0 422.554 4.341 20 30 HIEDRO CC[C@H](CNC(=[NH2+])Nc1ccc(OC)c(OC)c1)Oc1cccc(C(F)(F)F)c1 ZINC000304798816 855358657 /nfs/dbraw/zinc/35/86/57/855358657.db2.gz XPFVDQXGJUIGAL-OAHLLOKOSA-N 1 0 411.424 4.307 20 30 HIEDRO [NH2+]=C(NCC1(c2cccc(Br)c2)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000304764894 855358681 /nfs/dbraw/zinc/35/86/81/855358681.db2.gz YQIYCBKMFMHMHI-UHFFFAOYSA-N 1 0 416.319 4.069 20 30 HIEDRO COc1ccc([C@@H](CNC(=[NH2+])Nc2ccccc2OC(F)(F)F)N2CCCC2)cc1 ZINC000305239832 855361242 /nfs/dbraw/zinc/36/12/42/855361242.db2.gz QKGGZYYUDPKVCO-GOSISDBHSA-N 1 0 422.451 4.158 20 30 HIEDRO C[C@H](NC(=[NH2+])NCc1ccc(N2CCOC2=O)cc1)c1ccc(Cl)cc1Cl ZINC000305841673 855362073 /nfs/dbraw/zinc/36/20/73/855362073.db2.gz ZNXCYMPQYBOXMO-LBPRGKRZSA-N 1 0 407.301 4.116 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000426044790 856069521 /nfs/dbraw/zinc/06/95/21/856069521.db2.gz MTOFOGQWUTXLAX-SFHVURJKSA-N 1 0 416.978 4.424 20 30 HIEDRO COCC[N@H+](C)CC[C@H](NC(=O)Nc1ccc(C#N)cc1Cl)c1ccccc1 ZINC000426140875 856134582 /nfs/dbraw/zinc/13/45/82/856134582.db2.gz QNJJOMCKYBUJBR-IBGZPJMESA-N 1 0 400.910 4.043 20 30 HIEDRO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[N@H+](C)C[C@@H]3CCOC3)sc2C1 ZINC000426435709 856288977 /nfs/dbraw/zinc/28/89/77/856288977.db2.gz DNHRXPHHMANLGX-JKSUJKDBSA-N 1 0 403.592 4.068 20 30 HIEDRO Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](CC#Cc3ccc(C(F)(F)F)cc3)C2)nc1 ZINC000427005490 856591424 /nfs/dbraw/zinc/59/14/24/856591424.db2.gz SWUSUNKYSAULPY-GOSISDBHSA-N 1 0 401.432 4.111 20 30 HIEDRO Cc1nc(SCC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)c(C#N)c(C)c1C ZINC000437475911 862836503 /nfs/dbraw/zinc/83/65/03/862836503.db2.gz MVEUZNPYBDFPTL-KRWDZBQOSA-N 1 0 422.598 4.094 20 30 HIEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)Nc3cc(C[NH+]4CCCC4)ccc3C)C2)n1 ZINC000427491914 856840166 /nfs/dbraw/zinc/84/01/66/856840166.db2.gz BVWRFOZTONIFBO-QFIPXVFZSA-N 1 0 417.557 4.021 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2F)C1)c1ncc(Br)cc1F ZINC000427717227 856921595 /nfs/dbraw/zinc/92/15/95/856921595.db2.gz FPRPCWKQUJHHHH-IUODEOHRSA-N 1 0 421.289 4.314 20 30 HIEDRO C[C@H]1C[C@@H](NC(=O)NCCSCc2ccccc2C#N)CC[N@@H+]1Cc1ccccc1 ZINC000428258084 857130241 /nfs/dbraw/zinc/13/02/41/857130241.db2.gz DGJATRNFAJOECV-CVDCTZTESA-N 1 0 422.598 4.144 20 30 HIEDRO Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000428802655 857350160 /nfs/dbraw/zinc/35/01/60/857350160.db2.gz HIRPRBUTYKXTTK-NRFANRHFSA-N 1 0 421.932 4.122 20 30 HIEDRO C[N@H+](CCc1cccc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)c1)C1CC1 ZINC000429088624 857504492 /nfs/dbraw/zinc/50/44/92/857504492.db2.gz BESYYWBLGICWNX-UHFFFAOYSA-N 1 0 413.525 4.353 20 30 HIEDRO C[C@H](CC#N)Sc1ccccc1NC(=O)C[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000429122930 857520675 /nfs/dbraw/zinc/52/06/75/857520675.db2.gz RVMGRBDHMGRMMP-PZPWOCDFSA-N 1 0 415.584 4.373 20 30 HIEDRO N#Cc1ccc(NC(=O)CC[NH+]2CCC(c3ncccc3Cl)CC2)cc1Cl ZINC000429222728 857562017 /nfs/dbraw/zinc/56/20/17/857562017.db2.gz SHKAXVRMVYUZEV-UHFFFAOYSA-N 1 0 403.313 4.468 20 30 HIEDRO C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000429408535 857649613 /nfs/dbraw/zinc/64/96/13/857649613.db2.gz XAVFNYPDJBYNTQ-IRXDYDNUSA-N 1 0 414.619 4.022 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000429408531 857649806 /nfs/dbraw/zinc/64/98/06/857649806.db2.gz XAVFNYPDJBYNTQ-DLBZAZTESA-N 1 0 414.619 4.022 20 30 HIEDRO CS(=O)(=O)c1ccc(C[NH2+]C2CCC(C#N)(c3ccccc3)CC2)cc1Cl ZINC000429422184 857657899 /nfs/dbraw/zinc/65/78/99/857657899.db2.gz GUYFREMJEHPJPU-UHFFFAOYSA-N 1 0 402.947 4.237 20 30 HIEDRO COc1ccc([C@@H](CNC(=O)c2cccc(SCC#N)c2)[NH+]2CCCCC2)cc1 ZINC000429971206 857975234 /nfs/dbraw/zinc/97/52/34/857975234.db2.gz ZMLNWLAPWCLKLD-JOCHJYFZSA-N 1 0 409.555 4.268 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCC[C@H]2c2ccc(Br)c(F)c2)CC1 ZINC000430577785 858225138 /nfs/dbraw/zinc/22/51/38/858225138.db2.gz VGZQRTRZVLNVSW-IBGZPJMESA-N 1 0 424.358 4.475 20 30 HIEDRO CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000430671303 858261522 /nfs/dbraw/zinc/26/15/22/858261522.db2.gz WJNNOFOMGUZJFR-KWOQKUFVSA-N 1 0 405.542 4.131 20 30 HIEDRO C=CCC[C@@H]([NH2+][C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1)c1ccccc1 ZINC000430708901 858274928 /nfs/dbraw/zinc/27/49/28/858274928.db2.gz VIMAZVVHNZYAES-RDTXWAMCSA-N 1 0 423.376 4.455 20 30 HIEDRO C=CCN1C(=O)N(Cc2cccc(C[NH+](CC)CC)c2)C(=O)[C@@H]1Cc1ccccc1 ZINC000430739363 858282767 /nfs/dbraw/zinc/28/27/67/858282767.db2.gz CSPKRCRTGWGWKI-QHCPKHFHSA-N 1 0 405.542 4.090 20 30 HIEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)Nc2cccc(C#N)c2C)CC1 ZINC000431703198 858751197 /nfs/dbraw/zinc/75/11/97/858751197.db2.gz FULSHPXPNBXWQR-QGZVFWFLSA-N 1 0 409.509 4.030 20 30 HIEDRO N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1Cl ZINC000437732544 863061948 /nfs/dbraw/zinc/06/19/48/863061948.db2.gz MSGHVMXBWCAAQM-PZJWPPBQSA-N 1 0 406.917 4.473 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000432760092 859339060 /nfs/dbraw/zinc/33/90/60/859339060.db2.gz LXQUHNBRWPBGMB-UHFFFAOYSA-N 1 0 418.541 4.477 20 30 HIEDRO COc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@H](CCCC#N)c2ccccc2)c(OC)c1 ZINC000433010763 859476426 /nfs/dbraw/zinc/47/64/26/859476426.db2.gz LRPBXXMFWYHCMY-DHIUTWEWSA-N 1 0 421.541 4.392 20 30 HIEDRO N#CCCC[C@H]([NH2+]C[C@@H](O)COc1ccc(Br)cc1)c1ccccc1 ZINC000433016978 859479833 /nfs/dbraw/zinc/47/98/33/859479833.db2.gz WDXYHQACPOJRBV-QUCCMNQESA-N 1 0 403.320 4.214 20 30 HIEDRO N#CCCC[C@H]([NH2+]CC(=O)N[C@@H](c1nccs1)c1ccccc1)c1ccccc1 ZINC000433034284 859491842 /nfs/dbraw/zinc/49/18/42/859491842.db2.gz XWCPZBYABJIYNY-RBBKRZOGSA-N 1 0 404.539 4.373 20 30 HIEDRO N#CCCn1cc(CNCC2([NH+]3CCCCC3)CCCCC2)c(-c2ccncc2)n1 ZINC000433302053 859624956 /nfs/dbraw/zinc/62/49/56/859624956.db2.gz IAWBCMUDFICYPQ-UHFFFAOYSA-N 1 0 406.578 4.137 20 30 HIEDRO CC(C)(C)OCc1cccc(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000433316430 859636218 /nfs/dbraw/zinc/63/62/18/859636218.db2.gz GEHHOYWEDXRGKO-UHFFFAOYSA-N 1 0 403.530 4.464 20 30 HIEDRO C=CC[N@@H+](CCC(=O)Nc1cc(OC)c(Cl)cc1OC)Cc1cccc(C#N)c1 ZINC000434827439 860510584 /nfs/dbraw/zinc/51/05/84/860510584.db2.gz JZERFQLZKVMFIJ-UHFFFAOYSA-N 1 0 413.905 4.246 20 30 HIEDRO C=CCN(CCc1ccccc1)CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C ZINC000434837527 860514441 /nfs/dbraw/zinc/51/44/41/860514441.db2.gz UNHWHAPOROIRSG-UHFFFAOYSA-N 1 0 402.542 4.467 20 30 HIEDRO COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)c1 ZINC000434986019 860587075 /nfs/dbraw/zinc/58/70/75/860587075.db2.gz FASGCMAVBWIQOZ-JPYJTQIMSA-N 1 0 401.514 4.450 20 30 HIEDRO CC1CCC([N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C[C@H]2CCCO2)CC1 ZINC000435128051 860653694 /nfs/dbraw/zinc/65/36/94/860653694.db2.gz BETDLNFUDPLSJX-ZUEZHPSSSA-N 1 0 407.562 4.418 20 30 HIEDRO C[N@H+](CCCOc1ccc(Cl)cc1)Cc1cn(CCC#N)nc1-c1ccncc1 ZINC000435132224 860656077 /nfs/dbraw/zinc/65/60/77/860656077.db2.gz WBLZQMKGDITWSS-UHFFFAOYSA-N 1 0 409.921 4.413 20 30 HIEDRO C=CCOc1ccccc1C(=O)Nc1cc(C)nn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000435294566 860723942 /nfs/dbraw/zinc/72/39/42/860723942.db2.gz KNKKGPCSNPZHRF-NRFANRHFSA-N 1 0 416.525 4.456 20 30 HIEDRO CCCC(CCC)N(CC1C[C@H]2CC[C@@H](C1)[N@H+]2C)S(=O)(=O)c1ccc(C#N)s1 ZINC000435436660 860798243 /nfs/dbraw/zinc/79/82/43/860798243.db2.gz GUKFCIGIARMAOM-JLYLLQBASA-N 1 0 423.648 4.452 20 30 HIEDRO Cc1oc(C#N)cc1C(=O)N1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000435688619 860969528 /nfs/dbraw/zinc/96/95/28/860969528.db2.gz RDPGRTMTBOBNJV-UHFFFAOYSA-N 1 0 405.420 4.215 20 30 HIEDRO C=C(C)COc1cccc(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)c1 ZINC000437741170 863067923 /nfs/dbraw/zinc/06/79/23/863067923.db2.gz BMHJSGKWMOJKRN-UHFFFAOYSA-N 1 0 421.541 4.247 20 30 HIEDRO N#Cc1ccc(Oc2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3C3CCCCC3)cc2)nc1 ZINC000437839568 863193976 /nfs/dbraw/zinc/19/39/76/863193976.db2.gz HROPDDBDHSFVJB-NRFANRHFSA-N 1 0 404.514 4.272 20 30 HIEDRO N#Cc1ccc(Oc2ccc(C(=O)NC[C@H]3CCC[N@@H+]3C3CCCCC3)cc2)nc1 ZINC000437839569 863194666 /nfs/dbraw/zinc/19/46/66/863194666.db2.gz HROPDDBDHSFVJB-OAQYLSRUSA-N 1 0 404.514 4.272 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000437847385 863203023 /nfs/dbraw/zinc/20/30/23/863203023.db2.gz ZDRRFPJLZFQCBG-LJQANCHMSA-N 1 0 406.530 4.474 20 30 HIEDRO CC(C)(C)Oc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000438368446 863829727 /nfs/dbraw/zinc/82/97/27/863829727.db2.gz BCMFGTSNEMKAGJ-UHFFFAOYSA-N 1 0 406.530 4.475 20 30 HIEDRO COc1cc(C[NH2+]C2CCC(Oc3ncccc3C#N)CC2)ccc1OC(F)F ZINC000438480207 863897359 /nfs/dbraw/zinc/89/73/59/863897359.db2.gz RSLTVSBMANOMEX-UHFFFAOYSA-N 1 0 403.429 4.043 20 30 HIEDRO COc1c(Br)cccc1C[NH2+]C1CCC(Oc2ncccc2C#N)CC1 ZINC000438484010 863899795 /nfs/dbraw/zinc/89/97/95/863899795.db2.gz GPDCIKPEXOAKPJ-UHFFFAOYSA-N 1 0 416.319 4.204 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)sc2c1CCCC2 ZINC000439000332 864455252 /nfs/dbraw/zinc/45/52/52/864455252.db2.gz AAMFDGLPMLMXIU-DFQSSKMNSA-N 1 0 415.603 4.233 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](C)CC[C@H]2O)c1 ZINC000439003924 864458670 /nfs/dbraw/zinc/45/86/70/864458670.db2.gz ONSKBDHFMYHNDN-PVERMEFCSA-N 1 0 411.590 4.202 20 30 HIEDRO CCCc1c(NC2CC[NH+](Cc3ccncc3)CC2)cnn1-c1cccc(C#N)c1 ZINC000439055467 864507392 /nfs/dbraw/zinc/50/73/92/864507392.db2.gz LSPUZEUNVKWKKL-UHFFFAOYSA-N 1 0 400.530 4.168 20 30 HIEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000439194886 864621100 /nfs/dbraw/zinc/62/11/00/864621100.db2.gz ZGIVZYZESHOLTG-VEXUSMLFSA-N 1 0 417.557 4.088 20 30 HIEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)CC1 ZINC000439194887 864621380 /nfs/dbraw/zinc/62/13/80/864621380.db2.gz ZGIVZYZESHOLTG-YGOYIFOWSA-N 1 0 417.557 4.088 20 30 HIEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000439310751 864740376 /nfs/dbraw/zinc/74/03/76/864740376.db2.gz AFKDUBLJHGDCBX-KRWDZBQOSA-N 1 0 407.518 4.088 20 30 HIEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc(C#N)cc2Cl)CC1 ZINC000439458774 864839073 /nfs/dbraw/zinc/83/90/73/864839073.db2.gz ULKGJUDPWFQGKK-MRXNPFEDSA-N 1 0 400.929 4.343 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1C#N ZINC000439495593 864853301 /nfs/dbraw/zinc/85/33/01/864853301.db2.gz SJCWYZARLCPWML-KRWDZBQOSA-N 1 0 407.518 4.088 20 30 HIEDRO CC(C)Oc1ccc(NC(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1C#N ZINC000439495594 864853379 /nfs/dbraw/zinc/85/33/79/864853379.db2.gz SJCWYZARLCPWML-QGZVFWFLSA-N 1 0 407.518 4.088 20 30 HIEDRO CCCc1c(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cnn1-c1cccc(C#N)c1 ZINC000439669977 865000680 /nfs/dbraw/zinc/00/06/80/865000680.db2.gz GDOFYGHWPXWWEU-MSOLQXFVSA-N 1 0 408.550 4.081 20 30 HIEDRO CCCc1c(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)cnn1-c1cccc(C#N)c1 ZINC000439682361 865017250 /nfs/dbraw/zinc/01/72/50/865017250.db2.gz DKBDKHPBBHMNFO-CTNGQTDRSA-N 1 0 420.561 4.175 20 30 HIEDRO CCCc1c(NC(=O)NCCCCC[NH+]2CCCCC2)cnn1-c1cccc(C#N)c1 ZINC000439689606 865026648 /nfs/dbraw/zinc/02/66/48/865026648.db2.gz AEDHRNOSFISNBR-UHFFFAOYSA-N 1 0 422.577 4.474 20 30 HIEDRO CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000440250695 865492044 /nfs/dbraw/zinc/49/20/44/865492044.db2.gz BFRWZOKZSDNWCL-XZOQPEGZSA-N 1 0 405.546 4.123 20 30 HIEDRO CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](CCC#N)c1ccccc1 ZINC000440250692 865492082 /nfs/dbraw/zinc/49/20/82/865492082.db2.gz BFRWZOKZSDNWCL-DHIUTWEWSA-N 1 0 405.546 4.123 20 30 HIEDRO N#Cc1ccc(C(=O)N(C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)cc1 ZINC000440437269 865739098 /nfs/dbraw/zinc/73/90/98/865739098.db2.gz HMPDUPYTHUMZQM-IBGZPJMESA-N 1 0 401.432 4.085 20 30 HIEDRO COc1cc(CNc2cc(NC(=O)C[N@@H+]3CCCC[C@@H]3C)ccc2F)ccc1C#N ZINC000440625582 865845493 /nfs/dbraw/zinc/84/54/93/865845493.db2.gz PDPXGAWWPKRYCW-INIZCTEOSA-N 1 0 410.493 4.131 20 30 HIEDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 ZINC000440657913 865858680 /nfs/dbraw/zinc/85/86/80/865858680.db2.gz GQXYVLRMSYCUQW-JOCHJYFZSA-N 1 0 411.477 4.221 20 30 HIEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)[N@@H+]1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000441329815 866401448 /nfs/dbraw/zinc/40/14/48/866401448.db2.gz DTMXVXDBXLXXGR-JPYJTQIMSA-N 1 0 408.521 4.364 20 30 HIEDRO N#Cc1ccc(OC[C@@H](O)C[NH+]2CCC(Sc3ccc(Cl)cc3)CC2)cc1 ZINC000441402883 866476933 /nfs/dbraw/zinc/47/69/33/866476933.db2.gz HZKOCTGHHXKBMX-SFHVURJKSA-N 1 0 402.947 4.208 20 30 HIEDRO C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1nnc(-c2cccc(C#N)c2)o1 ZINC000441518303 866594892 /nfs/dbraw/zinc/59/48/92/866594892.db2.gz APDYFYLTQVLEBA-UHFFFAOYSA-N 1 0 416.460 4.202 20 30 HIEDRO C=CCc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc3ccc(F)cc3o2)C1 ZINC000443651619 868244710 /nfs/dbraw/zinc/24/47/10/868244710.db2.gz FGMWOCFTJAVVJL-QUCCMNQESA-N 1 0 410.489 4.315 20 30 HIEDRO N#Cc1ccc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)cc1C(F)(F)F ZINC000443892539 868429580 /nfs/dbraw/zinc/42/95/80/868429580.db2.gz XBKIPMYSOVABFE-UHFFFAOYSA-N 1 0 405.445 4.378 20 30 HIEDRO C[C@H](C#N)CSc1ccccc1NC(=O)C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000444215024 868669957 /nfs/dbraw/zinc/66/99/57/868669957.db2.gz SAWDIDAYPCAGEE-MJGOQNOKSA-N 1 0 401.576 4.300 20 30 HIEDRO COc1ccccc1C[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000444233974 868683170 /nfs/dbraw/zinc/68/31/70/868683170.db2.gz CBBWBAJAENXUMA-MSOLQXFVSA-N 1 0 411.571 4.448 20 30 HIEDRO Cc1ccc([C@H]2CCC[C@H]2[N@H+](C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000444248074 868694773 /nfs/dbraw/zinc/69/47/73/868694773.db2.gz VWEVALJHIUZIOS-DHIUTWEWSA-N 1 0 413.525 4.259 20 30 HIEDRO CC[NH+]1CCN(c2cccc(NC(=O)c3cn(CCCC#N)c4ccccc34)c2)CC1 ZINC000444361682 868786849 /nfs/dbraw/zinc/78/68/49/868786849.db2.gz FCRSEQQUBTZZFE-UHFFFAOYSA-N 1 0 415.541 4.339 20 30 HIEDRO C[C@H]1CCC[C@H](OCc2cccc(NC(=O)N(CCC#N)CCC[NH+](C)C)c2)C1 ZINC000444381333 868801879 /nfs/dbraw/zinc/80/18/79/868801879.db2.gz HRTBCUIXQVYARS-UGKGYDQZSA-N 1 0 400.567 4.481 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000444395545 868808197 /nfs/dbraw/zinc/80/81/97/868808197.db2.gz KOORMPPCCGFAGA-UHFFFAOYSA-N 1 0 411.462 4.086 20 30 HIEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000444500542 868860205 /nfs/dbraw/zinc/86/02/05/868860205.db2.gz YGDBGGHWCMMJEL-UHFFFAOYSA-N 1 0 421.261 4.167 20 30 HIEDRO C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1cccc(OCc2ccccc2)c1 ZINC000444714599 868971243 /nfs/dbraw/zinc/97/12/43/868971243.db2.gz AOHWRQGAPJLWGF-LJQANCHMSA-N 1 0 420.534 4.262 20 30 HIEDRO Cc1c(C)n(-c2cccc(F)c2)c(NC(=O)C[NH2+][C@@H](C)c2cccc(O)c2)c1C#N ZINC000444747382 868985519 /nfs/dbraw/zinc/98/55/19/868985519.db2.gz JSQCXDBNXNBJSD-HNNXBMFYSA-N 1 0 406.461 4.100 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N(C)C[C@H](C)Oc2ccc(Cl)c(Cl)c2)CC1 ZINC000468327762 882259789 /nfs/dbraw/zinc/25/97/89/882259789.db2.gz SGFVNMPAOPMVSY-AWEZNQCLSA-N 1 0 400.350 4.053 20 30 HIEDRO N#Cc1ccc(Oc2cccc(C(=O)N3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)c2)cc1 ZINC000448196689 872082651 /nfs/dbraw/zinc/08/26/51/872082651.db2.gz AIKDTYVKYLNSRX-RDPSFJRHSA-N 1 0 401.510 4.439 20 30 HIEDRO N#Cc1ccccc1COc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000448451760 872398917 /nfs/dbraw/zinc/39/89/17/872398917.db2.gz ZOEMJCKGUMBNJS-PXDATVDWSA-N 1 0 415.537 4.226 20 30 HIEDRO C=C(C)Cn1c(COc2ccccc2CC)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460366859 873001727 /nfs/dbraw/zinc/00/17/27/873001727.db2.gz BEIAGFIHIXFANF-JOCHJYFZSA-N 1 0 423.605 4.450 20 30 HIEDRO C=C(C)Cn1c(-c2cccnc2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460370907 873005353 /nfs/dbraw/zinc/00/53/53/873005353.db2.gz SBGQRSPTQZEAAV-NFBKMPQASA-N 1 0 416.573 4.406 20 30 HIEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000460380209 873021097 /nfs/dbraw/zinc/02/10/97/873021097.db2.gz MDWFNCILHIJNAU-XMSQKQJNSA-N 1 0 406.578 4.093 20 30 HIEDRO C=C(C)Cn1c(COCc2ccccc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000460571058 873304208 /nfs/dbraw/zinc/30/42/08/873304208.db2.gz GVRFUQMEERCPLM-JOCHJYFZSA-N 1 0 409.578 4.026 20 30 HIEDRO CC(C)Cn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460626396 873368353 /nfs/dbraw/zinc/36/83/53/873368353.db2.gz NICUBHBKWPJXIP-UHFFFAOYSA-N 1 0 408.594 4.107 20 30 HIEDRO C=C(C)Cn1c(-c2ccccc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000460923055 873827017 /nfs/dbraw/zinc/82/70/17/873827017.db2.gz CARZZHMMJNKLJL-UHFFFAOYSA-N 1 0 412.541 4.105 20 30 HIEDRO C=C(C)Cn1c(COc2ccccc2F)nnc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000460947880 873845817 /nfs/dbraw/zinc/84/58/17/873845817.db2.gz HMCQJEDXBQEDRN-UHFFFAOYSA-N 1 0 413.541 4.027 20 30 HIEDRO C=C(C)Cn1c([C@@H]2CCCO2)nnc1N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460961157 873857112 /nfs/dbraw/zinc/85/71/12/873857112.db2.gz UYBQRUUCMKHWKS-NNWRFLSQSA-N 1 0 409.578 4.195 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000462123087 875226645 /nfs/dbraw/zinc/22/66/45/875226645.db2.gz VHUGVDLTKVLMKY-AWEZNQCLSA-N 1 0 400.336 4.015 20 30 HIEDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@H](C)c1cccc(C#N)c1 ZINC000462237497 875350388 /nfs/dbraw/zinc/35/03/88/875350388.db2.gz LODOMZQGYXRXRR-AUSIDOKSSA-N 1 0 413.525 4.252 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)cc1 ZINC000462744723 875814035 /nfs/dbraw/zinc/81/40/35/875814035.db2.gz ZWABWSLKHMKUFX-HXUWFJFHSA-N 1 0 402.441 4.138 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCc2ccc(C#N)cc21)c1ccc(Br)cc1OCCCO ZINC000462937438 875962050 /nfs/dbraw/zinc/96/20/50/875962050.db2.gz CARHVBKQHJGEHY-VBKZILBWSA-N 1 0 415.331 4.420 20 30 HIEDRO Cc1cc(C[NH2+][C@H](C)c2ccc(Br)cc2OCCCO)ccc1C#N ZINC000463029534 876048476 /nfs/dbraw/zinc/04/84/76/876048476.db2.gz FBFKBCXGNMBUFN-OAHLLOKOSA-N 1 0 403.320 4.241 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(c3noc(C4CC4)n3)CC2)c(-c2ccccc2)n1 ZINC000463055277 876082912 /nfs/dbraw/zinc/08/29/12/876082912.db2.gz NWVCXHGBTUDUIX-UHFFFAOYSA-N 1 0 402.502 4.104 20 30 HIEDRO C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1ccc(Br)s1 ZINC000463121007 876163242 /nfs/dbraw/zinc/16/32/42/876163242.db2.gz UWCFESHTYSORIV-AWEZNQCLSA-N 1 0 420.376 4.076 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)ccc1Cl ZINC000463210637 876269699 /nfs/dbraw/zinc/26/96/99/876269699.db2.gz OIKSLFBBGSDDDH-CEMLEFRQSA-N 1 0 417.981 4.301 20 30 HIEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1)C(C)C ZINC000503390185 912372625 /nfs/dbraw/zinc/37/26/25/912372625.db2.gz JLCMQIVPVTUQIC-QFIPXVFZSA-N 1 0 409.578 4.151 20 30 HIEDRO CC1CC[NH+]([C@@H](CNC(=O)NCc2cc(C#N)ccc2F)c2cccs2)CC1 ZINC000465429468 878859953 /nfs/dbraw/zinc/85/99/53/878859953.db2.gz XAOLSPIQMUFCSO-IBGZPJMESA-N 1 0 400.523 4.031 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000465443614 878874909 /nfs/dbraw/zinc/87/49/09/878874909.db2.gz PBDRVFYJEBZHGT-TZRRMPRUSA-N 1 0 402.542 4.305 20 30 HIEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000465445583 878876364 /nfs/dbraw/zinc/87/63/64/878876364.db2.gz XOZINBCBGKCNDV-RPWUZVMVSA-N 1 0 402.542 4.132 20 30 HIEDRO Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)CC1 ZINC000465553221 879018744 /nfs/dbraw/zinc/01/87/44/879018744.db2.gz QNBRSDRTPHHMJF-JWQCQUIFSA-N 1 0 416.569 4.441 20 30 HIEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000465645573 879164806 /nfs/dbraw/zinc/16/48/06/879164806.db2.gz IQWFDMNPJLDMTN-BJKOFHAPSA-N 1 0 420.532 4.271 20 30 HIEDRO C=C(C)C[NH+]1CCC(NC(=O)NCc2ccnc(Oc3cccc(C)c3C)c2)CC1 ZINC000465859878 879507619 /nfs/dbraw/zinc/50/76/19/879507619.db2.gz MUDXQTBJOIKUDT-UHFFFAOYSA-N 1 0 408.546 4.330 20 30 HIEDRO CC[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)C(C)(C)c1ccccc1 ZINC000465973319 879640888 /nfs/dbraw/zinc/64/08/88/879640888.db2.gz PRZWRVKSRZOWQT-QHCPKHFHSA-N 1 0 406.574 4.388 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]Cc2cc(Cl)ccc2N2CCOCC2)ccc1OC ZINC000466362537 880120629 /nfs/dbraw/zinc/12/06/29/880120629.db2.gz ODSJSGGPLWFQDK-UHFFFAOYSA-N 1 0 416.949 4.430 20 30 HIEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)Nc1ncccc1OCCCC#N ZINC000466602901 880371741 /nfs/dbraw/zinc/37/17/41/880371741.db2.gz YYUFUMTUOGJRMH-IBGZPJMESA-N 1 0 421.545 4.460 20 30 HIEDRO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ncccc2OCCCC#N)[C@@H]1c1cccs1 ZINC000466611039 880381753 /nfs/dbraw/zinc/38/17/53/880381753.db2.gz RTPSTYNAZQBBLG-QFBILLFUSA-N 1 0 413.547 4.030 20 30 HIEDRO C[C@H]1C[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C[N@@H+]1Cc1ccccc1 ZINC000467029957 880829570 /nfs/dbraw/zinc/82/95/70/880829570.db2.gz XRSGUZIHHOAVSY-RXVVDRJESA-N 1 0 415.493 4.123 20 30 HIEDRO C[NH+](C)CCc1ccc(CNC(=O)c2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000467043485 880838939 /nfs/dbraw/zinc/83/89/39/880838939.db2.gz DFQDOXXFIFDSDM-UHFFFAOYSA-N 1 0 413.521 4.171 20 30 HIEDRO CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(CCC(=O)Nc1sc3c(c1C#N)CC[C@H](C)C3)CC2 ZINC000467209580 880939215 /nfs/dbraw/zinc/93/92/15/880939215.db2.gz XPLQJVGCSLKPSH-KSZLIROESA-N 1 0 414.619 4.020 20 30 HIEDRO COCC[C@H]1CCCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 ZINC000467273811 881017099 /nfs/dbraw/zinc/01/70/99/881017099.db2.gz SSZSIKHALNCPAD-QGZVFWFLSA-N 1 0 403.592 4.356 20 30 HIEDRO COCC[C@@H]1CCCC[N@H+](CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 ZINC000467281603 881028932 /nfs/dbraw/zinc/02/89/32/881028932.db2.gz WNDHMOJRZUOQHK-IRXDYDNUSA-N 1 0 403.592 4.212 20 30 HIEDRO N#Cc1cccc(-c2cc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)on2)c1 ZINC000469156006 883253811 /nfs/dbraw/zinc/25/38/11/883253811.db2.gz UVQREBMPIOLKQA-FRIKZZABSA-N 1 0 412.493 4.139 20 30 HIEDRO N#CCCCn1cc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC000469425437 883604279 /nfs/dbraw/zinc/60/42/79/883604279.db2.gz AWHMFFOURBBLBZ-OAQYLSRUSA-N 1 0 400.526 4.339 20 30 HIEDRO COc1cc(Br)ccc1[C@@H](C)[NH2+]CCC(=O)Nc1sccc1C#N ZINC000469739707 883896667 /nfs/dbraw/zinc/89/66/67/883896667.db2.gz OGJIIDIPBZLOGO-LLVKDONJSA-N 1 0 408.321 4.070 20 30 HIEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 ZINC000470216643 884543403 /nfs/dbraw/zinc/54/34/03/884543403.db2.gz UOZYSSGXRSUVPJ-SFHVURJKSA-N 1 0 407.489 4.294 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000503984917 912896765 /nfs/dbraw/zinc/89/67/65/912896765.db2.gz GKGPZTOCOVBUIP-FQEVSTJZSA-N 1 0 412.534 4.008 20 30 HIEDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)ccc21 ZINC000470904597 885409124 /nfs/dbraw/zinc/40/91/24/885409124.db2.gz YETCQXZRXNDEFJ-QFIPXVFZSA-N 1 0 413.525 4.176 20 30 HIEDRO Cn1cc(C[N@@H+]2CCC[C@H](OCc3ccccc3F)C2)c(-c2ccc(C#N)cc2)n1 ZINC000470926401 885432368 /nfs/dbraw/zinc/43/23/68/885432368.db2.gz PZQRXLPGCJVJJO-QFIPXVFZSA-N 1 0 404.489 4.279 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[N@@H+]1CC[C@@H](c2ccc(C)cc2C)C1 ZINC000471021801 885527384 /nfs/dbraw/zinc/52/73/84/885527384.db2.gz ZEQXAKVZJQHIAO-OAQYLSRUSA-N 1 0 422.573 4.058 20 30 HIEDRO CC1CC[NH+](CCc2cccc(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)c2)CC1 ZINC000471085839 885613599 /nfs/dbraw/zinc/61/35/99/885613599.db2.gz JZVLANMNUPLTDC-QHCPKHFHSA-N 1 0 400.526 4.154 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCC(Oc3ccccn3)CC1)CCCCC2 ZINC000471157157 885709802 /nfs/dbraw/zinc/70/98/02/885709802.db2.gz OJZLWTNLKPEYHQ-UHFFFAOYSA-N 1 0 424.570 4.156 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2)c1C ZINC000471164358 885719527 /nfs/dbraw/zinc/71/95/27/885719527.db2.gz FMXNMGIKOQFMFM-QHCPKHFHSA-N 1 0 404.558 4.151 20 30 HIEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(C#N)cn1C ZINC000471597011 886311053 /nfs/dbraw/zinc/31/10/53/886311053.db2.gz ZWOWICKLDRZLHV-UHFFFAOYSA-N 1 0 407.345 4.188 20 30 HIEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H](CO)c2ccsc2)cc1OCC ZINC000472038912 886858340 /nfs/dbraw/zinc/85/83/40/886858340.db2.gz SSCXFDPTRUPKSQ-INIZCTEOSA-N 1 0 412.349 4.297 20 30 HIEDRO C[C@H]([NH2+]C1(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CCCC1)c1ccccc1 ZINC000472160426 886958569 /nfs/dbraw/zinc/95/85/69/886958569.db2.gz RFCHWGQBXSUXGJ-CVDCTZTESA-N 1 0 400.526 4.020 20 30 HIEDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000472240385 887048709 /nfs/dbraw/zinc/04/87/09/887048709.db2.gz JVMNRFHCXNUOFX-NRFANRHFSA-N 1 0 414.553 4.334 20 30 HIEDRO CN(CC(=O)c1cn(CCC#N)c2ccccc12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000472248205 887058214 /nfs/dbraw/zinc/05/82/14/887058214.db2.gz BBVVGOORYFPLCX-UHFFFAOYSA-N 1 0 414.553 4.334 20 30 HIEDRO Cc1cc([C@H]2CCC[N@@H+]2CCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)on1 ZINC000472438366 887286713 /nfs/dbraw/zinc/28/67/13/887286713.db2.gz GTULCZMZSLKTKW-HXUWFJFHSA-N 1 0 421.501 4.080 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000472469515 887329732 /nfs/dbraw/zinc/32/97/32/887329732.db2.gz WTWYENVRIFRLOH-UHFFFAOYSA-N 1 0 420.479 4.061 20 30 HIEDRO CC[NH+](CC)CCO[C@H]1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)C1 ZINC000472751948 887596973 /nfs/dbraw/zinc/59/69/73/887596973.db2.gz NAVLPRLUTIPEKU-QHCPKHFHSA-N 1 0 422.529 4.315 20 30 HIEDRO N#CC(CC[N@H+]1CCCN(CC(F)(F)F)CC1)(c1ccccc1)c1ccccc1 ZINC000472753231 887599186 /nfs/dbraw/zinc/59/91/86/887599186.db2.gz PZDAUKOLPAHKAU-UHFFFAOYSA-N 1 0 401.476 4.456 20 30 HIEDRO O=C(Nc1ccccc1C#Cc1ccccc1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000472858070 887713509 /nfs/dbraw/zinc/71/35/09/887713509.db2.gz ZTPHYXQLHUPWNW-UHFFFAOYSA-N 1 0 410.521 4.268 20 30 HIEDRO C[C@H](CCNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000473009205 887839115 /nfs/dbraw/zinc/83/91/15/887839115.db2.gz GEYMKBSSWIAFIV-FGCOXFRFSA-N 1 0 404.558 4.378 20 30 HIEDRO COc1ccccc1[C@H](CC(C)C)NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000473012781 887840542 /nfs/dbraw/zinc/84/05/42/887840542.db2.gz YTLJFJVXGCSLMI-QHCPKHFHSA-N 1 0 422.573 4.427 20 30 HIEDRO Cc1ccc(C(F)(F)F)cc1NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000473062175 887883417 /nfs/dbraw/zinc/88/34/17/887883417.db2.gz XBOOVFJGPMUIIL-UHFFFAOYSA-N 1 0 404.436 4.481 20 30 HIEDRO Cn1c2ccccc2nc1C(C)(C)[NH2+]CCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000473168645 887945964 /nfs/dbraw/zinc/94/59/64/887945964.db2.gz MIWHHLFONSIVCA-UHFFFAOYSA-N 1 0 421.570 4.239 20 30 HIEDRO C=CCOc1ccc(C(=O)NC2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)cc1OC ZINC000473281735 888036455 /nfs/dbraw/zinc/03/64/55/888036455.db2.gz QEXABZFHIHQFFT-OALUTQOASA-N 1 0 408.542 4.146 20 30 HIEDRO CC(C)C[C@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)[NH2+][C@H](C)c1ccccc1 ZINC000473701623 888476640 /nfs/dbraw/zinc/47/66/40/888476640.db2.gz SCPSCCMPSVPDKS-CTUHWIOQSA-N 1 0 402.542 4.122 20 30 HIEDRO CC(C)N1CC[C@H](NC(=O)C2(c3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000474161205 888997950 /nfs/dbraw/zinc/99/79/50/888997950.db2.gz XCNRMJSIKOAWSS-VXKWHMMOSA-N 1 0 409.480 4.208 20 30 HIEDRO COc1ccc([C@H](CNC(=O)C[C@H](CC#N)c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000474197520 889036196 /nfs/dbraw/zinc/03/61/96/889036196.db2.gz LSBDFEKMCKXCHX-UPVQGACJSA-N 1 0 405.542 4.426 20 30 HIEDRO COc1ccc([C@@H]2CC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCCC4)C2)cc1 ZINC000504547014 913324159 /nfs/dbraw/zinc/32/41/59/913324159.db2.gz LQZFZYFNFAAYQK-QGZVFWFLSA-N 1 0 409.555 4.325 20 30 HIEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000504623254 913375717 /nfs/dbraw/zinc/37/57/17/913375717.db2.gz XIUQXDRCGVMDDW-UHFFFAOYSA-N 1 0 405.311 4.478 20 30 HIEDRO CCN(C(=O)Nc1cc(C#N)ccc1OC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475018655 889871564 /nfs/dbraw/zinc/87/15/64/889871564.db2.gz RQXNYBNMWAUTAA-GOSISDBHSA-N 1 0 414.456 4.288 20 30 HIEDRO C=C(C)COc1cc(C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2nccs2)ccc1OC ZINC000475085713 889932341 /nfs/dbraw/zinc/93/23/41/889932341.db2.gz FWKILKDAVGIDOA-OALUTQOASA-N 1 0 419.566 4.151 20 30 HIEDRO CN(C(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475315164 890229117 /nfs/dbraw/zinc/22/91/17/890229117.db2.gz IZXZHUYMRVSATA-NRFANRHFSA-N 1 0 415.493 4.077 20 30 HIEDRO N#Cc1ccc(OC2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC2)cc1 ZINC000504703652 913439293 /nfs/dbraw/zinc/43/92/93/913439293.db2.gz OQLDWLOQFWBHFG-UHFFFAOYSA-N 1 0 403.526 4.228 20 30 HIEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)c2ccc(C(C)(C)C#N)cc2)CC1 ZINC000475466432 890376035 /nfs/dbraw/zinc/37/60/35/890376035.db2.gz YXOCQEYCEIPWRS-SFHVURJKSA-N 1 0 422.548 4.260 20 30 HIEDRO C=CCc1cccc(C(C)C)c1NC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000475579704 890510461 /nfs/dbraw/zinc/51/04/61/890510461.db2.gz CCUBEAYUCPBACO-YADHBBJMSA-N 1 0 407.558 4.295 20 30 HIEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](Cc1ccccn1)c1ccc(Br)cc1 ZINC000475747814 890692620 /nfs/dbraw/zinc/69/26/20/890692620.db2.gz LTJWMWQNBNYFCD-FQEVSTJZSA-N 1 0 416.363 4.142 20 30 HIEDRO CC(C)n1cc2cc(NC(=O)N(CC[NH+](C)C)Cc3ccc(C#N)cc3)ccc2n1 ZINC000475811681 890746208 /nfs/dbraw/zinc/74/62/08/890746208.db2.gz LPGIGPMPBHRTCK-UHFFFAOYSA-N 1 0 404.518 4.085 20 30 HIEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(-n2ccnc2)cc1C ZINC000475975891 890892899 /nfs/dbraw/zinc/89/28/99/890892899.db2.gz KVDRSMDJOINWRJ-UHFFFAOYSA-N 1 0 422.602 4.279 20 30 HIEDRO COc1cccc([C@H]2[C@@H](NC(=O)c3ccc(C(C)(C)C#N)cc3)CC[N@@H+]2C2CC2)c1 ZINC000476599377 891534473 /nfs/dbraw/zinc/53/44/73/891534473.db2.gz QHJSMTMCPFIKFA-GOTSBHOMSA-N 1 0 403.526 4.204 20 30 HIEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)[C@H](C)C1 ZINC000476832667 891813109 /nfs/dbraw/zinc/81/31/09/891813109.db2.gz RZANLMZCQFPJLJ-VGSWGCGISA-N 1 0 424.520 4.470 20 30 HIEDRO N#Cc1c(NC(=O)CC[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)sc2c1CCC2 ZINC000477434150 892386161 /nfs/dbraw/zinc/38/61/61/892386161.db2.gz CNLKRWKINCPPOW-QGZVFWFLSA-N 1 0 409.511 4.003 20 30 HIEDRO C=C(C)[C@H](NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccc(F)c(F)c1 ZINC000477721991 892826356 /nfs/dbraw/zinc/82/63/56/892826356.db2.gz KBKQSAZGYKLAJI-YVHKJVDXSA-N 1 0 421.532 4.113 20 30 HIEDRO CC[N@H+](C)Cc1cccc(CNC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000477928054 893016119 /nfs/dbraw/zinc/01/61/19/893016119.db2.gz MREGTENJZBOWJZ-UHFFFAOYSA-N 1 0 403.448 4.008 20 30 HIEDRO CCN(CCS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000478052847 893202236 /nfs/dbraw/zinc/20/22/36/893202236.db2.gz IBQLWFUDFYQVTM-HNNXBMFYSA-N 1 0 410.461 4.434 20 30 HIEDRO COc1cccc([C@@H]2[C@@H]([NH2+]Cc3cccc(OCCCC#N)c3)CCN2C2CC2)c1 ZINC000478177867 893342330 /nfs/dbraw/zinc/34/23/30/893342330.db2.gz MUFIRLANVVXXSW-LOSJGSFVSA-N 1 0 405.542 4.445 20 30 HIEDRO COc1ccc(Br)cc1C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000478356020 893607577 /nfs/dbraw/zinc/60/75/77/893607577.db2.gz ZJFBMTKYBSLQCS-UHFFFAOYSA-N 1 0 411.303 4.020 20 30 HIEDRO C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)c1c(F)cccc1Cl ZINC000478363979 893621802 /nfs/dbraw/zinc/62/18/02/893621802.db2.gz BCVMWGNLZQTSIZ-HNNXBMFYSA-N 1 0 402.901 4.185 20 30 HIEDRO N#CC1(NC(=O)c2cc(C3CC3)nc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000479210998 894474170 /nfs/dbraw/zinc/47/41/70/894474170.db2.gz DQSUATJTMVQQLG-UHFFFAOYSA-N 1 0 410.521 4.400 20 30 HIEDRO N#CC1(NC(=O)CCCOc2ccccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000479236801 894499053 /nfs/dbraw/zinc/49/90/53/894499053.db2.gz BWDGVRJRFHJCNT-UHFFFAOYSA-N 1 0 411.933 4.174 20 30 HIEDRO CC[C@@H](C)c1ccccc1OCC(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000479243557 894506340 /nfs/dbraw/zinc/50/63/40/894506340.db2.gz LYVYPEGOAMCAKM-HXUWFJFHSA-N 1 0 405.542 4.253 20 30 HIEDRO CC(C)CCOc1ccc(C(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479242658 894506889 /nfs/dbraw/zinc/50/68/89/894506889.db2.gz LBHAHIIQGAZORJ-UHFFFAOYSA-N 1 0 405.542 4.400 20 30 HIEDRO CC(C)(C)c1ccc(OCC(=O)NC2(C#N)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000479253876 894518785 /nfs/dbraw/zinc/51/87/85/894518785.db2.gz VUJRJXJPBWZFTG-UHFFFAOYSA-N 1 0 405.542 4.037 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000479280016 894557120 /nfs/dbraw/zinc/55/71/20/894557120.db2.gz JBHCKLBCQXMRMX-XMMPIXPASA-N 1 0 423.605 4.389 20 30 HIEDRO N#CC1(NC(=O)c2cccc(-c3cscn3)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000479305633 894592150 /nfs/dbraw/zinc/59/21/50/894592150.db2.gz HXTMSAIRJREHFO-UHFFFAOYSA-N 1 0 402.523 4.098 20 30 HIEDRO Cn1cc(C[NH2+]CCCC(=O)Nc2ccc(Cl)cc2)c(-c2ccc(C#N)cc2)n1 ZINC000479922519 895270089 /nfs/dbraw/zinc/27/00/89/895270089.db2.gz WOCOVSCSSLFUFA-UHFFFAOYSA-N 1 0 407.905 4.121 20 30 HIEDRO CCN(CC)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)Cc1ccccc1 ZINC000479952987 895306653 /nfs/dbraw/zinc/30/66/53/895306653.db2.gz CDQXOSQTJIDFKM-DEOSSOPVSA-N 1 0 401.558 4.001 20 30 HIEDRO Cc1ccc2c(ncc(C#N)c2N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1Br ZINC000480064637 895412949 /nfs/dbraw/zinc/41/29/49/895412949.db2.gz BAUVFQHLKRRQGI-MRXNPFEDSA-N 1 0 413.363 4.346 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+]Cc3cccnc3OCC(F)F)c2)c1 ZINC000480126999 895503131 /nfs/dbraw/zinc/50/31/31/895503131.db2.gz UMKVTGFJRSXIEA-UHFFFAOYSA-N 1 0 409.436 4.466 20 30 HIEDRO COc1cccc([C@@H](CNC(=O)c2ccccc2Oc2ccccc2C#N)[NH+](C)C)c1 ZINC000480393759 895799582 /nfs/dbraw/zinc/79/95/82/895799582.db2.gz JHRLBIXYAURROK-JOCHJYFZSA-N 1 0 415.493 4.392 20 30 HIEDRO C[NH+](C)CCOc1ccc(CNC(=O)c2ccccc2Oc2ccccc2C#N)cc1 ZINC000480597437 895959388 /nfs/dbraw/zinc/95/93/88/895959388.db2.gz JHAVIUAPNREGDD-UHFFFAOYSA-N 1 0 415.493 4.221 20 30 HIEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCc2ccc(Cl)cc2C#N)CC1 ZINC000480877479 896235851 /nfs/dbraw/zinc/23/58/51/896235851.db2.gz WFDDTWBPEZJMNQ-MRXNPFEDSA-N 1 0 400.929 4.343 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000481183395 896527943 /nfs/dbraw/zinc/52/79/43/896527943.db2.gz RUFXQZWZXVREOV-SXWKCWPCSA-N 1 0 411.615 4.151 20 30 HIEDRO C=CCn1c(SCCC[NH+]2CCN(c3ccccc3)CC2)nnc1-c1ccoc1C ZINC000505428918 914093421 /nfs/dbraw/zinc/09/34/21/914093421.db2.gz UWLNZGHKNORDTA-UHFFFAOYSA-N 1 0 423.586 4.337 20 30 HIEDRO Cc1cc(NC(=O)c2ccc(C3(C#N)CC3)cc2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000481660670 897045337 /nfs/dbraw/zinc/04/53/37/897045337.db2.gz SHIYETZDGOKRDL-UHFFFAOYSA-N 1 0 402.542 4.333 20 30 HIEDRO N#Cc1ccc2c(c1)CCCC[C@H]2[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000481680532 897064301 /nfs/dbraw/zinc/06/43/01/897064301.db2.gz ZLFCWOLUJHDAST-XMMPIXPASA-N 1 0 423.582 4.041 20 30 HIEDRO C=CCOc1ccccc1C[NH2+][C@H](CC)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481918161 897302996 /nfs/dbraw/zinc/30/29/96/897302996.db2.gz CCTNNDSBVVCGSP-GOSISDBHSA-N 1 0 408.951 4.054 20 30 HIEDRO COc1cccc([C@H]2[C@H](NC(=O)Nc3cc(C#N)cn3C(C)(C)C)CC[N@@H+]2C2CC2)c1 ZINC000481926848 897311059 /nfs/dbraw/zinc/31/10/59/897311059.db2.gz WDDCDWVICGXGNK-IRLDBZIGSA-N 1 0 421.545 4.223 20 30 HIEDRO C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000482098621 897543931 /nfs/dbraw/zinc/54/39/31/897543931.db2.gz LJFHOPJBUDURLE-DENIHFKCSA-N 1 0 405.542 4.227 20 30 HIEDRO C=CCN1CCC([NH2+][C@@H](C)c2sc(Cc3ccc(OC)c(OC)c3)nc2C)CC1 ZINC000482616011 898218772 /nfs/dbraw/zinc/21/87/72/898218772.db2.gz DXSURMJEWNRYAS-INIZCTEOSA-N 1 0 415.603 4.361 20 30 HIEDRO N#CC1(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC[NH+](Cc2ccccc2)CC1 ZINC000482706927 898306843 /nfs/dbraw/zinc/30/68/43/898306843.db2.gz KKMYJHKUHRDEFC-UHFFFAOYSA-N 1 0 412.537 4.335 20 30 HIEDRO Cn1c2ccccc2c(Cl)c1C(=O)NC1(C#N)CC[NH+](Cc2ccccc2)CC1 ZINC000482710477 898309469 /nfs/dbraw/zinc/30/94/69/898309469.db2.gz QAOGAUQMQGSAJO-UHFFFAOYSA-N 1 0 406.917 4.120 20 30 HIEDRO COc1cc([C@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3F)C2)cc(OC)c1OC ZINC000482876425 898490859 /nfs/dbraw/zinc/49/08/59/898490859.db2.gz OMEYYSBBFVIYBK-YJBOKZPZSA-N 1 0 413.493 4.043 20 30 HIEDRO CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000482930753 898553348 /nfs/dbraw/zinc/55/33/48/898553348.db2.gz UYAIUXJXLIGFRH-JTHBVZDNSA-N 1 0 418.541 4.475 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000483332970 898962406 /nfs/dbraw/zinc/96/24/06/898962406.db2.gz CRSZOUFOOBXJDX-WIYYLYMNSA-N 1 0 420.513 4.307 20 30 HIEDRO CC[N@H+](CC(=O)NCc1ccc(C#N)cc1)[C@@H](C)Cc1ccccc1C(F)(F)F ZINC000483424784 899054440 /nfs/dbraw/zinc/05/44/40/899054440.db2.gz GAZAUHREBPJFKV-INIZCTEOSA-N 1 0 403.448 4.146 20 30 HIEDRO N#Cc1cccc(-c2nnc(CN3CC[C@H]4[C@H](CCC[N@@H+]4Cc4ccccc4)C3)o2)c1 ZINC000483476650 899122407 /nfs/dbraw/zinc/12/24/07/899122407.db2.gz ALDFLKGPGRICJW-PKTZIBPZSA-N 1 0 413.525 4.095 20 30 HIEDRO CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483593897 899244745 /nfs/dbraw/zinc/24/47/45/899244745.db2.gz DAKPQOFJEPPZJF-ISKFKSNPSA-N 1 0 417.553 4.229 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000483620105 899271328 /nfs/dbraw/zinc/27/13/28/899271328.db2.gz ILAWTTZMWOQQAH-INIZCTEOSA-N 1 0 400.523 4.331 20 30 HIEDRO CC(C)N(Cc1ccc(C#N)cc1)C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000483677744 899337596 /nfs/dbraw/zinc/33/75/96/899337596.db2.gz FYRVQEADBAYZQZ-XMMPIXPASA-N 1 0 404.558 4.389 20 30 HIEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000483791601 899462627 /nfs/dbraw/zinc/46/26/27/899462627.db2.gz YWSQBUQXTBGVNU-UHFFFAOYSA-N 1 0 417.619 4.145 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000484049770 899681645 /nfs/dbraw/zinc/68/16/45/899681645.db2.gz SXMQXEWOIWILMF-OALUTQOASA-N 1 0 410.484 4.000 20 30 HIEDRO CCCOc1ccc(O[C@@H]2CCCC[C@@H]2[NH2+]CC(=O)Nc2sccc2C#N)cc1 ZINC000484635600 900084548 /nfs/dbraw/zinc/08/45/48/900084548.db2.gz IULSEQZYOQZCPM-VQTJNVASSA-N 1 0 413.543 4.327 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000484696275 900132655 /nfs/dbraw/zinc/13/26/55/900132655.db2.gz YCTAPAQREAKRPW-PMACEKPBSA-N 1 0 403.615 4.308 20 30 HIEDRO N#Cc1ccc(Oc2cccc(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)c2)cc1 ZINC000484710690 900144768 /nfs/dbraw/zinc/14/47/68/900144768.db2.gz UTHBIEPDKQXNBG-UHFFFAOYSA-N 1 0 412.493 4.140 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000484719470 900150520 /nfs/dbraw/zinc/15/05/20/900150520.db2.gz NKKWSNUJWMLORB-NFBKMPQASA-N 1 0 409.578 4.387 20 30 HIEDRO COc1cccc([C@@H](CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)[NH+](C)C)c1 ZINC000484932433 900304512 /nfs/dbraw/zinc/30/45/12/900304512.db2.gz GYORNHOWWXMEKC-XMMPIXPASA-N 1 0 415.493 4.392 20 30 HIEDRO C[C@H](NC(=O)NCCSCc1ccccc1C#N)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485144987 900445927 /nfs/dbraw/zinc/44/59/27/900445927.db2.gz JSHIYOXCEGKLOA-SIKLNZKXSA-N 1 0 422.598 4.001 20 30 HIEDRO COc1cc([C@@H](C)[NH2+][C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1OC(F)F ZINC000485244529 900529847 /nfs/dbraw/zinc/52/98/47/900529847.db2.gz KFYRXTULTJYIOE-KDOFPFPSSA-N 1 0 415.440 4.014 20 30 HIEDRO C[C@@H]([NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(OCC(F)(F)F)cc1 ZINC000485330725 900615430 /nfs/dbraw/zinc/61/54/30/900615430.db2.gz LKTFUJGHSGNYGI-FOIQADDNSA-N 1 0 417.431 4.346 20 30 HIEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C1 ZINC000485421494 900720249 /nfs/dbraw/zinc/72/02/49/900720249.db2.gz OYDCPXFTKSZOAF-NRFANRHFSA-N 1 0 406.530 4.137 20 30 HIEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000485524121 900806361 /nfs/dbraw/zinc/80/63/61/900806361.db2.gz WFJCKDSLZMZGML-YLJYHZDGSA-N 1 0 420.561 4.132 20 30 HIEDRO N#Cc1ccc(N2CC[NH+](CCSc3ccnc4cc(Cl)ccc43)CC2)nc1 ZINC000485799156 901050779 /nfs/dbraw/zinc/05/07/79/901050779.db2.gz HQQZYCDQZCAQPP-UHFFFAOYSA-N 1 0 409.946 4.069 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccc2ncsc2c1 ZINC000485830889 901078288 /nfs/dbraw/zinc/07/82/88/901078288.db2.gz GECOYJPGKYIHPR-CQSZACIVSA-N 1 0 417.456 4.134 20 30 HIEDRO Cc1cc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)n2c3ccccc3nc2c1C#N ZINC000486005457 901219301 /nfs/dbraw/zinc/21/93/01/901219301.db2.gz KZKPPVJODGIAJW-CYFREDJKSA-N 1 0 410.525 4.192 20 30 HIEDRO Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2nc3c(cc2C#N)CCCC3(C)C)C1 ZINC000486032185 901236573 /nfs/dbraw/zinc/23/65/73/901236573.db2.gz XDDRMOCYXAEUFF-QGZVFWFLSA-N 1 0 409.603 4.290 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CC[NH+](C4CCCCC4)CC3)sc2C1 ZINC000486256949 901440791 /nfs/dbraw/zinc/44/07/91/901440791.db2.gz YJUHFBXWNREMNJ-KRWDZBQOSA-N 1 0 414.619 4.023 20 30 HIEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C[N@@H+](C[C@@H]2CCCCO2)C(C)C)cc1 ZINC000486449759 901608198 /nfs/dbraw/zinc/60/81/98/901608198.db2.gz UOIDARLTYJAFSL-YTFSRNRJSA-N 1 0 400.563 4.386 20 30 HIEDRO C[NH+](C)CCOc1ccc(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)cc1 ZINC000486474843 901634405 /nfs/dbraw/zinc/63/44/05/901634405.db2.gz RFMOQGQPSVAANM-UHFFFAOYSA-N 1 0 415.493 4.221 20 30 HIEDRO N#Cc1ccc(C[N@@H+]2CCCN(Cc3cncc(OCc4ccccc4)c3)CC2)cc1 ZINC000486805489 901864727 /nfs/dbraw/zinc/86/47/27/901864727.db2.gz VSAVOLLAQACZDF-UHFFFAOYSA-N 1 0 412.537 4.240 20 30 HIEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(-c4cccc(F)c4)s3)C2=O)cc1 ZINC000486900246 901944329 /nfs/dbraw/zinc/94/43/29/901944329.db2.gz JBIHNBHPLNXECC-OAQYLSRUSA-N 1 0 405.498 4.317 20 30 HIEDRO COc1ccccc1-c1ccc(C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000486907338 901954090 /nfs/dbraw/zinc/95/40/90/901954090.db2.gz WLGQGOOLAYOQAZ-DEOSSOPVSA-N 1 0 411.505 4.125 20 30 HIEDRO N#Cc1ccc(C(=O)N(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC(F)(F)F)s1 ZINC000487782655 902362427 /nfs/dbraw/zinc/36/24/27/902362427.db2.gz KFVFTLBDILKNLV-MRXNPFEDSA-N 1 0 407.461 4.146 20 30 HIEDRO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488466946 902839711 /nfs/dbraw/zinc/83/97/11/902839711.db2.gz MPUJZFZTMUQBHY-XOBRGWDASA-N 1 0 402.325 4.187 20 30 HIEDRO C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+][C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000488466944 902840005 /nfs/dbraw/zinc/84/00/05/902840005.db2.gz MPUJZFZTMUQBHY-VBKZILBWSA-N 1 0 402.325 4.187 20 30 HIEDRO CCOc1cccc2cc([C@@H](C)[NH2+][C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)oc21 ZINC000488469592 902842155 /nfs/dbraw/zinc/84/21/55/902842155.db2.gz ZBEUOGXSSPIPEX-UZLBHIALSA-N 1 0 403.482 4.155 20 30 HIEDRO CCCCOc1ccc([C@H](C)[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1OC ZINC000488487548 902850960 /nfs/dbraw/zinc/85/09/60/902850960.db2.gz OXRQPSDYNVMZMT-AVRDEDQJSA-N 1 0 421.541 4.197 20 30 HIEDRO Cc1ccccc1[C@H](C(C)C)[N@H+](C)CC(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000488807417 903011840 /nfs/dbraw/zinc/01/18/40/903011840.db2.gz QUCLHJCSLJWPKG-QHCPKHFHSA-N 1 0 401.514 4.320 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)CC1 ZINC000488933357 903084626 /nfs/dbraw/zinc/08/46/26/903084626.db2.gz BKXYOMLMTBUXNG-IBGZPJMESA-N 1 0 424.358 4.379 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+][C@H]2CCN(c3ccccc3F)C2=O)c1 ZINC000489072684 903174381 /nfs/dbraw/zinc/17/43/81/903174381.db2.gz CWVOCZLCJTYNMW-QHCPKHFHSA-N 1 0 415.468 4.171 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(n3cc(Cl)cn3)CC2)c1 ZINC000506016481 914694156 /nfs/dbraw/zinc/69/41/56/914694156.db2.gz CQMVABDPVCOWCB-GOSISDBHSA-N 1 0 413.953 4.126 20 30 HIEDRO C=C[C@@H]1CCCC[N@H+]1CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 ZINC000489408292 903371931 /nfs/dbraw/zinc/37/19/31/903371931.db2.gz VXBLVYVGCFPGNE-AUSIDOKSSA-N 1 0 405.542 4.499 20 30 HIEDRO Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cn(C)nc1-c1ccc(C#N)cc1 ZINC000490432137 904006133 /nfs/dbraw/zinc/00/61/33/904006133.db2.gz KOPUCGYSKFQBMJ-QFIPXVFZSA-N 1 0 410.525 4.282 20 30 HIEDRO N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491491979 904622263 /nfs/dbraw/zinc/62/22/63/904622263.db2.gz UCIBNVDCACJTFI-KRWDZBQOSA-N 1 0 406.477 4.280 20 30 HIEDRO Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000492076864 904789893 /nfs/dbraw/zinc/78/98/93/904789893.db2.gz BHLCEMWRDMSYED-NFBKMPQASA-N 1 0 404.514 4.004 20 30 HIEDRO FC(F)(F)Oc1ccc(C#CC[NH+]2CCC(n3ccc(C(F)(F)F)n3)CC2)cc1 ZINC000492544071 904866152 /nfs/dbraw/zinc/86/61/52/904866152.db2.gz ZOADRGLTDQLRRB-UHFFFAOYSA-N 1 0 417.353 4.489 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000493982745 905325483 /nfs/dbraw/zinc/32/54/83/905325483.db2.gz BKTMPUVWROMMKH-NQIIRXRSSA-N 1 0 404.482 4.301 20 30 HIEDRO C[C@@H]1[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000494069308 905405738 /nfs/dbraw/zinc/40/57/38/905405738.db2.gz ODYHUHNDMAIUMH-JPYJTQIMSA-N 1 0 412.493 4.138 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+]2CCCCC[C@H]2C[C@@H](C)O)c1C#N ZINC000512419753 921147894 /nfs/dbraw/zinc/14/78/94/921147894.db2.gz BWZGPUUPBLGEGA-UZLBHIALSA-N 1 0 400.567 4.046 20 30 HIEDRO CC(C)Oc1cc(F)ccc1NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000494384946 905679478 /nfs/dbraw/zinc/67/94/78/905679478.db2.gz LRQGLNJDEJOQEB-UHFFFAOYSA-N 1 0 410.493 4.224 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000494447423 905730633 /nfs/dbraw/zinc/73/06/33/905730633.db2.gz ZJZSLYMXXDWOTB-CWFSZBLJSA-N 1 0 404.963 4.424 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000494471982 905753155 /nfs/dbraw/zinc/75/31/55/905753155.db2.gz GLVXWHQOTDISLN-DUVDMVPYSA-N 1 0 421.944 4.218 20 30 HIEDRO C[C@H]([NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000494489195 905773027 /nfs/dbraw/zinc/77/30/27/905773027.db2.gz CGVDJHRKVOJTQH-IWMITWMQSA-N 1 0 415.896 4.234 20 30 HIEDRO CC(C)C[N@@H+]1Cc2cccc(NC(=O)CCC(=O)N(CCC#N)c3ccccc3)c2C1 ZINC000494504929 905797325 /nfs/dbraw/zinc/79/73/25/905797325.db2.gz DVXSSIBNSUHJDL-UHFFFAOYSA-N 1 0 418.541 4.324 20 30 HIEDRO Cc1ccsc1[C@H](CO)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 ZINC000494622803 905869212 /nfs/dbraw/zinc/86/92/12/905869212.db2.gz BXLPEYAZTYKHMS-IBGZPJMESA-N 1 0 414.575 4.113 20 30 HIEDRO N#CCCn1cc(C[NH2+]Cc2ccncc2OCc2ccccc2)c(-c2ccncc2)n1 ZINC000512583771 921249686 /nfs/dbraw/zinc/24/96/86/921249686.db2.gz VASYMGJXYUTWOR-UHFFFAOYSA-N 1 0 424.508 4.123 20 30 HIEDRO N#Cc1cscc1C(=O)Nc1cccc(N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000497398735 906880480 /nfs/dbraw/zinc/88/04/80/906880480.db2.gz IYOXJYDMUXDFFQ-UHFFFAOYSA-N 1 0 416.550 4.237 20 30 HIEDRO C[NH+](C)CCOc1cc(C(=O)Nc2ccc(Oc3ccccc3C#N)c(F)c2)ccn1 ZINC000512681779 921285949 /nfs/dbraw/zinc/28/59/49/921285949.db2.gz QFYZGOKABVUZNS-UHFFFAOYSA-N 1 0 420.444 4.077 20 30 HIEDRO CC[N@H+](CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)[C@H](C)c1ccc(C#N)cc1 ZINC000497618652 907096333 /nfs/dbraw/zinc/09/63/33/907096333.db2.gz GAPMRZYAUJIJAM-LJQANCHMSA-N 1 0 415.541 4.060 20 30 HIEDRO N#Cc1ccccc1OCc1ccc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)o1 ZINC000497618257 907096546 /nfs/dbraw/zinc/09/65/46/907096546.db2.gz MDANXMFCRMOULB-UHFFFAOYSA-N 1 0 407.514 4.115 20 30 HIEDRO COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C[NH+]2CCC(C#N)CC2)c1 ZINC000512709873 921293647 /nfs/dbraw/zinc/29/36/47/921293647.db2.gz ICBYLMJSVCGATL-UHFFFAOYSA-N 1 0 402.498 4.292 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)CCOc1ccc2ccccc2c1 ZINC000497884427 907358153 /nfs/dbraw/zinc/35/81/53/907358153.db2.gz QVGPNKNEMUNNLE-UHFFFAOYSA-N 1 0 401.510 4.071 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](c2ccsc2)[NH+](C)C)cc1C ZINC000497987163 907464674 /nfs/dbraw/zinc/46/46/74/907464674.db2.gz TYAXOBROYSAKNF-OAQYLSRUSA-N 1 0 421.570 4.175 20 30 HIEDRO N#Cc1ccc(OC2CC[NH+](CCC(=O)N[C@@H]3CCCc4ccccc43)CC2)c(F)c1 ZINC000512832732 921335594 /nfs/dbraw/zinc/33/55/94/921335594.db2.gz JJRGBLSDWOTEGU-HSZRJFAPSA-N 1 0 421.516 4.124 20 30 HIEDRO C=CCN(CCc1ccco1)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000498552660 908014404 /nfs/dbraw/zinc/01/44/04/908014404.db2.gz GJXDFGXLSSPTAO-DHIUTWEWSA-N 1 0 409.530 4.006 20 30 HIEDRO C[NH+](C)CCn1ncc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)c1-c1ccccc1 ZINC000498643938 908084991 /nfs/dbraw/zinc/08/49/91/908084991.db2.gz DOQLTJFOGCBFEX-UHFFFAOYSA-N 1 0 401.514 4.165 20 30 HIEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000498703818 908128113 /nfs/dbraw/zinc/12/81/13/908128113.db2.gz LQXGVMNXGGJHHW-GBXCKJPGSA-N 1 0 402.542 4.166 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccco1 ZINC000498822459 908228846 /nfs/dbraw/zinc/22/88/46/908228846.db2.gz LGPLZPBVNSSTFP-IBGZPJMESA-N 1 0 407.470 4.136 20 30 HIEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)C(=O)c1csc(-c2ccc(F)cc2)n1 ZINC000499051253 908424078 /nfs/dbraw/zinc/42/40/78/908424078.db2.gz CFUVVEGYGVIFIX-UHFFFAOYSA-N 1 0 408.502 4.025 20 30 HIEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)C[C@@H]1C ZINC000499608363 908855180 /nfs/dbraw/zinc/85/51/80/908855180.db2.gz RJCPMFIGTGRQFI-RBUKOAKNSA-N 1 0 406.530 4.278 20 30 HIEDRO C=CCN1CC[C@H]([NH2+][C@@H](C)c2sc(-c3ccccc3Br)nc2C)C1=O ZINC000499625956 908859801 /nfs/dbraw/zinc/85/98/01/908859801.db2.gz NDYIYWPYHRRWES-LRDDRELGSA-N 1 0 420.376 4.319 20 30 HIEDRO C=CCN1CC[C@@H]([NH2+][C@H](C)c2sc(-c3ccccc3Br)nc2C)C1=O ZINC000499625957 908860077 /nfs/dbraw/zinc/86/00/77/908860077.db2.gz NDYIYWPYHRRWES-MLGOLLRUSA-N 1 0 420.376 4.319 20 30 HIEDRO CC(C)N1C(=O)C[C@@H]([NH2+]CCCC2(C#N)CCOCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000499718334 908887701 /nfs/dbraw/zinc/88/77/01/908887701.db2.gz KALVBIPOYLJQNV-TZIWHRDSSA-N 1 0 421.944 4.220 20 30 HIEDRO CC(C)N1C(=O)C[C@@H]([NH2+]CCCC2(C#N)CCOCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000499718331 908887848 /nfs/dbraw/zinc/88/78/48/908887848.db2.gz KALVBIPOYLJQNV-CTNGQTDRSA-N 1 0 421.944 4.220 20 30 HIEDRO Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+]Cc2cc(C#N)cs2)C1=O ZINC000512991545 921458748 /nfs/dbraw/zinc/45/87/48/921458748.db2.gz GMGPUXICRUZOAB-KRWDZBQOSA-N 1 0 418.360 4.284 20 30 HIEDRO N#Cc1ccc(OCc2ccc(C(=O)N3CCC(CCC[NH+]4CCCC4)CC3)o2)cc1 ZINC000500880879 910154430 /nfs/dbraw/zinc/15/44/30/910154430.db2.gz NQWDACBNPISJLF-UHFFFAOYSA-N 1 0 421.541 4.458 20 30 HIEDRO C=C(CNC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)c1ccccc1 ZINC000501088008 910288388 /nfs/dbraw/zinc/28/83/88/910288388.db2.gz NBFXSPCFLNBVPC-WIYYLYMNSA-N 1 0 401.913 4.485 20 30 HIEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H](CC)[N@@H+]1CCc2ccccc2C1 ZINC000501401797 910530692 /nfs/dbraw/zinc/53/06/92/910530692.db2.gz XJQNEWZNGKDVEA-XMMPIXPASA-N 1 0 404.558 4.317 20 30 HIEDRO COCCCn1c(C)c(C)c(C#N)c1NC(=O)C[NH2+][C@H](C)c1ccccc1SC ZINC000501533501 910641076 /nfs/dbraw/zinc/64/10/76/910641076.db2.gz QYMSOFAAZLRJGJ-MRXNPFEDSA-N 1 0 414.575 4.024 20 30 HIEDRO CNC(=O)CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 ZINC000513206324 921622962 /nfs/dbraw/zinc/62/29/62/921622962.db2.gz VQPIQQSGJSEOSZ-QFIPXVFZSA-N 1 0 421.541 4.027 20 30 HIEDRO Cc1ccc(-c2nc(CN3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cs2)o1 ZINC000502189835 911125562 /nfs/dbraw/zinc/12/55/62/911125562.db2.gz WRVNPNCSAJQXKU-UHFFFAOYSA-N 1 0 406.511 4.434 20 30 HIEDRO CCCC[NH+]1CCC(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000502224515 911173957 /nfs/dbraw/zinc/17/39/57/911173957.db2.gz UETQOPCNJYSWRP-UHFFFAOYSA-N 1 0 419.529 4.197 20 30 HIEDRO CC[NH+](CC)Cc1ccc(CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)cc1 ZINC000502397408 911381764 /nfs/dbraw/zinc/38/17/64/911381764.db2.gz GLSNYHGJRAHQFB-UHFFFAOYSA-N 1 0 402.542 4.399 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)COc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC000502528414 911531803 /nfs/dbraw/zinc/53/18/03/911531803.db2.gz BOBOPHIYKZEVTC-FQEVSTJZSA-N 1 0 419.447 4.155 20 30 HIEDRO N#Cc1ccc(C2=CC[N@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)CC2)cc1 ZINC000502552787 911559996 /nfs/dbraw/zinc/55/99/96/911559996.db2.gz ISFLGEDHLWGFCX-GOSISDBHSA-N 1 0 403.309 4.394 20 30 HIEDRO C=CCOc1cccc(NC(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)c1 ZINC000502647847 911688299 /nfs/dbraw/zinc/68/82/99/911688299.db2.gz MSTZLFSWOKQNAS-IBGZPJMESA-N 1 0 409.530 4.273 20 30 HIEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[N@@H+]2CCC[C@H]2c2ccncc2)c1C#N ZINC000503146319 912109227 /nfs/dbraw/zinc/10/92/27/912109227.db2.gz MRPDFNRXUQMWNL-QFIPXVFZSA-N 1 0 417.513 4.179 20 30 HIEDRO C[C@@H]1C[C@H](N(C)C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000513365804 921739528 /nfs/dbraw/zinc/73/95/28/921739528.db2.gz HQPGYKWVQPEKHO-WZONZLPQSA-N 1 0 405.517 4.240 20 30 HIEDRO C[C@H]1C[C@H](N(C)C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000513365799 921739969 /nfs/dbraw/zinc/73/99/69/921739969.db2.gz HQPGYKWVQPEKHO-FDDCHVKYSA-N 1 0 405.517 4.240 20 30 HIEDRO C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506478305 915083644 /nfs/dbraw/zinc/08/36/44/915083644.db2.gz FZOYPOPWRYSFLO-KURKYZTESA-N 1 0 414.619 4.022 20 30 HIEDRO CC[NH+](CC)[C@H](C(=O)N[C@@H](C#N)c1cccc(Br)c1)c1ccccc1 ZINC000506527686 915167668 /nfs/dbraw/zinc/16/76/68/915167668.db2.gz PPUCUXWGCYDVOI-OALUTQOASA-N 1 0 400.320 4.213 20 30 HIEDRO COc1cc(CCC2CC[NH+](Cc3cnc4ccc(C#N)cn34)CC2)cc(OC)c1 ZINC000506630840 915295775 /nfs/dbraw/zinc/29/57/75/915295775.db2.gz FWGZLWVFOAOGSG-UHFFFAOYSA-N 1 0 404.514 4.068 20 30 HIEDRO C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC[N@@H+]1Cc1ccccc1 ZINC000513406204 921774341 /nfs/dbraw/zinc/77/43/41/921774341.db2.gz OEIXTVQPUUDUFC-JPYJTQIMSA-N 1 0 407.533 4.486 20 30 HIEDRO CCN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000506889443 915684294 /nfs/dbraw/zinc/68/42/94/915684294.db2.gz NUMMRZYXTBMSJI-LJQANCHMSA-N 1 0 422.598 4.129 20 30 HIEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000507009221 915819855 /nfs/dbraw/zinc/81/98/55/915819855.db2.gz VNBPRFNYQSWFGB-UHFFFAOYSA-N 1 0 422.863 4.409 20 30 HIEDRO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH+]1CCC(n2c(C)ccc2C)CC1 ZINC000507346982 916100683 /nfs/dbraw/zinc/10/06/83/916100683.db2.gz IYQYGDGVHJKBLS-HXUWFJFHSA-N 1 0 408.546 4.086 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccc(F)cc1OC(F)F ZINC000507423164 916193921 /nfs/dbraw/zinc/19/39/21/916193921.db2.gz QVXSXYRBYNSKDY-UGSOOPFHSA-N 1 0 403.404 4.145 20 30 HIEDRO CC[N@H+](C[C@H](O)COc1ccc(Br)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000507702260 916483802 /nfs/dbraw/zinc/48/38/02/916483802.db2.gz PMVHCOIVULKBBA-BEFAXECRSA-N 1 0 403.320 4.144 20 30 HIEDRO C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCC([NH+]4CCCCC4)CC3)sc2C1 ZINC000507712376 916504887 /nfs/dbraw/zinc/50/48/87/916504887.db2.gz BFKOOXZGUOWRKV-KRWDZBQOSA-N 1 0 414.619 4.023 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCSCc2ccccc2C#N)c(-c2ccccc2)n1 ZINC000508329115 917132165 /nfs/dbraw/zinc/13/21/65/917132165.db2.gz WXYTUWIRJHLXIG-UHFFFAOYSA-N 1 0 401.539 4.358 20 30 HIEDRO CCOc1ccccc1CN1CCN(C(=O)c2ccc(C(C)(C)C#N)cc2)[C@H](C)C1 ZINC000508332330 917135579 /nfs/dbraw/zinc/13/55/79/917135579.db2.gz HLXNRPLOOHMURW-LJQANCHMSA-N 1 0 405.542 4.233 20 30 HIEDRO C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000508478577 917263163 /nfs/dbraw/zinc/26/31/63/917263163.db2.gz RZPFXOQQOUQOPD-RBUKOAKNSA-N 1 0 424.549 4.130 20 30 HIEDRO C=CCn1c(COc2ccccc2CC)nnc1N1CCC([NH+]2CCCCC2)CC1 ZINC000508492033 917277378 /nfs/dbraw/zinc/27/73/78/917277378.db2.gz VPNLADYWUJIFQW-UHFFFAOYSA-N 1 0 409.578 4.060 20 30 HIEDRO C=CCn1c(Cc2cccc3ccccc32)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000508510410 917296441 /nfs/dbraw/zinc/29/64/41/917296441.db2.gz RARWYMJYQAISQB-QFIPXVFZSA-N 1 0 401.558 4.273 20 30 HIEDRO C=CCn1c(-c2ccccn2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000508724509 917485967 /nfs/dbraw/zinc/48/59/67/917485967.db2.gz SNWAQKVFCYFZGS-FYYLOGMGSA-N 1 0 414.557 4.017 20 30 HIEDRO C=CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508733668 917492869 /nfs/dbraw/zinc/49/28/69/917492869.db2.gz NMECFHOLOFZTLE-VGOFRKELSA-N 1 0 402.546 4.066 20 30 HIEDRO C=CCn1c(CSc2ccc(Cl)cc2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000508741848 917500041 /nfs/dbraw/zinc/50/00/41/917500041.db2.gz ZKLDZPSCEMVQEE-UHFFFAOYSA-N 1 0 403.983 4.084 20 30 HIEDRO C=CCn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000508814786 917568781 /nfs/dbraw/zinc/56/87/81/917568781.db2.gz WKQKNTPNKMQYIQ-YMPZKCBVSA-N 1 0 405.590 4.459 20 30 HIEDRO Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000508851356 917604109 /nfs/dbraw/zinc/60/41/09/917604109.db2.gz GVZJGQBZOVLUKS-DVECYGJZSA-N 1 0 420.557 4.111 20 30 HIEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000508851072 917604436 /nfs/dbraw/zinc/60/44/36/917604436.db2.gz GVZJGQBZOVLUKS-CYFREDJKSA-N 1 0 420.557 4.111 20 30 HIEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000508879672 917632134 /nfs/dbraw/zinc/63/21/34/917632134.db2.gz JXPRVZBHUOZOHW-XMSQKQJNSA-N 1 0 410.518 4.292 20 30 HIEDRO C=CCn1c(Cc2ccccc2F)nnc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000508884046 917638191 /nfs/dbraw/zinc/63/81/91/917638191.db2.gz FHOBOAHSINEHQQ-OAQYLSRUSA-N 1 0 419.548 4.152 20 30 HIEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CC=C(c2ccc(C#N)cc2)CC1)[NH+](C)C ZINC000508889099 917643779 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RCLAVCOCQFSABY-NRFANRHFSA-N 1 0 424.570 4.010 20 30 HIEDRO Cc1ccc(-c2nn(CCC#N)cc2C(=O)N(C)C2CC[NH+](C(C)C)CC2)cc1C ZINC000509513440 918160941 /nfs/dbraw/zinc/16/09/41/918160941.db2.gz JNCRXUMPHGEMIV-UHFFFAOYSA-N 1 0 407.562 4.025 20 30 HIEDRO N#CCCn1cc(C[NH+]2CCC(Oc3cccc(C#N)c3)CC2)c(-c2ccccc2)n1 ZINC000510532904 918978857 /nfs/dbraw/zinc/97/88/57/918978857.db2.gz IJHDSJBJIORNPR-UHFFFAOYSA-N 1 0 411.509 4.379 20 30 HIEDRO Cc1ccccc1[C@H]([C@H](C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[NH+](C)C ZINC000510533957 918979088 /nfs/dbraw/zinc/97/90/88/918979088.db2.gz AYOFCJVLHRQTHF-UUOWRZLLSA-N 1 0 417.509 4.460 20 30 HIEDRO Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[NH+](C)C ZINC000510544515 918989320 /nfs/dbraw/zinc/98/93/20/918989320.db2.gz ISNGZACDLJLYNR-HOYKHHGWSA-N 1 0 414.509 4.475 20 30 HIEDRO Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1)[NH+](C)C ZINC000510554066 918998293 /nfs/dbraw/zinc/99/82/93/918998293.db2.gz SMVXXDFCIVCCHI-WMZHIEFXSA-N 1 0 415.541 4.193 20 30 HIEDRO C=CCNC(=O)c1ccc(NC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000510651357 919092327 /nfs/dbraw/zinc/09/23/27/919092327.db2.gz MBGOJONUKZWXEE-CTNGQTDRSA-N 1 0 420.557 4.025 20 30 HIEDRO C[C@@H](NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510787645 919251887 /nfs/dbraw/zinc/25/18/87/919251887.db2.gz MFKKFDXQTRMFLG-IEBWSBKVSA-N 1 0 407.514 4.113 20 30 HIEDRO CC[NH+](CC)[C@H](CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1)c1ccccc1 ZINC000510829489 919309877 /nfs/dbraw/zinc/30/98/77/919309877.db2.gz YAVGHNHDWACTSF-XMMPIXPASA-N 1 0 420.557 4.194 20 30 HIEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cccc(C(=O)Nc2cccc(C#N)c2)c1 ZINC000510934549 919456903 /nfs/dbraw/zinc/45/69/03/919456903.db2.gz FYQFHGHQOFIKIQ-ROUUACIJSA-N 1 0 419.529 4.052 20 30 HIEDRO C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000510976343 919525719 /nfs/dbraw/zinc/52/57/19/919525719.db2.gz UEFXOIGKAONWTA-HKUYNNGSSA-N 1 0 407.514 4.113 20 30 HIEDRO CC(C)(C)[NH+]1CCC(NC(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)CC1 ZINC000511455558 920065468 /nfs/dbraw/zinc/06/54/68/920065468.db2.gz IBSOEENVVKAZAY-UHFFFAOYSA-N 1 0 419.529 4.195 20 30 HIEDRO C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 ZINC000511506792 920124070 /nfs/dbraw/zinc/12/40/70/920124070.db2.gz JJABPTYSANCJSF-UHFFFAOYSA-N 1 0 407.533 4.346 20 30 HIEDRO C[C@H]([NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)C(=O)NC1(C#N)CCCCC1 ZINC000511603704 920250757 /nfs/dbraw/zinc/25/07/57/920250757.db2.gz IIHPVBQWNHKQAT-KBXCAEBGSA-N 1 0 409.452 4.357 20 30 HIEDRO C=CCN1CCC([NH2+][C@H](C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000512013448 920785938 /nfs/dbraw/zinc/78/59/38/920785938.db2.gz ATWNVOZEBHOGNP-CYBMUJFWSA-N 1 0 403.876 4.316 20 30 HIEDRO N#C[C@H](NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F)c1ccccc1Cl ZINC000512274382 921029082 /nfs/dbraw/zinc/02/90/82/921029082.db2.gz CILOIACGCBFKBK-HKUYNNGSSA-N 1 0 403.860 4.178 20 30 HIEDRO 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922666517 /nfs/dbraw/zinc/66/65/17/922666517.db2.gz UBBKKPNHXZDQIO-UHFFFAOYSA-N 1 0 406.530 4.236 20 30 HIEDRO C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000514830883 922818710 /nfs/dbraw/zinc/81/87/10/922818710.db2.gz GTPHZCKCWHKEMJ-FQEVSTJZSA-N 1 0 409.578 4.148 20 30 HIEDRO C[C@]12CCC[N@@H+]1C[C@@H](c1noc(-c3ccc(OCc4ccccc4C#N)cc3)n1)OC2 ZINC000514928405 922846458 /nfs/dbraw/zinc/84/64/58/922846458.db2.gz UNUVQJCMTAUVOX-XUZZJYLKSA-N 1 0 416.481 4.113 20 30 HIEDRO C[N@H+](CCCNC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1)Cc1ccccc1 ZINC000515100774 922913330 /nfs/dbraw/zinc/91/33/30/922913330.db2.gz KGALEVRRSCQRNB-UHFFFAOYSA-N 1 0 419.554 4.249 20 30 HIEDRO C=CCn1c(-c2ncccc2C)nnc1N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000515922706 923437611 /nfs/dbraw/zinc/43/76/11/923437611.db2.gz WBUILHHVDOMSOX-UHFFFAOYSA-N 1 0 422.964 4.200 20 30 HIEDRO C=C(C)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000516196772 923592310 /nfs/dbraw/zinc/59/23/10/923592310.db2.gz 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HIEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1 ZINC000518471217 927296123 /nfs/dbraw/zinc/29/61/23/927296123.db2.gz XXVUPMRTLOBHEF-IBGZPJMESA-N 1 0 410.493 4.128 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000518683561 927430181 /nfs/dbraw/zinc/43/01/81/927430181.db2.gz XWUCXUVEEGKYQQ-KRWDZBQOSA-N 1 0 412.559 4.200 20 30 HIEDRO CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(Oc2cccc(C#N)c2)CC1 ZINC000519201493 927824561 /nfs/dbraw/zinc/82/45/61/927824561.db2.gz OHFJMSWKNYCTJU-HXUWFJFHSA-N 1 0 405.542 4.227 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)c2cn(-c3ccccc3)nc2-c2cccc(C)c2)CC1 ZINC000519271040 927857318 /nfs/dbraw/zinc/85/73/18/927857318.db2.gz ISADNIHRMUELIY-UHFFFAOYSA-N 1 0 400.526 4.228 20 30 HIEDRO C=CCN(CCc1ccccc1)C(=O)NCc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000519487429 927984510 /nfs/dbraw/zinc/98/45/10/927984510.db2.gz GFXNKOMSVWUTFU-SZPZYZBQSA-N 1 0 421.585 4.236 20 30 HIEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 ZINC000519531269 928007592 /nfs/dbraw/zinc/00/75/92/928007592.db2.gz NKKDWEYTTBKQFR-GOSISDBHSA-N 1 0 416.997 4.008 20 30 HIEDRO CC[NH+]1CCC(CNC(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)CC1 ZINC000519662966 928040281 /nfs/dbraw/zinc/04/02/81/928040281.db2.gz QBKDOUQQIBEXKH-UHFFFAOYSA-N 1 0 410.493 4.130 20 30 HIEDRO CC(C)[N@@H+](Cc1cc(Br)ccc1F)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000519908865 928142227 /nfs/dbraw/zinc/14/22/27/928142227.db2.gz VEIIYGYXQGTOOA-GOSISDBHSA-N 1 0 421.310 4.110 20 30 HIEDRO N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CCC[N@@H+]3Cc3ccccc3)c2)c1 ZINC000520146934 928341845 /nfs/dbraw/zinc/34/18/45/928341845.db2.gz SKHOMLZWRKXRSK-DEOSSOPVSA-N 1 0 424.504 4.414 20 30 HIEDRO N#Cc1cccc(OCCCCC(=O)NCC2CC[NH+](Cc3cccs3)CC2)c1 ZINC000520395573 928546134 /nfs/dbraw/zinc/54/61/34/928546134.db2.gz PWAAKIIBWFCTQT-UHFFFAOYSA-N 1 0 411.571 4.197 20 30 HIEDRO C[N@H+](CCOCc1ccc(C#N)cc1)Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000520892368 928862722 /nfs/dbraw/zinc/86/27/22/928862722.db2.gz BHFPXZDVNHJXFA-UHFFFAOYSA-N 1 0 423.520 4.455 20 30 HIEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000520952234 928887848 /nfs/dbraw/zinc/88/78/48/928887848.db2.gz GVCUTDBVDMYYRO-LJQANCHMSA-N 1 0 418.434 4.224 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]CC2(N3CCC(OC)CC3)CCCC2)ccc1OC ZINC000520973362 928897653 /nfs/dbraw/zinc/89/76/53/928897653.db2.gz YOAKAIKBNDWBPZ-UHFFFAOYSA-N 1 0 402.579 4.163 20 30 HIEDRO COc1ccc(OC)c([C@H]2CCCN2C(=O)C[N@H+](Cc2ccc(C#N)cc2)C(C)C)c1 ZINC000521196720 929055773 /nfs/dbraw/zinc/05/57/73/929055773.db2.gz WJIMXJRARXPBJS-HSZRJFAPSA-N 1 0 421.541 4.150 20 30 HIEDRO CC[NH+](CC)[C@@H](CNC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccco1 ZINC000521509742 929263410 /nfs/dbraw/zinc/26/34/10/929263410.db2.gz YDFSYFJGEIJIRJ-SFHVURJKSA-N 1 0 407.436 4.032 20 30 HIEDRO C=CC[NH+]1CCC(NC(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)CC1 ZINC000521594555 929317256 /nfs/dbraw/zinc/31/72/56/929317256.db2.gz JWTUFWIJGHUEBD-SGAUDOEVSA-N 1 0 401.554 4.233 20 30 HIEDRO COCC(=O)Nc1cccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)c1 ZINC000521819100 929476024 /nfs/dbraw/zinc/47/60/24/929476024.db2.gz PRRBFYVSGGITFV-UHFFFAOYSA-N 1 0 415.493 4.012 20 30 HIEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000521904132 929548673 /nfs/dbraw/zinc/54/86/73/929548673.db2.gz HKJVATNHVQYFPF-UHFFFAOYSA-N 1 0 407.967 4.240 20 30 HIEDRO C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 ZINC000521961161 929598475 /nfs/dbraw/zinc/59/84/75/929598475.db2.gz ZYHFBLNTMYQZOT-QHCPKHFHSA-N 1 0 413.521 4.448 20 30 HIEDRO C[NH+](C)[C@@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)c1ccsc1 ZINC000524526478 929665462 /nfs/dbraw/zinc/66/54/62/929665462.db2.gz JBZDGLYZLCZTNM-QFIPXVFZSA-N 1 0 405.523 4.231 20 30 HIEDRO CC(C)CN(C(=O)c1cccc(COc2ccc(C#N)cc2)c1)C1CC[NH+](C)CC1 ZINC000524544364 929675142 /nfs/dbraw/zinc/67/51/42/929675142.db2.gz RNYOKDGKCYYLFF-UHFFFAOYSA-N 1 0 405.542 4.330 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[NH2+]CC(=O)N2CCCc3ccccc32)c1 ZINC000524680755 929792948 /nfs/dbraw/zinc/79/29/48/929792948.db2.gz WJGBBFSAPGZAKL-UHFFFAOYSA-N 1 0 411.505 4.206 20 30 HIEDRO C[NH+](C)C1(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)Cc2ccccc2C1 ZINC000525031616 929990144 /nfs/dbraw/zinc/99/01/44/929990144.db2.gz AUZDTCPZLDOYIL-UHFFFAOYSA-N 1 0 411.505 4.180 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(N(CC(F)(F)F)C(=O)c3ccccc3F)CC2)cc1 ZINC000525126262 930050275 /nfs/dbraw/zinc/05/02/75/930050275.db2.gz RPVXMEDMDXHKCQ-UHFFFAOYSA-N 1 0 419.422 4.366 20 30 HIEDRO N#Cc1nnc2ccccc2c1N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000525359238 930194672 /nfs/dbraw/zinc/19/46/72/930194672.db2.gz WTKCGWXJCFKULI-UHFFFAOYSA-N 1 0 411.431 4.233 20 30 HIEDRO COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCSCc1ccccc1C#N ZINC000530664609 930791072 /nfs/dbraw/zinc/79/10/72/930791072.db2.gz MRDCVLPJKXCKIH-UHFFFAOYSA-N 1 0 410.495 4.123 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(COc2ccccc2C#N)o1)c1ccc(Cl)cc1 ZINC000530829291 930833981 /nfs/dbraw/zinc/83/39/81/930833981.db2.gz ZUXFHFVZRMPNNT-HXUWFJFHSA-N 1 0 423.900 4.416 20 30 HIEDRO C[NH+](C)[C@H](CNC(=O)c1occc1COc1cccc(C#N)c1)c1ccc(Cl)cc1 ZINC000531318925 931014957 /nfs/dbraw/zinc/01/49/57/931014957.db2.gz LLUZGVZUPXXWPP-OAQYLSRUSA-N 1 0 423.900 4.416 20 30 HIEDRO COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCOc2ccc(C#N)cc2)c1 ZINC000531594547 931113205 /nfs/dbraw/zinc/11/32/05/931113205.db2.gz JBNXJKGYDZDXMQ-UHFFFAOYSA-N 1 0 404.514 4.354 20 30 HIEDRO Cc1cc(N(CCC#N)C(=O)CN2CC[NH+](CC3CCCCC3)CC2)ccc1Cl ZINC000531840915 931216044 /nfs/dbraw/zinc/21/60/44/931216044.db2.gz CDDQORKXCVXOFA-UHFFFAOYSA-N 1 0 416.997 4.093 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCN(C(=O)C4CCCCC4)C3)c2)c1 ZINC000531863604 931225449 /nfs/dbraw/zinc/22/54/49/931225449.db2.gz GOHDLUMZNYSWEC-DEOSSOPVSA-N 1 0 417.553 4.408 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@@H]3CCN(c4ncccc4F)C3)c2)c1 ZINC000532040120 931294501 /nfs/dbraw/zinc/29/45/01/931294501.db2.gz SFZSQIASNUHUIZ-OAQYLSRUSA-N 1 0 402.473 4.040 20 30 HIEDRO N#Cc1cccc(COc2cccc(C[NH2+][C@H]3CCN(c4ncccc4F)C3)c2)c1 ZINC000532040119 931294699 /nfs/dbraw/zinc/29/46/99/931294699.db2.gz SFZSQIASNUHUIZ-NRFANRHFSA-N 1 0 402.473 4.040 20 30 HIEDRO C=C(C)COc1cc(C[NH2+]Cc2cc3c(cc2OC(F)F)OCO3)ccc1OC ZINC000532046630 931295777 /nfs/dbraw/zinc/29/57/77/931295777.db2.gz ZGVZDWGABPWQFV-UHFFFAOYSA-N 1 0 407.413 4.270 20 30 HIEDRO O=C1[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCN1CC(F)(F)F ZINC000532564087 931526114 /nfs/dbraw/zinc/52/61/14/931526114.db2.gz BQVRFJVUMPJYDV-GFCCVEGCSA-N 1 0 422.291 4.367 20 30 HIEDRO COc1ccc([C@H]([NH2+]CCC(=O)Nc2ccc(C#N)cc2)c2ccc(F)cc2)cc1 ZINC000532703544 931596918 /nfs/dbraw/zinc/59/69/18/931596918.db2.gz ZWGSCJOWGFQSJT-XMMPIXPASA-N 1 0 403.457 4.414 20 30 HIEDRO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000532709182 931600909 /nfs/dbraw/zinc/60/09/09/931600909.db2.gz RKQCWFUVSFUZIV-CQSZACIVSA-N 1 0 407.905 4.295 20 30 HIEDRO COc1cc(C[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)ccc1OCc1cccc(C#N)c1 ZINC000532959625 931714036 /nfs/dbraw/zinc/71/40/36/931714036.db2.gz STQNZOVGEHEWIU-WIYYLYMNSA-N 1 0 420.431 4.033 20 30 HIEDRO CCOc1ccc(-c2nc(CN3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)co2)cc1 ZINC000533306139 931834152 /nfs/dbraw/zinc/83/41/52/931834152.db2.gz MEQJOMNQSYLQMM-UHFFFAOYSA-N 1 0 416.525 4.320 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CC=C(c3c[nH]c4ncccc34)CC1)CCC2 ZINC000533344208 931843917 /nfs/dbraw/zinc/84/39/17/931843917.db2.gz SUESHSHLBVRFQF-UHFFFAOYSA-N 1 0 417.538 4.103 20 30 HIEDRO C=CCn1c(SCC[C@H]2CCC[N@H+]2C)nnc1-c1ccc(Br)cc1 ZINC000533886889 932081038 /nfs/dbraw/zinc/08/10/38/932081038.db2.gz CGZMLXCJTMDTJN-MRXNPFEDSA-N 1 0 407.381 4.470 20 30 HIEDRO C[N@@H+]1CC[C@H](NC(=O)c2cccc(COc3ccccc3C#N)c2)[C@@H]1c1ccccc1 ZINC000534757093 932733653 /nfs/dbraw/zinc/73/36/53/932733653.db2.gz UDYZEZACAXYKQI-ZCYQVOJMSA-N 1 0 411.505 4.312 20 30 HIEDRO Cc1ccc(C#N)cc1NC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000534959157 932859815 /nfs/dbraw/zinc/85/98/15/932859815.db2.gz CYLJRBMQEBVBQF-OXJNMPFZSA-N 1 0 400.885 4.474 20 30 HIEDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(CC#N)cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000535676108 933325401 /nfs/dbraw/zinc/32/54/01/933325401.db2.gz OGNPASJNDUZZCH-JXFKEZNVSA-N 1 0 400.885 4.360 20 30 HIEDRO Cc1sc(NC(=O)CN2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(C#N)c1C ZINC000535678939 933328983 /nfs/dbraw/zinc/32/89/83/933328983.db2.gz DRTVAMYZWCZMMF-UHFFFAOYSA-N 1 0 422.598 4.163 20 30 HIEDRO CCOc1cc2c(cc1C[NH2+]C1CCN(Cc3ccc(C#N)cc3)CC1)O[C@@H](C)C2 ZINC000537293046 933700890 /nfs/dbraw/zinc/70/08/90/933700890.db2.gz GPGYVXXVDRSQHA-SFHVURJKSA-N 1 0 405.542 4.035 20 30 HIEDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2Oc2ccccc2C#N)[C@@H](C)C1 ZINC000537574501 938327867 /nfs/dbraw/zinc/32/78/67/938327867.db2.gz PCCAGDRONLNBLX-SIKLNZKXSA-N 1 0 421.541 4.217 20 30 HIEDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2Oc2ccccc2C#N)[C@@H](C)C1 ZINC000537574503 938327963 /nfs/dbraw/zinc/32/79/63/938327963.db2.gz PCCAGDRONLNBLX-UGKGYDQZSA-N 1 0 421.541 4.217 20 30 HIEDRO C[C@@H](C#N)CSc1ccccc1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537925918 938415969 /nfs/dbraw/zinc/41/59/69/938415969.db2.gz BEVZYTZQDBVNFS-KRWDZBQOSA-N 1 0 409.559 4.371 20 30 HIEDRO C[C@@H](NC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1)[C@H](c1ccccc1)[NH+](C)C ZINC000563316875 945177950 /nfs/dbraw/zinc/17/79/50/945177950.db2.gz ZHCOGHMPADKSKQ-AUUYWEPGSA-N 1 0 420.435 4.312 20 30 HIEDRO CC[N@@H+]1CCCN(C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1 ZINC000538023803 938468513 /nfs/dbraw/zinc/46/85/13/938468513.db2.gz MLCXJIORFBDSJM-UHFFFAOYSA-N 1 0 412.921 4.350 20 30 HIEDRO C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1 ZINC000538110474 938504924 /nfs/dbraw/zinc/50/49/24/938504924.db2.gz GUCOHYPDSLMYJR-NRFANRHFSA-N 1 0 402.542 4.099 20 30 HIEDRO C[C@@H]([NH2+]Cc1ccc(-c2ccccc2C#N)cc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000538113411 938505099 /nfs/dbraw/zinc/50/50/99/938505099.db2.gz SEGKQCIUMVNJOJ-GOSISDBHSA-N 1 0 419.550 4.326 20 30 HIEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)c1ccc(Cl)cc1 ZINC000538128156 938513274 /nfs/dbraw/zinc/51/32/74/938513274.db2.gz JDGBSQPREQMBSR-FQEVSTJZSA-N 1 0 416.953 4.346 20 30 HIEDRO CCOc1ccc([C@@H]([NH2+]CC(=O)NC2(C#N)CCCCC2)C(C)C)cc1OCC ZINC000538141947 938519154 /nfs/dbraw/zinc/51/91/54/938519154.db2.gz TYIXFFPFDLSOCB-QFIPXVFZSA-N 1 0 401.551 4.113 20 30 HIEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1C#N ZINC000538168908 938533944 /nfs/dbraw/zinc/53/39/44/938533944.db2.gz XBPJNZQWZOTLMF-HNNXBMFYSA-N 1 0 408.502 4.110 20 30 HIEDRO C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH2+][C@@H](CC)c1ccc2c(c1)OCCO2 ZINC000538176514 938537768 /nfs/dbraw/zinc/53/77/68/938537768.db2.gz TWESIHHFWBYJPA-APWZRJJASA-N 1 0 400.544 4.163 20 30 HIEDRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC(=O)Nc2oc(C)c(C)c2C#N)cc1 ZINC000538181398 938541085 /nfs/dbraw/zinc/54/10/85/938541085.db2.gz XSVFLVYXGYNVPW-QFIPXVFZSA-N 1 0 421.472 4.428 20 30 HIEDRO N#Cc1c(NC(=O)C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)sc2c1CCCCC2 ZINC000538186579 938543132 /nfs/dbraw/zinc/54/31/32/938543132.db2.gz SXONFWQLDLZETJ-HTAPYJJXSA-N 1 0 409.555 4.195 20 30 HIEDRO Cc1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000538277480 938581687 /nfs/dbraw/zinc/58/16/87/938581687.db2.gz QERCPBDQDMBWLG-OAHLLOKOSA-N 1 0 400.866 4.154 20 30 HIEDRO C=CCOc1c(Br)cc(CN2CC[C@@H](C[N@@H+](C)CCC)C2)cc1OC ZINC000538722163 938691570 /nfs/dbraw/zinc/69/15/70/938691570.db2.gz ZZJDAXZHSXQLPS-INIZCTEOSA-N 1 0 411.384 4.186 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(Cc3cccnc3)CC2)c1 ZINC000538945752 938744249 /nfs/dbraw/zinc/74/42/49/938744249.db2.gz NIIYFTDITVOLML-NRFANRHFSA-N 1 0 404.558 4.288 20 30 HIEDRO N#Cc1ccccc1-c1ccc(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000539102103 938803234 /nfs/dbraw/zinc/80/32/34/938803234.db2.gz HCWAYGTXPKTLMB-XMMPIXPASA-N 1 0 410.521 4.149 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)c1C ZINC000539256334 938827823 /nfs/dbraw/zinc/82/78/23/938827823.db2.gz AEQLGIJXDHPRJD-LJQANCHMSA-N 1 0 418.541 4.249 20 30 HIEDRO C[C@H]([NH2+]CC(=O)NCc1cccc(C#N)c1)c1ccc(Oc2ccccc2)c(F)c1 ZINC000539265288 938829804 /nfs/dbraw/zinc/82/98/04/938829804.db2.gz GYDMGYMTMQFCSG-KRWDZBQOSA-N 1 0 403.457 4.457 20 30 HIEDRO CCSc1ccc([C@@H](C)[NH2+]CC(=O)Nc2c(C#N)cnn2-c2ccccc2)cc1 ZINC000539303090 938837283 /nfs/dbraw/zinc/83/72/83/938837283.db2.gz ICHVOBBNNLRUBQ-MRXNPFEDSA-N 1 0 405.527 4.145 20 30 HIEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000539304753 938837732 /nfs/dbraw/zinc/83/77/32/938837732.db2.gz WBBJOXVKYGMZJJ-NXMSCROESA-N 1 0 411.521 4.498 20 30 HIEDRO CC[C@H]([NH2+]CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C(C)(C)c1ccccc1 ZINC000539424771 938858731 /nfs/dbraw/zinc/85/87/31/938858731.db2.gz OMMIRCXNXAFAML-NRFANRHFSA-N 1 0 401.514 4.028 20 30 HIEDRO N#CC1(c2ccccc2)CCC([NH2+]CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000539508867 938870764 /nfs/dbraw/zinc/87/07/64/938870764.db2.gz AFGLEAGTULFOLH-UHFFFAOYSA-N 1 0 401.510 4.057 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)cc1OC ZINC000539669350 938897812 /nfs/dbraw/zinc/89/78/12/938897812.db2.gz QHBBFAQHHAMHFT-GOSISDBHSA-N 1 0 410.352 4.414 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1OC ZINC000539817785 938942369 /nfs/dbraw/zinc/94/23/69/938942369.db2.gz NPRGRKGQXILEMX-HXUWFJFHSA-N 1 0 410.352 4.415 20 30 HIEDRO C=CCOc1cccc(C[NH+]2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)c1 ZINC000539839275 938953587 /nfs/dbraw/zinc/95/35/87/938953587.db2.gz OOKYQSSPXYBISA-KRWDZBQOSA-N 1 0 420.509 4.066 20 30 HIEDRO Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)c1 ZINC000540408369 939238117 /nfs/dbraw/zinc/23/81/17/939238117.db2.gz SQEGIROSOQKHNH-FQEVSTJZSA-N 1 0 418.541 4.028 20 30 HIEDRO Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)N(C)CCC[NH+](C)C ZINC000540516621 939284694 /nfs/dbraw/zinc/28/46/94/939284694.db2.gz IQMHRHBAELNMCW-UHFFFAOYSA-N 1 0 414.575 4.049 20 30 HIEDRO C[C@H]([NH2+]C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)c1ccc(C#N)cc1 ZINC000540595101 939314311 /nfs/dbraw/zinc/31/43/11/939314311.db2.gz UODQQVWJZBFHFZ-KKSFZXQISA-N 1 0 403.448 4.301 20 30 HIEDRO C[C@H]([NH2+]C[C@@H](c1c(F)cccc1Cl)N1CCO[C@H](C)C1)c1cccc(C#N)c1 ZINC000540596191 939314771 /nfs/dbraw/zinc/31/47/71/939314771.db2.gz BCHAHJYPDYVNMD-XFQAVAEZSA-N 1 0 401.913 4.463 20 30 HIEDRO CN1CC[C@H]([NH2+]C2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000540607183 939318209 /nfs/dbraw/zinc/31/82/09/939318209.db2.gz RYAGWEQFSSKWQY-ZEQRLZLVSA-N 1 0 408.977 4.211 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(N[C@H](c3cccc(F)c3)c3ccccn3)CC2)cc1 ZINC000540607571 939318240 /nfs/dbraw/zinc/31/82/40/939318240.db2.gz DVFWLSMMVDXZEC-RUZDIDTESA-N 1 0 400.501 4.436 20 30 HIEDRO N#CCC1CC[NH+](C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000541018449 939431891 /nfs/dbraw/zinc/43/18/91/939431891.db2.gz DDPHIHXJUSFAFT-JOCHJYFZSA-N 1 0 400.469 4.057 20 30 HIEDRO OC[C@@H]([NH2+]CC#Cc1ccc(OC(F)(F)F)cc1)c1cccc(Br)c1 ZINC000541055245 939443595 /nfs/dbraw/zinc/44/35/95/939443595.db2.gz SBJFXMQASLRJLI-QGZVFWFLSA-N 1 0 414.221 4.022 20 30 HIEDRO CC1CC[NH+](C2CCC(NC(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)CC2)CC1 ZINC000541099686 939459866 /nfs/dbraw/zinc/45/98/66/939459866.db2.gz YMCILEYBRUUCCS-UHFFFAOYSA-N 1 0 424.524 4.048 20 30 HIEDRO C[C@@H]([NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541176233 939484337 /nfs/dbraw/zinc/48/43/37/939484337.db2.gz ZMYHOBNNOKIGSP-SJORKVTESA-N 1 0 405.523 4.284 20 30 HIEDRO C[C@@H]([NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000541175842 939484370 /nfs/dbraw/zinc/48/43/70/939484370.db2.gz GMZUXLAWSPYHBM-IAGOWNOFSA-N 1 0 405.523 4.284 20 30 HIEDRO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 ZINC000541193219 939485112 /nfs/dbraw/zinc/48/51/12/939485112.db2.gz DLCWXDMNWUUKIZ-MRXNPFEDSA-N 1 0 419.504 4.352 20 30 HIEDRO COc1ccc(C[N@@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)cc1OCCCC#N ZINC000541247795 939487480 /nfs/dbraw/zinc/48/74/80/939487480.db2.gz ZGBZQRCYZWCISE-QGZVFWFLSA-N 1 0 422.451 4.430 20 30 HIEDRO COCC[C@H](NCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1)c1ccc(C)o1 ZINC000541648063 939586285 /nfs/dbraw/zinc/58/62/85/939586285.db2.gz DEXSTEHONWXTMO-IBGZPJMESA-N 1 0 403.910 4.164 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc(OCC(F)(F)C(F)F)nc3)CC2)cc1 ZINC000541908916 939651694 /nfs/dbraw/zinc/65/16/94/939651694.db2.gz RBSUSNGPTFAMKE-UHFFFAOYSA-N 1 0 422.426 4.309 20 30 HIEDRO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(CC#N)CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000541966319 939665027 /nfs/dbraw/zinc/66/50/27/939665027.db2.gz XEGFRZPDNOMGHQ-UYAOXDASSA-N 1 0 422.495 4.424 20 30 HIEDRO COc1cc(C[NH2+][C@@H](CO)c2ccccc2C)ccc1OCc1cccc(C#N)c1 ZINC000541984152 939670483 /nfs/dbraw/zinc/67/04/83/939670483.db2.gz KYVSZXGFJVQMOI-QHCPKHFHSA-N 1 0 402.494 4.278 20 30 HIEDRO C=CCOc1c(Br)cc(C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)cc1OC ZINC000542708663 939855653 /nfs/dbraw/zinc/85/56/53/939855653.db2.gz KUXHSDRWAVTISQ-HNNXBMFYSA-N 1 0 410.352 4.414 20 30 HIEDRO C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542934046 939881365 /nfs/dbraw/zinc/88/13/65/939881365.db2.gz GVAKHDGJDZHAAP-QRWLVFNGSA-N 1 0 401.432 4.429 20 30 HIEDRO C[C@H](NC(=O)NC1CC[NH+](CC2CC2)CC1)c1ccc(-c2cccc(C#N)c2)cc1 ZINC000542982006 939891339 /nfs/dbraw/zinc/89/13/39/939891339.db2.gz YHNKBLVJNYIFRV-SFHVURJKSA-N 1 0 402.542 4.460 20 30 HIEDRO N#Cc1ccc(NC(=O)c2ccc(C[NH+]3CCSCC3)cc2)cc1Br ZINC000563749486 945281236 /nfs/dbraw/zinc/28/12/36/945281236.db2.gz XVWRCXHAPPKBBW-UHFFFAOYSA-N 1 0 416.344 4.122 20 30 HIEDRO C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H](CCC#N)c1ccccc1 ZINC000543074159 939925816 /nfs/dbraw/zinc/92/58/16/939925816.db2.gz MBCDAALDPNKOHF-JTSKRJEESA-N 1 0 404.514 4.387 20 30 HIEDRO CC(C)([C@@H](NC(=O)c1c(F)cc(C#N)cc1F)c1ccc(F)c(F)c1)[NH+]1CCCC1 ZINC000543389797 940049329 /nfs/dbraw/zinc/04/93/29/940049329.db2.gz NOLNTHUNSIUZDA-FQEVSTJZSA-N 1 0 419.422 4.460 20 30 HIEDRO Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C ZINC000543516560 940092661 /nfs/dbraw/zinc/09/26/61/940092661.db2.gz XDKMVJWPKCZCTK-RBZFPXEDSA-N 1 0 404.967 4.477 20 30 HIEDRO N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)cc1 ZINC000563783196 945301244 /nfs/dbraw/zinc/30/12/44/945301244.db2.gz UVEOHKIIJVUSBA-XMMPIXPASA-N 1 0 417.534 4.040 20 30 HIEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1c1cccc(OC)c1 ZINC000544125636 940332807 /nfs/dbraw/zinc/33/28/07/940332807.db2.gz NIVLEVWTTRNYFU-VPHKFGTKSA-N 1 0 405.542 4.234 20 30 HIEDRO CSc1c(F)cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cc1F ZINC000544275623 940376826 /nfs/dbraw/zinc/37/68/26/940376826.db2.gz QQHZYCVAHXIBGV-UHFFFAOYSA-N 1 0 404.486 4.154 20 30 HIEDRO C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000544287494 940380347 /nfs/dbraw/zinc/38/03/47/940380347.db2.gz ZRXUKFXSIDZCRY-LJQANCHMSA-N 1 0 402.542 4.458 20 30 HIEDRO CC[C@@H]([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1)c1c(C)nn(C)c1C ZINC000544412131 940416600 /nfs/dbraw/zinc/41/66/00/940416600.db2.gz HJJKLTWKCRTWDI-HXUWFJFHSA-N 1 0 410.566 4.121 20 30 HIEDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(Cl)c(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000544412031 940416636 /nfs/dbraw/zinc/41/66/36/940416636.db2.gz MWTIROZQRZMEPT-AUUYWEPGSA-N 1 0 406.288 4.427 20 30 HIEDRO N#CCCN(CCC#N)C(=O)C[NH2+][C@@H]1CCCCC[C@@H]1c1ccccc1C(F)(F)F ZINC000544419922 940419765 /nfs/dbraw/zinc/41/97/65/940419765.db2.gz PREZGGNAKSSHGP-UYAOXDASSA-N 1 0 420.479 4.367 20 30 HIEDRO C[C@H](NCC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544425110 940424653 /nfs/dbraw/zinc/42/46/53/940424653.db2.gz OLBUTHPDGLFMLO-DLBZAZTESA-N 1 0 414.619 4.070 20 30 HIEDRO CCCc1c(NC2CC[NH+](Cc3ccc(C#N)cc3)CC2)cnn1-c1cc(C)ccn1 ZINC000544942468 940526691 /nfs/dbraw/zinc/52/66/91/940526691.db2.gz XWJPNAVCFKMYQZ-UHFFFAOYSA-N 1 0 414.557 4.476 20 30 HIEDRO C=C(C)[C@H](Cc1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1)OCC ZINC000545766908 940584749 /nfs/dbraw/zinc/58/47/49/940584749.db2.gz FYQCSMJECQNHHU-IBGZPJMESA-N 1 0 404.942 4.056 20 30 HIEDRO COc1cc(C#N)ccc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000546001683 940672937 /nfs/dbraw/zinc/67/29/37/940672937.db2.gz GDVSWAOAMCSRKO-DEOSSOPVSA-N 1 0 404.514 4.087 20 30 HIEDRO N#CCCCOc1cccc(CN2CCc3c(ncn3CCc3ccccc3)C2)c1 ZINC000546255997 940749967 /nfs/dbraw/zinc/74/99/67/940749967.db2.gz QAWRERHZUOVRLK-UHFFFAOYSA-N 1 0 400.526 4.367 20 30 HIEDRO COc1cc(C#N)ccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000546711013 940871598 /nfs/dbraw/zinc/87/15/98/940871598.db2.gz DUNUEXJGGFTWLP-IFMALSPDSA-N 1 0 404.514 4.085 20 30 HIEDRO CC(C)N1CC[C@@H](NC(=O)c2ccc(C#N)c(Cl)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000548636821 941116764 /nfs/dbraw/zinc/11/67/64/941116764.db2.gz LGAYFJRDHRRORB-UXHICEINSA-N 1 0 403.860 4.444 20 30 HIEDRO N#C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccc(OC(F)(F)F)cc1 ZINC000549035268 941146606 /nfs/dbraw/zinc/14/66/06/941146606.db2.gz ZZVSOOUFXUMBSL-LJQANCHMSA-N 1 0 403.404 4.176 20 30 HIEDRO N#Cc1cc(C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)cnc1C(F)(F)F ZINC000549087852 941155598 /nfs/dbraw/zinc/15/55/98/941155598.db2.gz LUCFKAIXMHJXJZ-UHFFFAOYSA-N 1 0 422.838 4.020 20 30 HIEDRO N#Cc1cc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)cnc1C(F)(F)F ZINC000549537729 941198515 /nfs/dbraw/zinc/19/85/15/941198515.db2.gz URAODRNBOMWBIU-UHFFFAOYSA-N 1 0 402.420 4.253 20 30 HIEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccs2)C1 ZINC000549580150 941200235 /nfs/dbraw/zinc/20/02/35/941200235.db2.gz UXVXRZYJTZAWSU-LJQANCHMSA-N 1 0 420.586 4.095 20 30 HIEDRO C=C(C)Cn1c([C@@H]2OCC[C@@H]2C)nnc1N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000549680943 941204303 /nfs/dbraw/zinc/20/43/03/941204303.db2.gz KWZWRXPUIUSMPJ-PCCBWWKXSA-N 1 0 401.599 4.044 20 30 HIEDRO C=C(C)Cn1c(-c2ncccc2C)nnc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549691037 941204720 /nfs/dbraw/zinc/20/47/20/941204720.db2.gz SHEAYVWEDLGGPU-QFIPXVFZSA-N 1 0 416.573 4.183 20 30 HIEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ccc(COC4CCOCC4)cc3)CC2)cc1 ZINC000552062970 941577070 /nfs/dbraw/zinc/57/70/70/941577070.db2.gz LNSQOCKVQRUTAH-UHFFFAOYSA-N 1 0 405.542 4.012 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(NCc3cc(F)c(F)cc3Br)CC2)cc1 ZINC000552100631 941585314 /nfs/dbraw/zinc/58/53/14/941585314.db2.gz OWSFPTXKUSYJRD-UHFFFAOYSA-N 1 0 420.301 4.353 20 30 HIEDRO C=CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCSc3ccc(F)cc32)c(OC)c1 ZINC000552497259 941688735 /nfs/dbraw/zinc/68/87/35/941688735.db2.gz BDVVRXZKYBYUCK-IEBWSBKVSA-N 1 0 403.519 4.129 20 30 HIEDRO C[C@H](CNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)[NH+]1CCC(C)CC1 ZINC000553238172 941854743 /nfs/dbraw/zinc/85/47/43/941854743.db2.gz RVXWMMOYIYCOAC-GOSISDBHSA-N 1 0 416.997 4.055 20 30 HIEDRO CCOc1ccc(N(CCC#N)C(=O)C[NH2+][C@@H](C)c2cccc(N3CCCC3)c2)cc1 ZINC000553409554 941880498 /nfs/dbraw/zinc/88/04/98/941880498.db2.gz COPWJUYMPQXTJP-FQEVSTJZSA-N 1 0 420.557 4.283 20 30 HIEDRO N#CCC[C@H](NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)c1ccccc1 ZINC000553681725 941943559 /nfs/dbraw/zinc/94/35/59/941943559.db2.gz YNJGYOSEDUCZJO-UKILVPOCSA-N 1 0 402.542 4.339 20 30 HIEDRO C[C@H](C[N@H+](CC(=O)N(CCC#N)c1cccc(Cl)c1)[C@@H](C)CO)c1ccccc1 ZINC000553935951 942002389 /nfs/dbraw/zinc/00/23/89/942002389.db2.gz NMEDTJOBRKGNBC-MOPGFXCFSA-N 1 0 413.949 4.073 20 30 HIEDRO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000554216446 942070648 /nfs/dbraw/zinc/07/06/48/942070648.db2.gz GYAYPFZTSYCHRE-QHCPKHFHSA-N 1 0 411.594 4.417 20 30 HIEDRO C=C(C)COCCNC(=O)N[C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000554916619 942318099 /nfs/dbraw/zinc/31/80/99/942318099.db2.gz MTSIHOLMMFBBRP-KRIYCRJKSA-N 1 0 405.970 4.146 20 30 HIEDRO C=CCn1c(-c2ccccn2)nnc1N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000554930589 942323981 /nfs/dbraw/zinc/32/39/81/942323981.db2.gz MXKUYWXGZPZWGD-CTNGQTDRSA-N 1 0 402.546 4.188 20 30 HIEDRO C[NH+](C)Cc1cc(CNC(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)ccc1F ZINC000555007318 942353261 /nfs/dbraw/zinc/35/32/61/942353261.db2.gz CTODTMSJAIJJQL-UHFFFAOYSA-N 1 0 419.460 4.268 20 30 HIEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+][C@H]1CCN(C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000555131389 942396524 /nfs/dbraw/zinc/39/65/24/942396524.db2.gz MUUFDPQOSJNXJK-DWLFOUALSA-N 1 0 422.976 4.037 20 30 HIEDRO CN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000555213871 942432865 /nfs/dbraw/zinc/43/28/65/942432865.db2.gz DGDHQSNGXWXCFH-IZZNHLLZSA-N 1 0 424.548 4.368 20 30 HIEDRO C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[NH+](C2CCCCC2)CC1 ZINC000555238284 942441647 /nfs/dbraw/zinc/44/16/47/942441647.db2.gz KYSSQLUTJSPLNM-UHFFFAOYSA-N 1 0 418.589 4.381 20 30 HIEDRO C=C(C)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC000555273465 942458565 /nfs/dbraw/zinc/45/85/65/942458565.db2.gz XOKKGMIJWCXMQG-GOSISDBHSA-N 1 0 413.541 4.198 20 30 HIEDRO N#CCCn1cc(C[N@H+](Cc2ccc(-n3cncn3)cc2)C2CC2)c(-c2ccccc2)n1 ZINC000555366321 942497211 /nfs/dbraw/zinc/49/72/11/942497211.db2.gz XSIITZKZPQXUKR-UHFFFAOYSA-N 1 0 423.524 4.209 20 30 HIEDRO COc1cc([C@@H](C)[NH2+]Cc2cnc3c(C#N)cnn3c2)ccc1OCc1ccccc1 ZINC000555527681 942629267 /nfs/dbraw/zinc/62/92/67/942629267.db2.gz LSBAVOZAULICFB-QGZVFWFLSA-N 1 0 413.481 4.039 20 30 HIEDRO C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000556104751 942806013 /nfs/dbraw/zinc/80/60/13/942806013.db2.gz KAILZSUGNCOZOT-DENIHFKCSA-N 1 0 417.525 4.216 20 30 HIEDRO C=CCn1c(SCCCN2CC[NH+](C(C)C)CC2)nnc1-c1cccc(Cl)c1 ZINC000556336500 942844097 /nfs/dbraw/zinc/84/40/97/942844097.db2.gz NEKCZLKSPGJMHG-UHFFFAOYSA-N 1 0 420.026 4.293 20 30 HIEDRO Cc1cc(C#N)cnc1C(=O)Nc1ccc(C[N@@H+](C[C@H]2CCCCO2)C(C)C)cc1 ZINC000556706483 942930112 /nfs/dbraw/zinc/93/01/12/942930112.db2.gz FDBJQSHEGXKSDY-JOCHJYFZSA-N 1 0 406.530 4.294 20 30 HIEDRO COc1cccc([C@@H]2[C@H]([NH2+]C3CCN(c4ccc(C#N)cc4)CC3)CCN2C2CC2)c1 ZINC000556891478 942954400 /nfs/dbraw/zinc/95/44/00/942954400.db2.gz ZOLSJGYEXLIKOD-CLJLJLNGSA-N 1 0 416.569 4.103 20 30 HIEDRO C[C@H]([NH2+]C1CCC(Oc2ccccc2C#N)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000557268022 943064080 /nfs/dbraw/zinc/06/40/80/943064080.db2.gz LMWFBAWYZWRFBO-MNNVXMFVSA-N 1 0 416.518 4.142 20 30 HIEDRO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 ZINC000557489402 943164177 /nfs/dbraw/zinc/16/41/77/943164177.db2.gz RXMNHITXSUOTOG-UHFFFAOYSA-N 1 0 419.504 4.059 20 30 HIEDRO CC[NH+](CC)CCCCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 ZINC000557533861 943195053 /nfs/dbraw/zinc/19/50/53/943195053.db2.gz PHTGUNMVKKRMIS-UHFFFAOYSA-N 1 0 404.986 4.056 20 30 HIEDRO C=CCOc1ccccc1CNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557853754 943313043 /nfs/dbraw/zinc/31/30/43/943313043.db2.gz JEPUIOLCOBJOJH-RUZDIDTESA-N 1 0 405.542 4.059 20 30 HIEDRO C=CCOc1ccccc1CNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557853755 943313363 /nfs/dbraw/zinc/31/33/63/943313363.db2.gz JEPUIOLCOBJOJH-VWLOTQADSA-N 1 0 405.542 4.059 20 30 HIEDRO N#CCCn1cc(C(=O)CN2CCC[C@H](C[NH+]3CCCCCC3)C2)c2ccccc21 ZINC000558290268 943486365 /nfs/dbraw/zinc/48/63/65/943486365.db2.gz XZCUWAFTIOYNEC-OAQYLSRUSA-N 1 0 406.574 4.326 20 30 HIEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000558448029 943562011 /nfs/dbraw/zinc/56/20/11/943562011.db2.gz ORXDGKFLOXOFGP-YUVXSKOASA-N 1 0 409.578 4.223 20 30 HIEDRO C[C@@H]([NH2+]CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccc(C#N)cc1 ZINC000558740921 943636464 /nfs/dbraw/zinc/63/64/64/943636464.db2.gz FFUOMWWLJKERLE-MZNJEOGPSA-N 1 0 401.535 4.445 20 30 HIEDRO CCN1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000558902099 943736282 /nfs/dbraw/zinc/73/62/82/943736282.db2.gz MGEALVDNMSQOIY-WVFSVQOHSA-N 1 0 414.912 4.103 20 30 HIEDRO C=CCOc1ccc(C[NH2+][C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)cc1OC ZINC000559343204 943901330 /nfs/dbraw/zinc/90/13/30/943901330.db2.gz YHKAHXXEOMHPOZ-LAUBAEHRSA-N 1 0 412.505 4.241 20 30 HIEDRO C[C@H]([NH2+][C@H]1CCN(c2sccc2C#N)C1=O)c1ccc(OCc2cccnc2)cc1 ZINC000559560582 944005139 /nfs/dbraw/zinc/00/51/39/944005139.db2.gz CIMMBHIECAWWRR-KKSFZXQISA-N 1 0 418.522 4.050 20 30 HIEDRO CC(C)N1CC[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)[C@H]1c1ccc(Cl)c(F)c1 ZINC000560257121 944209509 /nfs/dbraw/zinc/20/95/09/944209509.db2.gz LJBICHLPFYHKGL-RBBKRZOGSA-N 1 0 411.912 4.312 20 30 HIEDRO N#CCCn1cc(C[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)c(-c2ccncc2)n1 ZINC000560611795 944273277 /nfs/dbraw/zinc/27/32/77/944273277.db2.gz IQSYGZUBRDQZEZ-NRFANRHFSA-N 1 0 407.905 4.165 20 30 HIEDRO C=CCOc1cc(OC)ccc1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000560676632 944291696 /nfs/dbraw/zinc/29/16/96/944291696.db2.gz FADBECNGSPVGQB-UHFFFAOYSA-N 1 0 420.553 4.388 20 30 HIEDRO C=CCc1cc(C(=O)N2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc(OC)c1OC ZINC000560756581 944321081 /nfs/dbraw/zinc/32/10/81/944321081.db2.gz KZQDNUKREUPVDA-AREMUKBSSA-N 1 0 420.553 4.171 20 30 HIEDRO CCS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(OCc3ccccc3C#N)c2)cc1 ZINC000561814644 944808394 /nfs/dbraw/zinc/80/83/94/944808394.db2.gz GYOMFWJTYLECSX-UHFFFAOYSA-N 1 0 420.534 4.221 20 30 HIEDRO C=CCOc1ccc(CNC(=O)N(CC)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000561877846 944833416 /nfs/dbraw/zinc/83/34/16/944833416.db2.gz SEAYCQOCYJKTPP-QHCPKHFHSA-N 1 0 407.558 4.305 20 30 HIEDRO COc1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)c2cc(C)cc(C)c2)c(C)c1OC ZINC000561933874 944863815 /nfs/dbraw/zinc/86/38/15/944863815.db2.gz ATDZIRUNULLVIF-IBGZPJMESA-N 1 0 409.530 4.227 20 30 HIEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc4sccc4c3)CC2)cc1 ZINC000562254641 945045784 /nfs/dbraw/zinc/04/57/84/945045784.db2.gz UNOHGZRCFWJEQH-UHFFFAOYSA-N 1 0 404.539 4.190 20 30 HIEDRO C=CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000564375356 945540260 /nfs/dbraw/zinc/54/02/60/945540260.db2.gz DCBISSAVAQCWKE-VGSWGCGISA-N 1 0 404.562 4.154 20 30 HIEDRO CC(C)Cn1c(C2CCCC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000564623021 945712680 /nfs/dbraw/zinc/71/26/80/945712680.db2.gz UUGQOGPKHBAJJZ-UHFFFAOYSA-N 1 0 406.578 4.176 20 30 HIEDRO Cc1cccc(COc2ccc(C[NH2+]CCS(=O)(=O)c3ccc(C#N)cc3)cc2)c1 ZINC000564792761 945759477 /nfs/dbraw/zinc/75/94/77/945759477.db2.gz LQXILHACCYYBFY-UHFFFAOYSA-N 1 0 420.534 4.009 20 30 HIEDRO N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc(-n4ccnc4)c(Cl)c3)C2)c(F)c1 ZINC000565262608 945794995 /nfs/dbraw/zinc/79/49/95/945794995.db2.gz JUUYOXGGGFUUHO-OAHLLOKOSA-N 1 0 409.852 4.001 20 30 HIEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)c1occc1COc1cccc(C#N)c1)c1ccco1 ZINC000565265027 945796426 /nfs/dbraw/zinc/79/64/26/945796426.db2.gz NGGRVWOTLUFTCN-UZLBHIALSA-N 1 0 407.470 4.182 20 30 HIEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000565767051 945880943 /nfs/dbraw/zinc/88/09/43/945880943.db2.gz KTCNGEIOSLUFJG-DYESRHJHSA-N 1 0 420.513 4.450 20 30 HIEDRO CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000566331116 946002708 /nfs/dbraw/zinc/00/27/08/946002708.db2.gz ODOIKYOEIXWMFY-VWLOTQADSA-N 1 0 402.586 4.417 20 30 HIEDRO C=CCn1c([C@@H]2OCC[C@@H]2C)nnc1N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000566374214 946012595 /nfs/dbraw/zinc/01/25/95/946012595.db2.gz UMUBVEZORNRPAI-YUVXSKOASA-N 1 0 409.578 4.051 20 30 HIEDRO CC[NH+](CC)CCNC(=O)c1cccc(NCc2ccc(C#N)cc2C(F)(F)F)c1 ZINC000567315444 946308095 /nfs/dbraw/zinc/30/80/95/946308095.db2.gz SNVQXUQTMNWLTO-UHFFFAOYSA-N 1 0 418.463 4.261 20 30 HIEDRO Cc1cccc([C@@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)N2CCOCC2)c1 ZINC000567403220 946326371 /nfs/dbraw/zinc/32/63/71/946326371.db2.gz BAXHTUVCAHKWDN-OAQYLSRUSA-N 1 0 403.448 4.049 20 30 HIEDRO C=C(C)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000568903280 946741305 /nfs/dbraw/zinc/74/13/05/946741305.db2.gz JNHCKBMESGLKJV-OAQYLSRUSA-N 1 0 409.578 4.054 20 30 HIEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)c1ccco1 ZINC000569402321 946868485 /nfs/dbraw/zinc/86/84/85/946868485.db2.gz UWQZMYMGRIKAEI-OXJNMPFZSA-N 1 0 407.470 4.182 20 30 HIEDRO N#CCCn1cc(C[NH2+]CCOc2cccc(Cl)c2Cl)c(-c2ccncc2)n1 ZINC000569420116 946873814 /nfs/dbraw/zinc/87/38/14/946873814.db2.gz OULHCJAZBKVKEB-UHFFFAOYSA-N 1 0 416.312 4.334 20 30 HIEDRO CN(C(=O)Nc1ccccc1COc1ccc(CC#N)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000569914755 947045127 /nfs/dbraw/zinc/04/51/27/947045127.db2.gz MTVYYMHICQOCDN-CBQGHPETSA-N 1 0 418.541 4.421 20 30 HIEDRO N#Cc1c2c(sc1NC(=O)CC[N@@H+]1CCC[C@@H](c3ccncc3)C1)CCCCC2 ZINC000569969436 947057163 /nfs/dbraw/zinc/05/71/63/947057163.db2.gz ZUWQDZCHXQEOSP-GOSISDBHSA-N 1 0 408.571 4.492 20 30 HIEDRO N#Cc1ccccc1COc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 ZINC000570671141 947325019 /nfs/dbraw/zinc/32/50/19/947325019.db2.gz UADDOJPLRYSJRS-CTNGQTDRSA-N 1 0 404.432 4.130 20 30 HIEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 ZINC000571353622 947614229 /nfs/dbraw/zinc/61/42/29/947614229.db2.gz OUUMKDWYHAVMCU-DENIHFKCSA-N 1 0 418.541 4.422 20 30 HIEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2c3ccccc3CC23CCOCC3)c1C ZINC000571604717 947727001 /nfs/dbraw/zinc/72/70/01/947727001.db2.gz JFWJQWZVTVJBQB-RUZDIDTESA-N 1 0 417.553 4.234 20 30 HIEDRO COc1ccc([C@H](CCC#N)[NH2+]Cc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000571752721 947774566 /nfs/dbraw/zinc/77/45/66/947774566.db2.gz PZOZFPQAPQXYQZ-JXQFQVJHSA-N 1 0 421.541 4.079 20 30 HIEDRO COC(=O)c1ccc(-c2ccc(C[NH+]3CCC(C#N)(c4ccccn4)CC3)o2)cc1 ZINC000571897736 947808277 /nfs/dbraw/zinc/80/82/77/947808277.db2.gz RCXMNPQERXLTRK-UHFFFAOYSA-N 1 0 401.466 4.186 20 30 HIEDRO N#Cc1ccc(C[NH+]2CCC(Nc3ccc4nccnc4c3Br)CC2)cc1 ZINC000572625627 947960467 /nfs/dbraw/zinc/96/04/67/947960467.db2.gz QGDADMWBPSBJPY-UHFFFAOYSA-N 1 0 422.330 4.340 20 30 HIEDRO C[C@H](C[NH2+][C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccc(C(F)(F)F)cc1 ZINC000572646768 947965939 /nfs/dbraw/zinc/96/59/39/947965939.db2.gz KABZIVCAKDJMJD-QRWLVFNGSA-N 1 0 401.432 4.071 20 30 HIEDRO C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)CCC(C)(C)C#N ZINC000573019540 948059260 /nfs/dbraw/zinc/05/92/60/948059260.db2.gz ASWIBAMPQVYBOM-UHFFFAOYSA-N 1 0 420.406 4.017 20 30 HIEDRO Cc1ccc([C@H](C[NH2+]Cc2ccc(C#N)cc2C(F)(F)F)N2CCOCC2)cc1 ZINC000573886487 948320844 /nfs/dbraw/zinc/32/08/44/948320844.db2.gz QCPXVFODHYXDSI-NRFANRHFSA-N 1 0 403.448 4.049 20 30 HIEDRO CC1CC[NH+]([C@H](CNC(=O)NC2(c3cccc(C#N)c3)CC2)c2cccs2)CC1 ZINC000574594559 948486370 /nfs/dbraw/zinc/48/63/70/948486370.db2.gz RWOJYOAQSKJMEG-HXUWFJFHSA-N 1 0 408.571 4.381 20 30 HIEDRO CC(C)Oc1ccc([C@H](CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)[NH+](C)C)cc1 ZINC000575475194 948670981 /nfs/dbraw/zinc/67/09/81/948670981.db2.gz VNXMKCRLEXWZIL-QFIPXVFZSA-N 1 0 411.521 4.181 20 30 HIEDRO