smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1cc(C#N)cnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164706975 719904438 /nfs/dbraw/zinc/90/44/38/719904438.db2.gz MGSWLZUQLRZTKQ-UHFFFAOYSA-N 1 1 412.515 2.673 20 30 HFEDMO Cc1c(Cl)c(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1C#N ZINC001164743627 720646834 /nfs/dbraw/zinc/64/68/34/720646834.db2.gz PRQHJZXERVWYSF-QWHCGFSZSA-N 1 1 405.289 2.700 20 30 HFEDMO N#CC1(c2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2)CCC1 ZINC001164745129 720828550 /nfs/dbraw/zinc/82/85/50/720828550.db2.gz WMBJYNGOPROJDP-KSEOMHKRSA-N 1 1 417.561 2.998 20 30 HFEDMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc([C@@H](C#N)c4ccc(C)cc4)nn3)CC[C@@H]2C1 ZINC001164854782 720837011 /nfs/dbraw/zinc/83/70/11/720837011.db2.gz SHMPPQQGLSPNJW-FUPPJEDESA-N 1 1 421.545 2.614 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)ncc4C#N)C[C@@H]3C2)cn1 ZINC001164771776 721141410 /nfs/dbraw/zinc/14/14/10/721141410.db2.gz TVQDTOJGGPFQGO-HOCLYGCPSA-N 1 1 406.868 2.843 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(C#N)cc(Cl)n4)C[C@H]3C2)cn1 ZINC001164769943 721142500 /nfs/dbraw/zinc/14/25/00/721142500.db2.gz QLWJJEBBOZBFID-JKSUJKDBSA-N 1 1 406.868 2.843 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(C#N)ccc4NC(=O)C(C)(C)C)C[C@@H]3C2)cn1 ZINC001164773348 721173847 /nfs/dbraw/zinc/17/38/47/721173847.db2.gz WMOQAHAFDYKDNW-ROUUACIJSA-N 1 1 421.549 2.630 20 30 HFEDMO COc1cc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)ncc1C#N ZINC001164778614 721331679 /nfs/dbraw/zinc/33/16/79/721331679.db2.gz XTOSCDVPFYMTRC-JOCHJYFZSA-N 1 1 411.506 2.686 20 30 HFEDMO COc1cc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)ncc1C#N ZINC001164778614 721331683 /nfs/dbraw/zinc/33/16/83/721331683.db2.gz XTOSCDVPFYMTRC-JOCHJYFZSA-N 1 1 411.506 2.686 20 30 HFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ncc1C#N)CC2 ZINC001164784224 721454812 /nfs/dbraw/zinc/45/48/12/721454812.db2.gz DPUABXDASFVOHF-GOSISDBHSA-N 1 1 419.957 2.736 20 30 HFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3ccc(C#N)cc32)[C@H]2CCCO[C@@H]12 ZINC001164803106 721537675 /nfs/dbraw/zinc/53/76/75/721537675.db2.gz ICHCAQFKVDPDDI-BHDDXSALSA-N 1 1 400.486 2.765 20 30 HFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3ccc(C#N)cc32)[C@H]2CCCO[C@@H]12 ZINC001164803106 721537678 /nfs/dbraw/zinc/53/76/78/721537678.db2.gz ICHCAQFKVDPDDI-BHDDXSALSA-N 1 1 400.486 2.765 20 30 HFEDMO CN(C)S(=O)(=O)c1ccccc1NN=Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000793191961 1078097156 /nfs/dbraw/zinc/09/71/56/1078097156.db2.gz QBHORMYGMMYFRY-UHFFFAOYSA-N 1 1 416.547 2.858 20 30 HFEDMO C=CC[C@]1(C(=O)N2CC[NH+](CCOC(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790701228 1078099880 /nfs/dbraw/zinc/09/98/80/1078099880.db2.gz JCBCLIHEXNPPFW-JOCHJYFZSA-N 1 1 409.571 2.901 20 30 HFEDMO C#CCNc1nc(NCc2ccn(C(C)C)n2)[nH+]c(NCc2ccn(C(C)C)n2)n1 ZINC000804474630 1078535100 /nfs/dbraw/zinc/53/51/00/1078535100.db2.gz VGPCAHOZCVUSQJ-UHFFFAOYSA-N 1 1 408.514 2.696 20 30 HFEDMO C#CCNc1nc(NCc2ccn(C(C)C)n2)nc(NCc2ccn(C(C)C)n2)[nH+]1 ZINC000804474630 1078535109 /nfs/dbraw/zinc/53/51/09/1078535109.db2.gz VGPCAHOZCVUSQJ-UHFFFAOYSA-N 1 1 408.514 2.696 20 30 HFEDMO C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000805134209 1078931915 /nfs/dbraw/zinc/93/19/15/1078931915.db2.gz UCQYKDQHWDZJOX-UNMCSNQZSA-N 1 1 405.546 2.526 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC000805806141 1079282290 /nfs/dbraw/zinc/28/22/90/1079282290.db2.gz IZQXAPKFGOQVFH-UGKGYDQZSA-N 1 1 406.530 2.938 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000805807417 1079282679 /nfs/dbraw/zinc/28/26/79/1079282679.db2.gz HIOQWQHUBXOSQM-NYVOZVTQSA-N 1 1 406.530 2.842 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805814124 1079288320 /nfs/dbraw/zinc/28/83/20/1079288320.db2.gz PTEZEUCVIQUSOU-NYVOZVTQSA-N 1 1 406.530 2.842 20 30 HFEDMO C[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[C@@H](Cc2ccccc2)C1 ZINC001130550595 1079487359 /nfs/dbraw/zinc/48/73/59/1079487359.db2.gz QUTVBJYYUHUNAC-RTWAWAEBSA-N 1 1 406.505 2.909 20 30 HFEDMO C[N@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[C@@H](Cc2ccccc2)C1 ZINC001130550595 1079487363 /nfs/dbraw/zinc/48/73/63/1079487363.db2.gz QUTVBJYYUHUNAC-RTWAWAEBSA-N 1 1 406.505 2.909 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1)c1ccncc1 ZINC000787631646 1076884614 /nfs/dbraw/zinc/88/46/14/1076884614.db2.gz MCTAROIZJGKJQC-FCHUYYIVSA-N 1 1 406.530 2.768 20 30 HFEDMO C[C@@H](OC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1(C#N)CCC1 ZINC000787706792 1076920140 /nfs/dbraw/zinc/92/01/40/1076920140.db2.gz SFLCJBGUMCTBTF-QRWLVFNGSA-N 1 1 423.435 2.935 20 30 HFEDMO COc1ccc(CNC(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cc1C#N ZINC000746725864 1077055787 /nfs/dbraw/zinc/05/57/87/1077055787.db2.gz QQNBGBPFIBXRBV-UHFFFAOYSA-N 1 1 411.506 2.883 20 30 HFEDMO C#CCC1(C(=O)NCc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CCCCC1 ZINC000788174104 1077066954 /nfs/dbraw/zinc/06/69/54/1077066954.db2.gz ZOTPLOMRFAXKOY-UHFFFAOYSA-N 1 1 411.546 2.937 20 30 HFEDMO CC(C)(C)OC(=O)N1CCN(CC[N@H+]2CCCN(c3ccccc3C#N)CC2)CC1 ZINC000788483450 1077176619 /nfs/dbraw/zinc/17/66/19/1077176619.db2.gz RHSLMQKUUXPUKY-UHFFFAOYSA-N 1 1 413.566 2.623 20 30 HFEDMO C=CC[C@]1(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000790950625 1077252318 /nfs/dbraw/zinc/25/23/18/1077252318.db2.gz QRLWJJWZAZOANY-HTAPYJJXSA-N 1 1 409.571 2.636 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](CC)[N@H+]2CCc3ccccc3C2)n1 ZINC000788867692 1077324779 /nfs/dbraw/zinc/32/47/79/1077324779.db2.gz YJIUSMVFHQCVBG-HSZRJFAPSA-N 1 1 423.561 2.511 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)n1 ZINC000788876854 1077327036 /nfs/dbraw/zinc/32/70/36/1077327036.db2.gz ZNGJTHXCCGUEIN-UHFFFAOYSA-N 1 1 423.561 2.511 20 30 HFEDMO C#CCn1ccc(CN(CC)C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)n1 ZINC000788882130 1077328844 /nfs/dbraw/zinc/32/88/44/1077328844.db2.gz PEGVAHGYPGEAPC-UHFFFAOYSA-N 1 1 415.488 2.991 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(-n3cc[nH+]c3C)c(F)c2)n1 ZINC000788906497 1077347565 /nfs/dbraw/zinc/34/75/65/1077347565.db2.gz VWOOCHPQFCWCIM-UHFFFAOYSA-N 1 1 424.480 2.508 20 30 HFEDMO C#CCn1ccc(CN(CC)C(=O)N[C@H](CC)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000789099483 1077410970 /nfs/dbraw/zinc/41/09/70/1077410970.db2.gz HXAROLDBCGWZMC-PKTZIBPZSA-N 1 1 423.561 2.727 20 30 HFEDMO C#CCn1ccc(CN(CC)C(=O)N[C@H](CC)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000789099483 1077410973 /nfs/dbraw/zinc/41/09/73/1077410973.db2.gz HXAROLDBCGWZMC-PKTZIBPZSA-N 1 1 423.561 2.727 20 30 HFEDMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000792150001 1077723918 /nfs/dbraw/zinc/72/39/18/1077723918.db2.gz WGRRANNKZIOERX-QGZVFWFLSA-N 1 1 406.914 2.964 20 30 HFEDMO CNC(=O)CO[C@H]1CO[C@@]2(C1)CCC[N@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170382614 1077964356 /nfs/dbraw/zinc/96/43/56/1077964356.db2.gz BPBBKQLHZIASHV-RTIYUPOBSA-N 1 1 411.546 2.777 20 30 HFEDMO C=CC[C@@]1(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CCCN1C(=O)OC(C)(C)C ZINC000790249052 1077976994 /nfs/dbraw/zinc/97/69/94/1077976994.db2.gz AOFCAIQNJNIKPK-AVRDEDQJSA-N 1 1 409.571 2.805 20 30 HFEDMO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807249121 1080405293 /nfs/dbraw/zinc/40/52/93/1080405293.db2.gz MPAVVGYMKKBJDD-QGZVFWFLSA-N 1 1 410.543 2.703 20 30 HFEDMO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807249988 1080408076 /nfs/dbraw/zinc/40/80/76/1080408076.db2.gz NPBKLWKAGKYZFR-KXBFYZLASA-N 1 1 410.543 2.702 20 30 HFEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC[C@@H]21 ZINC000807249849 1080408143 /nfs/dbraw/zinc/40/81/43/1080408143.db2.gz JEFGTOATRMSKCY-QUCCMNQESA-N 1 1 422.554 2.846 20 30 HFEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000807544712 1080761344 /nfs/dbraw/zinc/76/13/44/1080761344.db2.gz ZGTMKNVSEYBFHF-QFBILLFUSA-N 1 1 409.461 2.555 20 30 HFEDMO CCOC(=O)c1cc(C)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)c1C#N ZINC001164813145 720093665 /nfs/dbraw/zinc/09/36/65/720093665.db2.gz SSVDQTNNSFKFNA-FDDCHVKYSA-N 1 1 412.534 2.623 20 30 HFEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(OC)c1C#N)CC2 ZINC001164717360 720110898 /nfs/dbraw/zinc/11/08/98/720110898.db2.gz NQEUYQDBHYGYMD-IBGZPJMESA-N 1 1 407.518 2.864 20 30 HFEDMO Cc1nc(CN2CCN(C)C3(CCN(c4ccc(CC#N)c(C)[nH+]4)CC3)C2=O)cs1 ZINC001164820498 720381453 /nfs/dbraw/zinc/38/14/53/720381453.db2.gz PGCVPPWWGICJHG-UHFFFAOYSA-N 1 1 424.574 2.534 20 30 HFEDMO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746349 720625226 /nfs/dbraw/zinc/62/52/26/720625226.db2.gz XYCVIVZTELVWSN-UXHICEINSA-N 1 1 416.460 2.891 20 30 HFEDMO N#CCc1cncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164750949 720904497 /nfs/dbraw/zinc/90/44/97/720904497.db2.gz CGUOBQBHVQVUJM-URXFXBBRSA-N 1 1 418.545 2.693 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc(Cl)nc4C#N)C[C@@H]3C2)cn1 ZINC001164763443 721107790 /nfs/dbraw/zinc/10/77/90/721107790.db2.gz FYDSHOHOUVACNF-GJZGRUSLSA-N 1 1 406.868 2.843 20 30 HFEDMO N#CC1(c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2)CCOCC1 ZINC001164879480 721132237 /nfs/dbraw/zinc/13/22/37/721132237.db2.gz SQNAFUPPIUSQKP-FGZHOGPDSA-N 1 1 419.529 2.528 20 30 HFEDMO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164784701 721420175 /nfs/dbraw/zinc/42/01/75/721420175.db2.gz LBTJXKUDVCISMD-GJZGRUSLSA-N 1 1 410.547 2.963 20 30 HFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OC)c(C#N)cn1)CC2 ZINC001164790439 721450090 /nfs/dbraw/zinc/45/00/90/721450090.db2.gz ZBJZVOHEDSZSIC-FQEVSTJZSA-N 1 1 414.550 2.696 20 30 HFEDMO N#Cc1ccc2ccnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164912378 721778554 /nfs/dbraw/zinc/77/85/54/721778554.db2.gz LDKQXISLQFMQGL-XMMPIXPASA-N 1 1 415.497 2.609 20 30 HFEDMO N#Cc1ccc2ccnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164912378 721778560 /nfs/dbraw/zinc/77/85/60/721778560.db2.gz LDKQXISLQFMQGL-XMMPIXPASA-N 1 1 415.497 2.609 20 30 HFEDMO Cc1nc(Cl)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1C#N ZINC001164963261 722056379 /nfs/dbraw/zinc/05/63/79/722056379.db2.gz KGFKHLOZGIWISV-UHFFFAOYSA-N 1 1 412.925 2.824 20 30 HFEDMO N#Cc1cc(F)c(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976541 722100171 /nfs/dbraw/zinc/10/01/71/722100171.db2.gz DVHMIVDJRKCSBU-YJBOKZPZSA-N 1 1 401.873 2.868 20 30 HFEDMO C=CCOC(=O)N1CCC(OC(=O)c2ccc(N3CC[NH+](CC)CC3)c(F)c2)CC1 ZINC000790839341 1078141667 /nfs/dbraw/zinc/14/16/67/1078141667.db2.gz CPQGVMUFYCVLSE-UHFFFAOYSA-N 1 1 419.497 2.911 20 30 HFEDMO C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)c1 ZINC000794223098 1078387156 /nfs/dbraw/zinc/38/71/56/1078387156.db2.gz RMSRETSBKPQKIB-UHFFFAOYSA-N 1 1 405.907 2.565 20 30 HFEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000804460911 1078502170 /nfs/dbraw/zinc/50/21/70/1078502170.db2.gz QCXDDKKVRKWTDA-UHFFFAOYSA-N 1 1 421.538 2.619 20 30 HFEDMO C#CCNc1nc(NCCc2ccncc2C)nc(NCCc2ccncc2C)[nH+]1 ZINC000804575297 1078615736 /nfs/dbraw/zinc/61/57/36/1078615736.db2.gz NFXAHZPRNLRIBF-UHFFFAOYSA-N 1 1 402.506 2.633 20 30 HFEDMO N#Cc1ccc(F)c(CNC(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000805158146 1078950227 /nfs/dbraw/zinc/95/02/27/1078950227.db2.gz SQQNYCLVLXOQII-JOCHJYFZSA-N 1 1 421.520 2.799 20 30 HFEDMO C#CCNC(=O)C1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[N@H+](C)CCC)CC1 ZINC000805753058 1079231620 /nfs/dbraw/zinc/23/16/20/1079231620.db2.gz MTFBYRZBNSNHFD-FQEVSTJZSA-N 1 1 418.969 2.894 20 30 HFEDMO C#C[C@H](NC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)c1ccc(Cl)cc1F ZINC000805779581 1079249663 /nfs/dbraw/zinc/24/96/63/1079249663.db2.gz ZYTWIMYAAUWORW-IBGZPJMESA-N 1 1 422.932 2.739 20 30 HFEDMO C#C[C@H](NC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1)c1ccc(Cl)cc1F ZINC000805779581 1079249666 /nfs/dbraw/zinc/24/96/66/1079249666.db2.gz ZYTWIMYAAUWORW-IBGZPJMESA-N 1 1 422.932 2.739 20 30 HFEDMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000805764326 1079265143 /nfs/dbraw/zinc/26/51/43/1079265143.db2.gz CFTHIAQEVUPFKF-IBGZPJMESA-N 1 1 400.523 2.944 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC)c1ccncc1 ZINC000805808928 1079284741 /nfs/dbraw/zinc/28/47/41/1079284741.db2.gz KNBCYDDCDSSTOI-FGZHOGPDSA-N 1 1 421.545 2.723 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805805917 1079282316 /nfs/dbraw/zinc/28/23/16/1079282316.db2.gz GSZOQRHFOGAXQG-VXKWHMMOSA-N 1 1 406.530 2.938 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805808615 1079283674 /nfs/dbraw/zinc/28/36/74/1079283674.db2.gz VSNDSGJUVOZXMG-YADHBBJMSA-N 1 1 406.530 2.938 20 30 HFEDMO CCOCCC[N@H+]1CC[C@H](NCc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H](C)C1 ZINC000787303824 1076751610 /nfs/dbraw/zinc/75/16/10/1076751610.db2.gz MAUCLPBGZKAVFN-RLLQIKCJSA-N 1 1 421.545 2.950 20 30 HFEDMO C#CCN(C(=O)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1CCCC1 ZINC000787612516 1076878848 /nfs/dbraw/zinc/87/88/48/1076878848.db2.gz YUCJBDJHGWCCQD-FQEVSTJZSA-N 1 1 401.938 2.998 20 30 HFEDMO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC2)cn1 ZINC000791188649 1077318724 /nfs/dbraw/zinc/31/87/24/1077318724.db2.gz IQBFVZFXCYSIPQ-JOCHJYFZSA-N 1 1 407.493 2.796 20 30 HFEDMO N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC2)cn1 ZINC000791188649 1077318730 /nfs/dbraw/zinc/31/87/30/1077318730.db2.gz IQBFVZFXCYSIPQ-JOCHJYFZSA-N 1 1 407.493 2.796 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000788898652 1077344016 /nfs/dbraw/zinc/34/40/16/1077344016.db2.gz SWOPBLRWUWZBBT-TZIWHRDSSA-N 1 1 409.534 2.510 20 30 HFEDMO COc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccc(OC)c(C#N)c3)CC2)cc1 ZINC000746784359 1077383774 /nfs/dbraw/zinc/38/37/74/1077383774.db2.gz DXRBNZTXWQXTSD-UHFFFAOYSA-N 1 1 408.502 2.993 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000789068673 1077396344 /nfs/dbraw/zinc/39/63/44/1077396344.db2.gz YKJRCVQUOKIKLQ-REWPJTCUSA-N 1 1 423.561 2.585 20 30 HFEDMO N#Cc1ccccc1N1CCC(NC(=O)[C@@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001170155332 1077407833 /nfs/dbraw/zinc/40/78/33/1077407833.db2.gz NMQOPIOVZKFHDF-RUZDIDTESA-N 1 1 418.541 2.670 20 30 HFEDMO C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)n1 ZINC000789244223 1077469800 /nfs/dbraw/zinc/46/98/00/1077469800.db2.gz DCQMRUJTDUUFQL-OAQYLSRUSA-N 1 1 411.575 2.665 20 30 HFEDMO C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)n1 ZINC000789244223 1077469804 /nfs/dbraw/zinc/46/98/04/1077469804.db2.gz DCQMRUJTDUUFQL-OAQYLSRUSA-N 1 1 411.575 2.665 20 30 HFEDMO C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CCN(c2cnccn2)CC1 ZINC000789367122 1077540055 /nfs/dbraw/zinc/54/00/55/1077540055.db2.gz QMVCKERFWRVWCR-SFHVURJKSA-N 1 1 413.485 2.614 20 30 HFEDMO Cn1ccnc1[C@@H](O)[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000789739243 1077773388 /nfs/dbraw/zinc/77/33/88/1077773388.db2.gz JSDWKBRMBKYGNN-RXVVDRJESA-N 1 1 405.506 2.538 20 30 HFEDMO C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)NC(=O)OC(C)(C)C ZINC000792257337 1077783011 /nfs/dbraw/zinc/78/30/11/1077783011.db2.gz KJHWPRAEFGUZCL-KRWDZBQOSA-N 1 1 415.538 2.689 20 30 HFEDMO C=CC[C@]1(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790134647 1077953632 /nfs/dbraw/zinc/95/36/32/1077953632.db2.gz UCXKZKATFYFBLO-PGRDOPGGSA-N 1 1 407.555 2.655 20 30 HFEDMO C[NH+](C)Cc1cc(=O)n2c(n1)CN(C1CCC(C#N)(c3ccccc3)CC1)CCC2 ZINC001170381116 1077963595 /nfs/dbraw/zinc/96/35/95/1077963595.db2.gz HNQRLUQCWCXVHN-UHFFFAOYSA-N 1 1 405.546 2.915 20 30 HFEDMO C[NH+](C)CCNC(=O)c1noc2c1CN(C1CCC(C#N)(c3ccccc3)CC1)CC2 ZINC001170383150 1077964375 /nfs/dbraw/zinc/96/43/75/1077964375.db2.gz IAOFWILJSOLYOB-UHFFFAOYSA-N 1 1 421.545 2.728 20 30 HFEDMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1nc(C#N)c(C#N)nc1C ZINC001170522049 1080495436 /nfs/dbraw/zinc/49/54/36/1080495436.db2.gz VQDDQHCEAILQMM-UHFFFAOYSA-N 1 1 402.458 2.663 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000807466586 1080644324 /nfs/dbraw/zinc/64/43/24/1080644324.db2.gz XMYILWVVWIHWSW-NOZRDPDXSA-N 1 1 405.542 2.899 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000807469771 1080648825 /nfs/dbraw/zinc/64/88/25/1080648825.db2.gz LHAXOEWPNKUHCT-RBZQAINGSA-N 1 1 405.542 2.803 20 30 HFEDMO C#C[C@H](NC(=O)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1)C(C)(C)C ZINC000807536165 1080750851 /nfs/dbraw/zinc/75/08/51/1080750851.db2.gz KYKVNIVRZCGUNP-IBGZPJMESA-N 1 1 412.534 2.522 20 30 HFEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cnc1C#N)CC2 ZINC001164712683 720104795 /nfs/dbraw/zinc/10/47/95/720104795.db2.gz XXWBQTDSJZLZNA-KRWDZBQOSA-N 1 1 412.925 2.904 20 30 HFEDMO Cc1ncc(C#N)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757474 720883364 /nfs/dbraw/zinc/88/33/64/720883364.db2.gz VCUDZDOBLSRDLW-VWNXMTODSA-N 1 1 418.545 2.807 20 30 HFEDMO N#CCc1cncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164750957 720904241 /nfs/dbraw/zinc/90/42/41/720904241.db2.gz CGUOBQBHVQVUJM-ZJSXRUAMSA-N 1 1 418.545 2.693 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)cc4C#N)C[C@@H]3C2)cn1 ZINC001164770168 721173716 /nfs/dbraw/zinc/17/37/16/721173716.db2.gz NZYVDRCEAFFQJZ-ZBFHGGJFSA-N 1 1 406.868 2.843 20 30 HFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc4c(C#N)c[nH]c4n3)C2)C1 ZINC001164780803 721361521 /nfs/dbraw/zinc/36/15/21/721361521.db2.gz HREHPNDZWRFGNQ-QFIPXVFZSA-N 1 1 421.505 2.553 20 30 HFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc4c(C#N)c[nH]c4n3)C2)C1 ZINC001164780803 721361525 /nfs/dbraw/zinc/36/15/25/721361525.db2.gz HREHPNDZWRFGNQ-QFIPXVFZSA-N 1 1 421.505 2.553 20 30 HFEDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)c(F)cc4C#N)C3)O2)CC1 ZINC001164890946 721381615 /nfs/dbraw/zinc/38/16/15/721381615.db2.gz PMWPKTNMOZYTIS-OXJNMPFZSA-N 1 1 407.921 2.511 20 30 HFEDMO Cc1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1C#N ZINC001164885033 721384824 /nfs/dbraw/zinc/38/48/24/721384824.db2.gz BXEJHKVQYIDSBU-UTKZUKDTSA-N 1 1 403.958 2.681 20 30 HFEDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cc(C#N)c5ccccc5n4)C3)O2)CC1 ZINC001164893081 721434183 /nfs/dbraw/zinc/43/41/83/721434183.db2.gz IYMHOTLSOJLMOW-GBXCKJPGSA-N 1 1 405.546 2.872 20 30 HFEDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc(CC#N)cc4Cl)C3)O2)CC1 ZINC001164889579 721444200 /nfs/dbraw/zinc/44/42/00/721444200.db2.gz BVOGKBHACPPRSX-WIYYLYMNSA-N 1 1 403.958 2.566 20 30 HFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3ccc(C#N)cc32)[C@H]2CCCO[C@H]12 ZINC001164803103 721537071 /nfs/dbraw/zinc/53/70/71/721537071.db2.gz ICHCAQFKVDPDDI-BDTNDASRSA-N 1 1 400.486 2.765 20 30 HFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3ccc(C#N)cc32)[C@H]2CCCO[C@H]12 ZINC001164803103 721537075 /nfs/dbraw/zinc/53/70/75/721537075.db2.gz ICHCAQFKVDPDDI-BDTNDASRSA-N 1 1 400.486 2.765 20 30 HFEDMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cc(Cl)nc(C#N)c2)CC1 ZINC001165011106 721736859 /nfs/dbraw/zinc/73/68/59/721736859.db2.gz LKLYWYYPYHXRAJ-UHFFFAOYSA-N 1 1 411.884 2.675 20 30 HFEDMO N#Cc1ccc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164982749 722105648 /nfs/dbraw/zinc/10/56/48/722105648.db2.gz ONMFLMKXRFRKSI-DENIHFKCSA-N 1 1 400.486 2.624 20 30 HFEDMO C=CC[C@@]1(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000790629494 1078067781 /nfs/dbraw/zinc/06/77/81/1078067781.db2.gz OJNGRSZUSUKTDM-MBSDFSHPSA-N 1 1 420.598 2.617 20 30 HFEDMO C=CC[C@@]1(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000790629494 1078067786 /nfs/dbraw/zinc/06/77/86/1078067786.db2.gz OJNGRSZUSUKTDM-MBSDFSHPSA-N 1 1 420.598 2.617 20 30 HFEDMO C=CC[C@]1(C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790634117 1078069615 /nfs/dbraw/zinc/06/96/15/1078069615.db2.gz RAQDBWDFSZBYFP-WMZHIEFXSA-N 1 1 422.614 2.722 20 30 HFEDMO C#CCNc1nc(NCCc2cccc(C)n2)nc(NCCc2cccc(C)n2)[nH+]1 ZINC000804678551 1078514906 /nfs/dbraw/zinc/51/49/06/1078514906.db2.gz JEJHDCLEMDKGNL-UHFFFAOYSA-N 1 1 402.506 2.633 20 30 HFEDMO C#CC[C@@H](Cc1ccccc1)NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000805031572 1078843802 /nfs/dbraw/zinc/84/38/02/1078843802.db2.gz JZTYJBBCRKHMEN-QFIPXVFZSA-N 1 1 405.546 2.528 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805805797 1079281880 /nfs/dbraw/zinc/28/18/80/1079281880.db2.gz FFRSUBIEROAAGZ-ZJSXRUAMSA-N 1 1 406.530 2.843 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC000805806139 1079282232 /nfs/dbraw/zinc/28/22/32/1079282232.db2.gz IZQXAPKFGOQVFH-SIKLNZKXSA-N 1 1 406.530 2.938 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1)c1ccncc1 ZINC000805806959 1079283140 /nfs/dbraw/zinc/28/31/40/1079283140.db2.gz XLNNNYYYKGDXOZ-VXKWHMMOSA-N 1 1 406.530 2.938 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1)c1ccncc1 ZINC000805806959 1079283142 /nfs/dbraw/zinc/28/31/42/1079283142.db2.gz XLNNNYYYKGDXOZ-VXKWHMMOSA-N 1 1 406.530 2.938 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000805808623 1079283652 /nfs/dbraw/zinc/28/36/52/1079283652.db2.gz HXPMQCXSOACECQ-KNQAVFIVSA-N 1 1 406.530 2.938 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000805815714 1079288254 /nfs/dbraw/zinc/28/82/54/1079288254.db2.gz UKYZXMHUWUQRKD-LEWJYISDSA-N 1 1 424.570 2.549 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000805815714 1079288257 /nfs/dbraw/zinc/28/82/57/1079288257.db2.gz UKYZXMHUWUQRKD-LEWJYISDSA-N 1 1 424.570 2.549 20 30 HFEDMO CC[NH+]1CCN(C(=O)c2ccc(NC(=O)NCc3ccc(OC)c(C#N)c3)cc2)CC1 ZINC000747275516 1079330630 /nfs/dbraw/zinc/33/06/30/1079330630.db2.gz OJNVSTDFSKNNDZ-UHFFFAOYSA-N 1 1 421.501 2.666 20 30 HFEDMO COc1cc([N+](=O)[O-])ccc1N=NC(C)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000746681999 1076815061 /nfs/dbraw/zinc/81/50/61/1076815061.db2.gz OYIMZTCVDICQBK-UHFFFAOYSA-N 1 1 400.435 2.977 20 30 HFEDMO Cc1c(C(=O)NCCC#N)nnn1-c1cccc2c1CC[N@H+](Cc1ccccc1F)C2 ZINC000787619948 1076881179 /nfs/dbraw/zinc/88/11/79/1076881179.db2.gz MLENUWSWRDSARQ-UHFFFAOYSA-N 1 1 418.476 2.917 20 30 HFEDMO Cc1c(C(=O)NCCC#N)nnn1-c1cccc2c1CC[N@@H+](Cc1ccccc1F)C2 ZINC000787619948 1076881188 /nfs/dbraw/zinc/88/11/88/1076881188.db2.gz MLENUWSWRDSARQ-UHFFFAOYSA-N 1 1 418.476 2.917 20 30 HFEDMO Cc1cc(CN=Nc2nnc(-c3ccccn3)s2)c(C)n1CC[NH+]1CCOCC1 ZINC000788026905 1077034507 /nfs/dbraw/zinc/03/45/07/1077034507.db2.gz HGPIGQQQHGPFSE-UHFFFAOYSA-N 1 1 411.535 2.797 20 30 HFEDMO COc1ccc(CNC(=O)N[C@H](C)C[NH+]2CCN(c3ccccc3)CC2)cc1C#N ZINC000746731586 1077072672 /nfs/dbraw/zinc/07/26/72/1077072672.db2.gz SALJDEUNGVRXPC-GOSISDBHSA-N 1 1 407.518 2.577 20 30 HFEDMO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000788275537 1077095512 /nfs/dbraw/zinc/09/55/12/1077095512.db2.gz NLWOVYORNWFICO-RTWAWAEBSA-N 1 1 413.562 2.974 20 30 HFEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CCC[C@H](N2CCCS2(=O)=O)C1 ZINC000788388238 1077139597 /nfs/dbraw/zinc/13/95/97/1077139597.db2.gz QUAYGDISDMJBAM-INIZCTEOSA-N 1 1 406.577 2.772 20 30 HFEDMO C=CCC1(C(=O)O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCC1 ZINC000791560981 1077479634 /nfs/dbraw/zinc/47/96/34/1077479634.db2.gz SAPOCMFBQFESPY-SFHVURJKSA-N 1 1 400.519 2.813 20 30 HFEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000746813020 1077573974 /nfs/dbraw/zinc/57/39/74/1077573974.db2.gz XLDZBXYAJRBPEP-KRWDZBQOSA-N 1 1 411.477 2.803 20 30 HFEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000746813021 1077574006 /nfs/dbraw/zinc/57/40/06/1077574006.db2.gz XLDZBXYAJRBPEP-QGZVFWFLSA-N 1 1 411.477 2.803 20 30 HFEDMO COc1cccc(C2=NO[C@H](C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)C2)c1 ZINC000792032855 1077685648 /nfs/dbraw/zinc/68/56/48/1077685648.db2.gz DLPMVTYAWJKVPX-QHCPKHFHSA-N 1 1 418.497 2.794 20 30 HFEDMO COc1cccc(C2=NO[C@H](C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)C2)c1 ZINC000792032855 1077685651 /nfs/dbraw/zinc/68/56/51/1077685651.db2.gz DLPMVTYAWJKVPX-QHCPKHFHSA-N 1 1 418.497 2.794 20 30 HFEDMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 ZINC000792047315 1077692881 /nfs/dbraw/zinc/69/28/81/1077692881.db2.gz OZDYXNJSFQVTKC-UHFFFAOYSA-N 1 1 412.534 2.992 20 30 HFEDMO CCn1cc([C@@H](O)C[N@H+](CC(=O)NC2(C#N)CCCCC2)Cc2ccccc2)cn1 ZINC000792377180 1077843541 /nfs/dbraw/zinc/84/35/41/1077843541.db2.gz RBKVCJFHRYAVHK-NRFANRHFSA-N 1 1 409.534 2.781 20 30 HFEDMO CCn1cc([C@@H](O)C[N@@H+](CC(=O)NC2(C#N)CCCCC2)Cc2ccccc2)cn1 ZINC000792377180 1077843548 /nfs/dbraw/zinc/84/35/48/1077843548.db2.gz RBKVCJFHRYAVHK-NRFANRHFSA-N 1 1 409.534 2.781 20 30 HFEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@@H](N3CCOCC3)CC1)CCC2 ZINC001170216042 1077909320 /nfs/dbraw/zinc/90/93/20/1077909320.db2.gz HDCSLGZBMWUAER-MRXNPFEDSA-N 1 1 402.564 2.624 20 30 HFEDMO C=CC[C@@]1(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CCCN1C(=O)OC(C)(C)C ZINC000790249053 1077976955 /nfs/dbraw/zinc/97/69/55/1077976955.db2.gz AOFCAIQNJNIKPK-GCJKJVERSA-N 1 1 409.571 2.805 20 30 HFEDMO CC(C)C[NH+]1CCN(C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000807249866 1080407371 /nfs/dbraw/zinc/40/73/71/1080407371.db2.gz KEZJXZXNQXOIRJ-UHFFFAOYSA-N 1 1 410.543 2.703 20 30 HFEDMO C#C[C@H](NC(=O)C(=O)Nc1cc(C)nn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000807536780 1080752263 /nfs/dbraw/zinc/75/22/63/1080752263.db2.gz ZVVJRVALLXEMRS-PMACEKPBSA-N 1 1 421.545 2.741 20 30 HFEDMO C#C[C@H](NC(=O)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000807536781 1080752416 /nfs/dbraw/zinc/75/24/16/1080752416.db2.gz ZVVJRVALLXEMRS-UXHICEINSA-N 1 1 421.545 2.741 20 30 HFEDMO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000807543096 1080758654 /nfs/dbraw/zinc/75/86/54/1080758654.db2.gz BCOBMXNIZRCVOJ-ZIFCJYIRSA-N 1 1 406.486 2.695 20 30 HFEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000807544710 1080761787 /nfs/dbraw/zinc/76/17/87/1080761787.db2.gz ZGTMKNVSEYBFHF-APWZRJJASA-N 1 1 409.461 2.555 20 30 HFEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nccc(OC)c1C#N)CC2 ZINC001164717361 720110385 /nfs/dbraw/zinc/11/03/85/720110385.db2.gz NQEUYQDBHYGYMD-LJQANCHMSA-N 1 1 407.518 2.864 20 30 HFEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(C#N)c[nH]c3n1)CC2 ZINC001164712664 720131996 /nfs/dbraw/zinc/13/19/96/720131996.db2.gz OAKVEFDBUOZEFU-LJQANCHMSA-N 1 1 417.517 2.732 20 30 HFEDMO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164733423 720463687 /nfs/dbraw/zinc/46/36/87/720463687.db2.gz PLCKWQYTZREYBM-QRVBRYPASA-N 1 1 420.517 2.674 20 30 HFEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc4c(cc3C#N)COCC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837761 720629940 /nfs/dbraw/zinc/62/99/40/720629940.db2.gz JHHYXLXFVIRILT-RCZSKKKRSA-N 1 1 406.534 2.600 20 30 HFEDMO Cc1cnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164746836 720741906 /nfs/dbraw/zinc/74/19/06/720741906.db2.gz YUORESNZHKTFIQ-PMACEKPBSA-N 1 1 407.594 2.751 20 30 HFEDMO N#Cc1cc(F)c(Cl)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741719 720810570 /nfs/dbraw/zinc/81/05/70/720810570.db2.gz BQBGQFZYOINXTI-SOLBZPMBSA-N 1 1 415.904 2.717 20 30 HFEDMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc([C@@H](C#N)c4ccc(C)cc4)nn3)CC[C@H]2C1 ZINC001164854784 720836717 /nfs/dbraw/zinc/83/67/17/720836717.db2.gz SHMPPQQGLSPNJW-QNWVGRARSA-N 1 1 421.545 2.614 20 30 HFEDMO N#Cc1cc(C(F)(F)N2CCc3[nH+]cc(Cn4cccn4)n3CC2)cnc1Cl ZINC001164863336 721032304 /nfs/dbraw/zinc/03/23/04/721032304.db2.gz RRODDPCDEIOPAQ-UHFFFAOYSA-N 1 1 403.824 2.656 20 30 HFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)cc3C#N)C2)C1 ZINC001164779101 721341454 /nfs/dbraw/zinc/34/14/54/721341454.db2.gz QXIAKNZHXZKJID-HXUWFJFHSA-N 1 1 416.913 2.726 20 30 HFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nnc(Cl)cc3C#N)C2)C1 ZINC001164779101 721341455 /nfs/dbraw/zinc/34/14/55/721341455.db2.gz QXIAKNZHXZKJID-HXUWFJFHSA-N 1 1 416.913 2.726 20 30 HFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C)cc3C=NO)C2)C1 ZINC001164783075 721362284 /nfs/dbraw/zinc/36/22/84/721362284.db2.gz PDNMFDQNVIXZJC-QFIPXVFZSA-N 1 1 413.522 2.922 20 30 HFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C)cc3C=NO)C2)C1 ZINC001164783075 721362288 /nfs/dbraw/zinc/36/22/88/721362288.db2.gz PDNMFDQNVIXZJC-QFIPXVFZSA-N 1 1 413.522 2.922 20 30 HFEDMO Cc1nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c(C#N)c(C)c1Cl ZINC001164884364 721385225 /nfs/dbraw/zinc/38/52/25/721385225.db2.gz AKRGWHJCWXSGMI-XMSQKQJNSA-N 1 1 417.985 2.989 20 30 HFEDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(C#N)c5ccccc5n4)C3)O2)CC1 ZINC001164893083 721434072 /nfs/dbraw/zinc/43/40/72/721434072.db2.gz IYMHOTLSOJLMOW-HYBUGGRVSA-N 1 1 405.546 2.872 20 30 HFEDMO Cc1nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c(Cl)cc1C#N ZINC001164885338 721451272 /nfs/dbraw/zinc/45/12/72/721451272.db2.gz DFBVQJOPKLEWRE-NQIIRXRSSA-N 1 1 403.958 2.681 20 30 HFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(F)cc1C#N)CC2 ZINC001164790161 721453288 /nfs/dbraw/zinc/45/32/88/721453288.db2.gz XBSOAALHYZPKJH-HXUWFJFHSA-N 1 1 402.514 2.826 20 30 HFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc(Cl)c1C#N)CC2 ZINC001164789415 721453735 /nfs/dbraw/zinc/45/37/35/721453735.db2.gz VPAKVOFTIZQZPQ-QGZVFWFLSA-N 1 1 419.957 2.736 20 30 HFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(F)c1C#N)CC2 ZINC001164784670 721461938 /nfs/dbraw/zinc/46/19/38/721461938.db2.gz JIKCICACNNULNS-SFHVURJKSA-N 1 1 402.514 2.826 20 30 HFEDMO N#Cc1c[nH]c2nc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ncc12 ZINC001164906230 721718169 /nfs/dbraw/zinc/71/81/69/721718169.db2.gz LJZTXFUHQKXBKQ-HXUWFJFHSA-N 1 1 409.444 2.962 20 30 HFEDMO CCc1nc(C#N)c(C#N)nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164912259 721733851 /nfs/dbraw/zinc/73/38/51/721733851.db2.gz NLDZZZCXKHJZGK-OAQYLSRUSA-N 1 1 423.471 2.915 20 30 HFEDMO C=CC[NH+]1CCN(c2ncc3c(n2)N([C@@H]2CCC(F)(F)C2)[C@@H](CC)C(=O)N3C)CC1 ZINC001165032266 721869621 /nfs/dbraw/zinc/86/96/21/721869621.db2.gz MYBCGRMXDXJFMN-CVEARBPZSA-N 1 1 420.508 2.534 20 30 HFEDMO Cc1ccc([C@H](C)NC(=O)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000793860871 1078326132 /nfs/dbraw/zinc/32/61/32/1078326132.db2.gz YEUSIWRONYSJFO-KRWDZBQOSA-N 1 1 410.543 2.840 20 30 HFEDMO Cc1ccc([C@H](C)NC(=O)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000793860871 1078326136 /nfs/dbraw/zinc/32/61/36/1078326136.db2.gz YEUSIWRONYSJFO-KRWDZBQOSA-N 1 1 410.543 2.840 20 30 HFEDMO C=C(C)CN(Cc1ccc(CO)o1)C(=O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000804465287 1078528311 /nfs/dbraw/zinc/52/83/11/1078528311.db2.gz IVAHCWGZEXCGSK-UHFFFAOYSA-N 1 1 421.538 2.666 20 30 HFEDMO C[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[C@H](Cc2ccccc2)C1 ZINC001130550591 1079487343 /nfs/dbraw/zinc/48/73/43/1079487343.db2.gz QUTVBJYYUHUNAC-NHCUHLMSSA-N 1 1 406.505 2.909 20 30 HFEDMO C[N@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)[C@H](Cc2ccccc2)C1 ZINC001130550591 1079487346 /nfs/dbraw/zinc/48/73/46/1079487346.db2.gz QUTVBJYYUHUNAC-NHCUHLMSSA-N 1 1 406.505 2.909 20 30 HFEDMO C[N@@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)[C@@H](Cc2ccccc2)C1 ZINC001130550598 1079487391 /nfs/dbraw/zinc/48/73/91/1079487391.db2.gz QUTVBJYYUHUNAC-SFTDATJTSA-N 1 1 406.505 2.909 20 30 HFEDMO C[N@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)[C@@H](Cc2ccccc2)C1 ZINC001130550598 1079487397 /nfs/dbraw/zinc/48/73/97/1079487397.db2.gz QUTVBJYYUHUNAC-SFTDATJTSA-N 1 1 406.505 2.909 20 30 HFEDMO CCOCCC[N@H+]1CC[C@H](NCc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H](C)C1 ZINC000787303827 1076751541 /nfs/dbraw/zinc/75/15/41/1076751541.db2.gz MAUCLPBGZKAVFN-SXLOBPIMSA-N 1 1 421.545 2.950 20 30 HFEDMO C#CCN(C(=O)C(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)C1CCCC1 ZINC000787753564 1076927980 /nfs/dbraw/zinc/92/79/80/1076927980.db2.gz YZOHZXKUFSNOJT-QFIPXVFZSA-N 1 1 409.574 2.980 20 30 HFEDMO CC(N=Nc1nnc(-c2ccccn2)s1)c1ccc(O)c(C[NH+]2CCOCC2)c1 ZINC000788028453 1077034910 /nfs/dbraw/zinc/03/49/10/1077034910.db2.gz XVHDVKGCBJRUPJ-UHFFFAOYSA-N 1 1 410.503 2.974 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000788898649 1077344102 /nfs/dbraw/zinc/34/41/02/1077344102.db2.gz SWOPBLRWUWZBBT-PZJWPPBQSA-N 1 1 409.534 2.510 20 30 HFEDMO C[C@@H]1CC[C@@H]([N@@H+](CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)C1 ZINC001170159224 1077537027 /nfs/dbraw/zinc/53/70/27/1077537027.db2.gz RRHVUQPJZVPFAV-HCXYKTFWSA-N 1 1 406.546 2.731 20 30 HFEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746807653 1077565628 /nfs/dbraw/zinc/56/56/28/1077565628.db2.gz PPGHMBXWNRMQSN-HXUWFJFHSA-N 1 1 423.488 2.899 20 30 HFEDMO COc1cccc(C2=NO[C@@H](C(=O)N3CCC[N@H+](Cc4ccc(C#N)cc4)CC3)C2)c1 ZINC000792032854 1077685551 /nfs/dbraw/zinc/68/55/51/1077685551.db2.gz DLPMVTYAWJKVPX-HSZRJFAPSA-N 1 1 418.497 2.794 20 30 HFEDMO COc1cccc(C2=NO[C@@H](C(=O)N3CCC[N@@H+](Cc4ccc(C#N)cc4)CC3)C2)c1 ZINC000792032854 1077685554 /nfs/dbraw/zinc/68/55/54/1077685554.db2.gz DLPMVTYAWJKVPX-HSZRJFAPSA-N 1 1 418.497 2.794 20 30 HFEDMO CCOC(=O)c1ccc(OC(=O)CCCCCNC(=[NH2+])Nc2nnccc2C#N)cc1 ZINC001170269250 1077923275 /nfs/dbraw/zinc/92/32/75/1077923275.db2.gz GFRZUMISKRBMJC-UHFFFAOYSA-N 1 1 424.461 2.627 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000790105394 1077950804 /nfs/dbraw/zinc/95/08/04/1077950804.db2.gz HEQQIQFXBRPIJV-HXUWFJFHSA-N 1 1 412.509 2.543 20 30 HFEDMO CN(C)C(=O)NC[C@H]1OC[C@@H]2CC[N@H+](C3CCC(C#N)(c4ccccc4)CC3)C[C@@H]21 ZINC001170383102 1077964380 /nfs/dbraw/zinc/96/43/80/1077964380.db2.gz HWMJLCVURYVBQK-WDOMSKHVSA-N 1 1 410.562 2.999 20 30 HFEDMO C[C@H]1C[C@H](NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[N@H+]1C1CC1 ZINC000807249941 1080407433 /nfs/dbraw/zinc/40/74/33/1080407433.db2.gz MKDBMSGAOVWQCM-YOEHRIQHSA-N 1 1 408.527 2.644 20 30 HFEDMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1ncc(C#N)cc1[N+](=O)[O-] ZINC001170522051 1080495554 /nfs/dbraw/zinc/49/55/54/1080495554.db2.gz VSZWCAOLNPHOID-UHFFFAOYSA-N 1 1 407.430 2.996 20 30 HFEDMO C#CCOc1ccc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000807355735 1080517693 /nfs/dbraw/zinc/51/76/93/1080517693.db2.gz XVUGJGUSVMDYIZ-VWLOTQADSA-N 1 1 417.509 2.762 20 30 HFEDMO C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000807466587 1080644394 /nfs/dbraw/zinc/64/43/94/1080644394.db2.gz XMYILWVVWIHWSW-UKILVPOCSA-N 1 1 405.542 2.899 20 30 HFEDMO C#C[C@H](NC(=O)C(=O)Nc1c(C)cnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000807535931 1080751364 /nfs/dbraw/zinc/75/13/64/1080751364.db2.gz GUTDUKLTVVDKPP-PMACEKPBSA-N 1 1 421.545 2.741 20 30 HFEDMO N#Cc1nc(Cl)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc1C#N ZINC001164696729 719892596 /nfs/dbraw/zinc/89/25/96/719892596.db2.gz IEOOIRJXGPLBRX-UHFFFAOYSA-N 1 1 414.922 2.806 20 30 HFEDMO N#Cc1nc(Cl)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc1C#N ZINC001164696729 719892597 /nfs/dbraw/zinc/89/25/97/719892597.db2.gz IEOOIRJXGPLBRX-UHFFFAOYSA-N 1 1 414.922 2.806 20 30 HFEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(C3(C#N)CCOCC3)cn1)C2 ZINC001164816240 720156157 /nfs/dbraw/zinc/15/61/57/720156157.db2.gz KGWLVMNJVAKHGH-ZJSXRUAMSA-N 1 1 410.562 2.838 20 30 HFEDMO Cc1nc(CN2CCN(C)C3(CCN(c4[nH+]c(C)ccc4CC#N)CC3)C2=O)cs1 ZINC001164821167 720381799 /nfs/dbraw/zinc/38/17/99/720381799.db2.gz YTCSGEXJAMUZOS-UHFFFAOYSA-N 1 1 424.574 2.534 20 30 HFEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc4c(cc3C#N)COCC4)CC[C@@H]21 ZINC001164837762 720629410 /nfs/dbraw/zinc/62/94/10/720629410.db2.gz JHHYXLXFVIRILT-VCOUNFBDSA-N 1 1 406.534 2.600 20 30 HFEDMO N#Cc1cc(F)c(Cl)nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741694 720810542 /nfs/dbraw/zinc/81/05/42/720810542.db2.gz BQBGQFZYOINXTI-JFIYKMOQSA-N 1 1 415.904 2.717 20 30 HFEDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(F)cc4)ccc3C#N)CC[C@H]2C1 ZINC001164852985 720835826 /nfs/dbraw/zinc/83/58/26/720835826.db2.gz MVFBQHSUKWBFNW-SIKLNZKXSA-N 1 1 410.493 2.933 20 30 HFEDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc4ccccc4c(Cl)c3C#N)CC[C@@H]2C1 ZINC001164864450 720873762 /nfs/dbraw/zinc/87/37/62/720873762.db2.gz VUESBOHPDLNBJR-DNVCBOLYSA-N 1 1 400.910 2.933 20 30 HFEDMO Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C#N)n1 ZINC001164753480 720893962 /nfs/dbraw/zinc/89/39/62/720893962.db2.gz HBLRZPDLWHEBBW-QPPBQGQZSA-N 1 1 418.545 2.807 20 30 HFEDMO Cc1nc(C#N)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754242 720935878 /nfs/dbraw/zinc/93/58/78/720935878.db2.gz VFDYTRXBBWITKZ-QPPBQGQZSA-N 1 1 418.545 2.807 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)ncc4C#N)C[C@@H]3C2)cn1 ZINC001164771777 721141203 /nfs/dbraw/zinc/14/12/03/721141203.db2.gz TVQDTOJGGPFQGO-ZBFHGGJFSA-N 1 1 406.868 2.843 20 30 HFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(OC)c1C#N)CC2 ZINC001164786907 721457341 /nfs/dbraw/zinc/45/73/41/721457341.db2.gz QMLIYAOEMBWVDM-IBGZPJMESA-N 1 1 414.550 2.696 20 30 HFEDMO C=CCc1cc(CN2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc(OC)c1O ZINC000793603807 1078222143 /nfs/dbraw/zinc/22/21/43/1078222143.db2.gz LTXWLODGMQGSHK-GOSISDBHSA-N 1 1 405.539 2.770 20 30 HFEDMO C=CCc1cc(CN2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc(OC)c1O ZINC000793603807 1078222145 /nfs/dbraw/zinc/22/21/45/1078222145.db2.gz LTXWLODGMQGSHK-GOSISDBHSA-N 1 1 405.539 2.770 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000793843327 1078312316 /nfs/dbraw/zinc/31/23/16/1078312316.db2.gz UCCOSTBCPPGXLZ-IRLDBZIGSA-N 1 1 406.530 2.843 20 30 HFEDMO Cc1cc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000794035487 1078370690 /nfs/dbraw/zinc/37/06/90/1078370690.db2.gz ZNKJSPQSFCSDPL-UHFFFAOYSA-N 1 1 413.547 2.901 20 30 HFEDMO CON=Cc1ccc(C(=O)N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000804446492 1078513846 /nfs/dbraw/zinc/51/38/46/1078513846.db2.gz IMFPTFDRPZEVEM-HSZRJFAPSA-N 1 1 406.530 2.699 20 30 HFEDMO CC(C)(C)Nc1nc(NCc2ccc(C#N)cn2)nc(NCc2ccc(C#N)cn2)[nH+]1 ZINC000804630971 1078686360 /nfs/dbraw/zinc/68/63/60/1078686360.db2.gz KKBFHKPNCAQGPH-UHFFFAOYSA-N 1 1 414.477 2.840 20 30 HFEDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@H+](CC(=O)NCc1cccc(C#N)c1)C2 ZINC000805794128 1079259325 /nfs/dbraw/zinc/25/93/25/1079259325.db2.gz PDYAXZJISFIFOK-HSZRJFAPSA-N 1 1 412.534 2.897 20 30 HFEDMO CC(C)(C)OC(=O)N1CC[C@]2(C1)CCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)C2 ZINC000805794128 1079259329 /nfs/dbraw/zinc/25/93/29/1079259329.db2.gz PDYAXZJISFIFOK-HSZRJFAPSA-N 1 1 412.534 2.897 20 30 HFEDMO CC(C)(C)OC(=O)NCC[C@@H]1CCCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000805765184 1079266070 /nfs/dbraw/zinc/26/60/70/1079266070.db2.gz KLBOLTGZDRRXPS-IBGZPJMESA-N 1 1 400.523 2.944 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000805808621 1079283810 /nfs/dbraw/zinc/28/38/10/1079283810.db2.gz HXPMQCXSOACECQ-DENIHFKCSA-N 1 1 406.530 2.938 20 30 HFEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787478412 1076838233 /nfs/dbraw/zinc/83/82/33/1076838233.db2.gz OFOBMDOUAXZDNH-UHFFFAOYSA-N 1 1 416.485 2.502 20 30 HFEDMO C#CCC1(C(=O)Nc2ccc(N(C)C(=O)CN3CC[NH+](C)CC3)cc2)CCCCC1 ZINC000788210257 1077080077 /nfs/dbraw/zinc/08/00/77/1077080077.db2.gz WQELYUCVUDWODE-UHFFFAOYSA-N 1 1 410.562 2.809 20 30 HFEDMO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000788275535 1077095413 /nfs/dbraw/zinc/09/54/13/1077095413.db2.gz NLWOVYORNWFICO-LEWJYISDSA-N 1 1 413.562 2.974 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)n1 ZINC000788997909 1077377115 /nfs/dbraw/zinc/37/71/15/1077377115.db2.gz RYQHQQHXUFZUNC-IBGZPJMESA-N 1 1 403.571 2.575 20 30 HFEDMO C=CCC1(C(=O)O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)CCC1 ZINC000791560979 1077479608 /nfs/dbraw/zinc/47/96/08/1077479608.db2.gz SAPOCMFBQFESPY-GOSISDBHSA-N 1 1 400.519 2.813 20 30 HFEDMO Cc1nc(Cl)ccc1NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000789380010 1077547536 /nfs/dbraw/zinc/54/75/36/1077547536.db2.gz VOQKGJOFURTJCP-UHFFFAOYSA-N 1 1 411.893 2.588 20 30 HFEDMO Cc1nc(Cl)ccc1NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000789380010 1077547540 /nfs/dbraw/zinc/54/75/40/1077547540.db2.gz VOQKGJOFURTJCP-UHFFFAOYSA-N 1 1 411.893 2.588 20 30 HFEDMO C#CCOc1ccc(NC(=O)C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000746807266 1077563608 /nfs/dbraw/zinc/56/36/08/1077563608.db2.gz OJTUGNUOEBISCL-OAQYLSRUSA-N 1 1 405.498 2.760 20 30 HFEDMO C=CCOc1ccccc1CNC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792163980 1077731968 /nfs/dbraw/zinc/73/19/68/1077731968.db2.gz DCZJOBIROJLOBY-UHFFFAOYSA-N 1 1 403.523 2.810 20 30 HFEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792406095 1077838368 /nfs/dbraw/zinc/83/83/68/1077838368.db2.gz RSZFSBFTHQZXSD-YSIASYRMSA-N 1 1 418.497 2.506 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000790104672 1077950339 /nfs/dbraw/zinc/95/03/39/1077950339.db2.gz JFPBNHXDRVXSRD-JOCHJYFZSA-N 1 1 412.509 2.685 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000790104672 1077950341 /nfs/dbraw/zinc/95/03/41/1077950341.db2.gz JFPBNHXDRVXSRD-JOCHJYFZSA-N 1 1 412.509 2.685 20 30 HFEDMO CNC(=O)CN1C(=O)CC[C@@]12CCC[N@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170384447 1077956254 /nfs/dbraw/zinc/95/62/54/1077956254.db2.gz YBOIHQHKYPIMJR-VZYOYLOZSA-N 1 1 408.546 2.594 20 30 HFEDMO C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCCC[NH+]2CCN(C)CC2)cc1 ZINC001130742375 1080006320 /nfs/dbraw/zinc/00/63/20/1080006320.db2.gz UKAHNFMYWWCBLX-IBGZPJMESA-N 1 1 422.529 2.981 20 30 HFEDMO C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000807355149 1080516427 /nfs/dbraw/zinc/51/64/27/1080516427.db2.gz NOBVWIRRKVOFSA-RUZDIDTESA-N 1 1 417.509 2.762 20 30 HFEDMO N#Cc1ccc(C[NH+]2CCC(NC(=O)C3CCOCC3)CC2)c(Br)c1 ZINC001137638261 1080569858 /nfs/dbraw/zinc/56/98/58/1080569858.db2.gz ZUTKNLQRVAQMCA-UHFFFAOYSA-N 1 1 406.324 2.828 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000807465236 1080642389 /nfs/dbraw/zinc/64/23/89/1080642389.db2.gz GWAHEPQWCVFLEU-SMIHKQSGSA-N 1 1 405.542 2.803 20 30 HFEDMO C#C[C@@H](NC(=O)C(=O)Nc1cc(C)nn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000807536783 1080752187 /nfs/dbraw/zinc/75/21/87/1080752187.db2.gz ZVVJRVALLXEMRS-WOJBJXKFSA-N 1 1 421.545 2.741 20 30 HFEDMO CCOC(=O)c1cc(C)nc(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)c1C#N ZINC001164646045 719309441 /nfs/dbraw/zinc/30/94/41/719309441.db2.gz AVSPDYIQHNLDBC-UHFFFAOYSA-N 1 1 410.522 2.840 20 30 HFEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(Cl)nc1C#N)CC2 ZINC001164710699 720102937 /nfs/dbraw/zinc/10/29/37/720102937.db2.gz LEKIAIGZRXFXDG-QGZVFWFLSA-N 1 1 412.925 2.904 20 30 HFEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C#N)cc1C#N)CC2 ZINC001164717409 720107903 /nfs/dbraw/zinc/10/79/03/720107903.db2.gz OPGLDJKTWPSTKU-NRFANRHFSA-N 1 1 402.502 2.727 20 30 HFEDMO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[C@H]2[C@@H]1CC[N@H+]2Cc1cccnc1 ZINC001164733426 720465071 /nfs/dbraw/zinc/46/50/71/720465071.db2.gz PLCKWQYTZREYBM-QYZOEREBSA-N 1 1 420.517 2.674 20 30 HFEDMO N#Cc1cc2c(nc1N1CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C1)CCCC2 ZINC001164742512 720846728 /nfs/dbraw/zinc/84/67/28/720846728.db2.gz HEGWTXOJIZEJBD-QNWVGRARSA-N 1 1 417.561 2.803 20 30 HFEDMO Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cnc1C#N ZINC001164756261 720902278 /nfs/dbraw/zinc/90/22/78/720902278.db2.gz OWYDKFJPUFDCTL-XUZZJYLKSA-N 1 1 418.545 2.807 20 30 HFEDMO Cc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C#N)n1 ZINC001164752096 720905318 /nfs/dbraw/zinc/90/53/18/720905318.db2.gz NCYVYRHSBOIQAL-XUZZJYLKSA-N 1 1 418.545 2.807 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc(C#N)c(Cl)n4)C[C@H]3C2)cn1 ZINC001164762202 721078909 /nfs/dbraw/zinc/07/89/09/721078909.db2.gz CYVXSWJCZNSXLV-JKSUJKDBSA-N 1 1 406.868 2.843 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc(Cl)nc4C#N)C[C@H]3C2)cn1 ZINC001164763445 721107140 /nfs/dbraw/zinc/10/71/40/721107140.db2.gz FYDSHOHOUVACNF-LSDHHAIUSA-N 1 1 406.868 2.843 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc(C#N)c4)C[C@H]3C2)cn1 ZINC001164773268 721126341 /nfs/dbraw/zinc/12/63/41/721126341.db2.gz XQDQMMLRGYVANP-HUUCEWRRSA-N 1 1 406.868 2.843 20 30 HFEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164791595 721402309 /nfs/dbraw/zinc/40/23/09/721402309.db2.gz ZNSRMLQPSDUGBU-ZIAGYGMSSA-N 1 1 417.922 2.808 20 30 HFEDMO N#Cc1ccc([N+](=O)[O-])c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906201 721702700 /nfs/dbraw/zinc/70/27/00/721702700.db2.gz KWYLLUXPZBNWIE-IBGZPJMESA-N 1 1 414.416 2.994 20 30 HFEDMO COC(=O)c1cc(C#N)cnc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165030164 721829204 /nfs/dbraw/zinc/82/92/04/721829204.db2.gz YDIDZNGZJIWWMQ-IOMROCGXSA-N 1 1 405.502 2.872 20 30 HFEDMO CCc1nc(C#N)c(C#N)nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165022310 721829690 /nfs/dbraw/zinc/82/96/90/721829690.db2.gz GVIJSUSBWIDJMK-ZJBJCVSYSA-N 1 1 401.518 2.914 20 30 HFEDMO CCc1nc(C#N)c(C#N)nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165022267 721829725 /nfs/dbraw/zinc/82/97/25/721829725.db2.gz GVIJSUSBWIDJMK-AQOAWAETSA-N 1 1 401.518 2.914 20 30 HFEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000790552119 1078054340 /nfs/dbraw/zinc/05/43/40/1078054340.db2.gz ULDMWUYVOJFTHZ-HNAYVOBHSA-N 1 1 408.329 2.680 20 30 HFEDMO C=CCn1c(CCN2CCCCC2)nn(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1=S ZINC000793765732 1078282851 /nfs/dbraw/zinc/28/28/51/1078282851.db2.gz JMLJLUOVYBWFGV-OAQYLSRUSA-N 1 1 404.628 2.614 20 30 HFEDMO C=CCn1c(CCN2CCCCC2)nn(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1=S ZINC000793765732 1078282856 /nfs/dbraw/zinc/28/28/56/1078282856.db2.gz JMLJLUOVYBWFGV-OAQYLSRUSA-N 1 1 404.628 2.614 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccncc1 ZINC000793899765 1078332897 /nfs/dbraw/zinc/33/28/97/1078332897.db2.gz RHJWJUSWWRIIIP-IBGZPJMESA-N 1 1 407.449 2.765 20 30 HFEDMO N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000747226972 1078855012 /nfs/dbraw/zinc/85/50/12/1078855012.db2.gz RPJDPLPRSDUZGI-QFIPXVFZSA-N 1 1 410.543 2.698 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805805915 1079282170 /nfs/dbraw/zinc/28/21/70/1079282170.db2.gz GSZOQRHFOGAXQG-FGZHOGPDSA-N 1 1 406.530 2.938 20 30 HFEDMO C=C(Br)CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000787497526 1076826493 /nfs/dbraw/zinc/82/64/93/1076826493.db2.gz JKBXIMWDZMHSTE-GASCZTMLSA-N 1 1 422.367 2.806 20 30 HFEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)COC(=O)[C@H](C(C)C)[NH+](C)C)c1C#N ZINC000787957485 1077008590 /nfs/dbraw/zinc/00/85/90/1077008590.db2.gz AHOMGPDVPYXLKI-IBGZPJMESA-N 1 1 400.479 2.686 20 30 HFEDMO C=CCn1c(-c2cccc(OC)c2)nn(CN(C)[C@@H](C)C[NH+]2CCOCC2)c1=S ZINC000788377384 1077134388 /nfs/dbraw/zinc/13/43/88/1077134388.db2.gz HRKNPXGESFINDW-KRWDZBQOSA-N 1 1 417.579 2.886 20 30 HFEDMO C#CCn1ccc(CN(CC)C(=O)NCc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)n1 ZINC000788858783 1077322354 /nfs/dbraw/zinc/32/23/54/1077322354.db2.gz IMNGAHWYAXKAJM-BGYRXZFFSA-N 1 1 423.561 2.857 20 30 HFEDMO COc1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1C#N ZINC000746774855 1077363971 /nfs/dbraw/zinc/36/39/71/1077363971.db2.gz DEWBHXVJKJHWLO-UHFFFAOYSA-N 1 1 403.486 2.856 20 30 HFEDMO N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000746789931 1077463105 /nfs/dbraw/zinc/46/31/05/1077463105.db2.gz LNIQXQWSGJETKJ-JOCHJYFZSA-N 1 1 402.498 2.835 20 30 HFEDMO C#CCn1ccc(C[N@H+](CC)C[C@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000789325531 1077520874 /nfs/dbraw/zinc/52/08/74/1077520874.db2.gz GTWWQEFBWRIKCU-KRWDZBQOSA-N 1 1 410.287 2.680 20 30 HFEDMO C#CCn1ccc(C[N@@H+](CC)C[C@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000789325531 1077520875 /nfs/dbraw/zinc/52/08/75/1077520875.db2.gz GTWWQEFBWRIKCU-KRWDZBQOSA-N 1 1 410.287 2.680 20 30 HFEDMO O=C(OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCC(=O)c2cccn21 ZINC000789452493 1077579871 /nfs/dbraw/zinc/57/98/71/1077579871.db2.gz FSSDBISBHUVVBS-QFIPXVFZSA-N 1 1 406.482 2.823 20 30 HFEDMO Cn1ccnc1[C@H](O)[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000789739244 1077773345 /nfs/dbraw/zinc/77/33/45/1077773345.db2.gz JSDWKBRMBKYGNN-WIYYLYMNSA-N 1 1 405.506 2.538 20 30 HFEDMO Cn1cc([C@H](O)C[C@@H]2CCC[N@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)cn1 ZINC000789738633 1077773927 /nfs/dbraw/zinc/77/39/27/1077773927.db2.gz FZHRKGKJYGBHBG-LEWJYISDSA-N 1 1 405.506 2.680 20 30 HFEDMO Cn1cc([C@@H](O)C[C@H]2CCC[N@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)cn1 ZINC000789738635 1077774024 /nfs/dbraw/zinc/77/40/24/1077774024.db2.gz FZHRKGKJYGBHBG-RTWAWAEBSA-N 1 1 405.506 2.680 20 30 HFEDMO CC(C)(C)OC(=O)N1CCN([C@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)C(=O)C1 ZINC000792297404 1077794496 /nfs/dbraw/zinc/79/44/96/1077794496.db2.gz SDRRLQAEWIUFMK-SFHVURJKSA-N 1 1 416.497 2.741 20 30 HFEDMO CC(C)(C)OC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)C(=O)C1 ZINC000792297404 1077794500 /nfs/dbraw/zinc/79/45/00/1077794500.db2.gz SDRRLQAEWIUFMK-SFHVURJKSA-N 1 1 416.497 2.741 20 30 HFEDMO Cn1nc(C(=O)N2CCOCC2)c2c1C[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170386793 1077957421 /nfs/dbraw/zinc/95/74/21/1077957421.db2.gz MZVPSGVONVOYCZ-UHFFFAOYSA-N 1 1 419.529 2.612 20 30 HFEDMO Cn1nc(C(=O)N2CCOCC2)c2c1C[N@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170386793 1077957424 /nfs/dbraw/zinc/95/74/24/1077957424.db2.gz MZVPSGVONVOYCZ-UHFFFAOYSA-N 1 1 419.529 2.612 20 30 HFEDMO C=CCN1C(=O)c2ccc(C(=O)N[C@]3(C)CC[N@@H+](Cc4ccccc4)C3)cc2C1=O ZINC001130609269 1079628267 /nfs/dbraw/zinc/62/82/67/1079628267.db2.gz DQYYWNKEFGUEEI-XMMPIXPASA-N 1 1 403.482 2.863 20 30 HFEDMO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001130609965 1079629390 /nfs/dbraw/zinc/62/93/90/1079629390.db2.gz OHXPSSVFPZPNMU-XMMPIXPASA-N 1 1 416.529 2.931 20 30 HFEDMO N#CCOc1ccc(CC(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001130733002 1079970853 /nfs/dbraw/zinc/97/08/53/1079970853.db2.gz HHNRATBFZBNPBJ-PKTZIBPZSA-N 1 1 405.498 2.633 20 30 HFEDMO C[C@H]1C[C@@H](NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[N@H+]1C1CC1 ZINC000807249940 1080407347 /nfs/dbraw/zinc/40/73/47/1080407347.db2.gz MKDBMSGAOVWQCM-WMLDXEAASA-N 1 1 408.527 2.644 20 30 HFEDMO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC[N@H+]1C ZINC000807250378 1080410215 /nfs/dbraw/zinc/41/02/15/1080410215.db2.gz ZCYLIOXKPWCJLT-QAPCUYQASA-N 1 1 410.543 2.844 20 30 HFEDMO C#CCN(C(=O)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)C1CCCC1 ZINC000807451155 1080630690 /nfs/dbraw/zinc/63/06/90/1080630690.db2.gz DWSCHJBIYDNGLH-UHFFFAOYSA-N 1 1 407.514 2.932 20 30 HFEDMO C#CCN(C(=O)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)C1CCCC1 ZINC000807451155 1080630697 /nfs/dbraw/zinc/63/06/97/1080630697.db2.gz DWSCHJBIYDNGLH-UHFFFAOYSA-N 1 1 407.514 2.932 20 30 HFEDMO C=CCCN(OCc1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000807514116 1080722674 /nfs/dbraw/zinc/72/26/74/1080722674.db2.gz KIZKDUJSYJIZGC-SEJPIABJSA-N 1 1 414.550 2.790 20 30 HFEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3nc4c(cc3C#N)COCC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837760 720630493 /nfs/dbraw/zinc/63/04/93/720630493.db2.gz JHHYXLXFVIRILT-KAGYGMCKSA-N 1 1 406.534 2.600 20 30 HFEDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4ccc(F)cc4)ccc3C#N)CC[C@@H]2C1 ZINC001164852984 720836062 /nfs/dbraw/zinc/83/60/62/720836062.db2.gz MVFBQHSUKWBFNW-KNQAVFIVSA-N 1 1 410.493 2.933 20 30 HFEDMO Cc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C#N)n1 ZINC001164752092 720905187 /nfs/dbraw/zinc/90/51/87/720905187.db2.gz NCYVYRHSBOIQAL-QPPBQGQZSA-N 1 1 418.545 2.807 20 30 HFEDMO N#Cc1nc(Cl)ccc1C(F)(F)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164861327 721032621 /nfs/dbraw/zinc/03/26/21/721032621.db2.gz GMTKBQKWTRCROP-UHFFFAOYSA-N 1 1 403.824 2.656 20 30 HFEDMO CSc1nc(Cl)c(C#N)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164871479 721040995 /nfs/dbraw/zinc/04/09/95/721040995.db2.gz ZDHIEDGSPKWISI-CABCVRRESA-N 1 1 416.938 2.598 20 30 HFEDMO N#CC1(c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2)CCOCC1 ZINC001164879481 721133350 /nfs/dbraw/zinc/13/33/50/721133350.db2.gz SQNAFUPPIUSQKP-VXKWHMMOSA-N 1 1 419.529 2.528 20 30 HFEDMO N#Cc1ccc(-c2ccncc2)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880919 721136375 /nfs/dbraw/zinc/13/63/75/721136375.db2.gz XOTYTKQOAWVBAS-FCHUYYIVSA-N 1 1 412.497 2.890 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(C#N)c5cc([N+](=O)[O-])ccc5n4)C[C@H]3C2)cn1 ZINC001164761029 721236861 /nfs/dbraw/zinc/23/68/61/721236861.db2.gz HATIGMGRQSEYFM-SJLPKXTDSA-N 1 1 417.473 2.706 20 30 HFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4[nH]cc(C#N)c43)C2)C1 ZINC001164777463 721332484 /nfs/dbraw/zinc/33/24/84/721332484.db2.gz NZCMOYAHHRLPFC-JOCHJYFZSA-N 1 1 421.505 2.553 20 30 HFEDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc5c(c4C#N)CCCC5)C3)O2)CC1 ZINC001164891154 721451759 /nfs/dbraw/zinc/45/17/59/721451759.db2.gz UGDRHNANJVNGGI-YKSBVNFPSA-N 1 1 409.578 2.597 20 30 HFEDMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cnc(Cl)cc2C#N)CC1 ZINC001165010476 721742337 /nfs/dbraw/zinc/74/23/37/721742337.db2.gz MSENGNHKFXTKDM-UHFFFAOYSA-N 1 1 411.884 2.675 20 30 HFEDMO N#Cc1cc(C#N)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164981589 722116654 /nfs/dbraw/zinc/11/66/54/722116654.db2.gz UPMQZFDHYQOJTD-LPHOPBHVSA-N 1 1 408.893 2.601 20 30 HFEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000790552118 1078054254 /nfs/dbraw/zinc/05/42/54/1078054254.db2.gz ULDMWUYVOJFTHZ-DNVCBOLYSA-N 1 1 408.329 2.680 20 30 HFEDMO C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)cc1 ZINC000794223695 1078386814 /nfs/dbraw/zinc/38/68/14/1078386814.db2.gz ZVYDPPKOAYXGQE-UHFFFAOYSA-N 1 1 405.907 2.565 20 30 HFEDMO N#Cc1ccc(CN2CC[N@@H+](Cc3ccccc3)[C@H](CO)C2)c(Br)c1 ZINC001137632858 1078554766 /nfs/dbraw/zinc/55/47/66/1078554766.db2.gz MPDHVYVAHBHTHA-IBGZPJMESA-N 1 1 400.320 2.999 20 30 HFEDMO C#CCNc1nc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)nc(N[C@@H]2CCC[C@@H]3OCC[C@@H]32)[nH+]1 ZINC000804552897 1078579727 /nfs/dbraw/zinc/57/97/27/1078579727.db2.gz ILGGSSNICWIIMN-QMROVXIMSA-N 1 1 412.538 2.656 20 30 HFEDMO N#Cc1ccc(NCCNC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc1 ZINC000804959594 1078799062 /nfs/dbraw/zinc/79/90/62/1078799062.db2.gz KQIMIAARLZURSX-HSZRJFAPSA-N 1 1 404.518 2.673 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000805134206 1078931927 /nfs/dbraw/zinc/93/19/27/1078931927.db2.gz UCQYKDQHWDZJOX-IFMALSPDSA-N 1 1 405.546 2.526 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1)c1ccncc1 ZINC000805806960 1079283250 /nfs/dbraw/zinc/28/32/50/1079283250.db2.gz XLNNNYYYKGDXOZ-YADHBBJMSA-N 1 1 406.530 2.938 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1)c1ccncc1 ZINC000805806960 1079283256 /nfs/dbraw/zinc/28/32/56/1079283256.db2.gz XLNNNYYYKGDXOZ-YADHBBJMSA-N 1 1 406.530 2.938 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000805812839 1079287313 /nfs/dbraw/zinc/28/73/13/1079287313.db2.gz AMZISLUFZKFASO-KNKQGSTJSA-N 1 1 406.530 2.936 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000805812839 1079287322 /nfs/dbraw/zinc/28/73/22/1079287322.db2.gz AMZISLUFZKFASO-KNKQGSTJSA-N 1 1 406.530 2.936 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000805815715 1079288641 /nfs/dbraw/zinc/28/86/41/1079288641.db2.gz UKYZXMHUWUQRKD-NHCUHLMSSA-N 1 1 424.570 2.549 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000805815715 1079288648 /nfs/dbraw/zinc/28/86/48/1079288648.db2.gz UKYZXMHUWUQRKD-NHCUHLMSSA-N 1 1 424.570 2.549 20 30 HFEDMO C=C(Br)CNC(=O)C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000787501382 1076827702 /nfs/dbraw/zinc/82/77/02/1076827702.db2.gz QDPVUHZIJYMMQZ-GASCZTMLSA-N 1 1 422.367 2.806 20 30 HFEDMO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H]([N@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC000787716907 1076924632 /nfs/dbraw/zinc/92/46/32/1076924632.db2.gz KFKSIANHQIECRJ-NFBKMPQASA-N 1 1 414.550 2.831 20 30 HFEDMO C#CCN(C(=O)C(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)C1CCCC1 ZINC000787753563 1076927999 /nfs/dbraw/zinc/92/79/99/1076927999.db2.gz YZOHZXKUFSNOJT-JOCHJYFZSA-N 1 1 409.574 2.980 20 30 HFEDMO N#Cc1c2c(sc1NC(=O)CC[NH+]1CCN(c3ccc(C#N)nc3)CC1)CCCC2 ZINC000791047824 1077282632 /nfs/dbraw/zinc/28/26/32/1077282632.db2.gz HHEOZIIYUILXTQ-UHFFFAOYSA-N 1 1 420.542 2.916 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000789068662 1077396198 /nfs/dbraw/zinc/39/61/98/1077396198.db2.gz YKJRCVQUOKIKLQ-NFBKMPQASA-N 1 1 423.561 2.585 20 30 HFEDMO C#CCOc1ccc(F)cc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792197315 1077741690 /nfs/dbraw/zinc/74/16/90/1077741690.db2.gz SNVVFULWGYXQNY-UHFFFAOYSA-N 1 1 405.470 2.719 20 30 HFEDMO C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cccc3c2C[N@H+]([C@H](C)C(C)C)C3)n1 ZINC000789793311 1077799048 /nfs/dbraw/zinc/79/90/48/1077799048.db2.gz HACYPTIVMLDKGH-GOSISDBHSA-N 1 1 421.545 2.864 20 30 HFEDMO CCn1cc([C@H](O)C[N@H+](CC(=O)NCc2ccc(C#N)cc2)Cc2ccccc2)cn1 ZINC000792363580 1077816321 /nfs/dbraw/zinc/81/63/21/1077816321.db2.gz APQRKLWYVLOOSR-HSZRJFAPSA-N 1 1 417.513 2.627 20 30 HFEDMO CCn1cc([C@H](O)C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)Cc2ccccc2)cn1 ZINC000792363580 1077816341 /nfs/dbraw/zinc/81/63/41/1077816341.db2.gz APQRKLWYVLOOSR-HSZRJFAPSA-N 1 1 417.513 2.627 20 30 HFEDMO Cn1cccc1C(=O)N[C@@H]1C[N@H+](C2CCC(C#N)(c3ccccc3)CC2)[C@@H]2COC[C@H]12 ZINC001170386850 1077957456 /nfs/dbraw/zinc/95/74/56/1077957456.db2.gz NTUKAZXBYPJSNQ-KIBNFWIMSA-N 1 1 418.541 2.858 20 30 HFEDMO CC(C)(C)OC(=O)N1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C[C@@H]1C(N)=O ZINC001170389621 1077958187 /nfs/dbraw/zinc/95/81/87/1077958187.db2.gz WICDYVVPGGGWED-FVRICEFQSA-N 1 1 412.534 2.797 20 30 HFEDMO N#CC1(c2ccccc2)CCC([N@H+]2C[C@@H](NC(=O)c3cscn3)[C@H]3COC[C@H]32)CC1 ZINC001170384132 1077964551 /nfs/dbraw/zinc/96/45/51/1077964551.db2.gz VMBSPKOXGJCFLD-LDWHKAQRSA-N 1 1 422.554 2.976 20 30 HFEDMO C=CC[C@]1(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000790250763 1077977190 /nfs/dbraw/zinc/97/71/90/1077977190.db2.gz YZWVNJZGDXNDKH-KGVIQGDOSA-N 1 1 409.571 2.948 20 30 HFEDMO C[C@@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000792994567 1078043124 /nfs/dbraw/zinc/04/31/24/1078043124.db2.gz GRSZYZFPVOZDIU-MRXNPFEDSA-N 1 1 422.533 2.580 20 30 HFEDMO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000806309301 1079560766 /nfs/dbraw/zinc/56/07/66/1079560766.db2.gz QHPNZXVRNMAZFY-SFTDATJTSA-N 1 1 410.587 2.970 20 30 HFEDMO C#CCN(Cc1ccccc1)C(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000806619555 1079859014 /nfs/dbraw/zinc/85/90/14/1079859014.db2.gz HGSHXFWMLQITFX-UHFFFAOYSA-N 1 1 406.530 2.662 20 30 HFEDMO COc1ccc(N2CC[NH+](C[C@@H](O)COc3cc(Cl)cc(C#N)c3)CC2)cc1 ZINC000806632864 1079888434 /nfs/dbraw/zinc/88/84/34/1079888434.db2.gz ULWZNYPXIINDGT-LJQANCHMSA-N 1 1 401.894 2.782 20 30 HFEDMO CSCCCCCCNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000806887060 1080084688 /nfs/dbraw/zinc/08/46/88/1080084688.db2.gz XEWZCXZLEZQZAB-UHFFFAOYSA-N 1 1 416.591 2.632 20 30 HFEDMO CSCCCCCCNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000806887060 1080084699 /nfs/dbraw/zinc/08/46/99/1080084699.db2.gz XEWZCXZLEZQZAB-UHFFFAOYSA-N 1 1 416.591 2.632 20 30 HFEDMO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807248774 1080406080 /nfs/dbraw/zinc/40/60/80/1080406080.db2.gz WEYMQFRNMQNPAT-LJQANCHMSA-N 1 1 410.543 2.702 20 30 HFEDMO CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807248774 1080406082 /nfs/dbraw/zinc/40/60/82/1080406082.db2.gz WEYMQFRNMQNPAT-LJQANCHMSA-N 1 1 410.543 2.702 20 30 HFEDMO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC[C@H]21 ZINC000807249850 1080408123 /nfs/dbraw/zinc/40/81/23/1080408123.db2.gz JEFGTOATRMSKCY-UYAOXDASSA-N 1 1 422.554 2.846 20 30 HFEDMO C[N@H+]1CCO[C@H]2CN(c3nc(C#C[Si](C)(C)C)ccc3NC(=O)C(C)(C)C)C[C@@H]21 ZINC001164674295 719418424 /nfs/dbraw/zinc/41/84/24/719418424.db2.gz WAGIRDSORFPNGA-OALUTQOASA-N 1 1 414.626 2.814 20 30 HFEDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc([C@H](C#N)c3ccc(C)cc3)nn1)CC2 ZINC001164685187 719699859 /nfs/dbraw/zinc/69/98/59/719699859.db2.gz RWXZCWOPYJVMFE-HXUWFJFHSA-N 1 1 418.545 2.621 20 30 HFEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C#N)cc1C#N)CC2 ZINC001164717410 720108008 /nfs/dbraw/zinc/10/80/08/720108008.db2.gz OPGLDJKTWPSTKU-OAQYLSRUSA-N 1 1 402.502 2.727 20 30 HFEDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(C3(C#N)CCC3)cn1)CCC2 ZINC001164814073 720222648 /nfs/dbraw/zinc/22/26/48/720222648.db2.gz SBHGIPKLPNJFHR-UHFFFAOYSA-N 1 1 406.534 2.834 20 30 HFEDMO COC(=O)c1cc(C#N)cnc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837070 720724329 /nfs/dbraw/zinc/72/43/29/720724329.db2.gz DEGYRBIXBWBQNS-HXUWFJFHSA-N 1 1 420.513 3.000 20 30 HFEDMO N#Cc1c(Cl)c2ccccc2nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746330 720754882 /nfs/dbraw/zinc/75/48/82/720754882.db2.gz XORPHNWLMPVUMU-CABCVRRESA-N 1 1 406.877 2.892 20 30 HFEDMO N#Cc1c2c(cnc1N1CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C1)CCCC2 ZINC001164754002 720860346 /nfs/dbraw/zinc/86/03/46/720860346.db2.gz ZQIKCFXWLZUQFL-SXWKCWPCSA-N 1 1 417.561 2.803 20 30 HFEDMO N#Cc1c2c(cnc1N1CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C1)CCCC2 ZINC001164754009 720860535 /nfs/dbraw/zinc/86/05/35/720860535.db2.gz ZQIKCFXWLZUQFL-ZRCGQRJVSA-N 1 1 417.561 2.803 20 30 HFEDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc4ccccc4c(Cl)c3C#N)CC[C@H]2C1 ZINC001164864454 720873671 /nfs/dbraw/zinc/87/36/71/720873671.db2.gz VUESBOHPDLNBJR-HNAYVOBHSA-N 1 1 400.910 2.933 20 30 HFEDMO Cc1nc(C#N)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753328 720901706 /nfs/dbraw/zinc/90/17/06/720901706.db2.gz GNCBMHDGMGUZOT-QPPBQGQZSA-N 1 1 418.545 2.807 20 30 HFEDMO N#CCc1cncc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164750945 720903594 /nfs/dbraw/zinc/90/35/94/720903594.db2.gz CGUOBQBHVQVUJM-QPPBQGQZSA-N 1 1 418.545 2.693 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc(C#N)c(Cl)n4)C[C@@H]3C2)cn1 ZINC001164762198 721078979 /nfs/dbraw/zinc/07/89/79/721078979.db2.gz CYVXSWJCZNSXLV-HOTGVXAUSA-N 1 1 406.868 2.843 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)ncc4C#N)C[C@H]3C2)cn1 ZINC001164771774 721141294 /nfs/dbraw/zinc/14/12/94/721141294.db2.gz TVQDTOJGGPFQGO-GDBMZVCRSA-N 1 1 406.868 2.843 20 30 HFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4[nH]cc(C#N)c43)C2)C1 ZINC001164777464 721332267 /nfs/dbraw/zinc/33/22/67/721332267.db2.gz NZCMOYAHHRLPFC-QFIPXVFZSA-N 1 1 421.505 2.553 20 30 HFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(Cl)nc3C#N)C2)C1 ZINC001164779516 721339089 /nfs/dbraw/zinc/33/90/89/721339089.db2.gz UOEXEBUKKNVGRX-FQEVSTJZSA-N 1 1 416.913 2.726 20 30 HFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(Cl)nc3C#N)C2)C1 ZINC001164779516 721339093 /nfs/dbraw/zinc/33/90/93/721339093.db2.gz UOEXEBUKKNVGRX-FQEVSTJZSA-N 1 1 416.913 2.726 20 30 HFEDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)c(F)cc4C#N)C3)O2)CC1 ZINC001164890948 721381701 /nfs/dbraw/zinc/38/17/01/721381701.db2.gz PMWPKTNMOZYTIS-UZLBHIALSA-N 1 1 407.921 2.511 20 30 HFEDMO Cc1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1C#N ZINC001164885032 721385415 /nfs/dbraw/zinc/38/54/15/721385415.db2.gz BXEJHKVQYIDSBU-LAUBAEHRSA-N 1 1 403.958 2.681 20 30 HFEDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc5c(cc4C#N)CCCC5)C3)O2)CC1 ZINC001164893055 721434045 /nfs/dbraw/zinc/43/40/45/721434045.db2.gz IVBCXMSJIQHOSI-ZJSXRUAMSA-N 1 1 409.578 2.597 20 30 HFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc3[nH]cc(C#N)c31)CC2 ZINC001164789407 721448233 /nfs/dbraw/zinc/44/82/33/721448233.db2.gz VNLWUTHCMISZIX-LJQANCHMSA-N 1 1 424.549 2.563 20 30 HFEDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc5c(c4C#N)CCCC5)C3)O2)CC1 ZINC001164891147 721451712 /nfs/dbraw/zinc/45/17/12/721451712.db2.gz UGDRHNANJVNGGI-RDPSFJRHSA-N 1 1 409.578 2.597 20 30 HFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(C#N)cc1C#N)CC2 ZINC001164786413 721455176 /nfs/dbraw/zinc/45/51/76/721455176.db2.gz MKZNAYMTTILUDK-NRFANRHFSA-N 1 1 409.534 2.559 20 30 HFEDMO CSc1nc(Cl)c(C=NO)c(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC001165045306 721954787 /nfs/dbraw/zinc/95/47/87/721954787.db2.gz SAKSEDMNNLRBMQ-UHFFFAOYSA-N 1 1 407.927 2.861 20 30 HFEDMO O=C(C#Cc1ccc(C(F)(F)F)cc1)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000790547412 1078053660 /nfs/dbraw/zinc/05/36/60/1078053660.db2.gz DGBLUNPWIVGOOJ-UHFFFAOYSA-N 1 1 416.447 2.780 20 30 HFEDMO C#CCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000790552117 1078054367 /nfs/dbraw/zinc/05/43/67/1078054367.db2.gz ULDMWUYVOJFTHZ-BEFAXECRSA-N 1 1 408.329 2.680 20 30 HFEDMO C=CC[C@]1(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790634125 1078069575 /nfs/dbraw/zinc/06/95/75/1078069575.db2.gz RBJZEAJHCDPMFK-HSZRJFAPSA-N 1 1 422.614 2.817 20 30 HFEDMO C=CC[C@]1(C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790634125 1078069581 /nfs/dbraw/zinc/06/95/81/1078069581.db2.gz RBJZEAJHCDPMFK-HSZRJFAPSA-N 1 1 422.614 2.817 20 30 HFEDMO C=CC[C@]1(C(=O)NCC2CCN(CC[NH+](C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790638402 1078071615 /nfs/dbraw/zinc/07/16/15/1078071615.db2.gz ANFFATKDNFABHV-HSZRJFAPSA-N 1 1 422.614 2.722 20 30 HFEDMO C=CC[C@@]1(C(=O)N2CC[NH+](CCOC(C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790701230 1078099815 /nfs/dbraw/zinc/09/98/15/1078099815.db2.gz JCBCLIHEXNPPFW-QFIPXVFZSA-N 1 1 409.571 2.901 20 30 HFEDMO C=CC[C@@]1(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000793945976 1078355061 /nfs/dbraw/zinc/35/50/61/1078355061.db2.gz DDQIAYUOZAXHSF-QFIPXVFZSA-N 1 1 417.554 2.851 20 30 HFEDMO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)o1 ZINC001129828588 1078522991 /nfs/dbraw/zinc/52/29/91/1078522991.db2.gz LUIUYNWPZJAJRD-KRWDZBQOSA-N 1 1 407.518 2.804 20 30 HFEDMO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)o1 ZINC001129828588 1078522993 /nfs/dbraw/zinc/52/29/93/1078522993.db2.gz LUIUYNWPZJAJRD-KRWDZBQOSA-N 1 1 407.518 2.804 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000804945659 1078773629 /nfs/dbraw/zinc/77/36/29/1078773629.db2.gz MTZQSYGHOUAVKL-XMMPIXPASA-N 1 1 404.558 2.868 20 30 HFEDMO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H]([NH+]2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000787685622 1076911191 /nfs/dbraw/zinc/91/11/91/1076911191.db2.gz FPXSKXDZMRJNKH-SIKLNZKXSA-N 1 1 418.513 2.580 20 30 HFEDMO CC(C)(C)OC(=O)NCCOCC[N@H+]1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC000787687210 1076911439 /nfs/dbraw/zinc/91/14/39/1076911439.db2.gz KCUKHTAZEJLMKF-UHFFFAOYSA-N 1 1 402.539 2.607 20 30 HFEDMO CC(C)(C)OC(=O)NCCOCCN1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000787687210 1076911442 /nfs/dbraw/zinc/91/14/42/1076911442.db2.gz KCUKHTAZEJLMKF-UHFFFAOYSA-N 1 1 402.539 2.607 20 30 HFEDMO CC(C)(C)OC(=O)NCCOCCN1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000787687210 1076911446 /nfs/dbraw/zinc/91/14/46/1076911446.db2.gz KCUKHTAZEJLMKF-UHFFFAOYSA-N 1 1 402.539 2.607 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)n1 ZINC000788991058 1077375206 /nfs/dbraw/zinc/37/52/06/1077375206.db2.gz WIHISSZYKVPRRR-JOCHJYFZSA-N 1 1 415.582 2.719 20 30 HFEDMO COc1cc(C[N@@H+]2CC[C@H](NC(=O)NCc3ccc(OC)c(C#N)c3)C2)cc(OC)c1 ZINC000746784976 1077397720 /nfs/dbraw/zinc/39/77/20/1077397720.db2.gz JSAHORPBBRZJOI-IBGZPJMESA-N 1 1 424.501 2.658 20 30 HFEDMO COc1cc(C[N@H+]2CC[C@H](NC(=O)NCc3ccc(OC)c(C#N)c3)C2)cc(OC)c1 ZINC000746784976 1077397727 /nfs/dbraw/zinc/39/77/27/1077397727.db2.gz JSAHORPBBRZJOI-IBGZPJMESA-N 1 1 424.501 2.658 20 30 HFEDMO C#CCn1ccc(CN(CC)C(=O)N[C@@H](CC)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000789099486 1077411036 /nfs/dbraw/zinc/41/10/36/1077411036.db2.gz HXAROLDBCGWZMC-XZOQPEGZSA-N 1 1 423.561 2.727 20 30 HFEDMO C#CCn1ccc(CN(CC)C(=O)N[C@@H](CC)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000789099486 1077411039 /nfs/dbraw/zinc/41/10/39/1077411039.db2.gz HXAROLDBCGWZMC-XZOQPEGZSA-N 1 1 423.561 2.727 20 30 HFEDMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000792150000 1077723820 /nfs/dbraw/zinc/72/38/20/1077723820.db2.gz WGRRANNKZIOERX-KRWDZBQOSA-N 1 1 406.914 2.964 20 30 HFEDMO CCn1cc([C@H](O)C[N@H+](CC(=O)Nc2ccc(C#N)cc2)Cc2ccccc2)cn1 ZINC000792364665 1077816746 /nfs/dbraw/zinc/81/67/46/1077816746.db2.gz ILZQVGYSGCASFP-JOCHJYFZSA-N 1 1 403.486 2.949 20 30 HFEDMO CCn1cc([C@H](O)C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)Cc2ccccc2)cn1 ZINC000792364665 1077816750 /nfs/dbraw/zinc/81/67/50/1077816750.db2.gz ILZQVGYSGCASFP-JOCHJYFZSA-N 1 1 403.486 2.949 20 30 HFEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792368101 1077817815 /nfs/dbraw/zinc/81/78/15/1077817815.db2.gz ITYMNBUNRZGAIS-PKOBYXMFSA-N 1 1 406.486 2.554 20 30 HFEDMO CCc1n[nH]c(C2CC[NH+](Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CC2)n1 ZINC000792397540 1077834092 /nfs/dbraw/zinc/83/40/92/1077834092.db2.gz LZVFZDHZAUGTJZ-INIZCTEOSA-N 1 1 401.474 2.784 20 30 HFEDMO CCc1nc(C2CC[NH+](Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CC2)n[nH]1 ZINC000792397540 1077834095 /nfs/dbraw/zinc/83/40/95/1077834095.db2.gz LZVFZDHZAUGTJZ-INIZCTEOSA-N 1 1 401.474 2.784 20 30 HFEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+][C@@H](C)c2nnnn2C2CC2)c1C#N ZINC000792475512 1077874197 /nfs/dbraw/zinc/87/41/97/1077874197.db2.gz OVZHYUOBPLYLIA-AWEZNQCLSA-N 1 1 422.493 2.619 20 30 HFEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000807110001 1080286866 /nfs/dbraw/zinc/28/68/66/1080286866.db2.gz OXFGUTJPRHVLOC-FUHWJXTLSA-N 1 1 419.526 2.502 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000807469774 1080648781 /nfs/dbraw/zinc/64/87/81/1080648781.db2.gz LHAXOEWPNKUHCT-WXFUMESZSA-N 1 1 405.542 2.803 20 30 HFEDMO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000807543094 1080758933 /nfs/dbraw/zinc/75/89/33/1080758933.db2.gz BCOBMXNIZRCVOJ-ZHALLVOQSA-N 1 1 406.486 2.695 20 30 HFEDMO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cc1OC ZINC001176601348 1126150598 /nfs/dbraw/zinc/15/05/98/1126150598.db2.gz ZPVBYUBORHUGMH-QFIPXVFZSA-N 1 1 408.458 2.709 20 30 HFEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(SC)nc(Cl)c1C#N)C2 ZINC001164813695 720067014 /nfs/dbraw/zinc/06/70/14/720067014.db2.gz VIUIXBCRKSUCRD-AUUYWEPGSA-N 1 1 407.971 2.908 20 30 HFEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])cc1C#N)CC2 ZINC001164719564 720112555 /nfs/dbraw/zinc/11/25/55/720112555.db2.gz YYEUDGQEKAUNIA-HXUWFJFHSA-N 1 1 422.489 2.764 20 30 HFEDMO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746350 720625363 /nfs/dbraw/zinc/62/53/63/720625363.db2.gz XYCVIVZTELVWSN-VQTJNVASSA-N 1 1 416.460 2.891 20 30 HFEDMO COC(=O)c1cc(C#N)cnc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164837064 720724674 /nfs/dbraw/zinc/72/46/74/720724674.db2.gz DEGYRBIXBWBQNS-FQEVSTJZSA-N 1 1 420.513 3.000 20 30 HFEDMO N#Cc1c(Cl)c2ccccc2nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746339 720754481 /nfs/dbraw/zinc/75/44/81/720754481.db2.gz XORPHNWLMPVUMU-HUUCEWRRSA-N 1 1 406.877 2.892 20 30 HFEDMO Cc1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C#N ZINC001164743936 720812230 /nfs/dbraw/zinc/81/22/30/720812230.db2.gz GZMWRCAHVHYKHQ-JENIJYKNSA-N 1 1 411.941 2.886 20 30 HFEDMO N#Cc1c2c(cnc1N1CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C1)CCCC2 ZINC001164753999 720860633 /nfs/dbraw/zinc/86/06/33/720860633.db2.gz ZQIKCFXWLZUQFL-MIZPHKNDSA-N 1 1 417.561 2.803 20 30 HFEDMO Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cnc1C#N ZINC001164756259 720902341 /nfs/dbraw/zinc/90/23/41/720902341.db2.gz OWYDKFJPUFDCTL-QPPBQGQZSA-N 1 1 418.545 2.807 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(C#N)cc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164769941 721141100 /nfs/dbraw/zinc/14/11/00/721141100.db2.gz QLWJJEBBOZBFID-HOTGVXAUSA-N 1 1 406.868 2.843 20 30 HFEDMO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784695 721420172 /nfs/dbraw/zinc/42/01/72/721420172.db2.gz LBTJXKUDVCISMD-GASCZTMLSA-N 1 1 410.547 2.963 20 30 HFEDMO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164784695 721420173 /nfs/dbraw/zinc/42/01/73/721420173.db2.gz LBTJXKUDVCISMD-GASCZTMLSA-N 1 1 410.547 2.963 20 30 HFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(C#N)cc2C#N)[C@H]2CCCO[C@H]12 ZINC001164803799 721552216 /nfs/dbraw/zinc/55/22/16/721552216.db2.gz JDRJCSKUYJNVEU-OTWHNJEPSA-N 1 1 408.893 2.742 20 30 HFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(C#N)cc2C#N)[C@H]2CCCO[C@H]12 ZINC001164803799 721552218 /nfs/dbraw/zinc/55/22/18/721552218.db2.gz JDRJCSKUYJNVEU-OTWHNJEPSA-N 1 1 408.893 2.742 20 30 HFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(C#N)cc2C#N)[C@@H]2CCCO[C@H]12 ZINC001164803801 721552484 /nfs/dbraw/zinc/55/24/84/721552484.db2.gz JDRJCSKUYJNVEU-QRVBRYPASA-N 1 1 408.893 2.742 20 30 HFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(C#N)cc2C#N)[C@@H]2CCCO[C@H]12 ZINC001164803801 721552487 /nfs/dbraw/zinc/55/24/87/721552487.db2.gz JDRJCSKUYJNVEU-QRVBRYPASA-N 1 1 408.893 2.742 20 30 HFEDMO C=CC[NH+]1CCN(c2ncc3c(n2)N([C@@H]2CCC(F)(F)C2)[C@H](CC)C(=O)N3C)CC1 ZINC001165032279 721869481 /nfs/dbraw/zinc/86/94/81/721869481.db2.gz MYBCGRMXDXJFMN-HZPDHXFCSA-N 1 1 420.508 2.534 20 30 HFEDMO C=CC[NH+]1CCN(c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)CC1 ZINC001165032458 721870591 /nfs/dbraw/zinc/87/05/91/721870591.db2.gz SYSPWLCJUFFAMQ-UHFFFAOYSA-N 1 1 413.591 2.710 20 30 HFEDMO N#Cc1ccc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164982752 722105836 /nfs/dbraw/zinc/10/58/36/722105836.db2.gz ONMFLMKXRFRKSI-SIKLNZKXSA-N 1 1 400.486 2.624 20 30 HFEDMO Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(N4CCC[N@H+](C)CC4)cc3)CC2)o1 ZINC000793103770 1078078073 /nfs/dbraw/zinc/07/80/73/1078078073.db2.gz UWVQSNKQZMPXQI-UHFFFAOYSA-N 1 1 422.533 2.852 20 30 HFEDMO C=CCn1c(=S)n(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1-c1cnccn1 ZINC000772829457 1078094468 /nfs/dbraw/zinc/09/44/68/1078094468.db2.gz SKIZLIUMPQYTAU-LPHOPBHVSA-N 1 1 411.579 2.963 20 30 HFEDMO COCc1ncsc1C(=O)OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000793180445 1078095300 /nfs/dbraw/zinc/09/53/00/1078095300.db2.gz UBKAAKBJARVCMF-UHFFFAOYSA-N 1 1 400.500 2.720 20 30 HFEDMO O=C(C#Cc1ccc(C(F)(F)F)cc1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000790778448 1078131169 /nfs/dbraw/zinc/13/11/69/1078131169.db2.gz YTXBVQWXXZIVTE-HXUWFJFHSA-N 1 1 402.416 2.592 20 30 HFEDMO C=CC[C@@]1(C(=O)N2CCC([N@@H+](C)CCCO)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790820913 1078156005 /nfs/dbraw/zinc/15/60/05/1078156005.db2.gz BKFSZBZINXDDQI-QFIPXVFZSA-N 1 1 409.571 2.637 20 30 HFEDMO O=C(C#Cc1ccc(C(F)(F)F)cc1)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000790866355 1078163745 /nfs/dbraw/zinc/16/37/45/1078163745.db2.gz NGZPMQHBCFNNLA-HXUWFJFHSA-N 1 1 402.416 2.940 20 30 HFEDMO CN(C(=O)c1ccc(NCc2cnc3ccc(C#N)cn23)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000793604325 1078221626 /nfs/dbraw/zinc/22/16/26/1078221626.db2.gz FOQJLIKTQFOLEW-FQEVSTJZSA-N 1 1 402.502 2.984 20 30 HFEDMO C#CCNc1nc(N[C@@H]2CCOC3(CCC3)C2)nc(N[C@@H]2CCOC3(CCC3)C2)[nH+]1 ZINC000804562691 1078598411 /nfs/dbraw/zinc/59/84/11/1078598411.db2.gz QNWGDTOCFRHVPR-IAGOWNOFSA-N 1 1 412.538 2.944 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccncc1 ZINC000804643503 1078693201 /nfs/dbraw/zinc/69/32/01/1078693201.db2.gz KMORVHYVECUZJV-BWAGFHJFSA-N 1 1 406.530 2.984 20 30 HFEDMO C#CCCCS(=O)(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000804948138 1078777325 /nfs/dbraw/zinc/77/73/25/1078777325.db2.gz LHMVXPQOWNYDLL-UHFFFAOYSA-N 1 1 417.497 2.550 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC000805806137 1079282184 /nfs/dbraw/zinc/28/21/84/1079282184.db2.gz IZQXAPKFGOQVFH-KNQAVFIVSA-N 1 1 406.530 2.938 20 30 HFEDMO C#CCN(C(=O)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1CCCC1 ZINC000787612517 1076878932 /nfs/dbraw/zinc/87/89/32/1076878932.db2.gz YUCJBDJHGWCCQD-HXUWFJFHSA-N 1 1 401.938 2.998 20 30 HFEDMO COc1ccc(CNC(=O)NCCC[N@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1C#N ZINC000746712810 1076991231 /nfs/dbraw/zinc/99/12/31/1076991231.db2.gz NOIWTWCHRVHQLW-JOCHJYFZSA-N 1 1 421.545 2.745 20 30 HFEDMO COc1ccc(CNC(=O)NCCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1C#N ZINC000746712810 1076991233 /nfs/dbraw/zinc/99/12/33/1076991233.db2.gz NOIWTWCHRVHQLW-JOCHJYFZSA-N 1 1 421.545 2.745 20 30 HFEDMO COc1ccc(CNC(=O)NCCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1C#N ZINC000746712810 1076991236 /nfs/dbraw/zinc/99/12/36/1076991236.db2.gz NOIWTWCHRVHQLW-JOCHJYFZSA-N 1 1 421.545 2.745 20 30 HFEDMO C=C(C)Cn1c(-c2ccncc2)nn(CN(C)[C@H](C)C[NH+]2CCOCC2)c1=S ZINC000788377270 1077134406 /nfs/dbraw/zinc/13/44/06/1077134406.db2.gz LFYZGAPPBRBBAE-QGZVFWFLSA-N 1 1 402.568 2.662 20 30 HFEDMO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C(=O)Nc3ccnn3C3CCCC3)CC2)cc1 ZINC000746785714 1077398853 /nfs/dbraw/zinc/39/88/53/1077398853.db2.gz KXMNRDYHFGPVNA-UHFFFAOYSA-N 1 1 420.517 2.543 20 30 HFEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)C(=O)Nc3ccnn3C3CCCC3)CC2)cc1 ZINC000746785714 1077398858 /nfs/dbraw/zinc/39/88/58/1077398858.db2.gz KXMNRDYHFGPVNA-UHFFFAOYSA-N 1 1 420.517 2.543 20 30 HFEDMO C#CCOc1cc(F)ccc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792195291 1077741081 /nfs/dbraw/zinc/74/10/81/1077741081.db2.gz DZUSVFDBUQWEDV-UHFFFAOYSA-N 1 1 405.470 2.719 20 30 HFEDMO C#CCN(Cc1ccccc1)C(=O)Nc1cc(C(=O)N2CC[NH+](C)CC2)ccc1OC ZINC000806235429 1079513376 /nfs/dbraw/zinc/51/33/76/1079513376.db2.gz AITZKXKQHHMGDC-UHFFFAOYSA-N 1 1 420.513 2.750 20 30 HFEDMO C=CCN1C(=O)c2ccc(C(=O)N[C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)cc2C1=O ZINC001130609268 1079628305 /nfs/dbraw/zinc/62/83/05/1079628305.db2.gz DQYYWNKEFGUEEI-DEOSSOPVSA-N 1 1 403.482 2.863 20 30 HFEDMO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807250032 1080406819 /nfs/dbraw/zinc/40/68/19/1080406819.db2.gz PDWPJUFNWLFPQM-KUHUBIRLSA-N 1 1 408.527 2.502 20 30 HFEDMO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807249302 1080409649 /nfs/dbraw/zinc/40/96/49/1080409649.db2.gz PHSLFJWPLGHBIU-UYAOXDASSA-N 1 1 422.554 2.846 20 30 HFEDMO C#CCOc1ccccc1NC(=O)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000807355151 1080516314 /nfs/dbraw/zinc/51/63/14/1080516314.db2.gz NOBVWIRRKVOFSA-VWLOTQADSA-N 1 1 417.509 2.762 20 30 HFEDMO C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000807335223 1080534395 /nfs/dbraw/zinc/53/43/95/1080534395.db2.gz AARWRPZVSHGSCH-QFIPXVFZSA-N 1 1 418.541 2.518 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000807465234 1080642572 /nfs/dbraw/zinc/64/25/72/1080642572.db2.gz GWAHEPQWCVFLEU-RBZQAINGSA-N 1 1 405.542 2.803 20 30 HFEDMO C#C[C@@H](NC(=O)C(=O)Nc1c(C)cnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000807535933 1080751275 /nfs/dbraw/zinc/75/12/75/1080751275.db2.gz GUTDUKLTVVDKPP-VQTJNVASSA-N 1 1 421.545 2.741 20 30 HFEDMO N#Cc1c2c(cnc1N1CCC3(CC1)CN(Cc1cccs1)CCO3)C[NH2+]CCC2 ZINC001164701261 719885797 /nfs/dbraw/zinc/88/57/97/719885797.db2.gz MVSQAPAJVVEUHM-UHFFFAOYSA-N 1 1 423.586 2.922 20 30 HFEDMO CSc1nc(Cl)c(C=NO)c(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)n1 ZINC001164789984 721400974 /nfs/dbraw/zinc/40/09/74/721400974.db2.gz VWAANTIANUQNMN-QWRGUYRKSA-N 1 1 410.956 2.685 20 30 HFEDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc(CC#N)cc4Cl)C3)O2)CC1 ZINC001164889577 721443782 /nfs/dbraw/zinc/44/37/82/721443782.db2.gz BVOGKBHACPPRSX-NQIIRXRSSA-N 1 1 403.958 2.566 20 30 HFEDMO C=CC[NH+]1CCN(c2ncc3c(n2)N([C@H]2CCC(F)(F)C2)[C@@H](CC)C(=O)N3C)CC1 ZINC001165032277 721869594 /nfs/dbraw/zinc/86/95/94/721869594.db2.gz MYBCGRMXDXJFMN-HOTGVXAUSA-N 1 1 420.508 2.534 20 30 HFEDMO N#Cc1ccc2ncnc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164982751 722105752 /nfs/dbraw/zinc/10/57/52/722105752.db2.gz ONMFLMKXRFRKSI-KNQAVFIVSA-N 1 1 400.486 2.624 20 30 HFEDMO C=CC[C@]1(C(=O)N2CCC([N@@H+](C)CCCO)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790820912 1078156028 /nfs/dbraw/zinc/15/60/28/1078156028.db2.gz BKFSZBZINXDDQI-JOCHJYFZSA-N 1 1 409.571 2.637 20 30 HFEDMO C#C[C@H](NC(=O)[C@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)c1ccc(Cl)cc1F ZINC000804419398 1078468614 /nfs/dbraw/zinc/46/86/14/1078468614.db2.gz MCVDDYJMQHTMLZ-GMBSWORKSA-N 1 1 405.901 2.602 20 30 HFEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)COC(=O)C(C)(C)[NH+]2CCCC2)c1C#N ZINC000805610526 1079174092 /nfs/dbraw/zinc/17/40/92/1079174092.db2.gz KRSATBLDQOGGRV-UHFFFAOYSA-N 1 1 412.490 2.974 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)c1ccncc1 ZINC000805807252 1079282764 /nfs/dbraw/zinc/28/27/64/1079282764.db2.gz CZVGTIFFOMRGRS-JOCHJYFZSA-N 1 1 406.530 2.858 20 30 HFEDMO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000746675633 1076749938 /nfs/dbraw/zinc/74/99/38/1076749938.db2.gz OOGYKQHZQYYGQD-RTBURBONSA-N 1 1 407.518 2.656 20 30 HFEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)C(=O)N(Cc2ccc(C#N)cc2)C(C)C)cn1 ZINC000787483902 1076841886 /nfs/dbraw/zinc/84/18/86/1076841886.db2.gz AVOVFLKSRVFPQS-UHFFFAOYSA-N 1 1 416.485 2.501 20 30 HFEDMO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([NH+]2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000787685624 1076911386 /nfs/dbraw/zinc/91/13/86/1076911386.db2.gz FPXSKXDZMRJNKH-UGKGYDQZSA-N 1 1 418.513 2.580 20 30 HFEDMO COc1ccc(CNC(=O)NCCC[N@H+]2CCN(C)C[C@H]2c2ccccc2)cc1C#N ZINC000746712811 1076991274 /nfs/dbraw/zinc/99/12/74/1076991274.db2.gz NOIWTWCHRVHQLW-QFIPXVFZSA-N 1 1 421.545 2.745 20 30 HFEDMO COc1ccc(CNC(=O)NCCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cc1C#N ZINC000746712811 1076991276 /nfs/dbraw/zinc/99/12/76/1076991276.db2.gz NOIWTWCHRVHQLW-QFIPXVFZSA-N 1 1 421.545 2.745 20 30 HFEDMO COc1ccc(CNC(=O)NCCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1C#N ZINC000746712811 1076991278 /nfs/dbraw/zinc/99/12/78/1076991278.db2.gz NOIWTWCHRVHQLW-QFIPXVFZSA-N 1 1 421.545 2.745 20 30 HFEDMO COc1ccc(CNC(=O)NCc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1C#N ZINC000746716309 1077003262 /nfs/dbraw/zinc/00/32/62/1077003262.db2.gz MGNCWDLJWMHAPP-KRWDZBQOSA-N 1 1 408.502 2.787 20 30 HFEDMO COc1ccc(CNC(=O)NCc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cc1C#N ZINC000746716309 1077003268 /nfs/dbraw/zinc/00/32/68/1077003268.db2.gz MGNCWDLJWMHAPP-KRWDZBQOSA-N 1 1 408.502 2.787 20 30 HFEDMO C=C(C)Cn1c(-c2ccncc2)nn(CN(C)[C@@H](C)C[NH+]2CCOCC2)c1=S ZINC000788377269 1077134416 /nfs/dbraw/zinc/13/44/16/1077134416.db2.gz LFYZGAPPBRBBAE-KRWDZBQOSA-N 1 1 402.568 2.662 20 30 HFEDMO C=CCn1c(COc2ccccc2)nn(CN(C)[C@@H](C)C[NH+]2CCOCC2)c1=S ZINC000788379150 1077134693 /nfs/dbraw/zinc/13/46/93/1077134693.db2.gz WDSOXIUMUIJYIE-SFHVURJKSA-N 1 1 417.579 2.789 20 30 HFEDMO C#CC[NH+]1CCN(Cn2[nH]c(-c3ccc(OC)c(Br)c3)nc2=S)CC1 ZINC000788768118 1077282160 /nfs/dbraw/zinc/28/21/60/1077282160.db2.gz BMAJUQBYIZJKIQ-UHFFFAOYSA-N 1 1 422.352 2.587 20 30 HFEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000788962232 1077364460 /nfs/dbraw/zinc/36/44/60/1077364460.db2.gz AIMQUTRUUKPTFA-UHFFFAOYSA-N 1 1 423.995 2.984 20 30 HFEDMO C[C@@H]1CC[C@H]([N@@H+](CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)C1 ZINC001170159227 1077537062 /nfs/dbraw/zinc/53/70/62/1077537062.db2.gz RRHVUQPJZVPFAV-XWSJACJDSA-N 1 1 406.546 2.731 20 30 HFEDMO C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C1CCN(c2cnccn2)CC1 ZINC000789367116 1077540125 /nfs/dbraw/zinc/54/01/25/1077540125.db2.gz QMVCKERFWRVWCR-GOSISDBHSA-N 1 1 413.485 2.614 20 30 HFEDMO CN(C(=O)C(=O)Nc1cccc(OCC#N)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746808392 1077566006 /nfs/dbraw/zinc/56/60/06/1077566006.db2.gz UQDIYOBLBVSWJI-FQEVSTJZSA-N 1 1 406.486 2.650 20 30 HFEDMO C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)n1 ZINC000789794760 1077801256 /nfs/dbraw/zinc/80/12/56/1077801256.db2.gz KTWKGZJIYGRKDA-LJQANCHMSA-N 1 1 421.545 2.735 20 30 HFEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792368098 1077817790 /nfs/dbraw/zinc/81/77/90/1077817790.db2.gz ITYMNBUNRZGAIS-HKUYNNGSSA-N 1 1 406.486 2.554 20 30 HFEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC001170183289 1077903378 /nfs/dbraw/zinc/90/33/78/1077903378.db2.gz FOIZCBMXDQTFLH-PKTZIBPZSA-N 1 1 421.541 2.901 20 30 HFEDMO CN(C)C(=O)CN1CC[C@@]2(CCC[N@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)C1=O ZINC001170381127 1077963640 /nfs/dbraw/zinc/96/36/40/1077963640.db2.gz HVXPREDDJMOLDD-ZZVXHFGESA-N 1 1 422.573 2.793 20 30 HFEDMO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)c2)s1 ZINC000790275518 1077993838 /nfs/dbraw/zinc/99/38/38/1077993838.db2.gz ZLJPWWQOLTUHIG-RTBURBONSA-N 1 1 408.527 2.646 20 30 HFEDMO Cc1ccccc1C[NH+]1CCN(C(=O)COC(=O)/C=C\c2ccccc2C#N)CC1 ZINC000806318615 1079590314 /nfs/dbraw/zinc/59/03/14/1079590314.db2.gz ZHHAUHLBXSMHJE-KHPPLWFESA-N 1 1 403.482 2.768 20 30 HFEDMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC[C@@H]21 ZINC000807249848 1080408007 /nfs/dbraw/zinc/40/80/07/1080408007.db2.gz JEFGTOATRMSKCY-ICSRJNTNSA-N 1 1 422.554 2.846 20 30 HFEDMO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1nccc(C#N)c1[N+](=O)[O-] ZINC001170521983 1080492366 /nfs/dbraw/zinc/49/23/66/1080492366.db2.gz SCDNUARFCQNAMZ-UHFFFAOYSA-N 1 1 407.430 2.996 20 30 HFEDMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1nccc(C#N)c1[N+](=O)[O-] ZINC001170521983 1080492370 /nfs/dbraw/zinc/49/23/70/1080492370.db2.gz SCDNUARFCQNAMZ-UHFFFAOYSA-N 1 1 407.430 2.996 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000807469773 1080648736 /nfs/dbraw/zinc/64/87/36/1080648736.db2.gz LHAXOEWPNKUHCT-VXNXHJTFSA-N 1 1 405.542 2.803 20 30 HFEDMO COc1ccc(C[C@@](C)(CO)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cc1OC ZINC001308117925 1126163871 /nfs/dbraw/zinc/16/38/71/1126163871.db2.gz PESDWTBVZRNDLC-QFIPXVFZSA-N 1 1 408.458 2.709 20 30 HFEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1C#N)CC2 ZINC001164709720 720104957 /nfs/dbraw/zinc/10/49/57/720104957.db2.gz CNZUIYZMJQPGRH-GOSISDBHSA-N 1 1 412.925 2.904 20 30 HFEDMO N#Cc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc2ccc(Cl)cc12 ZINC001164750498 720799377 /nfs/dbraw/zinc/79/93/77/720799377.db2.gz VVUAQQKUMXFGFF-IAGOWNOFSA-N 1 1 406.877 2.892 20 30 HFEDMO N#Cc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc2ccc(Cl)cc12 ZINC001164750509 720800310 /nfs/dbraw/zinc/80/03/10/720800310.db2.gz VVUAQQKUMXFGFF-SJORKVTESA-N 1 1 406.877 2.892 20 30 HFEDMO CC1(C)CCCc2cc(C#N)c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc21 ZINC001164742726 720804476 /nfs/dbraw/zinc/80/44/76/720804476.db2.gz DCZSZLRKYWAXJH-RTBURBONSA-N 1 1 404.518 2.699 20 30 HFEDMO N#CCc1cnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164749643 720854018 /nfs/dbraw/zinc/85/40/18/720854018.db2.gz NZQKDRYDJYBDML-CMKODMSKSA-N 1 1 411.941 2.772 20 30 HFEDMO Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C#N)n1 ZINC001164753484 720894093 /nfs/dbraw/zinc/89/40/93/720894093.db2.gz HBLRZPDLWHEBBW-XUZZJYLKSA-N 1 1 418.545 2.807 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C#N)c4)C[C@@H]3C2)cn1 ZINC001164769915 721137836 /nfs/dbraw/zinc/13/78/36/721137836.db2.gz QAOCCRYURDHEFH-ZBFHGGJFSA-N 1 1 406.868 2.843 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(C#N)c4)C[C@@H]3C2)cn1 ZINC001164769914 721138905 /nfs/dbraw/zinc/13/89/05/721138905.db2.gz QAOCCRYURDHEFH-HOCLYGCPSA-N 1 1 406.868 2.843 20 30 HFEDMO CSc1nc(Cl)c(C=NO)c(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164789981 721401075 /nfs/dbraw/zinc/40/10/75/721401075.db2.gz VWAANTIANUQNMN-GHMZBOCLSA-N 1 1 410.956 2.685 20 30 HFEDMO CSc1nc(Cl)c(C=NO)c(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164789982 721401111 /nfs/dbraw/zinc/40/11/11/721401111.db2.gz VWAANTIANUQNMN-PHIMTYICSA-N 1 1 410.956 2.685 20 30 HFEDMO CSc1nc(Cl)c(C=NO)c(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)n1 ZINC001164789982 721401112 /nfs/dbraw/zinc/40/11/12/721401112.db2.gz VWAANTIANUQNMN-PHIMTYICSA-N 1 1 410.956 2.685 20 30 HFEDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc(CC#N)cc4Cl)C3)O2)CC1 ZINC001164889576 721443440 /nfs/dbraw/zinc/44/34/40/721443440.db2.gz BVOGKBHACPPRSX-GHTZIAJQSA-N 1 1 403.958 2.566 20 30 HFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc3c(C#N)c[nH]c3n1)CC2 ZINC001164784433 721463965 /nfs/dbraw/zinc/46/39/65/721463965.db2.gz IALBNNUJEZSMBU-IBGZPJMESA-N 1 1 424.549 2.563 20 30 HFEDMO C=CC[NH+]1CCN(c2ncc3c(n2)N([C@H]2CCC(F)(F)C2)[C@H](CC)C(=O)N3C)CC1 ZINC001165032282 721869618 /nfs/dbraw/zinc/86/96/18/721869618.db2.gz MYBCGRMXDXJFMN-JKSUJKDBSA-N 1 1 420.508 2.534 20 30 HFEDMO CSc1nc(-c2ccccc2)nc(N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)c1C#N ZINC001164927399 721869946 /nfs/dbraw/zinc/86/99/46/721869946.db2.gz UUZIDXCTAHIGGZ-RBUKOAKNSA-N 1 1 408.575 2.952 20 30 HFEDMO CSc1nc(-c2ccccc2)nc(N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)c1C#N ZINC001164927399 721869947 /nfs/dbraw/zinc/86/99/47/721869947.db2.gz UUZIDXCTAHIGGZ-RBUKOAKNSA-N 1 1 408.575 2.952 20 30 HFEDMO N#Cc1cc(F)c(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976532 722100377 /nfs/dbraw/zinc/10/03/77/722100377.db2.gz DVHMIVDJRKCSBU-CRAIPNDOSA-N 1 1 401.873 2.868 20 30 HFEDMO C=CC[C@]1(C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790634111 1078069490 /nfs/dbraw/zinc/06/94/90/1078069490.db2.gz RAQDBWDFSZBYFP-AUSIDOKSSA-N 1 1 422.614 2.722 20 30 HFEDMO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000794323137 1078413926 /nfs/dbraw/zinc/41/39/26/1078413926.db2.gz WWKUYFXUVHBGIP-INIZCTEOSA-N 1 1 404.486 2.550 20 30 HFEDMO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000794323137 1078413930 /nfs/dbraw/zinc/41/39/30/1078413930.db2.gz WWKUYFXUVHBGIP-INIZCTEOSA-N 1 1 404.486 2.550 20 30 HFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc(I)cc1Cl ZINC000794345161 1078421487 /nfs/dbraw/zinc/42/14/87/1078421487.db2.gz BYXNTURSASFTIW-AWEZNQCLSA-N 1 1 402.663 2.658 20 30 HFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(I)cc1Cl ZINC000794345161 1078421490 /nfs/dbraw/zinc/42/14/90/1078421490.db2.gz BYXNTURSASFTIW-AWEZNQCLSA-N 1 1 402.663 2.658 20 30 HFEDMO N#Cc1ccc(F)c(CNC(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000805158147 1078950274 /nfs/dbraw/zinc/95/02/74/1078950274.db2.gz SQQNYCLVLXOQII-QFIPXVFZSA-N 1 1 421.520 2.799 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805805913 1079282251 /nfs/dbraw/zinc/28/22/51/1079282251.db2.gz GSZOQRHFOGAXQG-FCHUYYIVSA-N 1 1 406.530 2.938 20 30 HFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000787407656 1076810028 /nfs/dbraw/zinc/81/00/28/1076810028.db2.gz PPIHPPFSLHQNPG-KRWDZBQOSA-N 1 1 423.351 2.655 20 30 HFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)Cc1cccc(Br)c1OCC(C)(C)O ZINC000787407656 1076810038 /nfs/dbraw/zinc/81/00/38/1076810038.db2.gz PPIHPPFSLHQNPG-KRWDZBQOSA-N 1 1 423.351 2.655 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)NC[C@H](CC)[N@H+]1CCc2ccccc2C1)c1ccncc1 ZINC000787631648 1076884676 /nfs/dbraw/zinc/88/46/76/1076884676.db2.gz MCTAROIZJGKJQC-VXKWHMMOSA-N 1 1 406.530 2.768 20 30 HFEDMO CC(C)(C)OC(=O)NC[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC000788273769 1077095017 /nfs/dbraw/zinc/09/50/17/1077095017.db2.gz BKPASSWIDJKZOI-UXHICEINSA-N 1 1 414.550 2.864 20 30 HFEDMO C=CCn1c(COc2ccccc2)nn(CN(C)[C@H](C)C[NH+]2CCOCC2)c1=S ZINC000788379147 1077134636 /nfs/dbraw/zinc/13/46/36/1077134636.db2.gz WDSOXIUMUIJYIE-GOSISDBHSA-N 1 1 417.579 2.789 20 30 HFEDMO C=CC[C@]1(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000790950627 1077252150 /nfs/dbraw/zinc/25/21/50/1077252150.db2.gz QRLWJJWZAZOANY-VGOFRKELSA-N 1 1 409.571 2.636 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000788924441 1077337326 /nfs/dbraw/zinc/33/73/26/1077337326.db2.gz DHCGGHXPLWKRRW-JOCHJYFZSA-N 1 1 423.561 2.587 20 30 HFEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746806110 1077556170 /nfs/dbraw/zinc/55/61/70/1077556170.db2.gz AWDPPVKFQCJEKA-FQEVSTJZSA-N 1 1 423.488 2.899 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)n1 ZINC000790104673 1077950385 /nfs/dbraw/zinc/95/03/85/1077950385.db2.gz JFPBNHXDRVXSRD-QFIPXVFZSA-N 1 1 412.509 2.685 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)n1 ZINC000790104673 1077950386 /nfs/dbraw/zinc/95/03/86/1077950386.db2.gz JFPBNHXDRVXSRD-QFIPXVFZSA-N 1 1 412.509 2.685 20 30 HFEDMO S=C(NCCC[NH+]1CCOCC1)NN=Cc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000790148410 1077957035 /nfs/dbraw/zinc/95/70/35/1077957035.db2.gz VUEUMGVUVYIBFG-UHFFFAOYSA-N 1 1 414.362 2.995 20 30 HFEDMO N#CC1(c2ccccc2)CCC([N@@H+]2CCc3nnc(Cn4cccn4)n3CC2)CC1 ZINC001170386432 1077957462 /nfs/dbraw/zinc/95/74/62/1077957462.db2.gz GHAURLMLKKNLBZ-UHFFFAOYSA-N 1 1 401.518 2.785 20 30 HFEDMO CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170382603 1077964111 /nfs/dbraw/zinc/96/41/11/1077964111.db2.gz BPBBKQLHZIASHV-FULISQOKSA-N 1 1 411.546 2.777 20 30 HFEDMO C#CCOc1cccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000807354649 1080517149 /nfs/dbraw/zinc/51/71/49/1080517149.db2.gz FBQOHYMFCSTSJJ-RUZDIDTESA-N 1 1 417.509 2.762 20 30 HFEDMO N#Cc1cc2c(nc1N1CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C1)CCCC2 ZINC001164742513 720846392 /nfs/dbraw/zinc/84/63/92/720846392.db2.gz HEGWTXOJIZEJBD-QZNHQXDQSA-N 1 1 417.561 2.803 20 30 HFEDMO N#Cc1c2c(cnc1N1CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C1)CCCC2 ZINC001164754005 720860307 /nfs/dbraw/zinc/86/03/07/720860307.db2.gz ZQIKCFXWLZUQFL-TXTKFYIRSA-N 1 1 417.561 2.803 20 30 HFEDMO Cc1cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc(C#N)n1 ZINC001164753486 720893684 /nfs/dbraw/zinc/89/36/84/720893684.db2.gz HBLRZPDLWHEBBW-ZJSXRUAMSA-N 1 1 418.545 2.807 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(C#N)c(Cl)n4)C[C@H]3C2)cn1 ZINC001164762200 721078740 /nfs/dbraw/zinc/07/87/40/721078740.db2.gz CYVXSWJCZNSXLV-HZPDHXFCSA-N 1 1 406.868 2.843 20 30 HFEDMO COc1ccnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1C#N ZINC001164779241 721344700 /nfs/dbraw/zinc/34/47/00/721344700.db2.gz ROCPLGZCAHLWTN-JOCHJYFZSA-N 1 1 411.506 2.686 20 30 HFEDMO COc1ccnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1C#N ZINC001164779241 721344706 /nfs/dbraw/zinc/34/47/06/721344706.db2.gz ROCPLGZCAHLWTN-JOCHJYFZSA-N 1 1 411.506 2.686 20 30 HFEDMO C=CCNC(=O)c1cccnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC001164960709 722060061 /nfs/dbraw/zinc/06/00/61/722060061.db2.gz INJJTEMACIELJA-UHFFFAOYSA-N 1 1 421.545 2.511 20 30 HFEDMO N#Cc1cc(C#N)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)nc1Cl ZINC001164981577 722116954 /nfs/dbraw/zinc/11/69/54/722116954.db2.gz UPMQZFDHYQOJTD-APWZRJJASA-N 1 1 408.893 2.601 20 30 HFEDMO C=CC[C@@]1(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000790629492 1078067884 /nfs/dbraw/zinc/06/78/84/1078067884.db2.gz OJNGRSZUSUKTDM-JPYJTQIMSA-N 1 1 420.598 2.617 20 30 HFEDMO C=CC[C@@]1(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000790629492 1078067891 /nfs/dbraw/zinc/06/78/91/1078067891.db2.gz OJNGRSZUSUKTDM-JPYJTQIMSA-N 1 1 420.598 2.617 20 30 HFEDMO C=CCOc1ccc(CN2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC000793602942 1078221337 /nfs/dbraw/zinc/22/13/37/1078221337.db2.gz AKHMNLVHXVKQMA-GOSISDBHSA-N 1 1 405.539 2.901 20 30 HFEDMO C=CCOc1ccc(CN2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC000793602942 1078221339 /nfs/dbraw/zinc/22/13/39/1078221339.db2.gz AKHMNLVHXVKQMA-GOSISDBHSA-N 1 1 405.539 2.901 20 30 HFEDMO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000793860872 1078326091 /nfs/dbraw/zinc/32/60/91/1078326091.db2.gz YEUSIWRONYSJFO-QGZVFWFLSA-N 1 1 410.543 2.840 20 30 HFEDMO Cc1ccc([C@@H](C)NC(=O)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC000793860872 1078326096 /nfs/dbraw/zinc/32/60/96/1078326096.db2.gz YEUSIWRONYSJFO-QGZVFWFLSA-N 1 1 410.543 2.840 20 30 HFEDMO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)c2)s1 ZINC000804731428 1078589291 /nfs/dbraw/zinc/58/92/91/1078589291.db2.gz NITVFCJTXHOINY-GOSISDBHSA-N 1 1 408.527 2.503 20 30 HFEDMO C#CCNc1nc(NC2CCC(O)(CC)CC2)nc(NC2CCC(O)(CC)CC2)[nH+]1 ZINC000804589528 1078623110 /nfs/dbraw/zinc/62/31/10/1078623110.db2.gz DWSJHRFALOWAIX-UHFFFAOYSA-N 1 1 416.570 2.908 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000804643504 1078693189 /nfs/dbraw/zinc/69/31/89/1078693189.db2.gz KMORVHYVECUZJV-COPCDDAFSA-N 1 1 406.530 2.984 20 30 HFEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805829813 1079298360 /nfs/dbraw/zinc/29/83/60/1079298360.db2.gz QVYHBQGDAXOFJS-IBGZPJMESA-N 1 1 403.527 2.556 20 30 HFEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805829813 1079298364 /nfs/dbraw/zinc/29/83/64/1079298364.db2.gz QVYHBQGDAXOFJS-IBGZPJMESA-N 1 1 403.527 2.556 20 30 HFEDMO COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1NCc1ccc(C#N)c(F)c1 ZINC001170089234 1077280282 /nfs/dbraw/zinc/28/02/82/1077280282.db2.gz IGPCUHIKLVNJJA-MRXNPFEDSA-N 1 1 414.481 2.810 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000788924442 1077337344 /nfs/dbraw/zinc/33/73/44/1077337344.db2.gz DHCGGHXPLWKRRW-QFIPXVFZSA-N 1 1 423.561 2.587 20 30 HFEDMO C#CCn1ccc(CN(CC)C(=O)NCC2CC[NH+](Cc3nc(C)c(C)o3)CC2)n1 ZINC000788997152 1077376910 /nfs/dbraw/zinc/37/69/10/1077376910.db2.gz BWBRLMLSNGFWEK-UHFFFAOYSA-N 1 1 412.538 2.565 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000789068665 1077396212 /nfs/dbraw/zinc/39/62/12/1077396212.db2.gz YKJRCVQUOKIKLQ-NZQKXSOJSA-N 1 1 423.561 2.585 20 30 HFEDMO N#Cc1ccccc1N1CCC(NC(=O)[C@]2(O)CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC001170155333 1077409751 /nfs/dbraw/zinc/40/97/51/1077409751.db2.gz NMQOPIOVZKFHDF-VWLOTQADSA-N 1 1 418.541 2.670 20 30 HFEDMO O=C(OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccn(CC(F)F)n1 ZINC000789452907 1077579805 /nfs/dbraw/zinc/57/98/05/1077579805.db2.gz KTRUQTZWDQMPOM-UHFFFAOYSA-N 1 1 403.429 2.579 20 30 HFEDMO C=CCc1cc(C[N@@H+]2CCc3c(cccc3S(=O)(=O)N(C)C)C2)c(O)c(OC)c1 ZINC000789468434 1077585349 /nfs/dbraw/zinc/58/53/49/1077585349.db2.gz MGDSMGJZRCZHFU-UHFFFAOYSA-N 1 1 416.543 2.938 20 30 HFEDMO C=CCc1cc(C[N@H+]2CCc3c(cccc3S(=O)(=O)N(C)C)C2)c(O)c(OC)c1 ZINC000789468434 1077585350 /nfs/dbraw/zinc/58/53/50/1077585350.db2.gz MGDSMGJZRCZHFU-UHFFFAOYSA-N 1 1 416.543 2.938 20 30 HFEDMO C[C@H](C#N)Oc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792307998 1077798932 /nfs/dbraw/zinc/79/89/32/1077798932.db2.gz UBYIJUIEDZVPHR-MRXNPFEDSA-N 1 1 402.495 2.859 20 30 HFEDMO Cc1ccccc1C[N@H+]1CCCN(C(=O)COC(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000792319986 1077805124 /nfs/dbraw/zinc/80/51/24/1077805124.db2.gz ALPXKXGIEONCAN-UHFFFAOYSA-N 1 1 409.461 2.897 20 30 HFEDMO C=CC[C@@]1(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCCN1C(=O)OC(C)(C)C ZINC000790219879 1077972927 /nfs/dbraw/zinc/97/29/27/1077972927.db2.gz NLGNEEKVKMFHCZ-AVRDEDQJSA-N 1 1 409.571 2.805 20 30 HFEDMO C[C@H]1CCC[N@H+]1CCNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 ZINC000792994566 1078043186 /nfs/dbraw/zinc/04/31/86/1078043186.db2.gz GRSZYZFPVOZDIU-INIZCTEOSA-N 1 1 422.533 2.580 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000806309300 1079560659 /nfs/dbraw/zinc/56/06/59/1079560659.db2.gz QHPNZXVRNMAZFY-RTWAWAEBSA-N 1 1 410.587 2.970 20 30 HFEDMO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807249986 1080407293 /nfs/dbraw/zinc/40/72/93/1080407293.db2.gz NPBKLWKAGKYZFR-DNVCBOLYSA-N 1 1 410.543 2.702 20 30 HFEDMO C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000807404018 1080598684 /nfs/dbraw/zinc/59/86/84/1080598684.db2.gz FZVDRKPADDOZLR-LJQANCHMSA-N 1 1 405.498 2.680 20 30 HFEDMO C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000807405869 1080600926 /nfs/dbraw/zinc/60/09/26/1080600926.db2.gz AOLACUDZZCJJMU-BGYRXZFFSA-N 1 1 419.525 2.896 20 30 HFEDMO C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000807405869 1080600930 /nfs/dbraw/zinc/60/09/30/1080600930.db2.gz AOLACUDZZCJJMU-BGYRXZFFSA-N 1 1 419.525 2.896 20 30 HFEDMO C=C(CNC(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1)c1ccccc1 ZINC000807489660 1080679368 /nfs/dbraw/zinc/67/93/68/1080679368.db2.gz VAMMJJXLGOBUSM-UHFFFAOYSA-N 1 1 412.921 2.860 20 30 HFEDMO C#C[C@@H](NC(=O)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000807535934 1080751312 /nfs/dbraw/zinc/75/13/12/1080751312.db2.gz GUTDUKLTVVDKPP-WOJBJXKFSA-N 1 1 421.545 2.741 20 30 HFEDMO COCCNC(=O)c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000328606094 569418337 /nfs/dbraw/zinc/41/83/37/569418337.db2.gz QLCSWLWGJHODKV-INIZCTEOSA-N 1 1 409.490 2.994 20 30 HFEDMO Cc1c(Cl)c(Cl)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1C#N ZINC001164743625 720649010 /nfs/dbraw/zinc/64/90/10/720649010.db2.gz PRQHJZXERVWYSF-CHWSQXEVSA-N 1 1 405.289 2.700 20 30 HFEDMO Cc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)cc1C#N ZINC001164750407 720858901 /nfs/dbraw/zinc/85/89/01/720858901.db2.gz PSQBMKWTRSSQSX-NLWGTHIKSA-N 1 1 411.941 2.886 20 30 HFEDMO Cc1ncc(C#N)c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757473 720883231 /nfs/dbraw/zinc/88/32/31/720883231.db2.gz VCUDZDOBLSRDLW-UPVQGACJSA-N 1 1 418.545 2.807 20 30 HFEDMO N#CC1(c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2)CCOCC1 ZINC001164879482 721132859 /nfs/dbraw/zinc/13/28/59/721132859.db2.gz SQNAFUPPIUSQKP-YADHBBJMSA-N 1 1 419.529 2.528 20 30 HFEDMO N#Cc1ccc(-c2ccncc2)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880920 721137149 /nfs/dbraw/zinc/13/71/49/721137149.db2.gz XOTYTKQOAWVBAS-FGZHOGPDSA-N 1 1 412.497 2.890 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(C#N)c4)C[C@H]3C2)cn1 ZINC001164769913 721138745 /nfs/dbraw/zinc/13/87/45/721138745.db2.gz QAOCCRYURDHEFH-GOEBONIOSA-N 1 1 406.868 2.843 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)ncc4C#N)C[C@H]3C2)cn1 ZINC001164771775 721141952 /nfs/dbraw/zinc/14/19/52/721141952.db2.gz TVQDTOJGGPFQGO-GOEBONIOSA-N 1 1 406.868 2.843 20 30 HFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cnc3C#N)C2)C1 ZINC001164780064 721340178 /nfs/dbraw/zinc/34/01/78/721340178.db2.gz ZGOBHXIVFFPMCV-FQEVSTJZSA-N 1 1 416.913 2.726 20 30 HFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)cnc3C#N)C2)C1 ZINC001164780064 721340179 /nfs/dbraw/zinc/34/01/79/721340179.db2.gz ZGOBHXIVFFPMCV-FQEVSTJZSA-N 1 1 416.913 2.726 20 30 HFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)cc3C#N)C2)C1 ZINC001164779100 721342080 /nfs/dbraw/zinc/34/20/80/721342080.db2.gz QXIAKNZHXZKJID-FQEVSTJZSA-N 1 1 416.913 2.726 20 30 HFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nnc(Cl)cc3C#N)C2)C1 ZINC001164779100 721342084 /nfs/dbraw/zinc/34/20/84/721342084.db2.gz QXIAKNZHXZKJID-FQEVSTJZSA-N 1 1 416.913 2.726 20 30 HFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc(C#N)cc3C#N)C2)C1 ZINC001164779991 721342688 /nfs/dbraw/zinc/34/26/88/721342688.db2.gz XXBHBBIGKRGNIZ-QFIPXVFZSA-N 1 1 406.490 2.549 20 30 HFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C#N)cc3C#N)C2)C1 ZINC001164779991 721342693 /nfs/dbraw/zinc/34/26/93/721342693.db2.gz XXBHBBIGKRGNIZ-QFIPXVFZSA-N 1 1 406.490 2.549 20 30 HFEDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc(C5(C#N)CCC5)cn4)C3)O2)CC1 ZINC001164883591 721411176 /nfs/dbraw/zinc/41/11/76/721411176.db2.gz BEDWCIDMUODPKY-URXFXBBRSA-N 1 1 409.578 2.792 20 30 HFEDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(C#N)c5ccccc5n4)C3)O2)CC1 ZINC001164893086 721434194 /nfs/dbraw/zinc/43/41/94/721434194.db2.gz IYMHOTLSOJLMOW-YKSBVNFPSA-N 1 1 405.546 2.872 20 30 HFEDMO Cc1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c(Cl)cc1C#N ZINC001164885335 721451209 /nfs/dbraw/zinc/45/12/09/721451209.db2.gz DFBVQJOPKLEWRE-GHTZIAJQSA-N 1 1 403.958 2.681 20 30 HFEDMO N#Cc1cc2c(nc1N1CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C1)CCCC2 ZINC001164983357 722140044 /nfs/dbraw/zinc/14/00/44/722140044.db2.gz UQJWDRMQKXJHST-NZQKXSOJSA-N 1 1 403.530 2.954 20 30 HFEDMO CN(CCC#N)c1ccc(CN2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000793605544 1078223454 /nfs/dbraw/zinc/22/34/54/1078223454.db2.gz VLPZDVQPXZQJQW-FQEVSTJZSA-N 1 1 401.555 2.677 20 30 HFEDMO CN(CCC#N)c1ccc(CN2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000793605544 1078223459 /nfs/dbraw/zinc/22/34/59/1078223459.db2.gz VLPZDVQPXZQJQW-FQEVSTJZSA-N 1 1 401.555 2.677 20 30 HFEDMO C=CCn1c(CCN2CCCCC2)nn(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1=S ZINC000793765723 1078282806 /nfs/dbraw/zinc/28/28/06/1078282806.db2.gz JMLJLUOVYBWFGV-NRFANRHFSA-N 1 1 404.628 2.614 20 30 HFEDMO C=CCn1c(CCN2CCCCC2)nn(CN2CC[C@]3(CC[N@H+](C)C3)C2)c1=S ZINC000793765723 1078282807 /nfs/dbraw/zinc/28/28/07/1078282807.db2.gz JMLJLUOVYBWFGV-NRFANRHFSA-N 1 1 404.628 2.614 20 30 HFEDMO CCCCCCC[C@@H](C)CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000793789203 1078297048 /nfs/dbraw/zinc/29/70/48/1078297048.db2.gz FGGDAYJLAQCZCC-IZCSPVGOSA-N 1 1 420.642 2.869 20 30 HFEDMO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793805293 1078304382 /nfs/dbraw/zinc/30/43/82/1078304382.db2.gz NCVBBCAUOUBFBB-UHFFFAOYSA-N 1 1 416.485 2.502 20 30 HFEDMO C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000805134207 1078931896 /nfs/dbraw/zinc/93/18/96/1078931896.db2.gz UCQYKDQHWDZJOX-IRLDBZIGSA-N 1 1 405.546 2.526 20 30 HFEDMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1CC(=O)NCc1cccc(C#N)c1 ZINC000805765185 1079265952 /nfs/dbraw/zinc/26/59/52/1079265952.db2.gz KLBOLTGZDRRXPS-LJQANCHMSA-N 1 1 400.523 2.944 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1)c1ccncc1 ZINC000805806958 1079283234 /nfs/dbraw/zinc/28/32/34/1079283234.db2.gz XLNNNYYYKGDXOZ-FGZHOGPDSA-N 1 1 406.530 2.938 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1)c1ccncc1 ZINC000805806958 1079283240 /nfs/dbraw/zinc/28/32/40/1079283240.db2.gz XLNNNYYYKGDXOZ-FGZHOGPDSA-N 1 1 406.530 2.938 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805814752 1079287863 /nfs/dbraw/zinc/28/78/63/1079287863.db2.gz GLZQGEFRTSUUTJ-IRLDBZIGSA-N 1 1 406.530 2.796 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)c1ccncc1 ZINC000805815185 1079289088 /nfs/dbraw/zinc/28/90/88/1079289088.db2.gz ZQLXUYGVNNVATD-JOCHJYFZSA-N 1 1 422.529 2.558 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1)c1ccncc1 ZINC000805815185 1079289094 /nfs/dbraw/zinc/28/90/94/1079289094.db2.gz ZQLXUYGVNNVATD-JOCHJYFZSA-N 1 1 422.529 2.558 20 30 HFEDMO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H]([NH+]2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000787685606 1076911151 /nfs/dbraw/zinc/91/11/51/1076911151.db2.gz FPXSKXDZMRJNKH-DENIHFKCSA-N 1 1 418.513 2.580 20 30 HFEDMO COc1ccc(CNC(=O)N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)cc1C#N ZINC000746731591 1077072706 /nfs/dbraw/zinc/07/27/06/1077072706.db2.gz SALJDEUNGVRXPC-SFHVURJKSA-N 1 1 407.518 2.577 20 30 HFEDMO COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NCc3ccc(OC)c(C#N)c3)C2)cc(OC)c1 ZINC000746784989 1077397798 /nfs/dbraw/zinc/39/77/98/1077397798.db2.gz JSAHORPBBRZJOI-LJQANCHMSA-N 1 1 424.501 2.658 20 30 HFEDMO COc1cc(C[N@H+]2CC[C@@H](NC(=O)NCc3ccc(OC)c(C#N)c3)C2)cc(OC)c1 ZINC000746784989 1077397804 /nfs/dbraw/zinc/39/78/04/1077397804.db2.gz JSAHORPBBRZJOI-LJQANCHMSA-N 1 1 424.501 2.658 20 30 HFEDMO C#CCn1ccc(C[N@H+](CC)C[C@@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000789325534 1077520903 /nfs/dbraw/zinc/52/09/03/1077520903.db2.gz GTWWQEFBWRIKCU-QGZVFWFLSA-N 1 1 410.287 2.680 20 30 HFEDMO C#CCn1ccc(C[N@@H+](CC)C[C@@H](O)COc2cc(F)cc(Br)c2)n1 ZINC000789325534 1077520907 /nfs/dbraw/zinc/52/09/07/1077520907.db2.gz GTWWQEFBWRIKCU-QGZVFWFLSA-N 1 1 410.287 2.680 20 30 HFEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746806111 1077556234 /nfs/dbraw/zinc/55/62/34/1077556234.db2.gz AWDPPVKFQCJEKA-HXUWFJFHSA-N 1 1 423.488 2.899 20 30 HFEDMO CCOc1ccc(C#N)cc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792086815 1077709560 /nfs/dbraw/zinc/70/95/60/1077709560.db2.gz ZRIHTLNZYGBZGO-UHFFFAOYSA-N 1 1 402.495 2.838 20 30 HFEDMO CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000792214903 1077767727 /nfs/dbraw/zinc/76/77/27/1077767727.db2.gz ANQZDFPVUILSNO-KRWDZBQOSA-N 1 1 404.486 2.550 20 30 HFEDMO Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000789739242 1077772977 /nfs/dbraw/zinc/77/29/77/1077772977.db2.gz JSDWKBRMBKYGNN-NQIIRXRSSA-N 1 1 405.506 2.538 20 30 HFEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)CC[NH2+][C@H](C)c2nnnn2C2CC2)c1C#N ZINC000792475513 1077874364 /nfs/dbraw/zinc/87/43/64/1077874364.db2.gz OVZHYUOBPLYLIA-CQSZACIVSA-N 1 1 422.493 2.619 20 30 HFEDMO COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1NCc1ccc(C#N)s1 ZINC001170198933 1077912695 /nfs/dbraw/zinc/91/26/95/1077912695.db2.gz DMLGEUPBXRFGFU-AWEZNQCLSA-N 1 1 402.520 2.732 20 30 HFEDMO C=CC[C@]1(C(=O)NC[C@@H](C(C)C)[NH+]2CCOCC2)CCCN1C(=O)OC(C)(C)C ZINC000790249054 1077976969 /nfs/dbraw/zinc/97/69/69/1077976969.db2.gz AOFCAIQNJNIKPK-PGRDOPGGSA-N 1 1 409.571 2.805 20 30 HFEDMO C[C@H](C#N)Oc1ccccc1NC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000780669934 1077998842 /nfs/dbraw/zinc/99/88/42/1077998842.db2.gz IJYRGERGPXNTPK-QGZVFWFLSA-N 1 1 421.501 2.687 20 30 HFEDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000806456885 1079727937 /nfs/dbraw/zinc/72/79/37/1079727937.db2.gz YTWSIQURCLIKKV-CQSZACIVSA-N 1 1 424.486 2.583 20 30 HFEDMO CN1CC[NH+](CCCOc2ccc(NC(=O)c3ccc(C#N)c(Cl)n3)cc2)CC1 ZINC001130742468 1080006740 /nfs/dbraw/zinc/00/67/40/1080006740.db2.gz YRKAHTFYLRYCEO-UHFFFAOYSA-N 1 1 413.909 2.875 20 30 HFEDMO CCOC(=O)C1=C(Nc2ncc3c(c2C#N)N(Cc2ccccc2)CC3)CC[NH2+]C1 ZINC001170514071 1080100165 /nfs/dbraw/zinc/10/01/65/1080100165.db2.gz PIBZCLFAKAKVTQ-UHFFFAOYSA-N 1 1 403.486 2.738 20 30 HFEDMO CN(C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000807247794 1080404682 /nfs/dbraw/zinc/40/46/82/1080404682.db2.gz FQTNCWKBRKYETA-GOSISDBHSA-N 1 1 408.527 2.598 20 30 HFEDMO N#CCOc1cccc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000807354730 1080516771 /nfs/dbraw/zinc/51/67/71/1080516771.db2.gz HXVFIMLRCLICTL-DEOSSOPVSA-N 1 1 418.497 2.652 20 30 HFEDMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1ccc(C(=O)OC)nc1C#N ZINC001170522327 1080539930 /nfs/dbraw/zinc/53/99/30/1080539930.db2.gz JEOZALCTLUNPCM-UHFFFAOYSA-N 1 1 420.469 2.875 20 30 HFEDMO CCOC(=O)C1=C(Nc2ccc(C(=O)OC)nc2C#N)CC[N@H+](Cc2ccccc2)C1 ZINC001170522327 1080539939 /nfs/dbraw/zinc/53/99/39/1080539939.db2.gz JEOZALCTLUNPCM-UHFFFAOYSA-N 1 1 420.469 2.875 20 30 HFEDMO CCOC(=O)C1=C(Nc2ccc(C(=O)OC)nc2C#N)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522327 1080539944 /nfs/dbraw/zinc/53/99/44/1080539944.db2.gz JEOZALCTLUNPCM-UHFFFAOYSA-N 1 1 420.469 2.875 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)N(C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000807466585 1080644284 /nfs/dbraw/zinc/64/42/84/1080644284.db2.gz XMYILWVVWIHWSW-ILBGXUMGSA-N 1 1 405.542 2.899 20 30 HFEDMO C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000807466588 1080644316 /nfs/dbraw/zinc/64/43/16/1080644316.db2.gz XMYILWVVWIHWSW-ZCYQVOJMSA-N 1 1 405.542 2.899 20 30 HFEDMO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000807543090 1080758843 /nfs/dbraw/zinc/75/88/43/1080758843.db2.gz BCOBMXNIZRCVOJ-AOIWGVFYSA-N 1 1 406.486 2.695 20 30 HFEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(OC)cc(C#N)n1)CC2 ZINC001164714306 720122001 /nfs/dbraw/zinc/12/20/01/720122001.db2.gz BTGVJYJZLFZRGV-HXUWFJFHSA-N 1 1 407.518 2.864 20 30 HFEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(C3(C#N)CCOCC3)cn1)C2 ZINC001164816239 720156581 /nfs/dbraw/zinc/15/65/81/720156581.db2.gz KGWLVMNJVAKHGH-XUZZJYLKSA-N 1 1 410.562 2.838 20 30 HFEDMO Cc1cnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164746880 720742056 /nfs/dbraw/zinc/74/20/56/720742056.db2.gz YUORESNZHKTFIQ-UXHICEINSA-N 1 1 407.594 2.751 20 30 HFEDMO N#Cc1c(Cl)c2ccccc2nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746336 720753919 /nfs/dbraw/zinc/75/39/19/720753919.db2.gz XORPHNWLMPVUMU-GJZGRUSLSA-N 1 1 406.877 2.892 20 30 HFEDMO CC1(C)CCCc2cc(C#N)c(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nc21 ZINC001164742725 720804599 /nfs/dbraw/zinc/80/45/99/720804599.db2.gz DCZSZLRKYWAXJH-RBUKOAKNSA-N 1 1 404.518 2.699 20 30 HFEDMO N#Cc1cc2c(nc1N1CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C1)CCCC2 ZINC001164742511 720846633 /nfs/dbraw/zinc/84/66/33/720846633.db2.gz HEGWTXOJIZEJBD-MQSCRBSSSA-N 1 1 417.561 2.803 20 30 HFEDMO Cc1cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc(C#N)n1 ZINC001164753482 720893817 /nfs/dbraw/zinc/89/38/17/720893817.db2.gz HBLRZPDLWHEBBW-URXFXBBRSA-N 1 1 418.545 2.807 20 30 HFEDMO Cc1nc(C#N)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753334 720904288 /nfs/dbraw/zinc/90/42/88/720904288.db2.gz GNCBMHDGMGUZOT-XUZZJYLKSA-N 1 1 418.545 2.807 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(Cl)nc(C#N)c4)C[C@@H]3C2)cn1 ZINC001164773266 721125227 /nfs/dbraw/zinc/12/52/27/721125227.db2.gz XQDQMMLRGYVANP-CABCVRRESA-N 1 1 406.868 2.843 20 30 HFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(Cl)nc1C#N)CC2 ZINC001164788739 721453843 /nfs/dbraw/zinc/45/38/43/721453843.db2.gz TZWYJGBYEGNJFN-KRWDZBQOSA-N 1 1 419.957 2.736 20 30 HFEDMO N#Cc1c[nH]c2nc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)ncc12 ZINC001164906228 721717335 /nfs/dbraw/zinc/71/73/35/721717335.db2.gz LJZTXFUHQKXBKQ-FQEVSTJZSA-N 1 1 409.444 2.962 20 30 HFEDMO COC(=O)c1cc(C#N)cnc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165030165 721829415 /nfs/dbraw/zinc/82/94/15/721829415.db2.gz YDIDZNGZJIWWMQ-WMQCIHAUSA-N 1 1 405.502 2.872 20 30 HFEDMO CN(C)CC[N@H+]1CC[C@@H]2[C@H]1CCN2c1ccc(COc2ccc(CC#N)cc2)cn1 ZINC001164935101 721881111 /nfs/dbraw/zinc/88/11/11/721881111.db2.gz VVMCIFGBVGZYRM-DHIUTWEWSA-N 1 1 405.546 2.941 20 30 HFEDMO C[NH+](C)CCN1CC[C@@H]2[C@H]1CCN2c1ccc(COc2ccc(CC#N)cc2)cn1 ZINC001164935101 721881113 /nfs/dbraw/zinc/88/11/13/721881113.db2.gz VVMCIFGBVGZYRM-DHIUTWEWSA-N 1 1 405.546 2.941 20 30 HFEDMO C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000790629502 1078067917 /nfs/dbraw/zinc/06/79/17/1078067917.db2.gz OJNGRSZUSUKTDM-WZONZLPQSA-N 1 1 420.598 2.617 20 30 HFEDMO C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000790629502 1078067921 /nfs/dbraw/zinc/06/79/21/1078067921.db2.gz OJNGRSZUSUKTDM-WZONZLPQSA-N 1 1 420.598 2.617 20 30 HFEDMO C=CCc1cc(CN2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc(OC)c1O ZINC000793603810 1078222160 /nfs/dbraw/zinc/22/21/60/1078222160.db2.gz LTXWLODGMQGSHK-SFHVURJKSA-N 1 1 405.539 2.770 20 30 HFEDMO C=CCc1cc(CN2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc(OC)c1O ZINC000793603810 1078222163 /nfs/dbraw/zinc/22/21/63/1078222163.db2.gz LTXWLODGMQGSHK-SFHVURJKSA-N 1 1 405.539 2.770 20 30 HFEDMO C=CC[C@]1(C(=O)NC2CCN(c3[nH+]ccn3C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000793945973 1078354907 /nfs/dbraw/zinc/35/49/07/1078354907.db2.gz DDQIAYUOZAXHSF-JOCHJYFZSA-N 1 1 417.554 2.851 20 30 HFEDMO N#Cc1ccc(CNc2nc(NCc3ccc(C#N)cn3)c3c([nH+]2)CCS3)nc1 ZINC000804630565 1078684673 /nfs/dbraw/zinc/68/46/73/1078684673.db2.gz FJHSRBFMMZKHRG-UHFFFAOYSA-N 1 1 400.471 2.882 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000805031571 1078843875 /nfs/dbraw/zinc/84/38/75/1078843875.db2.gz JZTYJBBCRKHMEN-JOCHJYFZSA-N 1 1 405.546 2.528 20 30 HFEDMO C=CCn1c(Cc2ccccc2)nn(CN(C)[C@H](C)C[NH+]2CCOCC2)c1=S ZINC000788379446 1077135295 /nfs/dbraw/zinc/13/52/95/1077135295.db2.gz YNYBQZIHYRUWCK-GOSISDBHSA-N 1 1 401.580 2.801 20 30 HFEDMO COc1ccc(CCS(=O)(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000788591018 1077214964 /nfs/dbraw/zinc/21/49/64/1077214964.db2.gz DZDYKCOMXXHAOY-UHFFFAOYSA-N 1 1 413.543 2.647 20 30 HFEDMO COc1ccc(CCS(=O)(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000788591018 1077214966 /nfs/dbraw/zinc/21/49/66/1077214966.db2.gz DZDYKCOMXXHAOY-UHFFFAOYSA-N 1 1 413.543 2.647 20 30 HFEDMO CCOC(=O)Nc1ccc(NC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)cc1C#N ZINC000788648450 1077224616 /nfs/dbraw/zinc/22/46/16/1077224616.db2.gz YTERJVWABMGHLM-UHFFFAOYSA-N 1 1 403.483 2.701 20 30 HFEDMO CCOC(=O)Nc1ccc(NC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)cc1C#N ZINC000788648450 1077224623 /nfs/dbraw/zinc/22/46/23/1077224623.db2.gz YTERJVWABMGHLM-UHFFFAOYSA-N 1 1 403.483 2.701 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000789165685 1077440616 /nfs/dbraw/zinc/44/06/16/1077440616.db2.gz ACXSCCNKCDTFJS-IRLDBZIGSA-N 1 1 423.561 2.585 20 30 HFEDMO C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)ccc1F ZINC000746846274 1077728505 /nfs/dbraw/zinc/72/85/05/1077728505.db2.gz CVPXYEKIGPZBSQ-JZXOWHBKSA-N 1 1 423.554 2.767 20 30 HFEDMO C=CC[C@]1(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790134650 1077953622 /nfs/dbraw/zinc/95/36/22/1077953622.db2.gz UCXKZKATFYFBLO-XMSQKQJNSA-N 1 1 407.555 2.655 20 30 HFEDMO COCC[N@H+]1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C(C)(C)C1 ZINC001130635503 1079724641 /nfs/dbraw/zinc/72/46/41/1079724641.db2.gz CRIQQQPSWASDJS-QGZVFWFLSA-N 1 1 410.559 2.533 20 30 HFEDMO COc1ccc(N2CC[NH+](C[C@H](O)COc3cc(Cl)cc(C#N)c3)CC2)cc1 ZINC000806632863 1079888547 /nfs/dbraw/zinc/88/85/47/1079888547.db2.gz ULWZNYPXIINDGT-IBGZPJMESA-N 1 1 401.894 2.782 20 30 HFEDMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807246456 1080403501 /nfs/dbraw/zinc/40/35/01/1080403501.db2.gz PRLMUMBPHMCHMG-SFHVURJKSA-N 1 1 424.570 2.997 20 30 HFEDMO C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807249300 1080409538 /nfs/dbraw/zinc/40/95/38/1080409538.db2.gz PHSLFJWPLGHBIU-ICSRJNTNSA-N 1 1 422.554 2.846 20 30 HFEDMO C#CCOc1cccc(NC(=O)C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000807354651 1080517111 /nfs/dbraw/zinc/51/71/11/1080517111.db2.gz FBQOHYMFCSTSJJ-VWLOTQADSA-N 1 1 417.509 2.762 20 30 HFEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000807543739 1080760467 /nfs/dbraw/zinc/76/04/67/1080760467.db2.gz KZTVZXSGQQCFNM-QFBILLFUSA-N 1 1 409.461 2.555 20 30 HFEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000807543737 1080760526 /nfs/dbraw/zinc/76/05/26/1080760526.db2.gz KZTVZXSGQQCFNM-LPHOPBHVSA-N 1 1 409.461 2.555 20 30 HFEDMO C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)[C@H]1c1cccs1 ZINC000807582973 1080795338 /nfs/dbraw/zinc/79/53/38/1080795338.db2.gz XIFXSGBPXWWKOV-KXBFYZLASA-N 1 1 414.506 2.574 20 30 HFEDMO C=CCNC(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840740 720603289 /nfs/dbraw/zinc/60/32/89/720603289.db2.gz QMKWJGOVNHQLMQ-SVFBPWRDSA-N 1 1 408.550 2.572 20 30 HFEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc4c(cc3C#N)COCC4)CC[C@@H]21 ZINC001164837759 720630076 /nfs/dbraw/zinc/63/00/76/720630076.db2.gz JHHYXLXFVIRILT-CBQOVEMMSA-N 1 1 406.534 2.600 20 30 HFEDMO N#Cc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc2ccc(Cl)cc12 ZINC001164750494 720800168 /nfs/dbraw/zinc/80/01/68/720800168.db2.gz VVUAQQKUMXFGFF-DLBZAZTESA-N 1 1 406.877 2.892 20 30 HFEDMO CC1(C)CCCc2cc(C#N)c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc21 ZINC001164742723 720804349 /nfs/dbraw/zinc/80/43/49/720804349.db2.gz DCZSZLRKYWAXJH-OALUTQOASA-N 1 1 404.518 2.699 20 30 HFEDMO N#CC1(c2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2)CCC1 ZINC001164745126 720828261 /nfs/dbraw/zinc/82/82/61/720828261.db2.gz WMBJYNGOPROJDP-BAGYTPMASA-N 1 1 417.561 2.998 20 30 HFEDMO N#Cc1cc(C(F)(F)N2CCc3[nH+]cc(Cn4cccn4)n3CC2)cc(Cl)n1 ZINC001164862729 721032081 /nfs/dbraw/zinc/03/20/81/721032081.db2.gz PGGMPMBNJKSKRD-UHFFFAOYSA-N 1 1 403.824 2.656 20 30 HFEDMO N#Cc1cnc(Cl)cc1C(F)(F)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164863846 721032333 /nfs/dbraw/zinc/03/23/33/721032333.db2.gz VABBBTKXTOJURV-UHFFFAOYSA-N 1 1 403.824 2.656 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4c(C#N)cnc5cnc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164774300 721087209 /nfs/dbraw/zinc/08/72/09/721087209.db2.gz ZRRFTWLIOMGMSK-RDJZCZTQSA-N 1 1 407.909 2.847 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(C#N)ccc4NC(=O)C(C)(C)C)C[C@H]3C2)cn1 ZINC001164773347 721173500 /nfs/dbraw/zinc/17/35/00/721173500.db2.gz WMOQAHAFDYKDNW-QZTJIDSGSA-N 1 1 421.549 2.630 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(C#N)c5cc([N+](=O)[O-])ccc5n4)C[C@H]3C2)cn1 ZINC001164761026 721236594 /nfs/dbraw/zinc/23/65/94/721236594.db2.gz HATIGMGRQSEYFM-FUHWJXTLSA-N 1 1 417.473 2.706 20 30 HFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3C#N)C2)C1 ZINC001164776837 721340871 /nfs/dbraw/zinc/34/08/71/721340871.db2.gz DETTYSJCARYSLL-HXUWFJFHSA-N 1 1 416.913 2.726 20 30 HFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3C#N)C2)C1 ZINC001164776837 721340877 /nfs/dbraw/zinc/34/08/77/721340877.db2.gz DETTYSJCARYSLL-HXUWFJFHSA-N 1 1 416.913 2.726 20 30 HFEDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc5c(cc4C#N)CCCC5)C3)O2)CC1 ZINC001164893049 721434228 /nfs/dbraw/zinc/43/42/28/721434228.db2.gz IVBCXMSJIQHOSI-QPPBQGQZSA-N 1 1 409.578 2.597 20 30 HFEDMO CCOC(=O)c1cc(C)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N ZINC001164900190 721523542 /nfs/dbraw/zinc/52/35/42/721523542.db2.gz PATMDNUVCBZZLP-MJGOQNOKSA-N 1 1 424.476 2.919 20 30 HFEDMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cc(Cl)ncc2C#N)CC1 ZINC001165011582 721738279 /nfs/dbraw/zinc/73/82/79/721738279.db2.gz RRAWKQOYJAOBIB-UHFFFAOYSA-N 1 1 411.884 2.675 20 30 HFEDMO CSc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CCN(C)C)c1C#N ZINC001164927397 721870017 /nfs/dbraw/zinc/87/00/17/721870017.db2.gz UUZIDXCTAHIGGZ-MOPGFXCFSA-N 1 1 408.575 2.952 20 30 HFEDMO CSc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3CCN(C)C)c1C#N ZINC001164927397 721870020 /nfs/dbraw/zinc/87/00/20/721870020.db2.gz UUZIDXCTAHIGGZ-MOPGFXCFSA-N 1 1 408.575 2.952 20 30 HFEDMO CC(N=Nc1ccccc1S(=O)(=O)N(C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000793182721 1078095659 /nfs/dbraw/zinc/09/56/59/1078095659.db2.gz MVKTYVHTBKAHLC-HXUWFJFHSA-N 1 1 416.547 2.626 20 30 HFEDMO CC(N=Nc1ccccc1S(=O)(=O)N(C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000793182721 1078095662 /nfs/dbraw/zinc/09/56/62/1078095662.db2.gz MVKTYVHTBKAHLC-HXUWFJFHSA-N 1 1 416.547 2.626 20 30 HFEDMO N#CCOc1ccccc1C(=O)N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804446697 1078513167 /nfs/dbraw/zinc/51/31/67/1078513167.db2.gz ASDOAPORUBVDCR-OAQYLSRUSA-N 1 1 404.514 2.621 20 30 HFEDMO N#CCOc1ccccc1C(=O)N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000804446696 1078513226 /nfs/dbraw/zinc/51/32/26/1078513226.db2.gz ASDOAPORUBVDCR-NRFANRHFSA-N 1 1 404.514 2.621 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805805795 1079281785 /nfs/dbraw/zinc/28/17/85/1079281785.db2.gz FFRSUBIEROAAGZ-XUZZJYLKSA-N 1 1 406.530 2.843 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)c1ccncc1 ZINC000805807253 1079282666 /nfs/dbraw/zinc/28/26/66/1079282666.db2.gz CZVGTIFFOMRGRS-QFIPXVFZSA-N 1 1 406.530 2.858 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1)c1ccncc1 ZINC000805806957 1079283120 /nfs/dbraw/zinc/28/31/20/1079283120.db2.gz XLNNNYYYKGDXOZ-FCHUYYIVSA-N 1 1 406.530 2.938 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1)c1ccncc1 ZINC000805806957 1079283124 /nfs/dbraw/zinc/28/31/24/1079283124.db2.gz XLNNNYYYKGDXOZ-FCHUYYIVSA-N 1 1 406.530 2.938 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805814123 1079288280 /nfs/dbraw/zinc/28/82/80/1079288280.db2.gz PTEZEUCVIQUSOU-COPCDDAFSA-N 1 1 406.530 2.842 20 30 HFEDMO C[C@H](NC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000787350308 1076791674 /nfs/dbraw/zinc/79/16/74/1076791674.db2.gz QSMIWJBKPLNLDQ-UUOWRZLLSA-N 1 1 404.514 2.764 20 30 HFEDMO C=C(Br)CNC(=O)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000787611811 1076878410 /nfs/dbraw/zinc/87/84/10/1076878410.db2.gz WGCTVAROFUSAMX-HNNXBMFYSA-N 1 1 414.731 2.618 20 30 HFEDMO C#CCN(C(=O)C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1)C1CCCC1 ZINC000787598046 1076887078 /nfs/dbraw/zinc/88/70/78/1076887078.db2.gz KUDVTQRRJKZHOJ-NRFANRHFSA-N 1 1 411.546 2.743 20 30 HFEDMO COc1ccc(CNC(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1C#N ZINC000746712110 1077003851 /nfs/dbraw/zinc/00/38/51/1077003851.db2.gz DIRUKWZBJAVXEL-UHFFFAOYSA-N 1 1 421.545 2.574 20 30 HFEDMO CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC000788273770 1077094997 /nfs/dbraw/zinc/09/49/97/1077094997.db2.gz BKPASSWIDJKZOI-VQTJNVASSA-N 1 1 414.550 2.864 20 30 HFEDMO C#CCNC(=O)C[N@@H+]1CCCC[C@H]1[C@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000788275538 1077095394 /nfs/dbraw/zinc/09/53/94/1077095394.db2.gz NLWOVYORNWFICO-SFTDATJTSA-N 1 1 413.562 2.974 20 30 HFEDMO CCOC(=O)Nc1ccc(NC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000788648447 1077224639 /nfs/dbraw/zinc/22/46/39/1077224639.db2.gz YNVPTTJKPDNXEN-GASCZTMLSA-N 1 1 403.483 2.700 20 30 HFEDMO CCOC(=O)Nc1ccc(NC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1C#N ZINC000788648447 1077224644 /nfs/dbraw/zinc/22/46/44/1077224644.db2.gz YNVPTTJKPDNXEN-GASCZTMLSA-N 1 1 403.483 2.700 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000789062718 1077395042 /nfs/dbraw/zinc/39/50/42/1077395042.db2.gz PSNXWPFPWYNXCQ-UNMCSNQZSA-N 1 1 423.561 2.727 20 30 HFEDMO C#CCC[NH+]1CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000792119861 1077704255 /nfs/dbraw/zinc/70/42/55/1077704255.db2.gz GVSWWAIDYRKPPP-LJQANCHMSA-N 1 1 403.498 2.602 20 30 HFEDMO CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)CC1 ZINC000792209883 1077765082 /nfs/dbraw/zinc/76/50/82/1077765082.db2.gz XHJPZQSWLTTXPT-NRFANRHFSA-N 1 1 411.546 2.829 20 30 HFEDMO COC(OC)c1c(C[N@H+]2CC[C@@H](CO)C2)ccnc1NCc1ccc(C#N)s1 ZINC001170198934 1077912719 /nfs/dbraw/zinc/91/27/19/1077912719.db2.gz DMLGEUPBXRFGFU-CQSZACIVSA-N 1 1 402.520 2.732 20 30 HFEDMO COC(=O)C1(C#N)CC[NH+](CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 ZINC001170324570 1077943823 /nfs/dbraw/zinc/94/38/23/1077943823.db2.gz QKRAIISNJLVWSJ-UHFFFAOYSA-N 1 1 409.490 2.597 20 30 HFEDMO C=CC[C@@]1(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCCN1C(=O)OC(C)(C)C ZINC000790219880 1077972918 /nfs/dbraw/zinc/97/29/18/1077972918.db2.gz NLGNEEKVKMFHCZ-GCJKJVERSA-N 1 1 409.571 2.805 20 30 HFEDMO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)c2)s1 ZINC000790275516 1077993875 /nfs/dbraw/zinc/99/38/75/1077993875.db2.gz ZLJPWWQOLTUHIG-OALUTQOASA-N 1 1 408.527 2.646 20 30 HFEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)cn1 ZINC000806456167 1079725698 /nfs/dbraw/zinc/72/56/98/1079725698.db2.gz HCURRNJWNWLCME-AWEZNQCLSA-N 1 1 424.486 2.583 20 30 HFEDMO CCOC(=O)C1C[NH2+]CCC1=Nc1nccc(C#C[Si](C)(C)C)c1C(OC)OC ZINC001170514096 1080101384 /nfs/dbraw/zinc/10/13/84/1080101384.db2.gz QTORCCGXZAZPPX-UHFFFAOYSA-N 1 1 417.582 2.824 20 30 HFEDMO C#CCCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000806916891 1080121081 /nfs/dbraw/zinc/12/10/81/1080121081.db2.gz DABLSTWVLSNDTJ-FUHWJXTLSA-N 1 1 409.452 2.734 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000807465241 1080642358 /nfs/dbraw/zinc/64/23/58/1080642358.db2.gz GWAHEPQWCVFLEU-WXFUMESZSA-N 1 1 405.542 2.803 20 30 HFEDMO COc1cc(C#N)ccc1C[NH+]1CCC(OC)(c2nc(C3CCOCC3)no2)CC1 ZINC000569749813 568510011 /nfs/dbraw/zinc/51/00/11/568510011.db2.gz KUBFVXUXNWQPAI-UHFFFAOYSA-N 1 1 412.490 2.982 20 30 HFEDMO C=CCNC(=O)c1cccnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164697079 719898041 /nfs/dbraw/zinc/89/80/41/719898041.db2.gz JKLFHQKJHZAJNW-UHFFFAOYSA-N 1 1 412.559 2.930 20 30 HFEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3[nH]cc(C#N)c31)CC2 ZINC001164709965 720094015 /nfs/dbraw/zinc/09/40/15/720094015.db2.gz DOGRDRWKEUGXFY-IBGZPJMESA-N 1 1 417.517 2.732 20 30 HFEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1C#N)CC2 ZINC001164709724 720104853 /nfs/dbraw/zinc/10/48/53/720104853.db2.gz CNZUIYZMJQPGRH-SFHVURJKSA-N 1 1 412.925 2.904 20 30 HFEDMO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746347 720625118 /nfs/dbraw/zinc/62/51/18/720625118.db2.gz XYCVIVZTELVWSN-PMACEKPBSA-N 1 1 416.460 2.891 20 30 HFEDMO N#CCc1cnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164749661 720854923 /nfs/dbraw/zinc/85/49/23/720854923.db2.gz NZQKDRYDJYBDML-QWFCFKBJSA-N 1 1 411.941 2.772 20 30 HFEDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(C#N)c4cc(Cl)ccc4n3)CC[C@H]2C1 ZINC001164860799 720886678 /nfs/dbraw/zinc/88/66/78/720886678.db2.gz PEAHJJLXKICGDY-MGPUTAFESA-N 1 1 400.910 2.933 20 30 HFEDMO N#Cc1ccc(C(F)(F)N2CCc3[nH+]cc(Cn4cccn4)n3CC2)nc1Cl ZINC001164861311 721031022 /nfs/dbraw/zinc/03/10/22/721031022.db2.gz GFDNDOPNLPDSMX-UHFFFAOYSA-N 1 1 403.824 2.656 20 30 HFEDMO N#Cc1c(Cl)nccc1C(F)(F)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164861137 721031192 /nfs/dbraw/zinc/03/11/92/721031192.db2.gz CYEAKMVHMNJECU-UHFFFAOYSA-N 1 1 403.824 2.656 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccnc(Cl)c4C#N)C[C@@H]3C2)cn1 ZINC001164765892 721084255 /nfs/dbraw/zinc/08/42/55/721084255.db2.gz KDTYEXZREUJICB-CABCVRRESA-N 1 1 406.868 2.843 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(C#N)c5cc([N+](=O)[O-])ccc5n4)C[C@@H]3C2)cn1 ZINC001164761031 721236442 /nfs/dbraw/zinc/23/64/42/721236442.db2.gz HATIGMGRQSEYFM-WMZOPIPTSA-N 1 1 417.473 2.706 20 30 HFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc(Cl)c3C#N)C2)C1 ZINC001164780005 721340892 /nfs/dbraw/zinc/34/08/92/721340892.db2.gz YEWSVBQJGXICKB-HXUWFJFHSA-N 1 1 416.913 2.726 20 30 HFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc(Cl)c3C#N)C2)C1 ZINC001164780005 721340895 /nfs/dbraw/zinc/34/08/95/721340895.db2.gz YEWSVBQJGXICKB-HXUWFJFHSA-N 1 1 416.913 2.726 20 30 HFEDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)c(F)cc4C#N)C3)O2)CC1 ZINC001164890944 721382045 /nfs/dbraw/zinc/38/20/45/721382045.db2.gz PMWPKTNMOZYTIS-JXFKEZNVSA-N 1 1 407.921 2.511 20 30 HFEDMO Cc1nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c(C#N)c(C)c1Cl ZINC001164884358 721385287 /nfs/dbraw/zinc/38/52/87/721385287.db2.gz AKRGWHJCWXSGMI-AVRDEDQJSA-N 1 1 417.985 2.989 20 30 HFEDMO N#Cc1ccc2ccnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1 ZINC001164912374 721778942 /nfs/dbraw/zinc/77/89/42/721778942.db2.gz LDKQXISLQFMQGL-DEOSSOPVSA-N 1 1 415.497 2.609 20 30 HFEDMO N#Cc1ccc2ccnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1 ZINC001164912374 721778945 /nfs/dbraw/zinc/77/89/45/721778945.db2.gz LDKQXISLQFMQGL-DEOSSOPVSA-N 1 1 415.497 2.609 20 30 HFEDMO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045021 721961262 /nfs/dbraw/zinc/96/12/62/721961262.db2.gz RYJUELQQJYBLIB-LJQANCHMSA-N 1 1 423.517 2.626 20 30 HFEDMO C=CC[C@@]1(C(=O)NCC2CCN(CC[NH+](C)C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790638403 1078071558 /nfs/dbraw/zinc/07/15/58/1078071558.db2.gz ANFFATKDNFABHV-QHCPKHFHSA-N 1 1 422.614 2.722 20 30 HFEDMO COCC[N@@H+](C)CCCC1CCN(Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 ZINC000793511460 1078195347 /nfs/dbraw/zinc/19/53/47/1078195347.db2.gz KYZOMMGSENQNDQ-UHFFFAOYSA-N 1 1 400.567 2.627 20 30 HFEDMO Cc1ncc(S(=O)(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1C#N ZINC000794027066 1078368996 /nfs/dbraw/zinc/36/89/96/1078368996.db2.gz RVTRYLKOSYFBIB-UHFFFAOYSA-N 1 1 411.531 2.595 20 30 HFEDMO C#CCNc1nc(N[C@@H](C)Cc2ccncc2)nc(N[C@@H](C)Cc2ccncc2)[nH+]1 ZINC000804534016 1078571470 /nfs/dbraw/zinc/57/14/70/1078571470.db2.gz CVCRVJSMRSGRFB-IRXDYDNUSA-N 1 1 402.506 2.793 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000805808628 1079283733 /nfs/dbraw/zinc/28/37/33/1079283733.db2.gz HXPMQCXSOACECQ-UGKGYDQZSA-N 1 1 406.530 2.938 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1ccncc1 ZINC000787623462 1076882525 /nfs/dbraw/zinc/88/25/25/1076882525.db2.gz ADZZICCMCRTQIY-NRFANRHFSA-N 1 1 406.530 2.768 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1)c1ccncc1 ZINC000787631647 1076884724 /nfs/dbraw/zinc/88/47/24/1076884724.db2.gz MCTAROIZJGKJQC-FGZHOGPDSA-N 1 1 406.530 2.768 20 30 HFEDMO COc1ccc(CNC(=O)N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000746731785 1077071616 /nfs/dbraw/zinc/07/16/16/1077071616.db2.gz UONDPFRRHCGWMD-VGOFRKELSA-N 1 1 408.502 2.656 20 30 HFEDMO COc1ccc(CNC(=O)N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000746731785 1077071622 /nfs/dbraw/zinc/07/16/22/1077071622.db2.gz UONDPFRRHCGWMD-VGOFRKELSA-N 1 1 408.502 2.656 20 30 HFEDMO C=CCn1c(-c2ccccc2OC)nn(CN(C)[C@H](C)C[NH+]2CCOCC2)c1=S ZINC000788379354 1077135685 /nfs/dbraw/zinc/13/56/85/1077135685.db2.gz XDKPRRLOMUGQOY-QGZVFWFLSA-N 1 1 417.579 2.886 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)n1 ZINC000789220814 1077448876 /nfs/dbraw/zinc/44/88/76/1077448876.db2.gz SOGMCRZBTKSHID-DEOSSOPVSA-N 1 1 423.561 2.729 20 30 HFEDMO C#CCn1ccc(CN(CC)CC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)n1 ZINC000789329535 1077523159 /nfs/dbraw/zinc/52/31/59/1077523159.db2.gz MRGRQOSGIVMIBD-UHFFFAOYSA-N 1 1 421.589 2.806 20 30 HFEDMO O=C(OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccnn1CC(F)F ZINC000789452880 1077579784 /nfs/dbraw/zinc/57/97/84/1077579784.db2.gz KHAMRQDHPVVELF-UHFFFAOYSA-N 1 1 403.429 2.579 20 30 HFEDMO CCn1cc([C@H](O)C[N@H+](CC(=O)Nc2cccc(C#N)c2)Cc2ccccc2)cn1 ZINC000792376757 1077843054 /nfs/dbraw/zinc/84/30/54/1077843054.db2.gz MUSPEFPLNJSZMO-JOCHJYFZSA-N 1 1 403.486 2.949 20 30 HFEDMO CCn1cc([C@H](O)C[N@@H+](CC(=O)Nc2cccc(C#N)c2)Cc2ccccc2)cn1 ZINC000792376757 1077843063 /nfs/dbraw/zinc/84/30/63/1077843063.db2.gz MUSPEFPLNJSZMO-JOCHJYFZSA-N 1 1 403.486 2.949 20 30 HFEDMO CCn1cc([C@H](O)C[N@H+](CC(=O)NC2(C#N)CCCCC2)Cc2ccccc2)cn1 ZINC000792377181 1077843652 /nfs/dbraw/zinc/84/36/52/1077843652.db2.gz RBKVCJFHRYAVHK-OAQYLSRUSA-N 1 1 409.534 2.781 20 30 HFEDMO CCn1cc([C@H](O)C[N@@H+](CC(=O)NC2(C#N)CCCCC2)Cc2ccccc2)cn1 ZINC000792377181 1077843660 /nfs/dbraw/zinc/84/36/60/1077843660.db2.gz RBKVCJFHRYAVHK-OAQYLSRUSA-N 1 1 409.534 2.781 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n1 ZINC000790103974 1077950331 /nfs/dbraw/zinc/95/03/31/1077950331.db2.gz FFLKULRQXATSLW-FQEVSTJZSA-N 1 1 423.561 2.998 20 30 HFEDMO CNC(=O)CN1C(=O)CC[C@]12CCC[N@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170384445 1077956301 /nfs/dbraw/zinc/95/63/01/1077956301.db2.gz YBOIHQHKYPIMJR-BOYUCYPVSA-N 1 1 408.546 2.594 20 30 HFEDMO C#CCN(C(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CCCC1 ZINC000806312052 1079565205 /nfs/dbraw/zinc/56/52/05/1079565205.db2.gz QMNKMHQAKWZYBH-GOSISDBHSA-N 1 1 421.463 2.800 20 30 HFEDMO C#CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CCCC1 ZINC000806312052 1079565213 /nfs/dbraw/zinc/56/52/13/1079565213.db2.gz QMNKMHQAKWZYBH-GOSISDBHSA-N 1 1 421.463 2.800 20 30 HFEDMO C#CCCCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000806916890 1080120199 /nfs/dbraw/zinc/12/01/99/1080120199.db2.gz DABLSTWVLSNDTJ-AEFFLSMTSA-N 1 1 409.452 2.734 20 30 HFEDMO CCOC(=O)C1C[NH2+]CCC1=Nc1ccc(C(=O)N(CCC#N)c2ccccc2)cn1 ZINC001170516710 1080240377 /nfs/dbraw/zinc/24/03/77/1080240377.db2.gz VKICBCPLKLTVCW-UHFFFAOYSA-N 1 1 419.485 2.864 20 30 HFEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C(=O)NCc1cc(C#N)ccc1F ZINC000807113160 1080291617 /nfs/dbraw/zinc/29/16/17/1080291617.db2.gz ACQMENYYRISSEC-YPGOJHLTSA-N 1 1 422.504 2.586 20 30 HFEDMO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807249930 1080407318 /nfs/dbraw/zinc/40/73/18/1080407318.db2.gz LZBLDPKRNFGQMU-QGZVFWFLSA-N 1 1 410.543 2.703 20 30 HFEDMO Cc1[nH+]ccn1CCCN(C)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807249377 1080409524 /nfs/dbraw/zinc/40/95/24/1080409524.db2.gz RRSXLHSJHRLGAC-UHFFFAOYSA-N 1 1 421.526 2.957 20 30 HFEDMO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC[N@H+]1C ZINC000807250376 1080410253 /nfs/dbraw/zinc/41/02/53/1080410253.db2.gz ZCYLIOXKPWCJLT-MAUKXSAKSA-N 1 1 410.543 2.844 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000807335222 1080534529 /nfs/dbraw/zinc/53/45/29/1080534529.db2.gz AARWRPZVSHGSCH-JOCHJYFZSA-N 1 1 418.541 2.518 20 30 HFEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000807543741 1080760320 /nfs/dbraw/zinc/76/03/20/1080760320.db2.gz KZTVZXSGQQCFNM-VQIMIIECSA-N 1 1 409.461 2.555 20 30 HFEDMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)[C@H]1c1cccs1 ZINC000807582964 1080795481 /nfs/dbraw/zinc/79/54/81/1080795481.db2.gz XIFXSGBPXWWKOV-BEFAXECRSA-N 1 1 414.506 2.574 20 30 HFEDMO CNC(=O)C[N@H+]1CCCC12CCN(c1ccc([C@@H](C#N)c3ccc(C)cc3)nn1)CC2 ZINC001164685184 719699267 /nfs/dbraw/zinc/69/92/67/719699267.db2.gz RWXZCWOPYJVMFE-FQEVSTJZSA-N 1 1 418.545 2.621 20 30 HFEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc3c(C#N)c[nH]c3n1)CC2 ZINC001164712662 720132794 /nfs/dbraw/zinc/13/27/94/720132794.db2.gz OAKVEFDBUOZEFU-IBGZPJMESA-N 1 1 417.517 2.732 20 30 HFEDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)c(F)cc1C#N)CCC2 ZINC001164815466 720209356 /nfs/dbraw/zinc/20/93/56/720209356.db2.gz ZQRHULVKODWHRM-UHFFFAOYSA-N 1 1 404.877 2.553 20 30 HFEDMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc([C@H](C#N)c4ccc(C)cc4)nn3)CC[C@@H]2C1 ZINC001164854783 720836671 /nfs/dbraw/zinc/83/66/71/720836671.db2.gz SHMPPQQGLSPNJW-MQSCRBSSSA-N 1 1 421.545 2.614 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)cc4C#N)C[C@H]3C2)cn1 ZINC001164770166 721172943 /nfs/dbraw/zinc/17/29/43/721172943.db2.gz NZYVDRCEAFFQJZ-GOEBONIOSA-N 1 1 406.868 2.843 20 30 HFEDMO COc1ccnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1C#N ZINC001164779243 721345520 /nfs/dbraw/zinc/34/55/20/721345520.db2.gz ROCPLGZCAHLWTN-QFIPXVFZSA-N 1 1 411.506 2.686 20 30 HFEDMO COc1ccnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1C#N ZINC001164779243 721345524 /nfs/dbraw/zinc/34/55/24/721345524.db2.gz ROCPLGZCAHLWTN-QFIPXVFZSA-N 1 1 411.506 2.686 20 30 HFEDMO Cc1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c(C#N)c(C)c1Cl ZINC001164884363 721385007 /nfs/dbraw/zinc/38/50/07/721385007.db2.gz AKRGWHJCWXSGMI-PGRDOPGGSA-N 1 1 417.985 2.989 20 30 HFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OC)cc(C#N)n1)CC2 ZINC001164785748 721460967 /nfs/dbraw/zinc/46/09/67/721460967.db2.gz NGCHOHUDGPVOAL-FQEVSTJZSA-N 1 1 414.550 2.696 20 30 HFEDMO CCOC(=O)c1cc(C)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N ZINC001164900191 721523920 /nfs/dbraw/zinc/52/39/20/721523920.db2.gz PATMDNUVCBZZLP-PKOBYXMFSA-N 1 1 424.476 2.919 20 30 HFEDMO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[NH+](CCc2ccccn2)CC1 ZINC001165055940 722014766 /nfs/dbraw/zinc/01/47/66/722014766.db2.gz NYOBHNGCTCXMDP-UHFFFAOYSA-N 1 1 422.605 2.857 20 30 HFEDMO CC[C@@H](C#N)Oc1cc(CNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)ccc1OC ZINC000793501397 1078204112 /nfs/dbraw/zinc/20/41/12/1078204112.db2.gz JQZDNOOYQUIKOO-KRWDZBQOSA-N 1 1 422.489 2.842 20 30 HFEDMO CC[NH+](CC)CCOC(=O)c1cccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)c1 ZINC000794040844 1078364339 /nfs/dbraw/zinc/36/43/39/1078364339.db2.gz ARGUECHWQPFUTC-UHFFFAOYSA-N 1 1 416.503 2.561 20 30 HFEDMO CC[N@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000804418600 1078468951 /nfs/dbraw/zinc/46/89/51/1078468951.db2.gz QSOUYWJARSWWHE-SFHVURJKSA-N 1 1 410.543 2.894 20 30 HFEDMO C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000804945658 1078773684 /nfs/dbraw/zinc/77/36/84/1078773684.db2.gz MTZQSYGHOUAVKL-DEOSSOPVSA-N 1 1 404.558 2.868 20 30 HFEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1C ZINC000747230383 1078947594 /nfs/dbraw/zinc/94/75/94/1078947594.db2.gz RFANTDPGSQBCQI-VQTJNVASSA-N 1 1 407.518 2.674 20 30 HFEDMO C[C@H](OC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1(C#N)CCC1 ZINC000787706790 1076920169 /nfs/dbraw/zinc/92/01/69/1076920169.db2.gz SFLCJBGUMCTBTF-MGPUTAFESA-N 1 1 423.435 2.935 20 30 HFEDMO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H]([NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1 ZINC000787731352 1076933819 /nfs/dbraw/zinc/93/38/19/1076933819.db2.gz QGMADLCGHXEZKO-MZKRTTBSSA-N 1 1 414.550 2.629 20 30 HFEDMO CCN1CC[NH+](Cc2ccccc2CNC(=O)NCc2ccc(OC)c(C#N)c2)CC1 ZINC000746712801 1076990942 /nfs/dbraw/zinc/99/09/42/1076990942.db2.gz MUZPADTUGAHLHP-UHFFFAOYSA-N 1 1 421.545 2.704 20 30 HFEDMO CCN1CC[NH+](Cc2ccc(CNC(=O)NCc3ccc(OC)c(C#N)c3)cc2)CC1 ZINC000746712892 1076992116 /nfs/dbraw/zinc/99/21/16/1076992116.db2.gz OYFFPCZKPWAEIN-UHFFFAOYSA-N 1 1 421.545 2.704 20 30 HFEDMO C#CC[NH+]1CCC(C(=O)NCCc2c(CC)[nH]n(Cc3ccccc3C)c2=O)CC1 ZINC000788214370 1077081008 /nfs/dbraw/zinc/08/10/08/1077081008.db2.gz HLIYYHCBABBPMP-NRFANRHFSA-N 1 1 408.546 2.571 20 30 HFEDMO C=CCn1c(-c2ccccc2OC)nn(CN(C)[C@@H](C)C[NH+]2CCOCC2)c1=S ZINC000788379353 1077135678 /nfs/dbraw/zinc/13/56/78/1077135678.db2.gz XDKPRRLOMUGQOY-KRWDZBQOSA-N 1 1 417.579 2.886 20 30 HFEDMO CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000788726874 1077273415 /nfs/dbraw/zinc/27/34/15/1077273415.db2.gz UQMCLMHFPFERJK-FQEVSTJZSA-N 1 1 424.545 2.850 20 30 HFEDMO CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000788726874 1077273420 /nfs/dbraw/zinc/27/34/20/1077273420.db2.gz UQMCLMHFPFERJK-FQEVSTJZSA-N 1 1 424.545 2.850 20 30 HFEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)Cc3cccnc3Br)CC2)cc1 ZINC000791310350 1077382550 /nfs/dbraw/zinc/38/25/50/1077382550.db2.gz YRGKHKMTNUIUMH-UHFFFAOYSA-N 1 1 413.319 2.993 20 30 HFEDMO C=CCc1cc(OC)cc(C[N@@H+]2CCc3c(cccc3S(=O)(=O)N(C)C)C2)c1O ZINC000789469572 1077585597 /nfs/dbraw/zinc/58/55/97/1077585597.db2.gz UFLGMHKVCQNUCM-UHFFFAOYSA-N 1 1 416.543 2.938 20 30 HFEDMO C=CCc1cc(OC)cc(C[N@H+]2CCc3c(cccc3S(=O)(=O)N(C)C)C2)c1O ZINC000789469572 1077585602 /nfs/dbraw/zinc/58/56/02/1077585602.db2.gz UFLGMHKVCQNUCM-UHFFFAOYSA-N 1 1 416.543 2.938 20 30 HFEDMO C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cccc3c2C[N@H+]([C@@H](C)C(C)C)C3)n1 ZINC000789793313 1077798917 /nfs/dbraw/zinc/79/89/17/1077798917.db2.gz HACYPTIVMLDKGH-SFHVURJKSA-N 1 1 421.545 2.864 20 30 HFEDMO C#CCCCNC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000806916893 1080120951 /nfs/dbraw/zinc/12/09/51/1080120951.db2.gz DABLSTWVLSNDTJ-WMZOPIPTSA-N 1 1 409.452 2.734 20 30 HFEDMO C#CCCCNC(=O)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000806916892 1080121065 /nfs/dbraw/zinc/12/10/65/1080121065.db2.gz DABLSTWVLSNDTJ-SJLPKXTDSA-N 1 1 409.452 2.734 20 30 HFEDMO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000807543093 1080758918 /nfs/dbraw/zinc/75/89/18/1080758918.db2.gz BCOBMXNIZRCVOJ-LMMKCTJWSA-N 1 1 406.486 2.695 20 30 HFEDMO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nnc(-c3ccc(C#N)cc3)o2)cc1OC ZINC001308117924 1126163812 /nfs/dbraw/zinc/16/38/12/1126163812.db2.gz PESDWTBVZRNDLC-JOCHJYFZSA-N 1 1 408.458 2.709 20 30 HFEDMO C[N@H+]1CCO[C@H]2CN(c3nc(C#C[Si](C)(C)C)ccc3NC(=O)C(C)(C)C)C[C@H]21 ZINC001164674293 719417697 /nfs/dbraw/zinc/41/76/97/719417697.db2.gz WAGIRDSORFPNGA-MOPGFXCFSA-N 1 1 414.626 2.814 20 30 HFEDMO C[N@H+]1CCO[C@@H]2CN(c3nc(C#C[Si](C)(C)C)ccc3NC(=O)C(C)(C)C)C[C@H]21 ZINC001164674297 719418093 /nfs/dbraw/zinc/41/80/93/719418093.db2.gz WAGIRDSORFPNGA-RTBURBONSA-N 1 1 414.626 2.814 20 30 HFEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(SC)nc(Cl)c1C#N)C2 ZINC001164813699 720066168 /nfs/dbraw/zinc/06/61/68/720066168.db2.gz VIUIXBCRKSUCRD-IFXJQAMLSA-N 1 1 407.971 2.908 20 30 HFEDMO Cc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)cc1C#N ZINC001164750411 720859289 /nfs/dbraw/zinc/85/92/89/720859289.db2.gz PSQBMKWTRSSQSX-WSTZPKSXSA-N 1 1 411.941 2.886 20 30 HFEDMO Cc1nc(C#N)cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164753331 720903238 /nfs/dbraw/zinc/90/32/38/720903238.db2.gz GNCBMHDGMGUZOT-URXFXBBRSA-N 1 1 418.545 2.807 20 30 HFEDMO N#CCc1cncc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164750953 720904153 /nfs/dbraw/zinc/90/41/53/720904153.db2.gz CGUOBQBHVQVUJM-XUZZJYLKSA-N 1 1 418.545 2.693 20 30 HFEDMO Cc1cnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(C#N)n1 ZINC001164752094 720905926 /nfs/dbraw/zinc/90/59/26/720905926.db2.gz NCYVYRHSBOIQAL-URXFXBBRSA-N 1 1 418.545 2.807 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(Cl)nc4C#N)C[C@@H]3C2)cn1 ZINC001164763442 721106848 /nfs/dbraw/zinc/10/68/48/721106848.db2.gz FYDSHOHOUVACNF-CABCVRRESA-N 1 1 406.868 2.843 20 30 HFEDMO COc1cc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)ncc1C#N ZINC001164778615 721332058 /nfs/dbraw/zinc/33/20/58/721332058.db2.gz XTOSCDVPFYMTRC-QFIPXVFZSA-N 1 1 411.506 2.686 20 30 HFEDMO COc1cc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)ncc1C#N ZINC001164778615 721332061 /nfs/dbraw/zinc/33/20/61/721332061.db2.gz XTOSCDVPFYMTRC-QFIPXVFZSA-N 1 1 411.506 2.686 20 30 HFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc(Cl)c3C#N)C2)C1 ZINC001164780003 721340489 /nfs/dbraw/zinc/34/04/89/721340489.db2.gz YEWSVBQJGXICKB-FQEVSTJZSA-N 1 1 416.913 2.726 20 30 HFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc(Cl)c3C#N)C2)C1 ZINC001164780003 721340497 /nfs/dbraw/zinc/34/04/97/721340497.db2.gz YEWSVBQJGXICKB-FQEVSTJZSA-N 1 1 416.913 2.726 20 30 HFEDMO Cc1cc(Cl)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1C#N ZINC001164885034 721384963 /nfs/dbraw/zinc/38/49/63/721384963.db2.gz BXEJHKVQYIDSBU-UWJYYQICSA-N 1 1 403.958 2.681 20 30 HFEDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc5c(cc4C#N)CCCC5)C3)O2)CC1 ZINC001164893050 721434207 /nfs/dbraw/zinc/43/42/07/721434207.db2.gz IVBCXMSJIQHOSI-URXFXBBRSA-N 1 1 409.578 2.597 20 30 HFEDMO C=CCn1c(=S)n(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc1-c1cnccn1 ZINC000772829459 1078094542 /nfs/dbraw/zinc/09/45/42/1078094542.db2.gz SKIZLIUMPQYTAU-QFBILLFUSA-N 1 1 411.579 2.963 20 30 HFEDMO CCCCCCC[C@H](C)CNC(=O)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000793789190 1078297023 /nfs/dbraw/zinc/29/70/23/1078297023.db2.gz FGGDAYJLAQCZCC-CCDCCJRHSA-N 1 1 420.642 2.869 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000793843333 1078312303 /nfs/dbraw/zinc/31/23/03/1078312303.db2.gz UCCOSTBCPPGXLZ-UNMCSNQZSA-N 1 1 406.530 2.843 20 30 HFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC000794128284 1078375879 /nfs/dbraw/zinc/37/58/79/1078375879.db2.gz JRGZPIVLMRBDFV-YOEHRIQHSA-N 1 1 410.299 2.826 20 30 HFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCc1ccc(I)cc1 ZINC000794128284 1078375883 /nfs/dbraw/zinc/37/58/83/1078375883.db2.gz JRGZPIVLMRBDFV-YOEHRIQHSA-N 1 1 410.299 2.826 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805805794 1079281925 /nfs/dbraw/zinc/28/19/25/1079281925.db2.gz FFRSUBIEROAAGZ-URXFXBBRSA-N 1 1 406.530 2.843 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000805807415 1079282706 /nfs/dbraw/zinc/28/27/06/1079282706.db2.gz HIOQWQHUBXOSQM-BWAGFHJFSA-N 1 1 406.530 2.842 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000805807416 1079282747 /nfs/dbraw/zinc/28/27/47/1079282747.db2.gz HIOQWQHUBXOSQM-COPCDDAFSA-N 1 1 406.530 2.842 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000805815717 1079288710 /nfs/dbraw/zinc/28/87/10/1079288710.db2.gz UKYZXMHUWUQRKD-SFTDATJTSA-N 1 1 424.570 2.549 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000805815717 1079288718 /nfs/dbraw/zinc/28/87/18/1079288718.db2.gz UKYZXMHUWUQRKD-SFTDATJTSA-N 1 1 424.570 2.549 20 30 HFEDMO CC[NH+](CC)CCO[C@@H]1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000746675630 1076750019 /nfs/dbraw/zinc/75/00/19/1076750019.db2.gz OOGYKQHZQYYGQD-MOPGFXCFSA-N 1 1 407.518 2.656 20 30 HFEDMO Cc1cnc(Cl)c(NC(=O)C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000787876629 1076971387 /nfs/dbraw/zinc/97/13/87/1076971387.db2.gz WRWLSSLZHFBZIA-UHFFFAOYSA-N 1 1 411.893 2.588 20 30 HFEDMO Cc1cnc(Cl)c(NC(=O)C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000787876629 1076971389 /nfs/dbraw/zinc/97/13/89/1076971389.db2.gz WRWLSSLZHFBZIA-UHFFFAOYSA-N 1 1 411.893 2.588 20 30 HFEDMO CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OC ZINC000789009988 1077383845 /nfs/dbraw/zinc/38/38/45/1077383845.db2.gz ZECFJVWTHFEPLG-SCTDSRPQSA-N 1 1 418.538 2.627 20 30 HFEDMO CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OC ZINC000789009988 1077383848 /nfs/dbraw/zinc/38/38/48/1077383848.db2.gz ZECFJVWTHFEPLG-SCTDSRPQSA-N 1 1 418.538 2.627 20 30 HFEDMO N#CCNC(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000789276481 1077493374 /nfs/dbraw/zinc/49/33/74/1077493374.db2.gz CARVFPNMPQFGJB-VQTJNVASSA-N 1 1 411.889 2.739 20 30 HFEDMO C#CCOc1ccc(NC(=O)C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000746807264 1077563535 /nfs/dbraw/zinc/56/35/35/1077563535.db2.gz OJTUGNUOEBISCL-NRFANRHFSA-N 1 1 405.498 2.760 20 30 HFEDMO CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3ccc(C#N)c(F)c3)C2)C(=O)C1 ZINC000792297403 1077794477 /nfs/dbraw/zinc/79/44/77/1077794477.db2.gz SDRRLQAEWIUFMK-GOSISDBHSA-N 1 1 416.497 2.741 20 30 HFEDMO CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3ccc(C#N)c(F)c3)C2)C(=O)C1 ZINC000792297403 1077794479 /nfs/dbraw/zinc/79/44/79/1077794479.db2.gz SDRRLQAEWIUFMK-GOSISDBHSA-N 1 1 416.497 2.741 20 30 HFEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC001170183287 1077903329 /nfs/dbraw/zinc/90/33/29/1077903329.db2.gz FOIZCBMXDQTFLH-DHIUTWEWSA-N 1 1 421.541 2.901 20 30 HFEDMO N#Cc1c2c(sc1NC(=O)CC[N@H+]1CCC[C@H](N3CCOCC3)CC1)CCC2 ZINC001170216041 1077909264 /nfs/dbraw/zinc/90/92/64/1077909264.db2.gz HDCSLGZBMWUAER-INIZCTEOSA-N 1 1 402.564 2.624 20 30 HFEDMO CC(C)(C)OC(=O)N1CC[N@H+](C2CCC(C#N)(c3ccccc3)CC2)C[C@H]1C(N)=O ZINC001170389622 1077958214 /nfs/dbraw/zinc/95/82/14/1077958214.db2.gz WICDYVVPGGGWED-KPRXVCGWSA-N 1 1 412.534 2.797 20 30 HFEDMO C=CC[C@@]1(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000790250766 1077977127 /nfs/dbraw/zinc/97/71/27/1077977127.db2.gz YZWVNJZGDXNDKH-SVMVAKDDSA-N 1 1 409.571 2.948 20 30 HFEDMO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)c2)s1 ZINC000790275486 1077993828 /nfs/dbraw/zinc/99/38/28/1077993828.db2.gz ZLJPWWQOLTUHIG-MOPGFXCFSA-N 1 1 408.527 2.646 20 30 HFEDMO C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000806309298 1079560735 /nfs/dbraw/zinc/56/07/35/1079560735.db2.gz QHPNZXVRNMAZFY-LEWJYISDSA-N 1 1 410.587 2.970 20 30 HFEDMO N#CCOc1ccc(CC(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC001130733000 1079971017 /nfs/dbraw/zinc/97/10/17/1079971017.db2.gz HHNRATBFZBNPBJ-DHIUTWEWSA-N 1 1 405.498 2.633 20 30 HFEDMO C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(OCCC[NH+]2CCN(C)CC2)cc1 ZINC001130742376 1080006206 /nfs/dbraw/zinc/00/62/06/1080006206.db2.gz UKAHNFMYWWCBLX-LJQANCHMSA-N 1 1 422.529 2.981 20 30 HFEDMO CN1CC[NH+](CCCOc2ccc(NC(=O)c3ncc(C#N)cc3Cl)cc2)CC1 ZINC001130742465 1080006783 /nfs/dbraw/zinc/00/67/83/1080006783.db2.gz YJLXPDRBWLRYDQ-UHFFFAOYSA-N 1 1 413.909 2.875 20 30 HFEDMO CN(C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000807247796 1080404598 /nfs/dbraw/zinc/40/45/98/1080404598.db2.gz FQTNCWKBRKYETA-SFHVURJKSA-N 1 1 408.527 2.598 20 30 HFEDMO C#C[C@H](NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(Cl)cc1F ZINC000807327886 1080525988 /nfs/dbraw/zinc/52/59/88/1080525988.db2.gz VYTXZTKDGAFNCF-KRWDZBQOSA-N 1 1 411.824 2.797 20 30 HFEDMO C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000807405871 1080601059 /nfs/dbraw/zinc/60/10/59/1080601059.db2.gz AOLACUDZZCJJMU-WOJBJXKFSA-N 1 1 419.525 2.896 20 30 HFEDMO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000807469011 1080645737 /nfs/dbraw/zinc/64/57/37/1080645737.db2.gz DYOYGYXCUCRVSO-QHCPKHFHSA-N 1 1 424.589 2.597 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000807469772 1080648894 /nfs/dbraw/zinc/64/88/94/1080648894.db2.gz LHAXOEWPNKUHCT-SMIHKQSGSA-N 1 1 405.542 2.803 20 30 HFEDMO C[N@H+]1CCC[C@@H](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)[C@@H]1c1cccs1 ZINC000807582970 1080795428 /nfs/dbraw/zinc/79/54/28/1080795428.db2.gz XIFXSGBPXWWKOV-HNAYVOBHSA-N 1 1 414.506 2.574 20 30 HFEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)cnc1C#N)CC2 ZINC001164712685 720103940 /nfs/dbraw/zinc/10/39/40/720103940.db2.gz XXWBQTDSJZLZNA-QGZVFWFLSA-N 1 1 412.925 2.904 20 30 HFEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(OC)cc(C#N)n1)CC2 ZINC001164714305 720122228 /nfs/dbraw/zinc/12/22/28/720122228.db2.gz BTGVJYJZLFZRGV-FQEVSTJZSA-N 1 1 407.518 2.864 20 30 HFEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(C3(C#N)CCOCC3)cn1)C2 ZINC001164816238 720157127 /nfs/dbraw/zinc/15/71/27/720157127.db2.gz KGWLVMNJVAKHGH-URXFXBBRSA-N 1 1 410.562 2.838 20 30 HFEDMO Cc1ncc(C#N)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164757471 720883791 /nfs/dbraw/zinc/88/37/91/720883791.db2.gz VCUDZDOBLSRDLW-ISKFKSNPSA-N 1 1 418.545 2.807 20 30 HFEDMO N#CC1(c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2)CCOCC1 ZINC001164879479 721131653 /nfs/dbraw/zinc/13/16/53/721131653.db2.gz SQNAFUPPIUSQKP-FCHUYYIVSA-N 1 1 419.529 2.528 20 30 HFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc4c(C#N)c[nH]c4n3)C2)C1 ZINC001164780801 721362251 /nfs/dbraw/zinc/36/22/51/721362251.db2.gz HREHPNDZWRFGNQ-JOCHJYFZSA-N 1 1 421.505 2.553 20 30 HFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc4c(C#N)c[nH]c4n3)C2)C1 ZINC001164780801 721362252 /nfs/dbraw/zinc/36/22/52/721362252.db2.gz HREHPNDZWRFGNQ-JOCHJYFZSA-N 1 1 421.505 2.553 20 30 HFEDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)c(F)cc4C#N)C3)O2)CC1 ZINC001164890947 721381837 /nfs/dbraw/zinc/38/18/37/721381837.db2.gz PMWPKTNMOZYTIS-OXQOHEQNSA-N 1 1 407.921 2.511 20 30 HFEDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc5ccc(C#N)cc54)C3)O2)CC1 ZINC001164886129 721404087 /nfs/dbraw/zinc/40/40/87/721404087.db2.gz HVESEXSGDFFCFK-URXFXBBRSA-N 1 1 405.546 2.872 20 30 HFEDMO N#Cc1ccc([N+](=O)[O-])c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164906203 721702656 /nfs/dbraw/zinc/70/26/56/721702656.db2.gz KWYLLUXPZBNWIE-LJQANCHMSA-N 1 1 414.416 2.994 20 30 HFEDMO CCc1nc(C#N)c(C#N)nc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164912241 721765023 /nfs/dbraw/zinc/76/50/23/721765023.db2.gz WAPAOENQDRIBAY-UHFFFAOYSA-N 1 1 413.485 2.965 20 30 HFEDMO CCc1nc(C#N)c(C#N)nc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164912241 721765026 /nfs/dbraw/zinc/76/50/26/721765026.db2.gz WAPAOENQDRIBAY-UHFFFAOYSA-N 1 1 413.485 2.965 20 30 HFEDMO C=CC[NH+]1CCN(c2nc(Cn3cnc([N+](=O)[O-])c3)nc3sc(C)c(C)c32)CC1 ZINC001165034249 721871971 /nfs/dbraw/zinc/87/19/71/721871971.db2.gz IFDAUSSMIVJCGP-UHFFFAOYSA-N 1 1 413.507 2.769 20 30 HFEDMO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ccc(COc2ccc(CC#N)cc2)cn1 ZINC001164935104 721880862 /nfs/dbraw/zinc/88/08/62/721880862.db2.gz VVMCIFGBVGZYRM-XZOQPEGZSA-N 1 1 405.546 2.941 20 30 HFEDMO C[NH+](C)CCN1CC[C@@H]2[C@@H]1CCN2c1ccc(COc2ccc(CC#N)cc2)cn1 ZINC001164935104 721880865 /nfs/dbraw/zinc/88/08/65/721880865.db2.gz VVMCIFGBVGZYRM-XZOQPEGZSA-N 1 1 405.546 2.941 20 30 HFEDMO C=CC[C@]1(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790648443 1078093499 /nfs/dbraw/zinc/09/34/99/1078093499.db2.gz YKQMFWBWAIDVLC-WMZHIEFXSA-N 1 1 420.598 2.571 20 30 HFEDMO C[C@H](NC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000804403245 1078466726 /nfs/dbraw/zinc/46/67/26/1078466726.db2.gz ZJBHVMBKVBNVGP-UUOWRZLLSA-N 1 1 404.514 2.764 20 30 HFEDMO C#C[C@H](NC(=O)[C@@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1)c1ccc(Cl)cc1F ZINC000804419397 1078468600 /nfs/dbraw/zinc/46/86/00/1078468600.db2.gz MCVDDYJMQHTMLZ-ALKREAHSSA-N 1 1 405.901 2.602 20 30 HFEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)n1 ZINC001130223175 1079105371 /nfs/dbraw/zinc/10/53/71/1079105371.db2.gz PQZBSUDOOWFPLF-FKSLSLAPSA-N 1 1 401.555 2.676 20 30 HFEDMO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)n[nH]1 ZINC001130223175 1079105374 /nfs/dbraw/zinc/10/53/74/1079105374.db2.gz PQZBSUDOOWFPLF-FKSLSLAPSA-N 1 1 401.555 2.676 20 30 HFEDMO N#CCOc1cccc(CC(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001130528513 1079465046 /nfs/dbraw/zinc/46/50/46/1079465046.db2.gz NQTBZKGNSFLKNH-GOTSBHOMSA-N 1 1 405.498 2.633 20 30 HFEDMO COc1ccc(CNC(=O)NC[C@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1C#N ZINC000746706223 1076907251 /nfs/dbraw/zinc/90/72/51/1076907251.db2.gz YJFHAAHXHFFMGO-SFHVURJKSA-N 1 1 407.518 2.577 20 30 HFEDMO COc1ccc(CNC(=O)N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000746731789 1077071718 /nfs/dbraw/zinc/07/17/18/1077071718.db2.gz UONDPFRRHCGWMD-VGSWGCGISA-N 1 1 408.502 2.656 20 30 HFEDMO COc1ccc(CNC(=O)N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000746731789 1077071724 /nfs/dbraw/zinc/07/17/24/1077071724.db2.gz UONDPFRRHCGWMD-VGSWGCGISA-N 1 1 408.502 2.656 20 30 HFEDMO C#CC[C@@]1(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CCCN1C(=O)OC(C)(C)C ZINC000788307375 1077093230 /nfs/dbraw/zinc/09/32/30/1077093230.db2.gz ACEIEGTXMKADOS-QHCPKHFHSA-N 1 1 421.582 2.596 20 30 HFEDMO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2)s1 ZINC000788573330 1077209813 /nfs/dbraw/zinc/20/98/13/1077209813.db2.gz OUBAUNOZPJQKMP-ROUUACIJSA-N 1 1 408.527 2.646 20 30 HFEDMO C#CCn1ccc(CN(CC)C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)n1 ZINC000788989282 1077374696 /nfs/dbraw/zinc/37/46/96/1077374696.db2.gz JFJSPVAUNQHQGE-UHFFFAOYSA-N 1 1 415.582 2.862 20 30 HFEDMO CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)ccc1OC ZINC000789008904 1077383582 /nfs/dbraw/zinc/38/35/82/1077383582.db2.gz SHSRHDKJYZRFBG-SFHVURJKSA-N 1 1 418.538 2.628 20 30 HFEDMO CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)ccc1OC ZINC000789008904 1077383586 /nfs/dbraw/zinc/38/35/86/1077383586.db2.gz SHSRHDKJYZRFBG-SFHVURJKSA-N 1 1 418.538 2.628 20 30 HFEDMO C#CCn1ccc(CN(CC)C(=O)N[C@H](CC)[C@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000789099477 1077410993 /nfs/dbraw/zinc/41/09/93/1077410993.db2.gz HXAROLDBCGWZMC-DHIUTWEWSA-N 1 1 423.561 2.727 20 30 HFEDMO C#CCn1ccc(CN(CC)C(=O)N[C@H](CC)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000789099477 1077410996 /nfs/dbraw/zinc/41/09/96/1077410996.db2.gz HXAROLDBCGWZMC-DHIUTWEWSA-N 1 1 423.561 2.727 20 30 HFEDMO N#CCn1c(CN2CCC(c3[nH+]cc4n3CCCC4)CC2)nc2ccccc2c1=O ZINC000789357920 1077515767 /nfs/dbraw/zinc/51/57/67/1077515767.db2.gz QGGWAEVNHIYDSL-UHFFFAOYSA-N 1 1 402.502 2.832 20 30 HFEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746807650 1077565663 /nfs/dbraw/zinc/56/56/63/1077565663.db2.gz PPGHMBXWNRMQSN-FQEVSTJZSA-N 1 1 423.488 2.899 20 30 HFEDMO CCn1cc([C@@H](O)C[N@H+](CC(=O)Nc2cccc(C#N)c2)Cc2ccccc2)cn1 ZINC000792376760 1077843148 /nfs/dbraw/zinc/84/31/48/1077843148.db2.gz MUSPEFPLNJSZMO-QFIPXVFZSA-N 1 1 403.486 2.949 20 30 HFEDMO CCn1cc([C@@H](O)C[N@@H+](CC(=O)Nc2cccc(C#N)c2)Cc2ccccc2)cn1 ZINC000792376760 1077843153 /nfs/dbraw/zinc/84/31/53/1077843153.db2.gz MUSPEFPLNJSZMO-QFIPXVFZSA-N 1 1 403.486 2.949 20 30 HFEDMO COCCN1CCO[C@H]2C[N@H+](C3CCC(C#N)(c4ccccc4)CC3)CC[C@H]2C1=O ZINC001170381235 1077963565 /nfs/dbraw/zinc/96/35/65/1077963565.db2.gz KLVHXEZYLPIKDU-NLMCKWEYSA-N 1 1 411.546 2.586 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000806309299 1079560689 /nfs/dbraw/zinc/56/06/89/1079560689.db2.gz QHPNZXVRNMAZFY-NHCUHLMSSA-N 1 1 410.587 2.970 20 30 HFEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N ZINC000807110006 1080286966 /nfs/dbraw/zinc/28/69/66/1080286966.db2.gz OXFGUTJPRHVLOC-WMZOPIPTSA-N 1 1 419.526 2.502 20 30 HFEDMO C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807249301 1080409603 /nfs/dbraw/zinc/40/96/03/1080409603.db2.gz PHSLFJWPLGHBIU-QUCCMNQESA-N 1 1 422.554 2.846 20 30 HFEDMO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC[N@H+]1C ZINC000807250369 1080410195 /nfs/dbraw/zinc/41/01/95/1080410195.db2.gz ZCYLIOXKPWCJLT-CRAIPNDOSA-N 1 1 410.543 2.844 20 30 HFEDMO C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000807337906 1080539313 /nfs/dbraw/zinc/53/93/13/1080539313.db2.gz YEMJPLRHDGGWSI-XXBNENTESA-N 1 1 419.525 2.769 20 30 HFEDMO C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000807404124 1080598598 /nfs/dbraw/zinc/59/85/98/1080598598.db2.gz ZNDFUVUSOVMNTQ-WOJBJXKFSA-N 1 1 419.525 2.896 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000807466616 1080644336 /nfs/dbraw/zinc/64/43/36/1080644336.db2.gz DLGDMWNSUJFPGK-XMMPIXPASA-N 1 1 420.557 2.950 20 30 HFEDMO CNC(=O)C[N@H+]1CCCC12CCN(c1nc(-c3ccc(F)cc3)ccc1C#N)CC2 ZINC001164683041 719700209 /nfs/dbraw/zinc/70/02/09/719700209.db2.gz HWQCPIYEROTNOE-UHFFFAOYSA-N 1 1 407.493 2.940 20 30 HFEDMO N#Cc1cc2c(nc1N1CCC3(CC1)C[N@@H+](Cc1cccs1)CCO3)CCOC2 ZINC001164706986 719900031 /nfs/dbraw/zinc/90/00/31/719900031.db2.gz MJISSVNHVVXJEY-UHFFFAOYSA-N 1 1 410.543 2.959 20 30 HFEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(C3(C#N)CCOCC3)cn1)C2 ZINC001164816237 720156138 /nfs/dbraw/zinc/15/61/38/720156138.db2.gz KGWLVMNJVAKHGH-QPPBQGQZSA-N 1 1 410.562 2.838 20 30 HFEDMO CSc1nc(Cl)c(C=NO)c(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164729246 720355753 /nfs/dbraw/zinc/35/57/53/720355753.db2.gz XQKBLNOGZZCCPB-CABCVRRESA-N 1 1 404.927 2.908 20 30 HFEDMO Cc1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164746883 720741748 /nfs/dbraw/zinc/74/17/48/720741748.db2.gz YUORESNZHKTFIQ-WOJBJXKFSA-N 1 1 407.594 2.751 20 30 HFEDMO N#Cc1cc2c(nc1N1CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C1)CCCC2 ZINC001164742510 720846211 /nfs/dbraw/zinc/84/62/11/720846211.db2.gz HEGWTXOJIZEJBD-FUPPJEDESA-N 1 1 417.561 2.803 20 30 HFEDMO Cc1ncc(C#N)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164757472 720883694 /nfs/dbraw/zinc/88/36/94/720883694.db2.gz VCUDZDOBLSRDLW-LADGPHEKSA-N 1 1 418.545 2.807 20 30 HFEDMO COCC[N@H+]1CCO[C@H]2CN(c3cc(C#N)c4cc(Cl)ccc4n3)CC[C@@H]2C1 ZINC001164860802 720886615 /nfs/dbraw/zinc/88/66/15/720886615.db2.gz PEAHJJLXKICGDY-QRWLVFNGSA-N 1 1 400.910 2.933 20 30 HFEDMO Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)cnc1C#N ZINC001164756260 720901197 /nfs/dbraw/zinc/90/11/97/720901197.db2.gz OWYDKFJPUFDCTL-URXFXBBRSA-N 1 1 418.545 2.807 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4c(C#N)cnc5cnc(Cl)cc54)C[C@@H]3C2)cn1 ZINC001164774301 721088060 /nfs/dbraw/zinc/08/80/60/721088060.db2.gz ZRRFTWLIOMGMSK-WBVHZDCISA-N 1 1 407.909 2.847 20 30 HFEDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc5ccc(C#N)cc54)C3)O2)CC1 ZINC001164886113 721404163 /nfs/dbraw/zinc/40/41/63/721404163.db2.gz HVESEXSGDFFCFK-QPPBQGQZSA-N 1 1 405.546 2.872 20 30 HFEDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc5c(c4C#N)CCCC5)C3)O2)CC1 ZINC001164891123 721451755 /nfs/dbraw/zinc/45/17/55/721451755.db2.gz UGDRHNANJVNGGI-GBXCKJPGSA-N 1 1 409.578 2.597 20 30 HFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(F)cc1C#N)CC2 ZINC001164790158 721453490 /nfs/dbraw/zinc/45/34/90/721453490.db2.gz XBSOAALHYZPKJH-FQEVSTJZSA-N 1 1 402.514 2.826 20 30 HFEDMO N#Cc1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904784 721699773 /nfs/dbraw/zinc/69/97/73/721699773.db2.gz GNWCZSMSLVPIKD-IBGZPJMESA-N 1 1 414.416 2.994 20 30 HFEDMO N#Cc1cc(F)c(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976537 722100069 /nfs/dbraw/zinc/10/00/69/722100069.db2.gz DVHMIVDJRKCSBU-MAUKXSAKSA-N 1 1 401.873 2.868 20 30 HFEDMO N#Cc1ccc2ncnc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164982753 722105706 /nfs/dbraw/zinc/10/57/06/722105706.db2.gz ONMFLMKXRFRKSI-UGKGYDQZSA-N 1 1 400.486 2.624 20 30 HFEDMO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)o1 ZINC001129828589 1078523019 /nfs/dbraw/zinc/52/30/19/1078523019.db2.gz LUIUYNWPZJAJRD-QGZVFWFLSA-N 1 1 407.518 2.804 20 30 HFEDMO Cc1nc(C#N)c(N2CCC(C(=O)N3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)o1 ZINC001129828589 1078523020 /nfs/dbraw/zinc/52/30/20/1078523020.db2.gz LUIUYNWPZJAJRD-QGZVFWFLSA-N 1 1 407.518 2.804 20 30 HFEDMO C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000804946300 1078775647 /nfs/dbraw/zinc/77/56/47/1078775647.db2.gz CVSLHTNJZLJKAM-QHCPKHFHSA-N 1 1 418.541 2.508 20 30 HFEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)n1 ZINC001130224968 1079107844 /nfs/dbraw/zinc/10/78/44/1079107844.db2.gz LBTWNPPUDWYQJA-FKSLSLAPSA-N 1 1 401.555 2.676 20 30 HFEDMO C=CCCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]23)n[nH]1 ZINC001130224968 1079107846 /nfs/dbraw/zinc/10/78/46/1079107846.db2.gz LBTWNPPUDWYQJA-FKSLSLAPSA-N 1 1 401.555 2.676 20 30 HFEDMO CC(C)(C)OC(=O)NCC[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc(C#N)cc1 ZINC000805764327 1079265009 /nfs/dbraw/zinc/26/50/09/1079265009.db2.gz CFTHIAQEVUPFKF-LJQANCHMSA-N 1 1 400.523 2.944 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC)c1ccncc1 ZINC000805808930 1079284783 /nfs/dbraw/zinc/28/47/83/1079284783.db2.gz KNBCYDDCDSSTOI-VXKWHMMOSA-N 1 1 421.545 2.723 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805808612 1079283690 /nfs/dbraw/zinc/28/36/90/1079283690.db2.gz VSNDSGJUVOZXMG-FGZHOGPDSA-N 1 1 406.530 2.938 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805814125 1079288217 /nfs/dbraw/zinc/28/82/17/1079288217.db2.gz PTEZEUCVIQUSOU-QIJUGHKUSA-N 1 1 406.530 2.842 20 30 HFEDMO N#CCOc1cccc(CC(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001130528517 1079464988 /nfs/dbraw/zinc/46/49/88/1079464988.db2.gz NQTBZKGNSFLKNH-XZOQPEGZSA-N 1 1 405.498 2.633 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)NC[C@@H](CC)[N@H+]1CCc2ccccc2C1)c1ccncc1 ZINC000787631649 1076884787 /nfs/dbraw/zinc/88/47/87/1076884787.db2.gz MCTAROIZJGKJQC-YADHBBJMSA-N 1 1 406.530 2.768 20 30 HFEDMO Cc1[nH+]ccn1CCCNC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000787649601 1076897602 /nfs/dbraw/zinc/89/76/02/1076897602.db2.gz BWLWTDDEGLTZCW-UHFFFAOYSA-N 1 1 407.499 2.614 20 30 HFEDMO C[C@@H]1CCC[N@@H+](CCNC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000787667444 1076904034 /nfs/dbraw/zinc/90/40/34/1076904034.db2.gz CDUPNBHRNNTLEQ-MRXNPFEDSA-N 1 1 410.543 2.751 20 30 HFEDMO C[C@@H](OC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1(C#N)CCC1 ZINC000787706789 1076920188 /nfs/dbraw/zinc/92/01/88/1076920188.db2.gz SFLCJBGUMCTBTF-FOIQADDNSA-N 1 1 423.435 2.935 20 30 HFEDMO C#CCC1(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@@H+](C)CC3)c2)CCCCC1 ZINC000788209060 1077079731 /nfs/dbraw/zinc/07/97/31/1077079731.db2.gz PBGQDEPLRIZZHW-UHFFFAOYSA-N 1 1 417.575 2.925 20 30 HFEDMO C#CCC1(C(=O)Nc2cccc(S(=O)(=O)N3CCC[N@H+](C)CC3)c2)CCCCC1 ZINC000788209060 1077079739 /nfs/dbraw/zinc/07/97/39/1077079739.db2.gz PBGQDEPLRIZZHW-UHFFFAOYSA-N 1 1 417.575 2.925 20 30 HFEDMO C#CC[C@]1(C(=O)N(C)CC(C)(C)C[NH+]2CCOCC2)CCCN1C(=O)OC(C)(C)C ZINC000788307372 1077093271 /nfs/dbraw/zinc/09/32/71/1077093271.db2.gz ACEIEGTXMKADOS-HSZRJFAPSA-N 1 1 421.582 2.596 20 30 HFEDMO CC(C)(C)OC(=O)NC[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC000788273771 1077095085 /nfs/dbraw/zinc/09/50/85/1077095085.db2.gz BKPASSWIDJKZOI-WOJBJXKFSA-N 1 1 414.550 2.864 20 30 HFEDMO C#CCN(C)C(=O)c1nnn(-c2cccc3c2CC[N@H+](Cc2ccccc2F)C3)c1C ZINC000790965689 1077256589 /nfs/dbraw/zinc/25/65/89/1077256589.db2.gz WNVQHEZTRQWITC-UHFFFAOYSA-N 1 1 417.488 2.978 20 30 HFEDMO C#CCN(C)C(=O)c1nnn(-c2cccc3c2CC[N@@H+](Cc2ccccc2F)C3)c1C ZINC000790965689 1077256592 /nfs/dbraw/zinc/25/65/92/1077256592.db2.gz WNVQHEZTRQWITC-UHFFFAOYSA-N 1 1 417.488 2.978 20 30 HFEDMO C#CCC[NH+]1CCN(C(=O)c2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000788765415 1077281203 /nfs/dbraw/zinc/28/12/03/1077281203.db2.gz KCCNKRUROPEGEO-UHFFFAOYSA-N 1 1 411.546 2.803 20 30 HFEDMO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)c2)s1 ZINC000788801757 1077292804 /nfs/dbraw/zinc/29/28/04/1077292804.db2.gz ZLUWINCDCLOFBZ-MRXNPFEDSA-N 1 1 408.527 2.503 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC000788847887 1077318942 /nfs/dbraw/zinc/31/89/42/1077318942.db2.gz AIWDHKQCVZGKPC-FQEVSTJZSA-N 1 1 417.941 2.631 20 30 HFEDMO N#Cc1ccc(C[N@H+]2CCCN(S(=O)(=O)C3=Cc4ccccc4OC3)CC2)cc1 ZINC000788876838 1077326991 /nfs/dbraw/zinc/32/69/91/1077326991.db2.gz JFLVTABYQJQVHB-UHFFFAOYSA-N 1 1 409.511 2.829 20 30 HFEDMO N#Cc1ccc(C[N@@H+]2CCCN(S(=O)(=O)C3=Cc4ccccc4OC3)CC2)cc1 ZINC000788876838 1077326997 /nfs/dbraw/zinc/32/69/97/1077326997.db2.gz JFLVTABYQJQVHB-UHFFFAOYSA-N 1 1 409.511 2.829 20 30 HFEDMO C[C@@H]1C[NH+](Cc2ccc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2)C[C@@H](C)O1 ZINC000791187770 1077332646 /nfs/dbraw/zinc/33/26/46/1077332646.db2.gz CUCZGMNVRWJRGU-RTBURBONSA-N 1 1 419.529 2.525 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000789074728 1077397354 /nfs/dbraw/zinc/39/73/54/1077397354.db2.gz NMYYEITXKRNOMX-GOSISDBHSA-N 1 1 420.517 2.930 20 30 HFEDMO Cc1nc(SCC(=O)OCCC[NH+]2CCN(C(C)C)CC2)c(C#N)c(C)c1C ZINC000791614541 1077488114 /nfs/dbraw/zinc/48/81/14/1077488114.db2.gz YYXVGUNUNLQPJB-UHFFFAOYSA-N 1 1 404.580 2.930 20 30 HFEDMO C=CCc1cc(OCC)cc(C[N@@H+]2CCc3c(cccc3S(=O)(=O)NC)C2)c1O ZINC000789490662 1077593017 /nfs/dbraw/zinc/59/30/17/1077593017.db2.gz IJZCFZHHONRPNG-UHFFFAOYSA-N 1 1 416.543 2.986 20 30 HFEDMO C=CCc1cc(OCC)cc(C[N@H+]2CCc3c(cccc3S(=O)(=O)NC)C2)c1O ZINC000789490662 1077593019 /nfs/dbraw/zinc/59/30/19/1077593019.db2.gz IJZCFZHHONRPNG-UHFFFAOYSA-N 1 1 416.543 2.986 20 30 HFEDMO C=CCc1cc(C[N@H+]2CCc3c(cccc3S(=O)(=O)NC)C2)c(O)c(OC)c1 ZINC000789491927 1077593436 /nfs/dbraw/zinc/59/34/36/1077593436.db2.gz QNDJTYAQFLJNSR-UHFFFAOYSA-N 1 1 402.516 2.596 20 30 HFEDMO C=CCc1cc(C[N@@H+]2CCc3c(cccc3S(=O)(=O)NC)C2)c(O)c(OC)c1 ZINC000789491927 1077593440 /nfs/dbraw/zinc/59/34/40/1077593440.db2.gz QNDJTYAQFLJNSR-UHFFFAOYSA-N 1 1 402.516 2.596 20 30 HFEDMO CCn1cc([C@@H](O)C[N@H+](CC(=O)NCc2ccc(C#N)cc2)Cc2ccccc2)cn1 ZINC000792363581 1077816444 /nfs/dbraw/zinc/81/64/44/1077816444.db2.gz APQRKLWYVLOOSR-QHCPKHFHSA-N 1 1 417.513 2.627 20 30 HFEDMO CCn1cc([C@@H](O)C[N@@H+](CC(=O)NCc2ccc(C#N)cc2)Cc2ccccc2)cn1 ZINC000792363581 1077816449 /nfs/dbraw/zinc/81/64/49/1077816449.db2.gz APQRKLWYVLOOSR-QHCPKHFHSA-N 1 1 417.513 2.627 20 30 HFEDMO C=CC[C@]1(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)CCCN1C(=O)OC(C)(C)C ZINC000790249055 1077976991 /nfs/dbraw/zinc/97/69/91/1077976991.db2.gz AOFCAIQNJNIKPK-XMSQKQJNSA-N 1 1 409.571 2.805 20 30 HFEDMO N#Cc1cccnc1NCCNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000806535515 1079806800 /nfs/dbraw/zinc/80/68/00/1079806800.db2.gz UVYMMJGCSTXYGR-QHCPKHFHSA-N 1 1 404.518 2.673 20 30 HFEDMO CCC[N@H+]1CC[C@@H](CNC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807248829 1080406029 /nfs/dbraw/zinc/40/60/29/1080406029.db2.gz GMYZIEBWRBCEQE-KRWDZBQOSA-N 1 1 410.543 2.751 20 30 HFEDMO COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000328606095 569418322 /nfs/dbraw/zinc/41/83/22/569418322.db2.gz QLCSWLWGJHODKV-MRXNPFEDSA-N 1 1 409.490 2.994 20 30 HFEDMO CCOC(=O)c1cc(C)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)c1C#N ZINC001164813149 720094268 /nfs/dbraw/zinc/09/42/68/720094268.db2.gz SSVDQTNNSFKFNA-WZONZLPQSA-N 1 1 412.534 2.623 20 30 HFEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])cc1C#N)CC2 ZINC001164719551 720112547 /nfs/dbraw/zinc/11/25/47/720112547.db2.gz YYEUDGQEKAUNIA-FQEVSTJZSA-N 1 1 422.489 2.764 20 30 HFEDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc3c(c1C#N)CCCC3)CCC2 ZINC001164815241 720246253 /nfs/dbraw/zinc/24/62/53/720246253.db2.gz CBKFWZNWOYKCEE-UHFFFAOYSA-N 1 1 406.534 2.639 20 30 HFEDMO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164733418 720464367 /nfs/dbraw/zinc/46/43/67/720464367.db2.gz PLCKWQYTZREYBM-CEXWTWQISA-N 1 1 420.517 2.674 20 30 HFEDMO Cc1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C#N ZINC001164743940 720811995 /nfs/dbraw/zinc/81/19/95/720811995.db2.gz GZMWRCAHVHYKHQ-ZHALLVOQSA-N 1 1 411.941 2.886 20 30 HFEDMO COCC[N@H+]1CCO[C@H]2CN(c3nc4ccccc4c(Cl)c3C#N)CC[C@@H]2C1 ZINC001164864447 720873719 /nfs/dbraw/zinc/87/37/19/720873719.db2.gz VUESBOHPDLNBJR-BEFAXECRSA-N 1 1 400.910 2.933 20 30 HFEDMO Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)cnc1C#N ZINC001164756262 720902637 /nfs/dbraw/zinc/90/26/37/720902637.db2.gz OWYDKFJPUFDCTL-ZJSXRUAMSA-N 1 1 418.545 2.807 20 30 HFEDMO Cc1nc(C#N)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754244 720936443 /nfs/dbraw/zinc/93/64/43/720936443.db2.gz VFDYTRXBBWITKZ-XUZZJYLKSA-N 1 1 418.545 2.807 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(C#N)c(Cl)n4)C[C@@H]3C2)cn1 ZINC001164762195 721079000 /nfs/dbraw/zinc/07/90/00/721079000.db2.gz CYVXSWJCZNSXLV-CVEARBPZSA-N 1 1 406.868 2.843 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccnc(Cl)c4C#N)C[C@@H]3C2)cn1 ZINC001164765897 721084535 /nfs/dbraw/zinc/08/45/35/721084535.db2.gz KDTYEXZREUJICB-GJZGRUSLSA-N 1 1 406.868 2.843 20 30 HFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C#N)cc3C#N)C2)C1 ZINC001164779989 721343129 /nfs/dbraw/zinc/34/31/29/721343129.db2.gz XXBHBBIGKRGNIZ-JOCHJYFZSA-N 1 1 406.490 2.549 20 30 HFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc(C#N)cc3C#N)C2)C1 ZINC001164779989 721343134 /nfs/dbraw/zinc/34/31/34/721343134.db2.gz XXBHBBIGKRGNIZ-JOCHJYFZSA-N 1 1 406.490 2.549 20 30 HFEDMO Cc1nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c(Cl)cc1C#N ZINC001164885344 721450887 /nfs/dbraw/zinc/45/08/87/721450887.db2.gz DFBVQJOPKLEWRE-WIYYLYMNSA-N 1 1 403.958 2.681 20 30 HFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc3c(C#N)c[nH]c3n1)CC2 ZINC001164784437 721464045 /nfs/dbraw/zinc/46/40/45/721464045.db2.gz IALBNNUJEZSMBU-LJQANCHMSA-N 1 1 424.549 2.563 20 30 HFEDMO CCOC(=O)c1cc(C)nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1C#N ZINC001164900186 721523744 /nfs/dbraw/zinc/52/37/44/721523744.db2.gz PATMDNUVCBZZLP-HKUYNNGSSA-N 1 1 424.476 2.919 20 30 HFEDMO C#CC[C@@H](Cc1ccccc1)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC000804453305 1078491092 /nfs/dbraw/zinc/49/10/92/1078491092.db2.gz DKAFOTIKJGZPAS-NRFANRHFSA-N 1 1 413.525 2.928 20 30 HFEDMO N#Cc1ccc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](CO)C2)c(Br)c1 ZINC001137632859 1078555489 /nfs/dbraw/zinc/55/54/89/1078555489.db2.gz MPDHVYVAHBHTHA-LJQANCHMSA-N 1 1 400.320 2.999 20 30 HFEDMO C#CCNc1nc(N[C@H](C)Cc2ccncc2)nc(N[C@H](C)Cc2ccncc2)[nH+]1 ZINC000804534015 1078571518 /nfs/dbraw/zinc/57/15/18/1078571518.db2.gz CVCRVJSMRSGRFB-IAGOWNOFSA-N 1 1 402.506 2.793 20 30 HFEDMO C#CCNc1nc(NCCc2cnc(C)s2)nc(NCCc2cnc(C)s2)[nH+]1 ZINC000804562786 1078598060 /nfs/dbraw/zinc/59/80/60/1078598060.db2.gz LYJSOPVWOHGFNC-UHFFFAOYSA-N 1 1 414.564 2.756 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000805013701 1078824448 /nfs/dbraw/zinc/82/44/48/1078824448.db2.gz DWTZIBGOXWHCOJ-JOCHJYFZSA-N 1 1 420.557 2.751 20 30 HFEDMO N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000747226970 1078854676 /nfs/dbraw/zinc/85/46/76/1078854676.db2.gz RPJDPLPRSDUZGI-JOCHJYFZSA-N 1 1 410.543 2.698 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)c1ccncc1 ZINC000805806136 1079282275 /nfs/dbraw/zinc/28/22/75/1079282275.db2.gz IZQXAPKFGOQVFH-DENIHFKCSA-N 1 1 406.530 2.938 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805814122 1079288239 /nfs/dbraw/zinc/28/82/39/1079288239.db2.gz PTEZEUCVIQUSOU-BWAGFHJFSA-N 1 1 406.530 2.842 20 30 HFEDMO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787492840 1076824937 /nfs/dbraw/zinc/82/49/37/1076824937.db2.gz ZQZIHASVBBDSPK-UHFFFAOYSA-N 1 1 403.486 2.797 20 30 HFEDMO C=C(Br)CNC(=O)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000787611812 1076878384 /nfs/dbraw/zinc/87/83/84/1076878384.db2.gz WGCTVAROFUSAMX-OAHLLOKOSA-N 1 1 414.731 2.618 20 30 HFEDMO C=CCCN(OCc1ccccc1)C(=O)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000787629384 1076883119 /nfs/dbraw/zinc/88/31/19/1076883119.db2.gz ZPEVMIDTKAKLPP-UHFFFAOYSA-N 1 1 407.514 2.697 20 30 HFEDMO C=CCCN(OCc1ccccc1)C(=O)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000787629384 1076883126 /nfs/dbraw/zinc/88/31/26/1076883126.db2.gz ZPEVMIDTKAKLPP-UHFFFAOYSA-N 1 1 407.514 2.697 20 30 HFEDMO C[C@H](OC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1(C#N)CCC1 ZINC000787706796 1076920125 /nfs/dbraw/zinc/92/01/25/1076920125.db2.gz SFLCJBGUMCTBTF-YWZLYKJASA-N 1 1 423.435 2.935 20 30 HFEDMO Cc1nn(C)c(N2CC[NH+](Cc3cc(Br)cc(C)c3O)CC2)c1C#N ZINC000788268628 1077093839 /nfs/dbraw/zinc/09/38/39/1077093839.db2.gz HGMUQOCZPSWUFV-UHFFFAOYSA-N 1 1 404.312 2.699 20 30 HFEDMO C=CCn1c(-c2cccc(OC)c2)nn(CN(C)[C@H](C)C[NH+]2CCOCC2)c1=S ZINC000788377386 1077134373 /nfs/dbraw/zinc/13/43/73/1077134373.db2.gz HRKNPXGESFINDW-QGZVFWFLSA-N 1 1 417.579 2.886 20 30 HFEDMO C[N@H+]1CCC[C@H](CCNC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC001626111949 1077141781 /nfs/dbraw/zinc/14/17/81/1077141781.db2.gz UETPEQJKTWGCPT-MRXNPFEDSA-N 1 1 410.478 2.834 20 30 HFEDMO C=CC[C@@]1(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000790950629 1077252225 /nfs/dbraw/zinc/25/22/25/1077252225.db2.gz QRLWJJWZAZOANY-VGSWGCGISA-N 1 1 409.571 2.636 20 30 HFEDMO N#Cc1ccc(N2CC[NH+](C[C@@H](O)COc3ccccc3C(F)(F)F)CC2)cn1 ZINC000791052275 1077284206 /nfs/dbraw/zinc/28/42/06/1077284206.db2.gz XREYUXSBPXXJQM-QGZVFWFLSA-N 1 1 406.408 2.534 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000789062713 1077395070 /nfs/dbraw/zinc/39/50/70/1077395070.db2.gz PSNXWPFPWYNXCQ-IRLDBZIGSA-N 1 1 423.561 2.727 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)n1 ZINC000789220815 1077448809 /nfs/dbraw/zinc/44/88/09/1077448809.db2.gz SOGMCRZBTKSHID-XMMPIXPASA-N 1 1 423.561 2.729 20 30 HFEDMO COC(=O)C1(n2c(C(=O)N(C)C)cc3c[nH+]c(NCC(C)(C)S)nc32)CCCC1 ZINC001170302253 1077932455 /nfs/dbraw/zinc/93/24/55/1077932455.db2.gz BNEQZSMJQMRFTJ-UHFFFAOYSA-N 1 1 419.551 2.696 20 30 HFEDMO C#CCN(Cc1ccccc1)C(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000806444985 1079715395 /nfs/dbraw/zinc/71/53/95/1079715395.db2.gz JABPOVBGWLFXND-UHFFFAOYSA-N 1 1 414.550 2.774 20 30 HFEDMO C#CC[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000807337904 1080538835 /nfs/dbraw/zinc/53/88/35/1080538835.db2.gz YEMJPLRHDGGWSI-CVDCTZTESA-N 1 1 419.525 2.769 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000807469010 1080645833 /nfs/dbraw/zinc/64/58/33/1080645833.db2.gz DYOYGYXCUCRVSO-HSZRJFAPSA-N 1 1 424.589 2.597 20 30 HFEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000807544711 1080761428 /nfs/dbraw/zinc/76/14/28/1080761428.db2.gz ZGTMKNVSEYBFHF-LPHOPBHVSA-N 1 1 409.461 2.555 20 30 HFEDMO COc1ccc(C[C@](C)(CO)[NH2+]Cc2nnc(-c3cccc(C#N)c3)o2)cc1OC ZINC001176601347 1126150561 /nfs/dbraw/zinc/15/05/61/1126150561.db2.gz ZPVBYUBORHUGMH-JOCHJYFZSA-N 1 1 408.458 2.709 20 30 HFEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(Cl)nc1C#N)CC2 ZINC001164710697 720102064 /nfs/dbraw/zinc/10/20/64/720102064.db2.gz LEKIAIGZRXFXDG-KRWDZBQOSA-N 1 1 412.925 2.904 20 30 HFEDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ncc(CC#N)cc1Cl)CCC2 ZINC001164816309 720241247 /nfs/dbraw/zinc/24/12/47/720241247.db2.gz HUYWNNIREJTXQK-UHFFFAOYSA-N 1 1 400.914 2.608 20 30 HFEDMO N#Cc1cc(Cl)ncc1C(F)(F)N1CCc2[nH+]cc(Cn3cccn3)n2CC1 ZINC001164862624 721032061 /nfs/dbraw/zinc/03/20/61/721032061.db2.gz NBYMEWOUBACZCR-UHFFFAOYSA-N 1 1 403.824 2.656 20 30 HFEDMO N#Cc1ccc(-c2ccncc2)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880921 721136190 /nfs/dbraw/zinc/13/61/90/721136190.db2.gz XOTYTKQOAWVBAS-VXKWHMMOSA-N 1 1 412.497 2.890 20 30 HFEDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc5c(cc4C#N)CCCC5)C3)O2)CC1 ZINC001164893053 721434310 /nfs/dbraw/zinc/43/43/10/721434310.db2.gz IVBCXMSJIQHOSI-XUZZJYLKSA-N 1 1 409.578 2.597 20 30 HFEDMO Cc1nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c(Cl)cc1C#N ZINC001164885341 721451070 /nfs/dbraw/zinc/45/10/70/721451070.db2.gz DFBVQJOPKLEWRE-RXVVDRJESA-N 1 1 403.958 2.681 20 30 HFEDMO COC(=O)c1cc(C#N)cnc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165030166 721829312 /nfs/dbraw/zinc/82/93/12/721829312.db2.gz YDIDZNGZJIWWMQ-YYWHXJBOSA-N 1 1 405.502 2.872 20 30 HFEDMO N#Cc1cc2c(nc1N1CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C1)CCCC2 ZINC001164983359 722139948 /nfs/dbraw/zinc/13/99/48/722139948.db2.gz UQJWDRMQKXJHST-OFNKIYASSA-N 1 1 403.530 2.954 20 30 HFEDMO C=CCn1c(=S)n(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1-c1cnccn1 ZINC000772829454 1078094507 /nfs/dbraw/zinc/09/45/07/1078094507.db2.gz SKIZLIUMPQYTAU-APWZRJJASA-N 1 1 411.579 2.963 20 30 HFEDMO CCOc1ccc(C[NH+]2CCN(Cn3cc4c(c(C#N)c3=O)CCCC4)CC2)cc1 ZINC000793483511 1078189653 /nfs/dbraw/zinc/18/96/53/1078189653.db2.gz LWFSVIJSRVMKHC-UHFFFAOYSA-N 1 1 406.530 2.773 20 30 HFEDMO CCN1CC[NH+](CC(C)(C)NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 ZINC001129808212 1078505628 /nfs/dbraw/zinc/50/56/28/1078505628.db2.gz KNDZQMVOQAICPH-UHFFFAOYSA-N 1 1 407.518 2.891 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ccncc1 ZINC000804643505 1078693332 /nfs/dbraw/zinc/69/33/32/1078693332.db2.gz KMORVHYVECUZJV-NYVOZVTQSA-N 1 1 406.530 2.984 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ccncc1 ZINC000804643506 1078693379 /nfs/dbraw/zinc/69/33/79/1078693379.db2.gz KMORVHYVECUZJV-QIJUGHKUSA-N 1 1 406.530 2.984 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC)c1ccncc1 ZINC000805808932 1079284695 /nfs/dbraw/zinc/28/46/95/1079284695.db2.gz KNBCYDDCDSSTOI-YADHBBJMSA-N 1 1 421.545 2.723 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000805812836 1079287461 /nfs/dbraw/zinc/28/74/61/1079287461.db2.gz AMZISLUFZKFASO-IPJJNNNSSA-N 1 1 406.530 2.936 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000805812836 1079287467 /nfs/dbraw/zinc/28/74/67/1079287467.db2.gz AMZISLUFZKFASO-IPJJNNNSSA-N 1 1 406.530 2.936 20 30 HFEDMO C[C@@H](NC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000787350302 1076791400 /nfs/dbraw/zinc/79/14/00/1076791400.db2.gz QSMIWJBKPLNLDQ-HOYKHHGWSA-N 1 1 404.514 2.764 20 30 HFEDMO COc1cc([N+](=O)[O-])ccc1N=NCc1cc(C)n(CC[NH+]2CCOCC2)c1C ZINC000746681662 1076815541 /nfs/dbraw/zinc/81/55/41/1076815541.db2.gz NFRKHESMWOKZNB-UHFFFAOYSA-N 1 1 401.467 2.800 20 30 HFEDMO COc1ccc(CNC(=O)N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000746731782 1077071633 /nfs/dbraw/zinc/07/16/33/1077071633.db2.gz UONDPFRRHCGWMD-JTSKRJEESA-N 1 1 408.502 2.656 20 30 HFEDMO COc1ccc(CNC(=O)N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000746731782 1077071639 /nfs/dbraw/zinc/07/16/39/1077071639.db2.gz UONDPFRRHCGWMD-JTSKRJEESA-N 1 1 408.502 2.656 20 30 HFEDMO C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000788275536 1077095460 /nfs/dbraw/zinc/09/54/60/1077095460.db2.gz NLWOVYORNWFICO-NHCUHLMSSA-N 1 1 413.562 2.974 20 30 HFEDMO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)s1 ZINC000788573329 1077209837 /nfs/dbraw/zinc/20/98/37/1077209837.db2.gz OUBAUNOZPJQKMP-QZTJIDSGSA-N 1 1 408.527 2.646 20 30 HFEDMO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000792406080 1077838272 /nfs/dbraw/zinc/83/82/72/1077838272.db2.gz RSZFSBFTHQZXSD-RLLQIKCJSA-N 1 1 418.497 2.506 20 30 HFEDMO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC001130609961 1079629349 /nfs/dbraw/zinc/62/93/49/1079629349.db2.gz OHXPSSVFPZPNMU-DEOSSOPVSA-N 1 1 416.529 2.931 20 30 HFEDMO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807249120 1080405111 /nfs/dbraw/zinc/40/51/11/1080405111.db2.gz MPAVVGYMKKBJDD-KRWDZBQOSA-N 1 1 410.543 2.703 20 30 HFEDMO C=CCOc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)cc1 ZINC000807287176 1080448904 /nfs/dbraw/zinc/44/89/04/1080448904.db2.gz DJOFQEDBQQEVDA-UHFFFAOYSA-N 1 1 422.529 2.648 20 30 HFEDMO N#CCOc1cccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000807354731 1080516836 /nfs/dbraw/zinc/51/68/36/1080516836.db2.gz HXVFIMLRCLICTL-XMMPIXPASA-N 1 1 418.497 2.652 20 30 HFEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc3[nH]cc(C#N)c31)CC2 ZINC001164709966 720093771 /nfs/dbraw/zinc/09/37/71/720093771.db2.gz DOGRDRWKEUGXFY-LJQANCHMSA-N 1 1 417.517 2.732 20 30 HFEDMO CCOC(=O)c1cc(C)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COC)c1C#N ZINC001164813146 720093998 /nfs/dbraw/zinc/09/39/98/720093998.db2.gz SSVDQTNNSFKFNA-JPYJTQIMSA-N 1 1 412.534 2.623 20 30 HFEDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(C#N)c3ccccc3n1)CCC2 ZINC001164813931 720235895 /nfs/dbraw/zinc/23/58/95/720235895.db2.gz RVKKVLRYODJJNI-UHFFFAOYSA-N 1 1 402.502 2.914 20 30 HFEDMO N#Cc1cc(F)c(Cl)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741716 720810432 /nfs/dbraw/zinc/81/04/32/720810432.db2.gz BQBGQFZYOINXTI-LZLYRXPVSA-N 1 1 415.904 2.717 20 30 HFEDMO Cc1cc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C#N ZINC001164743938 720812330 /nfs/dbraw/zinc/81/23/30/720812330.db2.gz GZMWRCAHVHYKHQ-YQVWRLOYSA-N 1 1 411.941 2.886 20 30 HFEDMO Cc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(C#N)n1 ZINC001164752098 720905171 /nfs/dbraw/zinc/90/51/71/720905171.db2.gz NCYVYRHSBOIQAL-ZJSXRUAMSA-N 1 1 418.545 2.807 20 30 HFEDMO Cc1nc(C#N)cc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1 ZINC001164754243 720936623 /nfs/dbraw/zinc/93/66/23/720936623.db2.gz VFDYTRXBBWITKZ-URXFXBBRSA-N 1 1 418.545 2.807 20 30 HFEDMO N#Cc1cc(Cl)nc(C(F)(F)N2CCc3[nH+]cc(Cn4cccn4)n3CC2)c1 ZINC001164861997 721032216 /nfs/dbraw/zinc/03/22/16/721032216.db2.gz JLHDNGHYUKCFEM-UHFFFAOYSA-N 1 1 403.824 2.656 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccnc(Cl)c4C#N)C[C@H]3C2)cn1 ZINC001164765902 721083987 /nfs/dbraw/zinc/08/39/87/721083987.db2.gz KDTYEXZREUJICB-HUUCEWRRSA-N 1 1 406.868 2.843 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(C#N)c5cc([N+](=O)[O-])ccc5n4)C[C@@H]3C2)cn1 ZINC001164761011 721237011 /nfs/dbraw/zinc/23/70/11/721237011.db2.gz HATIGMGRQSEYFM-AEFFLSMTSA-N 1 1 417.473 2.706 20 30 HFEDMO COc1cc(C#N)nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164778607 721352504 /nfs/dbraw/zinc/35/25/04/721352504.db2.gz NKDSWYHRABITSW-QFIPXVFZSA-N 1 1 411.506 2.686 20 30 HFEDMO COc1cc(C#N)nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164778607 721352506 /nfs/dbraw/zinc/35/25/06/721352506.db2.gz NKDSWYHRABITSW-QFIPXVFZSA-N 1 1 411.506 2.686 20 30 HFEDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc5ccc(C#N)cc54)C3)O2)CC1 ZINC001164886132 721404208 /nfs/dbraw/zinc/40/42/08/721404208.db2.gz HVESEXSGDFFCFK-XUZZJYLKSA-N 1 1 405.546 2.872 20 30 HFEDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc5c(c4C#N)CCCC5)C3)O2)CC1 ZINC001164891144 721451522 /nfs/dbraw/zinc/45/15/22/721451522.db2.gz UGDRHNANJVNGGI-HYBUGGRVSA-N 1 1 409.578 2.597 20 30 HFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(Cl)nc1C#N)CC2 ZINC001164788741 721453970 /nfs/dbraw/zinc/45/39/70/721453970.db2.gz TZWYJGBYEGNJFN-QGZVFWFLSA-N 1 1 419.957 2.736 20 30 HFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(OC)c1C#N)CC2 ZINC001164786908 721457390 /nfs/dbraw/zinc/45/73/90/721457390.db2.gz QMLIYAOEMBWVDM-LJQANCHMSA-N 1 1 414.550 2.696 20 30 HFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC)cc(C#N)n1)CC2 ZINC001164785752 721461044 /nfs/dbraw/zinc/46/10/44/721461044.db2.gz NGCHOHUDGPVOAL-HXUWFJFHSA-N 1 1 414.550 2.696 20 30 HFEDMO COC(=O)c1cc(C#N)cnc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165030163 721829254 /nfs/dbraw/zinc/82/92/54/721829254.db2.gz YDIDZNGZJIWWMQ-DZFGPLHGSA-N 1 1 405.502 2.872 20 30 HFEDMO N#Cc1cc2c(nc1N1CCC3(CC1)COCC[N@@H+](Cc1ccncc1)C3)CCC2 ZINC001164962334 722060035 /nfs/dbraw/zinc/06/00/35/722060035.db2.gz RBXHNWYSLVDWRA-UHFFFAOYSA-N 1 1 403.530 2.956 20 30 HFEDMO C=CC[C@@]1(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790648444 1078093539 /nfs/dbraw/zinc/09/35/39/1078093539.db2.gz YKQMFWBWAIDVLC-XXBNENTESA-N 1 1 420.598 2.571 20 30 HFEDMO C=CCn1c(=S)n(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc1-c1cnccn1 ZINC000772829460 1078094576 /nfs/dbraw/zinc/09/45/76/1078094576.db2.gz SKIZLIUMPQYTAU-VQIMIIECSA-N 1 1 411.579 2.963 20 30 HFEDMO C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793491517 1078200723 /nfs/dbraw/zinc/20/07/23/1078200723.db2.gz TUDZKDBRICFRJZ-HXUWFJFHSA-N 1 1 420.557 2.779 20 30 HFEDMO C#C[C@@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1F ZINC000805779311 1079249693 /nfs/dbraw/zinc/24/96/93/1079249693.db2.gz UIEVTDOPHGJRPD-IHBAFOEMSA-N 1 1 420.916 2.536 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000805815716 1079288609 /nfs/dbraw/zinc/28/86/09/1079288609.db2.gz UKYZXMHUWUQRKD-RTWAWAEBSA-N 1 1 424.570 2.549 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000805815716 1079288614 /nfs/dbraw/zinc/28/86/14/1079288614.db2.gz UKYZXMHUWUQRKD-RTWAWAEBSA-N 1 1 424.570 2.549 20 30 HFEDMO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000746675632 1076750046 /nfs/dbraw/zinc/75/00/46/1076750046.db2.gz OOGYKQHZQYYGQD-RBUKOAKNSA-N 1 1 407.518 2.656 20 30 HFEDMO CCCCCCCCn1nc(C)c(S(=O)(=O)N2CCC[N@H+](CCO)CC2)c1C ZINC000772708641 1076982457 /nfs/dbraw/zinc/98/24/57/1076982457.db2.gz XSJUCPRKMVPTME-UHFFFAOYSA-N 1 1 414.616 2.549 20 30 HFEDMO CCCCCCCCn1nc(C)c(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)c1C ZINC000772708641 1076982458 /nfs/dbraw/zinc/98/24/58/1076982458.db2.gz XSJUCPRKMVPTME-UHFFFAOYSA-N 1 1 414.616 2.549 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)n1 ZINC000788991060 1077375225 /nfs/dbraw/zinc/37/52/25/1077375225.db2.gz WIHISSZYKVPRRR-QFIPXVFZSA-N 1 1 415.582 2.719 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)n1 ZINC000788997911 1077377018 /nfs/dbraw/zinc/37/70/18/1077377018.db2.gz RYQHQQHXUFZUNC-LJQANCHMSA-N 1 1 403.571 2.575 20 30 HFEDMO N#Cc1cccc(NC(=O)C2CC[NH+](CCS(=O)(=O)Cc3ccccc3)CC2)c1 ZINC000791477087 1077418606 /nfs/dbraw/zinc/41/86/06/1077418606.db2.gz ASJKNOWSVRWHLK-UHFFFAOYSA-N 1 1 411.527 2.824 20 30 HFEDMO C#CCn1ccc(C[N@H+](CCOC)CCC(=O)Nc2ccc(Br)cc2)n1 ZINC000789316768 1077516501 /nfs/dbraw/zinc/51/65/01/1077516501.db2.gz FBANFQOGUUMELG-UHFFFAOYSA-N 1 1 419.323 2.756 20 30 HFEDMO C#CCn1ccc(C[N@@H+](CCOC)CCC(=O)Nc2ccc(Br)cc2)n1 ZINC000789316768 1077516506 /nfs/dbraw/zinc/51/65/06/1077516506.db2.gz FBANFQOGUUMELG-UHFFFAOYSA-N 1 1 419.323 2.756 20 30 HFEDMO CN(C(=O)C(=O)Nc1cccc(OCC#N)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000746808393 1077566115 /nfs/dbraw/zinc/56/61/15/1077566115.db2.gz UQDIYOBLBVSWJI-HXUWFJFHSA-N 1 1 406.486 2.650 20 30 HFEDMO Cn1cc([C@H](O)C[C@H]2CCC[N@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)cn1 ZINC000789738634 1077773923 /nfs/dbraw/zinc/77/39/23/1077773923.db2.gz FZHRKGKJYGBHBG-NHCUHLMSSA-N 1 1 405.506 2.680 20 30 HFEDMO N#CC1(c2ccccc2)CCC([N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)CC1 ZINC001170384443 1077956247 /nfs/dbraw/zinc/95/62/47/1077956247.db2.gz YABLRYKOKOCAOT-CEDMTORYSA-N 1 1 423.557 2.586 20 30 HFEDMO CNC(=O)CN1CCOC[C@]2(CCC[N@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)C1 ZINC001170383429 1077964297 /nfs/dbraw/zinc/96/42/97/1077964297.db2.gz LOVFKXFKBDVCDD-KWKWTDQQSA-N 1 1 424.589 2.551 20 30 HFEDMO CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170382606 1077964302 /nfs/dbraw/zinc/96/43/02/1077964302.db2.gz BPBBKQLHZIASHV-KGLJTUJHSA-N 1 1 411.546 2.777 20 30 HFEDMO N#CCOc1ccc(CC(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001130733001 1079970889 /nfs/dbraw/zinc/97/08/89/1079970889.db2.gz HHNRATBFZBNPBJ-GOTSBHOMSA-N 1 1 405.498 2.633 20 30 HFEDMO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC[N@H+]1C ZINC000807250380 1080410135 /nfs/dbraw/zinc/41/01/35/1080410135.db2.gz ZCYLIOXKPWCJLT-YJBOKZPZSA-N 1 1 410.543 2.844 20 30 HFEDMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC001170521925 1080513687 /nfs/dbraw/zinc/51/36/87/1080513687.db2.gz PJABLSUMMYGDIO-UHFFFAOYSA-N 1 1 407.430 2.996 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000807337903 1080538890 /nfs/dbraw/zinc/53/88/90/1080538890.db2.gz YEMJPLRHDGGWSI-AUSIDOKSSA-N 1 1 419.525 2.769 20 30 HFEDMO C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000807404123 1080598616 /nfs/dbraw/zinc/59/86/16/1080598616.db2.gz ZNDFUVUSOVMNTQ-PMACEKPBSA-N 1 1 419.525 2.896 20 30 HFEDMO C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000807405505 1080600994 /nfs/dbraw/zinc/60/09/94/1080600994.db2.gz BSBBLWZYBWLMRW-UHFFFAOYSA-N 1 1 424.932 2.692 20 30 HFEDMO C#C[C@@H](NC(=O)C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1)C(C)(C)C ZINC000807536166 1080750942 /nfs/dbraw/zinc/75/09/42/1080750942.db2.gz KYKVNIVRZCGUNP-LJQANCHMSA-N 1 1 412.534 2.522 20 30 HFEDMO C#C[C@@H](NC(=O)C(=O)Nc1cc(C)nn1[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000807536782 1080752339 /nfs/dbraw/zinc/75/23/39/1080752339.db2.gz ZVVJRVALLXEMRS-VQTJNVASSA-N 1 1 421.545 2.741 20 30 HFEDMO CSc1nc(Cl)c(C=NO)c(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164729250 720356299 /nfs/dbraw/zinc/35/62/99/720356299.db2.gz XQKBLNOGZZCCPB-GJZGRUSLSA-N 1 1 404.927 2.908 20 30 HFEDMO Cc1c(Cl)c(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1C#N ZINC001164743626 720648572 /nfs/dbraw/zinc/64/85/72/720648572.db2.gz PRQHJZXERVWYSF-OLZOCXBDSA-N 1 1 405.289 2.700 20 30 HFEDMO COCC[N@H+]1CCO[C@H]2CN(c3nc4ccccc4c(Cl)c3C#N)CC[C@H]2C1 ZINC001164864458 720873292 /nfs/dbraw/zinc/87/32/92/720873292.db2.gz VUESBOHPDLNBJR-KXBFYZLASA-N 1 1 400.910 2.933 20 30 HFEDMO Cc1cc(Cl)nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c1C#N ZINC001164885031 721385238 /nfs/dbraw/zinc/38/52/38/721385238.db2.gz BXEJHKVQYIDSBU-DYESRHJHSA-N 1 1 403.958 2.681 20 30 HFEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164791594 721402585 /nfs/dbraw/zinc/40/25/85/721402585.db2.gz ZNSRMLQPSDUGBU-OKILXGFUSA-N 1 1 417.922 2.808 20 30 HFEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1 ZINC001164791594 721402586 /nfs/dbraw/zinc/40/25/86/721402586.db2.gz ZNSRMLQPSDUGBU-OKILXGFUSA-N 1 1 417.922 2.808 20 30 HFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ncc1C#N)CC2 ZINC001164784253 721454816 /nfs/dbraw/zinc/45/48/16/721454816.db2.gz DPUABXDASFVOHF-SFHVURJKSA-N 1 1 419.957 2.736 20 30 HFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nccc(C#N)c1F)CC2 ZINC001164784223 721459554 /nfs/dbraw/zinc/45/95/54/721459554.db2.gz HFJWGDBRHNHLSU-IBGZPJMESA-N 1 1 402.514 2.826 20 30 HFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3ccc(C#N)cc32)[C@@H]2CCCO[C@H]12 ZINC001164803107 721537482 /nfs/dbraw/zinc/53/74/82/721537482.db2.gz ICHCAQFKVDPDDI-VSKRKVRLSA-N 1 1 400.486 2.765 20 30 HFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3ccc(C#N)cc32)[C@@H]2CCCO[C@H]12 ZINC001164803107 721537486 /nfs/dbraw/zinc/53/74/86/721537486.db2.gz ICHCAQFKVDPDDI-VSKRKVRLSA-N 1 1 400.486 2.765 20 30 HFEDMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2ccc(Cl)nc2C#N)CC1 ZINC001165011116 721734969 /nfs/dbraw/zinc/73/49/69/721734969.db2.gz MBRFWCUAPFUTJO-UHFFFAOYSA-N 1 1 411.884 2.675 20 30 HFEDMO C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000790629490 1078067804 /nfs/dbraw/zinc/06/78/04/1078067804.db2.gz OJNGRSZUSUKTDM-FDDCHVKYSA-N 1 1 420.598 2.617 20 30 HFEDMO C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)CCCN1C(=O)OC(C)(C)C ZINC000790629490 1078067808 /nfs/dbraw/zinc/06/78/08/1078067808.db2.gz OJNGRSZUSUKTDM-FDDCHVKYSA-N 1 1 420.598 2.617 20 30 HFEDMO O=C(OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccc(-c2nc[nH]n2)c1 ZINC000793178492 1078094977 /nfs/dbraw/zinc/09/49/77/1078094977.db2.gz FKYYGOLVCRUDJP-UHFFFAOYSA-N 1 1 416.481 2.903 20 30 HFEDMO C=CCOc1ccc(CN2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC000793602945 1078221325 /nfs/dbraw/zinc/22/13/25/1078221325.db2.gz AKHMNLVHXVKQMA-SFHVURJKSA-N 1 1 405.539 2.901 20 30 HFEDMO C=CCOc1ccc(CN2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1OC ZINC000793602945 1078221328 /nfs/dbraw/zinc/22/13/28/1078221328.db2.gz AKHMNLVHXVKQMA-SFHVURJKSA-N 1 1 405.539 2.901 20 30 HFEDMO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2C#N)C1 ZINC000794323139 1078413939 /nfs/dbraw/zinc/41/39/39/1078413939.db2.gz WWKUYFXUVHBGIP-MRXNPFEDSA-N 1 1 404.486 2.550 20 30 HFEDMO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2C#N)C1 ZINC000794323139 1078413943 /nfs/dbraw/zinc/41/39/43/1078413943.db2.gz WWKUYFXUVHBGIP-MRXNPFEDSA-N 1 1 404.486 2.550 20 30 HFEDMO CON=Cc1ccc(C(=O)N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000804446493 1078513621 /nfs/dbraw/zinc/51/36/21/1078513621.db2.gz IMFPTFDRPZEVEM-QHCPKHFHSA-N 1 1 406.530 2.699 20 30 HFEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C ZINC000747230384 1078947581 /nfs/dbraw/zinc/94/75/81/1078947581.db2.gz RFANTDPGSQBCQI-WOJBJXKFSA-N 1 1 407.518 2.674 20 30 HFEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C ZINC000747230382 1078947625 /nfs/dbraw/zinc/94/76/25/1078947625.db2.gz RFANTDPGSQBCQI-UXHICEINSA-N 1 1 407.518 2.674 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805805792 1079281821 /nfs/dbraw/zinc/28/18/21/1079281821.db2.gz FFRSUBIEROAAGZ-QPPBQGQZSA-N 1 1 406.530 2.843 20 30 HFEDMO N#CCOc1cccc(CC(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001130528510 1079465017 /nfs/dbraw/zinc/46/50/17/1079465017.db2.gz NQTBZKGNSFLKNH-DHIUTWEWSA-N 1 1 405.498 2.633 20 30 HFEDMO C#CCN(C(=O)C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1)C1CCCC1 ZINC000787598051 1076887121 /nfs/dbraw/zinc/88/71/21/1076887121.db2.gz KUDVTQRRJKZHOJ-OAQYLSRUSA-N 1 1 411.546 2.743 20 30 HFEDMO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)c2)s1 ZINC000788801756 1077292901 /nfs/dbraw/zinc/29/29/01/1077292901.db2.gz ZLUWINCDCLOFBZ-INIZCTEOSA-N 1 1 408.527 2.503 20 30 HFEDMO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC2)cn1 ZINC000791188651 1077318647 /nfs/dbraw/zinc/31/86/47/1077318647.db2.gz IQBFVZFXCYSIPQ-QFIPXVFZSA-N 1 1 407.493 2.796 20 30 HFEDMO N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC2)cn1 ZINC000791188651 1077318652 /nfs/dbraw/zinc/31/86/52/1077318652.db2.gz IQBFVZFXCYSIPQ-QFIPXVFZSA-N 1 1 407.493 2.796 20 30 HFEDMO C[C@H]1C[NH+](Cc2ccc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2)C[C@H](C)O1 ZINC000791187769 1077332677 /nfs/dbraw/zinc/33/26/77/1077332677.db2.gz CUCZGMNVRWJRGU-OALUTQOASA-N 1 1 419.529 2.525 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000789165686 1077440656 /nfs/dbraw/zinc/44/06/56/1077440656.db2.gz ACXSCCNKCDTFJS-RBBKRZOGSA-N 1 1 423.561 2.585 20 30 HFEDMO Cn1cc([C@@H](O)C[C@@H]2CCC[N@H+]2Cc2cn(CCC#N)nc2-c2ccncc2)cn1 ZINC000789738636 1077773969 /nfs/dbraw/zinc/77/39/69/1077773969.db2.gz FZHRKGKJYGBHBG-SFTDATJTSA-N 1 1 405.506 2.680 20 30 HFEDMO CCn1cc([C@@H](O)C[N@H+](CC(=O)Nc2ccc(C#N)cc2)Cc2ccccc2)cn1 ZINC000792364669 1077816789 /nfs/dbraw/zinc/81/67/89/1077816789.db2.gz ILZQVGYSGCASFP-QFIPXVFZSA-N 1 1 403.486 2.949 20 30 HFEDMO CCn1cc([C@@H](O)C[N@@H+](CC(=O)Nc2ccc(C#N)cc2)Cc2ccccc2)cn1 ZINC000792364669 1077816796 /nfs/dbraw/zinc/81/67/96/1077816796.db2.gz ILZQVGYSGCASFP-QFIPXVFZSA-N 1 1 403.486 2.949 20 30 HFEDMO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792368100 1077817947 /nfs/dbraw/zinc/81/79/47/1077817947.db2.gz ITYMNBUNRZGAIS-MJGOQNOKSA-N 1 1 406.486 2.554 20 30 HFEDMO C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000792368099 1077817980 /nfs/dbraw/zinc/81/79/80/1077817980.db2.gz ITYMNBUNRZGAIS-IEBWSBKVSA-N 1 1 406.486 2.554 20 30 HFEDMO N#Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC001170183290 1077903350 /nfs/dbraw/zinc/90/33/50/1077903350.db2.gz FOIZCBMXDQTFLH-XZOQPEGZSA-N 1 1 421.541 2.901 20 30 HFEDMO C=CC[C@]1(C(=O)NC[C@H]2C[N@@H+](CC(C)C)CCO2)CCCN1C(=O)OC(C)(C)C ZINC000790219881 1077972864 /nfs/dbraw/zinc/97/28/64/1077972864.db2.gz NLGNEEKVKMFHCZ-PGRDOPGGSA-N 1 1 409.571 2.805 20 30 HFEDMO C=C(CNC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 ZINC000806446305 1079716143 /nfs/dbraw/zinc/71/61/43/1079716143.db2.gz YPHIHEGQLGTMNC-UHFFFAOYSA-N 1 1 402.539 2.942 20 30 HFEDMO Cc1[nH+]ccn1-c1ccc(CNC(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)cn1 ZINC000806456168 1079725799 /nfs/dbraw/zinc/72/57/99/1079725799.db2.gz HCURRNJWNWLCME-CQSZACIVSA-N 1 1 424.486 2.583 20 30 HFEDMO N#CCOc1ccc(CC(=O)N2CCO[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC001130733003 1079970957 /nfs/dbraw/zinc/97/09/57/1079970957.db2.gz HHNRATBFZBNPBJ-XZOQPEGZSA-N 1 1 405.498 2.633 20 30 HFEDMO C#CCN(Cc1ccccc1)C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000806761767 1079982004 /nfs/dbraw/zinc/98/20/04/1079982004.db2.gz LUNLWJVMRUDVPV-QHCPKHFHSA-N 1 1 418.541 2.729 20 30 HFEDMO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807248769 1080406017 /nfs/dbraw/zinc/40/60/17/1080406017.db2.gz WEYMQFRNMQNPAT-IBGZPJMESA-N 1 1 410.543 2.702 20 30 HFEDMO CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807248769 1080406019 /nfs/dbraw/zinc/40/60/19/1080406019.db2.gz WEYMQFRNMQNPAT-IBGZPJMESA-N 1 1 410.543 2.702 20 30 HFEDMO CC(C)[N@H+]1CCCN(C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 ZINC000807250177 1080406865 /nfs/dbraw/zinc/40/68/65/1080406865.db2.gz TXLUPBQSPLNNII-UHFFFAOYSA-N 1 1 410.543 2.846 20 30 HFEDMO C[N@H+]1CCC[C@H](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)[C@@H]1c1cccs1 ZINC000807582969 1080795458 /nfs/dbraw/zinc/79/54/58/1080795458.db2.gz XIFXSGBPXWWKOV-DNVCBOLYSA-N 1 1 414.506 2.574 20 30 HFEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(SC)nc(Cl)c1C#N)C2 ZINC001164813700 720066265 /nfs/dbraw/zinc/06/62/65/720066265.db2.gz VIUIXBCRKSUCRD-KUHUBIRLSA-N 1 1 407.971 2.908 20 30 HFEDMO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164733421 720464948 /nfs/dbraw/zinc/46/49/48/720464948.db2.gz PLCKWQYTZREYBM-GUDVDZBRSA-N 1 1 420.517 2.674 20 30 HFEDMO N#Cc1c(Cl)c2ccccc2nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164746341 720753964 /nfs/dbraw/zinc/75/39/64/720753964.db2.gz XORPHNWLMPVUMU-LSDHHAIUSA-N 1 1 406.877 2.892 20 30 HFEDMO COCC[N@H+]1CCO[C@@H]2CN(c3nc(-c4ccc(F)cc4)ccc3C#N)CC[C@@H]2C1 ZINC001164852983 720836166 /nfs/dbraw/zinc/83/61/66/720836166.db2.gz MVFBQHSUKWBFNW-DENIHFKCSA-N 1 1 410.493 2.933 20 30 HFEDMO COCC[N@H+]1CCO[C@@H]2CN(c3ccc([C@H](C#N)c4ccc(C)cc4)nn3)CC[C@H]2C1 ZINC001164854785 720836968 /nfs/dbraw/zinc/83/69/68/720836968.db2.gz SHMPPQQGLSPNJW-QZNHQXDQSA-N 1 1 421.545 2.614 20 30 HFEDMO COCC[N@H+]1CCO[C@H]2CN(c3cc(C#N)c4cc(Cl)ccc4n3)CC[C@H]2C1 ZINC001164860804 720886862 /nfs/dbraw/zinc/88/68/62/720886862.db2.gz PEAHJJLXKICGDY-YWZLYKJASA-N 1 1 400.910 2.933 20 30 HFEDMO Cc1nc(C#N)cc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1 ZINC001164754245 720935914 /nfs/dbraw/zinc/93/59/14/720935914.db2.gz VFDYTRXBBWITKZ-ZJSXRUAMSA-N 1 1 418.545 2.807 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4c(C#N)cnc5cnc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164774297 721086831 /nfs/dbraw/zinc/08/68/31/721086831.db2.gz ZRRFTWLIOMGMSK-DOTOQJQBSA-N 1 1 407.909 2.847 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(C#N)c4)C[C@@H]3C2)cn1 ZINC001164773267 721124529 /nfs/dbraw/zinc/12/45/29/721124529.db2.gz XQDQMMLRGYVANP-GJZGRUSLSA-N 1 1 406.868 2.843 20 30 HFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(Cl)nc3C#N)C2)C1 ZINC001164779518 721339422 /nfs/dbraw/zinc/33/94/22/721339422.db2.gz UOEXEBUKKNVGRX-HXUWFJFHSA-N 1 1 416.913 2.726 20 30 HFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc(Cl)nc3C#N)C2)C1 ZINC001164779518 721339426 /nfs/dbraw/zinc/33/94/26/721339426.db2.gz UOEXEBUKKNVGRX-HXUWFJFHSA-N 1 1 416.913 2.726 20 30 HFEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1 ZINC001164791591 721402291 /nfs/dbraw/zinc/40/22/91/721402291.db2.gz ZNSRMLQPSDUGBU-KBPBESRZSA-N 1 1 417.922 2.808 20 30 HFEDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc(C5(C#N)CCC5)cn4)C3)O2)CC1 ZINC001164883592 721411316 /nfs/dbraw/zinc/41/13/16/721411316.db2.gz BEDWCIDMUODPKY-XUZZJYLKSA-N 1 1 409.578 2.792 20 30 HFEDMO N#Cc1cc(C#N)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164981596 722116303 /nfs/dbraw/zinc/11/63/03/722116303.db2.gz UPMQZFDHYQOJTD-VQIMIIECSA-N 1 1 408.893 2.601 20 30 HFEDMO N#Cc1cc2c(nc1N1CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C1)CCCC2 ZINC001164983361 722139888 /nfs/dbraw/zinc/13/98/88/722139888.db2.gz UQJWDRMQKXJHST-REWPJTCUSA-N 1 1 403.530 2.954 20 30 HFEDMO CC[C@H](C#N)Oc1cc(CNC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)ccc1OC ZINC000793501405 1078204449 /nfs/dbraw/zinc/20/44/49/1078204449.db2.gz JQZDNOOYQUIKOO-QGZVFWFLSA-N 1 1 422.489 2.842 20 30 HFEDMO CN(C(=O)c1ccc(NCc2cnc3ccc(C#N)cn23)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000793604326 1078221650 /nfs/dbraw/zinc/22/16/50/1078221650.db2.gz FOQJLIKTQFOLEW-HXUWFJFHSA-N 1 1 402.502 2.984 20 30 HFEDMO C#C[C@H](NC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1)c1ccc(Cl)cc1F ZINC000804419399 1078468546 /nfs/dbraw/zinc/46/85/46/1078468546.db2.gz MCVDDYJMQHTMLZ-OGWOLHLISA-N 1 1 405.901 2.602 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000805199374 1078952638 /nfs/dbraw/zinc/95/26/38/1078952638.db2.gz YXYQHXKYBMWCNI-URXFXBBRSA-N 1 1 406.530 2.986 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000805808626 1079283830 /nfs/dbraw/zinc/28/38/30/1079283830.db2.gz HXPMQCXSOACECQ-SIKLNZKXSA-N 1 1 406.530 2.938 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(OC)cc2)CC1)c1ccncc1 ZINC000805815187 1079289157 /nfs/dbraw/zinc/28/91/57/1079289157.db2.gz ZQLXUYGVNNVATD-QFIPXVFZSA-N 1 1 422.529 2.558 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1)c1ccncc1 ZINC000805815187 1079289160 /nfs/dbraw/zinc/28/91/60/1079289160.db2.gz ZQLXUYGVNNVATD-QFIPXVFZSA-N 1 1 422.529 2.558 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)c1ccncc1 ZINC000787623464 1076882406 /nfs/dbraw/zinc/88/24/06/1076882406.db2.gz ADZZICCMCRTQIY-OAQYLSRUSA-N 1 1 406.530 2.768 20 30 HFEDMO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H]([NH+]2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000787685620 1076911158 /nfs/dbraw/zinc/91/11/58/1076911158.db2.gz FPXSKXDZMRJNKH-KNQAVFIVSA-N 1 1 418.513 2.580 20 30 HFEDMO C=CC[C@@]1(C(=O)N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C ZINC000790950626 1077252269 /nfs/dbraw/zinc/25/22/69/1077252269.db2.gz QRLWJJWZAZOANY-JTSKRJEESA-N 1 1 409.571 2.636 20 30 HFEDMO CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000788726875 1077273600 /nfs/dbraw/zinc/27/36/00/1077273600.db2.gz UQMCLMHFPFERJK-HXUWFJFHSA-N 1 1 424.545 2.850 20 30 HFEDMO CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000788726875 1077273604 /nfs/dbraw/zinc/27/36/04/1077273604.db2.gz UQMCLMHFPFERJK-HXUWFJFHSA-N 1 1 424.545 2.850 20 30 HFEDMO N#Cc1ccc(N2CC[NH+](Cc3cccc(C(=O)NCc4ccco4)c3)CC2)cn1 ZINC000791052839 1077283955 /nfs/dbraw/zinc/28/39/55/1077283955.db2.gz FZTXGAKIGLFYJL-UHFFFAOYSA-N 1 1 401.470 2.798 20 30 HFEDMO CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+](CC#Cc3ccccc3)C2)CC1 ZINC000792209884 1077765043 /nfs/dbraw/zinc/76/50/43/1077765043.db2.gz XHJPZQSWLTTXPT-OAQYLSRUSA-N 1 1 411.546 2.829 20 30 HFEDMO N#Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC001170183288 1077903420 /nfs/dbraw/zinc/90/34/20/1077903420.db2.gz FOIZCBMXDQTFLH-GOTSBHOMSA-N 1 1 421.541 2.901 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n1 ZINC000790103975 1077950372 /nfs/dbraw/zinc/95/03/72/1077950372.db2.gz FFLKULRQXATSLW-HXUWFJFHSA-N 1 1 423.561 2.998 20 30 HFEDMO CN(C)C(=O)CN1CC[C@]2(CCC[N@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)C1=O ZINC001170381126 1077963584 /nfs/dbraw/zinc/96/35/84/1077963584.db2.gz HVXPREDDJMOLDD-MTQWGCILSA-N 1 1 422.573 2.793 20 30 HFEDMO N#CC1(c2cccnc2NCCOCCOCC[NH3+])CCN(Cc2ccccc2)CC1 ZINC001170505987 1079563583 /nfs/dbraw/zinc/56/35/83/1079563583.db2.gz XTRFDJBBDHSTFG-UHFFFAOYSA-N 1 1 423.561 2.543 20 30 HFEDMO C#CCOc1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000807355733 1080517602 /nfs/dbraw/zinc/51/76/02/1080517602.db2.gz XVUGJGUSVMDYIZ-RUZDIDTESA-N 1 1 417.509 2.762 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000807470471 1080652155 /nfs/dbraw/zinc/65/21/55/1080652155.db2.gz SDPHBNBGBPKQPM-LJQANCHMSA-N 1 1 411.468 2.917 20 30 HFEDMO C#C[C@H](NC(=O)C(=O)Nc1c(C)cnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000807535932 1080751432 /nfs/dbraw/zinc/75/14/32/1080751432.db2.gz GUTDUKLTVVDKPP-UXHICEINSA-N 1 1 421.545 2.741 20 30 HFEDMO C[N@H+]1CCO[C@@H]2CN(c3nc(C#C[Si](C)(C)C)ccc3NC(=O)C(C)(C)C)C[C@@H]21 ZINC001164674296 719418720 /nfs/dbraw/zinc/41/87/20/719418720.db2.gz WAGIRDSORFPNGA-RBUKOAKNSA-N 1 1 414.626 2.814 20 30 HFEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(SC)nc(Cl)c1C#N)C2 ZINC001164813702 720066637 /nfs/dbraw/zinc/06/66/37/720066637.db2.gz VIUIXBCRKSUCRD-LIRRHRJNSA-N 1 1 407.971 2.908 20 30 HFEDMO Cc1c(Cl)c(Cl)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1C#N ZINC001164743628 720648750 /nfs/dbraw/zinc/64/87/50/720648750.db2.gz PRQHJZXERVWYSF-STQMWFEESA-N 1 1 405.289 2.700 20 30 HFEDMO CSc1nc(Cl)c(C#N)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164871482 721040492 /nfs/dbraw/zinc/04/04/92/721040492.db2.gz ZDHIEDGSPKWISI-HUUCEWRRSA-N 1 1 416.938 2.598 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)cc4C#N)C[C@H]3C2)cn1 ZINC001164770164 721174542 /nfs/dbraw/zinc/17/45/42/721174542.db2.gz NZYVDRCEAFFQJZ-GDBMZVCRSA-N 1 1 406.868 2.843 20 30 HFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cnc1C#N)CC2 ZINC001164787793 721453833 /nfs/dbraw/zinc/45/38/33/721453833.db2.gz QPPJAAAELPPFAB-QGZVFWFLSA-N 1 1 419.957 2.736 20 30 HFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(C#N)cc1C#N)CC2 ZINC001164786426 721455228 /nfs/dbraw/zinc/45/52/28/721455228.db2.gz MKZNAYMTTILUDK-OAQYLSRUSA-N 1 1 409.534 2.559 20 30 HFEDMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2nc(Cl)ccc2C#N)CC1 ZINC001165011897 721738340 /nfs/dbraw/zinc/73/83/40/721738340.db2.gz WIBGMLXLALCVMT-UHFFFAOYSA-N 1 1 411.884 2.675 20 30 HFEDMO CCc1nc(C#N)c(C#N)nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165022305 721829550 /nfs/dbraw/zinc/82/95/50/721829550.db2.gz GVIJSUSBWIDJMK-SGXKBVARSA-N 1 1 401.518 2.914 20 30 HFEDMO CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045012 721961525 /nfs/dbraw/zinc/96/15/25/721961525.db2.gz RYJUELQQJYBLIB-IBGZPJMESA-N 1 1 423.517 2.626 20 30 HFEDMO CC(N=Nc1ccccc1S(=O)(=O)N(C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000793182720 1078095582 /nfs/dbraw/zinc/09/55/82/1078095582.db2.gz MVKTYVHTBKAHLC-FQEVSTJZSA-N 1 1 416.547 2.626 20 30 HFEDMO CC(N=Nc1ccccc1S(=O)(=O)N(C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000793182720 1078095586 /nfs/dbraw/zinc/09/55/86/1078095586.db2.gz MVKTYVHTBKAHLC-FQEVSTJZSA-N 1 1 416.547 2.626 20 30 HFEDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)C(=O)N(Cc1ccc(C#N)cc1)C(C)C ZINC000793809660 1078314408 /nfs/dbraw/zinc/31/44/08/1078314408.db2.gz QAHROIBQRLXVHE-UHFFFAOYSA-N 1 1 416.485 2.501 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1)c1ccncc1 ZINC000793899766 1078332850 /nfs/dbraw/zinc/33/28/50/1078332850.db2.gz RHJWJUSWWRIIIP-LJQANCHMSA-N 1 1 407.449 2.765 20 30 HFEDMO C[C@H](NC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000804403244 1078466782 /nfs/dbraw/zinc/46/67/82/1078466782.db2.gz ZJBHVMBKVBNVGP-MHECFPHRSA-N 1 1 404.514 2.764 20 30 HFEDMO C#CCNc1nc(N[C@H]2CCOC3(CCC3)C2)nc(N[C@H]2CCOC3(CCC3)C2)[nH+]1 ZINC000804562692 1078598453 /nfs/dbraw/zinc/59/84/53/1078598453.db2.gz QNWGDTOCFRHVPR-IRXDYDNUSA-N 1 1 412.538 2.944 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000804946299 1078775587 /nfs/dbraw/zinc/77/55/87/1078775587.db2.gz CVSLHTNJZLJKAM-HSZRJFAPSA-N 1 1 418.541 2.508 20 30 HFEDMO C#CC[C@@H](Cc1ccccc1)NC(=O)NCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000805013702 1078824512 /nfs/dbraw/zinc/82/45/12/1078824512.db2.gz DWTZIBGOXWHCOJ-QFIPXVFZSA-N 1 1 420.557 2.751 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000805199373 1078952615 /nfs/dbraw/zinc/95/26/15/1078952615.db2.gz YXYQHXKYBMWCNI-QPPBQGQZSA-N 1 1 406.530 2.986 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000805199375 1078952701 /nfs/dbraw/zinc/95/27/01/1078952701.db2.gz YXYQHXKYBMWCNI-XUZZJYLKSA-N 1 1 406.530 2.986 20 30 HFEDMO CC(C)c1ccc(C[NH+]2CCN(C(=O)COC(=O)c3cnccc3C#N)CC2)cc1 ZINC000805714632 1079233631 /nfs/dbraw/zinc/23/36/31/1079233631.db2.gz BOVTYLFNPPVMRB-UHFFFAOYSA-N 1 1 406.486 2.578 20 30 HFEDMO C[N@@H+]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001130549859 1079486526 /nfs/dbraw/zinc/48/65/26/1079486526.db2.gz JMKAFOGNUFIMNG-PMACEKPBSA-N 1 1 414.550 2.959 20 30 HFEDMO C[N@H+]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001130549859 1079486529 /nfs/dbraw/zinc/48/65/29/1079486529.db2.gz JMKAFOGNUFIMNG-PMACEKPBSA-N 1 1 414.550 2.959 20 30 HFEDMO C[C@H](NC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000787350306 1076791633 /nfs/dbraw/zinc/79/16/33/1076791633.db2.gz QSMIWJBKPLNLDQ-MHECFPHRSA-N 1 1 404.514 2.764 20 30 HFEDMO CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H]([N@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC000787716914 1076924643 /nfs/dbraw/zinc/92/46/43/1076924643.db2.gz KFKSIANHQIECRJ-NZQKXSOJSA-N 1 1 414.550 2.831 20 30 HFEDMO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([N@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC000787716921 1076924650 /nfs/dbraw/zinc/92/46/50/1076924650.db2.gz KFKSIANHQIECRJ-REWPJTCUSA-N 1 1 414.550 2.831 20 30 HFEDMO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([NH+]2CCN([C@@H](C#N)c3ccccc3)CC2)C1 ZINC000787731350 1076933753 /nfs/dbraw/zinc/93/37/53/1076933753.db2.gz QGMADLCGHXEZKO-JTAQYXEDSA-N 1 1 414.550 2.629 20 30 HFEDMO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H]([NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1 ZINC000787731357 1076933780 /nfs/dbraw/zinc/93/37/80/1076933780.db2.gz QGMADLCGHXEZKO-VIZSFHNOSA-N 1 1 414.550 2.629 20 30 HFEDMO C#CCN(C)C(=O)CCC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000790962682 1077255436 /nfs/dbraw/zinc/25/54/36/1077255436.db2.gz FCABWWCRAAZLPA-UHFFFAOYSA-N 1 1 401.510 2.772 20 30 HFEDMO C[C@@H]1C[N@@H+](Cc2ccc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2)C[C@H](C)O1 ZINC000791187768 1077332729 /nfs/dbraw/zinc/33/27/29/1077332729.db2.gz CUCZGMNVRWJRGU-KDURUIRLSA-N 1 1 419.529 2.525 20 30 HFEDMO C[C@@H]1C[N@H+](Cc2ccc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2)C[C@H](C)O1 ZINC000791187768 1077332737 /nfs/dbraw/zinc/33/27/37/1077332737.db2.gz CUCZGMNVRWJRGU-KDURUIRLSA-N 1 1 419.529 2.525 20 30 HFEDMO C#CCn1ccc(CN(CC)C(=O)NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)n1 ZINC000789244219 1077469735 /nfs/dbraw/zinc/46/97/35/1077469735.db2.gz DCQMRUJTDUUFQL-NRFANRHFSA-N 1 1 411.575 2.665 20 30 HFEDMO C#CCn1ccc(CN(CC)C(=O)NC[C@H]2CSCC[N@H+]2Cc2ccccc2)n1 ZINC000789244219 1077469738 /nfs/dbraw/zinc/46/97/38/1077469738.db2.gz DCQMRUJTDUUFQL-NRFANRHFSA-N 1 1 411.575 2.665 20 30 HFEDMO C#CCn1ccc(C[N@H+](CCOC)CCC(=O)Nc2cccc(Br)c2)n1 ZINC000789324642 1077520495 /nfs/dbraw/zinc/52/04/95/1077520495.db2.gz QMZHCSRKHAXKEO-UHFFFAOYSA-N 1 1 419.323 2.756 20 30 HFEDMO C#CCn1ccc(C[N@@H+](CCOC)CCC(=O)Nc2cccc(Br)c2)n1 ZINC000789324642 1077520500 /nfs/dbraw/zinc/52/05/00/1077520500.db2.gz QMZHCSRKHAXKEO-UHFFFAOYSA-N 1 1 419.323 2.756 20 30 HFEDMO C=CCc1cc(OC)cc(C[N@H+]2CCc3c(cccc3S(=O)(=O)NC)C2)c1O ZINC000789490760 1077592670 /nfs/dbraw/zinc/59/26/70/1077592670.db2.gz LCYOLTKCERMALB-UHFFFAOYSA-N 1 1 402.516 2.596 20 30 HFEDMO C=CCc1cc(OC)cc(C[N@@H+]2CCc3c(cccc3S(=O)(=O)NC)C2)c1O ZINC000789490760 1077592673 /nfs/dbraw/zinc/59/26/73/1077592673.db2.gz LCYOLTKCERMALB-UHFFFAOYSA-N 1 1 402.516 2.596 20 30 HFEDMO C#CCN(Cc1ccc(F)cc1)C(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792105808 1077698758 /nfs/dbraw/zinc/69/87/58/1077698758.db2.gz ZYTQOJLSUZUIQF-UHFFFAOYSA-N 1 1 403.498 2.730 20 30 HFEDMO CC(C)(C)OC(=O)N1CC[NH+](CCC(=O)Nc2ccc(F)cc2OCC#N)CC1 ZINC000792226518 1077751563 /nfs/dbraw/zinc/75/15/63/1077751563.db2.gz RFQUVAVASBSDAU-UHFFFAOYSA-N 1 1 406.458 2.609 20 30 HFEDMO Cn1ccnc1[C@H](O)[C@H]1CCC[N@@H+](Cc2cn(CCC#N)nc2-c2ccncc2)C1 ZINC000789739241 1077772950 /nfs/dbraw/zinc/77/29/50/1077772950.db2.gz JSDWKBRMBKYGNN-GHTZIAJQSA-N 1 1 405.506 2.538 20 30 HFEDMO C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)NC(=O)OC(C)(C)C ZINC000792257341 1077783379 /nfs/dbraw/zinc/78/33/79/1077783379.db2.gz KJHWPRAEFGUZCL-QGZVFWFLSA-N 1 1 415.538 2.689 20 30 HFEDMO CN(C)C(=O)CN1CCO[C@@H]2C[N@@H+](C3CCC(C#N)(c4ccccc4)CC3)CC[C@@H]2C1 ZINC001170381760 1077963887 /nfs/dbraw/zinc/96/38/87/1077963887.db2.gz YDCFRMFQQANGFO-YUWXKLMGSA-N 1 1 424.589 2.501 20 30 HFEDMO CN(C)C(=O)CN1CCO[C@@H]2C[N@H+](C3CCC(C#N)(c4ccccc4)CC3)CC[C@@H]2C1 ZINC001170381760 1077963889 /nfs/dbraw/zinc/96/38/89/1077963889.db2.gz YDCFRMFQQANGFO-YUWXKLMGSA-N 1 1 424.589 2.501 20 30 HFEDMO CNC(=O)CO[C@H]1CO[C@]2(C1)CCC[N@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170382608 1077964341 /nfs/dbraw/zinc/96/43/41/1077964341.db2.gz BPBBKQLHZIASHV-MDRJSERKSA-N 1 1 411.546 2.777 20 30 HFEDMO COCC[N@H+]1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C(C)(C)C1 ZINC001130635502 1079724716 /nfs/dbraw/zinc/72/47/16/1079724716.db2.gz CRIQQQPSWASDJS-KRWDZBQOSA-N 1 1 410.559 2.533 20 30 HFEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000807109995 1080286983 /nfs/dbraw/zinc/28/69/83/1080286983.db2.gz OXFGUTJPRHVLOC-AEFFLSMTSA-N 1 1 419.526 2.502 20 30 HFEDMO C[C@@H](NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1=CC[N@@H+](C)CC1 ZINC000807249976 1080407271 /nfs/dbraw/zinc/40/72/71/1080407271.db2.gz NJLWXLBQADBCKT-OAHLLOKOSA-N 1 1 408.527 2.670 20 30 HFEDMO C[C@H](NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1=CC[N@@H+](C)CC1 ZINC000807249975 1080407330 /nfs/dbraw/zinc/40/73/30/1080407330.db2.gz NJLWXLBQADBCKT-HNNXBMFYSA-N 1 1 408.527 2.670 20 30 HFEDMO C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000807404016 1080598643 /nfs/dbraw/zinc/59/86/43/1080598643.db2.gz FZVDRKPADDOZLR-IBGZPJMESA-N 1 1 405.498 2.680 20 30 HFEDMO CCc1nc(C#N)c(C#N)nc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2 ZINC001164707911 719904744 /nfs/dbraw/zinc/90/47/44/719904744.db2.gz ZAPHALYIDDKINX-UHFFFAOYSA-N 1 1 408.531 2.715 20 30 HFEDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3c(cc1C#N)CCCC3)CCC2 ZINC001164813378 720237159 /nfs/dbraw/zinc/23/71/59/720237159.db2.gz NPIYWCDDDLFQCH-UHFFFAOYSA-N 1 1 406.534 2.639 20 30 HFEDMO Cc1cc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C#N ZINC001164743981 720812661 /nfs/dbraw/zinc/81/26/61/720812661.db2.gz GZMWRCAHVHYKHQ-ZIFCJYIRSA-N 1 1 411.941 2.886 20 30 HFEDMO Cc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)cc1C#N ZINC001164750405 720859349 /nfs/dbraw/zinc/85/93/49/720859349.db2.gz PSQBMKWTRSSQSX-CMKODMSKSA-N 1 1 411.941 2.886 20 30 HFEDMO CSc1nc(Cl)c(C#N)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164871484 721041127 /nfs/dbraw/zinc/04/11/27/721041127.db2.gz ZDHIEDGSPKWISI-LSDHHAIUSA-N 1 1 416.938 2.598 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccnc(Cl)c4C#N)C[C@H]3C2)cn1 ZINC001164765906 721084234 /nfs/dbraw/zinc/08/42/34/721084234.db2.gz KDTYEXZREUJICB-LSDHHAIUSA-N 1 1 406.868 2.843 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4c(C#N)cnc5cnc(Cl)cc54)C[C@H]3C2)cn1 ZINC001164774299 721087382 /nfs/dbraw/zinc/08/73/82/721087382.db2.gz ZRRFTWLIOMGMSK-NVXWUHKLSA-N 1 1 407.909 2.847 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(C#N)cc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164769940 721141902 /nfs/dbraw/zinc/14/19/02/721141902.db2.gz QLWJJEBBOZBFID-CVEARBPZSA-N 1 1 406.868 2.843 20 30 HFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cnc3C#N)C2)C1 ZINC001164780065 721340801 /nfs/dbraw/zinc/34/08/01/721340801.db2.gz ZGOBHXIVFFPMCV-HXUWFJFHSA-N 1 1 416.913 2.726 20 30 HFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)cnc3C#N)C2)C1 ZINC001164780065 721340803 /nfs/dbraw/zinc/34/08/03/721340803.db2.gz ZGOBHXIVFFPMCV-HXUWFJFHSA-N 1 1 416.913 2.726 20 30 HFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc(Cl)c1C#N)CC2 ZINC001164789414 721453963 /nfs/dbraw/zinc/45/39/63/721453963.db2.gz VPAKVOFTIZQZPQ-KRWDZBQOSA-N 1 1 419.957 2.736 20 30 HFEDMO CCOC(=O)c1cc(C)nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1C#N ZINC001164900188 721523980 /nfs/dbraw/zinc/52/39/80/721523980.db2.gz PATMDNUVCBZZLP-IEBWSBKVSA-N 1 1 424.476 2.919 20 30 HFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3ccc(C#N)cc32)[C@@H]2CCCO[C@@H]12 ZINC001164803110 721537119 /nfs/dbraw/zinc/53/71/19/721537119.db2.gz ICHCAQFKVDPDDI-YPAWHYETSA-N 1 1 400.486 2.765 20 30 HFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncnc3ccc(C#N)cc32)[C@@H]2CCCO[C@@H]12 ZINC001164803110 721537124 /nfs/dbraw/zinc/53/71/24/721537124.db2.gz ICHCAQFKVDPDDI-YPAWHYETSA-N 1 1 400.486 2.765 20 30 HFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(C#N)cc2C#N)[C@H]2CCCO[C@@H]12 ZINC001164803795 721552567 /nfs/dbraw/zinc/55/25/67/721552567.db2.gz JDRJCSKUYJNVEU-IPMKNSEASA-N 1 1 408.893 2.742 20 30 HFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(C#N)cc2C#N)[C@H]2CCCO[C@@H]12 ZINC001164803795 721552571 /nfs/dbraw/zinc/55/25/71/721552571.db2.gz JDRJCSKUYJNVEU-IPMKNSEASA-N 1 1 408.893 2.742 20 30 HFEDMO COC(=O)c1cc(C#N)cnc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164944536 721932985 /nfs/dbraw/zinc/93/29/85/721932985.db2.gz SPCMTGGWMQPSBI-UHFFFAOYSA-N 1 1 420.513 2.920 20 30 HFEDMO C=CC[C@@]1(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790634128 1078069636 /nfs/dbraw/zinc/06/96/36/1078069636.db2.gz RBJZEAJHCDPMFK-QHCPKHFHSA-N 1 1 422.614 2.817 20 30 HFEDMO C=CC[C@@]1(C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790634128 1078069641 /nfs/dbraw/zinc/06/96/41/1078069641.db2.gz RBJZEAJHCDPMFK-QHCPKHFHSA-N 1 1 422.614 2.817 20 30 HFEDMO C=CC[C@]1(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790648441 1078093489 /nfs/dbraw/zinc/09/34/89/1078093489.db2.gz YKQMFWBWAIDVLC-AUSIDOKSSA-N 1 1 420.598 2.571 20 30 HFEDMO C=CCCN(OCc1ccccc1)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793805656 1078305318 /nfs/dbraw/zinc/30/53/18/1078305318.db2.gz PIDJTHOAMWTORQ-UHFFFAOYSA-N 1 1 419.485 2.728 20 30 HFEDMO C[C@@H](NC(=O)C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000804403242 1078466752 /nfs/dbraw/zinc/46/67/52/1078466752.db2.gz ZJBHVMBKVBNVGP-HOYKHHGWSA-N 1 1 404.514 2.764 20 30 HFEDMO CC[N@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000804418599 1078468973 /nfs/dbraw/zinc/46/89/73/1078468973.db2.gz QSOUYWJARSWWHE-GOSISDBHSA-N 1 1 410.543 2.894 20 30 HFEDMO C#CCNc1nc(NCCc2ccc(C)nc2)nc(NCCc2ccc(C)nc2)[nH+]1 ZINC000804447127 1078512910 /nfs/dbraw/zinc/51/29/10/1078512910.db2.gz XMSQDJVICVHPOQ-UHFFFAOYSA-N 1 1 402.506 2.633 20 30 HFEDMO N#Cc1ccc(NCCNC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nc1 ZINC000804959597 1078799124 /nfs/dbraw/zinc/79/91/24/1078799124.db2.gz KQIMIAARLZURSX-QHCPKHFHSA-N 1 1 404.518 2.673 20 30 HFEDMO C=CC[NH+]1CCC(NS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Cl)CC1 ZINC000747265926 1079220056 /nfs/dbraw/zinc/22/00/56/1079220056.db2.gz CHMFZFZABYDGJI-UHFFFAOYSA-N 1 1 407.319 2.709 20 30 HFEDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC(=O)NCc1cccc(C#N)c1)C2 ZINC000805794129 1079259177 /nfs/dbraw/zinc/25/91/77/1079259177.db2.gz PDYAXZJISFIFOK-QHCPKHFHSA-N 1 1 412.534 2.897 20 30 HFEDMO CC(C)(C)OC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC(=O)NCc1cccc(C#N)c1)C2 ZINC000805794129 1079259185 /nfs/dbraw/zinc/25/91/85/1079259185.db2.gz PDYAXZJISFIFOK-QHCPKHFHSA-N 1 1 412.534 2.897 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000805812835 1079287396 /nfs/dbraw/zinc/28/73/96/1079287396.db2.gz AMZISLUFZKFASO-DXIQSLLYSA-N 1 1 406.530 2.936 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccncc1 ZINC000805812835 1079287400 /nfs/dbraw/zinc/28/74/00/1079287400.db2.gz AMZISLUFZKFASO-DXIQSLLYSA-N 1 1 406.530 2.936 20 30 HFEDMO N#Cc1ccc(C[NH+]2CCC3(CC2)CN(CC2CC2)C(=O)CO3)c(Br)c1 ZINC001137635524 1079444705 /nfs/dbraw/zinc/44/47/05/1079444705.db2.gz KEOPOQSTLZFDEI-UHFFFAOYSA-N 1 1 418.335 2.924 20 30 HFEDMO CN1CC[NH+](CCCOc2ccc(NC(=O)COc3cccc(C#N)c3)cc2)CC1 ZINC001130541425 1079461882 /nfs/dbraw/zinc/46/18/82/1079461882.db2.gz CPHNCDGHBPQHMF-UHFFFAOYSA-N 1 1 408.502 2.592 20 30 HFEDMO C[N@@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)[C@H](Cc2ccccc2)C1 ZINC001130550586 1079487380 /nfs/dbraw/zinc/48/73/80/1079487380.db2.gz QUTVBJYYUHUNAC-LEWJYISDSA-N 1 1 406.505 2.909 20 30 HFEDMO C[N@H+]1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)[C@H](Cc2ccccc2)C1 ZINC001130550586 1079487383 /nfs/dbraw/zinc/48/73/83/1079487383.db2.gz QUTVBJYYUHUNAC-LEWJYISDSA-N 1 1 406.505 2.909 20 30 HFEDMO CCOCCC[N@H+]1CC[C@H](NCc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@H](C)C1 ZINC000787303461 1076752022 /nfs/dbraw/zinc/75/20/22/1076752022.db2.gz MAUCLPBGZKAVFN-HOJAQTOUSA-N 1 1 421.545 2.950 20 30 HFEDMO C[C@@H](NC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)cc1 ZINC000787350303 1076791347 /nfs/dbraw/zinc/79/13/47/1076791347.db2.gz QSMIWJBKPLNLDQ-KOSHJBKYSA-N 1 1 404.514 2.764 20 30 HFEDMO C=CCCN(OCc1ccccc1)C(=O)C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000787478516 1076838594 /nfs/dbraw/zinc/83/85/94/1076838594.db2.gz QFMNPEHQRWRORW-UHFFFAOYSA-N 1 1 419.485 2.728 20 30 HFEDMO C[C@H]1CCC[N@@H+](CCNC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000787667443 1076904017 /nfs/dbraw/zinc/90/40/17/1076904017.db2.gz CDUPNBHRNNTLEQ-INIZCTEOSA-N 1 1 410.543 2.751 20 30 HFEDMO C=CCn1c(Cc2ccccc2)nn(CN(C)[C@@H](C)C[NH+]2CCOCC2)c1=S ZINC000788379447 1077135388 /nfs/dbraw/zinc/13/53/88/1077135388.db2.gz YNYBQZIHYRUWCK-SFHVURJKSA-N 1 1 401.580 2.801 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)n1 ZINC000788847888 1077319018 /nfs/dbraw/zinc/31/90/18/1077319018.db2.gz AIWDHKQCVZGKPC-HXUWFJFHSA-N 1 1 417.941 2.631 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)n1 ZINC000788898635 1077343991 /nfs/dbraw/zinc/34/39/91/1077343991.db2.gz SWOPBLRWUWZBBT-CTNGQTDRSA-N 1 1 409.534 2.510 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000789062710 1077395127 /nfs/dbraw/zinc/39/51/27/1077395127.db2.gz PSNXWPFPWYNXCQ-IFMALSPDSA-N 1 1 423.561 2.727 20 30 HFEDMO C#CCn1ccc(CN(CC)C(=O)N[C@@H](CC)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1 ZINC000789099481 1077411016 /nfs/dbraw/zinc/41/10/16/1077411016.db2.gz HXAROLDBCGWZMC-GOTSBHOMSA-N 1 1 423.561 2.727 20 30 HFEDMO C#CCn1ccc(CN(CC)C(=O)N[C@@H](CC)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1 ZINC000789099481 1077411019 /nfs/dbraw/zinc/41/10/19/1077411019.db2.gz HXAROLDBCGWZMC-GOTSBHOMSA-N 1 1 423.561 2.727 20 30 HFEDMO C[C@H]1CC[C@@H]([N@@H+](CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)C1 ZINC001170159225 1077537085 /nfs/dbraw/zinc/53/70/85/1077537085.db2.gz RRHVUQPJZVPFAV-OKYOBFRVSA-N 1 1 406.546 2.731 20 30 HFEDMO CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C#N)c(F)c2)C1 ZINC000792214904 1077767675 /nfs/dbraw/zinc/76/76/75/1077767675.db2.gz ANQZDFPVUILSNO-QGZVFWFLSA-N 1 1 404.486 2.550 20 30 HFEDMO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ncccc1C1(C#N)CCN(Cc2ccccc2)CC1 ZINC001170339793 1077952621 /nfs/dbraw/zinc/95/26/21/1077952621.db2.gz GIEIKXSMHXWOMJ-UHFFFAOYSA-N 1 1 416.529 2.840 20 30 HFEDMO C=CC[C@@]1(C(=O)N2CC[NH+](C[C@@H]3CCCO3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790134641 1077953377 /nfs/dbraw/zinc/95/33/77/1077953377.db2.gz UCXKZKATFYFBLO-AVRDEDQJSA-N 1 1 407.555 2.655 20 30 HFEDMO C=CC[C@@]1(C(=O)N2CC[NH+](C[C@H]3CCCO3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790134645 1077953576 /nfs/dbraw/zinc/95/35/76/1077953576.db2.gz UCXKZKATFYFBLO-GCJKJVERSA-N 1 1 407.555 2.655 20 30 HFEDMO N#CC1(c2ccccc2)CCC([N@H+]2CCCn3nnc(Cn4cnnc4)c3C2)CC1 ZINC001170386467 1077957407 /nfs/dbraw/zinc/95/74/07/1077957407.db2.gz GYXYAGSWHKVDPT-UHFFFAOYSA-N 1 1 402.506 2.528 20 30 HFEDMO Cc1[nH+]ccn1-c1ncccc1CNC(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000806456884 1079727697 /nfs/dbraw/zinc/72/76/97/1079727697.db2.gz YTWSIQURCLIKKV-AWEZNQCLSA-N 1 1 424.486 2.583 20 30 HFEDMO CC(C)C[N@H+]1CC[C@H](CNC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807246441 1080403391 /nfs/dbraw/zinc/40/33/91/1080403391.db2.gz PRLMUMBPHMCHMG-GOSISDBHSA-N 1 1 424.570 2.997 20 30 HFEDMO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807249929 1080407299 /nfs/dbraw/zinc/40/72/99/1080407299.db2.gz LZBLDPKRNFGQMU-KRWDZBQOSA-N 1 1 410.543 2.703 20 30 HFEDMO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807249987 1080407386 /nfs/dbraw/zinc/40/73/86/1080407386.db2.gz NPBKLWKAGKYZFR-HNAYVOBHSA-N 1 1 410.543 2.702 20 30 HFEDMO C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC000807357220 1080518528 /nfs/dbraw/zinc/51/85/28/1080518528.db2.gz LEAXMLGYUUOIIL-UHFFFAOYSA-N 1 1 421.505 2.897 20 30 HFEDMO C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000807405870 1080600902 /nfs/dbraw/zinc/60/09/02/1080600902.db2.gz AOLACUDZZCJJMU-PMACEKPBSA-N 1 1 419.525 2.896 20 30 HFEDMO C#CC[C@@H](Cc1ccccc1)NC(=O)N(CCC[NH+]1CCOCC1)Cc1ccncc1 ZINC000807466614 1080644377 /nfs/dbraw/zinc/64/43/77/1080644377.db2.gz DLGDMWNSUJFPGK-DEOSSOPVSA-N 1 1 420.557 2.950 20 30 HFEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000807544713 1080761646 /nfs/dbraw/zinc/76/16/46/1080761646.db2.gz ZGTMKNVSEYBFHF-VQIMIIECSA-N 1 1 409.461 2.555 20 30 HFEDMO C=CCNC(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840735 720602003 /nfs/dbraw/zinc/60/20/03/720602003.db2.gz QMKWJGOVNHQLMQ-QKNQBKEWSA-N 1 1 408.550 2.572 20 30 HFEDMO N#Cc1cc(F)c(Cl)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164741723 720810328 /nfs/dbraw/zinc/81/03/28/720810328.db2.gz BQBGQFZYOINXTI-XYJFISCASA-N 1 1 415.904 2.717 20 30 HFEDMO N#CCc1cnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164749649 720854838 /nfs/dbraw/zinc/85/48/38/720854838.db2.gz NZQKDRYDJYBDML-NLWGTHIKSA-N 1 1 411.941 2.772 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc(Cl)nc4C#N)C[C@H]3C2)cn1 ZINC001164763444 721107525 /nfs/dbraw/zinc/10/75/25/721107525.db2.gz FYDSHOHOUVACNF-HUUCEWRRSA-N 1 1 406.868 2.843 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(Cl)nc(C#N)c4)C[C@H]3C2)cn1 ZINC001164773269 721124777 /nfs/dbraw/zinc/12/47/77/721124777.db2.gz XQDQMMLRGYVANP-LSDHHAIUSA-N 1 1 406.868 2.843 20 30 HFEDMO Cc1nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)c(C#N)c(C)c1Cl ZINC001164884361 721384936 /nfs/dbraw/zinc/38/49/36/721384936.db2.gz AKRGWHJCWXSGMI-GCJKJVERSA-N 1 1 417.985 2.989 20 30 HFEDMO CC(C)(C)C(=O)Nc1ccc(C#N)nc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1 ZINC001164784705 721420039 /nfs/dbraw/zinc/42/00/39/721420039.db2.gz LBTJXKUDVCISMD-HUUCEWRRSA-N 1 1 410.547 2.963 20 30 HFEDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc(CC#N)cc4Cl)C3)O2)CC1 ZINC001164889578 721444348 /nfs/dbraw/zinc/44/43/48/721444348.db2.gz BVOGKBHACPPRSX-RXVVDRJESA-N 1 1 403.958 2.566 20 30 HFEDMO N#Cc1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164904794 721699444 /nfs/dbraw/zinc/69/94/44/721699444.db2.gz GNWCZSMSLVPIKD-LJQANCHMSA-N 1 1 414.416 2.994 20 30 HFEDMO CCc1nc(C#N)c(C#N)nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164912252 721734812 /nfs/dbraw/zinc/73/48/12/721734812.db2.gz NLDZZZCXKHJZGK-NRFANRHFSA-N 1 1 423.471 2.915 20 30 HFEDMO CSc1nc(-c2ccccc2)nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3CCN(C)C)c1C#N ZINC001164927398 721869792 /nfs/dbraw/zinc/86/97/92/721869792.db2.gz UUZIDXCTAHIGGZ-OALUTQOASA-N 1 1 408.575 2.952 20 30 HFEDMO CSc1nc(-c2ccccc2)nc(N2CC[C@H]3[C@@H]2CC[N@H+]3CCN(C)C)c1C#N ZINC001164927398 721869793 /nfs/dbraw/zinc/86/97/93/721869793.db2.gz UUZIDXCTAHIGGZ-OALUTQOASA-N 1 1 408.575 2.952 20 30 HFEDMO CCc1nc(C#N)c(C#N)nc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164940803 721933424 /nfs/dbraw/zinc/93/34/24/721933424.db2.gz FDTZYGCXRNYBKT-UHFFFAOYSA-N 1 1 416.529 2.962 20 30 HFEDMO N#Cc1cc2nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)ccc2[nH]1 ZINC001164960702 722059435 /nfs/dbraw/zinc/05/94/35/722059435.db2.gz ICCLLDRAKGHIDS-UHFFFAOYSA-N 1 1 402.502 2.949 20 30 HFEDMO N#Cc1cc(C#N)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)nc1Cl ZINC001164981592 722116415 /nfs/dbraw/zinc/11/64/15/722116415.db2.gz UPMQZFDHYQOJTD-QFBILLFUSA-N 1 1 408.893 2.601 20 30 HFEDMO N#Cc1cc2c(nc1N1CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C1)CCCC2 ZINC001164983355 722139531 /nfs/dbraw/zinc/13/95/31/722139531.db2.gz UQJWDRMQKXJHST-NFBKMPQASA-N 1 1 403.530 2.954 20 30 HFEDMO C#CCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000790552120 1078054241 /nfs/dbraw/zinc/05/42/41/1078054241.db2.gz ULDMWUYVOJFTHZ-KXBFYZLASA-N 1 1 408.329 2.680 20 30 HFEDMO C=CC[C@@]1(C(=O)NC[C@H](C)CN2CC[NH+](CC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790634114 1078069694 /nfs/dbraw/zinc/06/96/94/1078069694.db2.gz RAQDBWDFSZBYFP-CVDCTZTESA-N 1 1 422.614 2.722 20 30 HFEDMO CN(CCC#N)c1ccc(CN2CC[N@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000793605549 1078223444 /nfs/dbraw/zinc/22/34/44/1078223444.db2.gz VLPZDVQPXZQJQW-HXUWFJFHSA-N 1 1 401.555 2.677 20 30 HFEDMO CN(CCC#N)c1ccc(CN2CC[N@@H+](C)C[C@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000793605549 1078223447 /nfs/dbraw/zinc/22/34/47/1078223447.db2.gz VLPZDVQPXZQJQW-HXUWFJFHSA-N 1 1 401.555 2.677 20 30 HFEDMO C#CCCCS(=O)(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000804949447 1078777286 /nfs/dbraw/zinc/77/72/86/1078777286.db2.gz NNFGKYYSHZUYBL-UHFFFAOYSA-N 1 1 411.571 2.842 20 30 HFEDMO Cc1cccc(C)c1CNC(=O)C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000805676235 1079215151 /nfs/dbraw/zinc/21/51/51/1079215151.db2.gz CGNLDLKLRZEBME-UHFFFAOYSA-N 1 1 404.514 2.526 20 30 HFEDMO Cc1cccc(C)c1CNC(=O)C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000805676235 1079215160 /nfs/dbraw/zinc/21/51/60/1079215160.db2.gz CGNLDLKLRZEBME-UHFFFAOYSA-N 1 1 404.514 2.526 20 30 HFEDMO C#C[C@@H](NC(=O)N1CCC[N@@H+](CC(=O)N(CC)CC)CC1)c1ccc(Cl)cc1F ZINC000805779582 1079249604 /nfs/dbraw/zinc/24/96/04/1079249604.db2.gz ZYTWIMYAAUWORW-LJQANCHMSA-N 1 1 422.932 2.739 20 30 HFEDMO C#C[C@@H](NC(=O)N1CCC[N@H+](CC(=O)N(CC)CC)CC1)c1ccc(Cl)cc1F ZINC000805779582 1079249606 /nfs/dbraw/zinc/24/96/06/1079249606.db2.gz ZYTWIMYAAUWORW-LJQANCHMSA-N 1 1 422.932 2.739 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805814750 1079287842 /nfs/dbraw/zinc/28/78/42/1079287842.db2.gz GLZQGEFRTSUUTJ-IFMALSPDSA-N 1 1 406.530 2.796 20 30 HFEDMO CC[NH+](CC)CCO[C@H]1CCN(Cc2cc(=O)n3c4ccccc4[nH]c3c2C#N)C1 ZINC000746675631 1076750088 /nfs/dbraw/zinc/75/00/88/1076750088.db2.gz OOGYKQHZQYYGQD-OALUTQOASA-N 1 1 407.518 2.656 20 30 HFEDMO C#CC[NH+]1CCC(C(=O)NCCc2c(CC)[nH]n(Cc3ccccc3C)c2=O)CC1 ZINC000788214372 1077081119 /nfs/dbraw/zinc/08/11/19/1077081119.db2.gz HLIYYHCBABBPMP-OAQYLSRUSA-N 1 1 408.546 2.571 20 30 HFEDMO CC(C)(C)OC(=O)NC[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC(=O)NCC#N ZINC000788273768 1077095073 /nfs/dbraw/zinc/09/50/73/1077095073.db2.gz BKPASSWIDJKZOI-PMACEKPBSA-N 1 1 414.550 2.864 20 30 HFEDMO COC(OC)c1c(C[N@H+]2CC[C@H](CO)C2)ccnc1NCc1ccc(C#N)c(F)c1 ZINC001170089233 1077280350 /nfs/dbraw/zinc/28/03/50/1077280350.db2.gz IGPCUHIKLVNJJA-INIZCTEOSA-N 1 1 414.481 2.810 20 30 HFEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000746812790 1077555101 /nfs/dbraw/zinc/55/51/01/1077555101.db2.gz VWULDOKHLNRGOO-QGZVFWFLSA-N 1 1 411.477 2.803 20 30 HFEDMO C#CCOc1cccc(NC(=O)C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000746806183 1077556184 /nfs/dbraw/zinc/55/61/84/1077556184.db2.gz DJEGEWDJUXPSLM-OAQYLSRUSA-N 1 1 405.498 2.760 20 30 HFEDMO O=C(OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCC(=O)c2cccn21 ZINC000789452492 1077579833 /nfs/dbraw/zinc/57/98/33/1077579833.db2.gz FSSDBISBHUVVBS-JOCHJYFZSA-N 1 1 406.482 2.823 20 30 HFEDMO C#CCC[NH+]1CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)c2ccc(F)cc2)CC1 ZINC000792119857 1077704142 /nfs/dbraw/zinc/70/41/42/1077704142.db2.gz GVSWWAIDYRKPPP-IBGZPJMESA-N 1 1 403.498 2.602 20 30 HFEDMO CN(C)c1ccc(NC(=O)CC[NH+]2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000792242797 1077761347 /nfs/dbraw/zinc/76/13/47/1077761347.db2.gz HYOMOVGWJRSPMG-UHFFFAOYSA-N 1 1 408.506 2.640 20 30 HFEDMO Cc1ccc(C[N@H+]2CCCN(C(=O)COC(=O)c3ccc(F)c(C#N)c3)CC2)cc1 ZINC000792305328 1077798121 /nfs/dbraw/zinc/79/81/21/1077798121.db2.gz CAJUOCQUGPAHMK-UHFFFAOYSA-N 1 1 409.461 2.897 20 30 HFEDMO Fc1cccc(-c2ccc(C=NNC(=S)NCCC[NH+]3CCOCC3)o2)c1F ZINC000790148608 1077956958 /nfs/dbraw/zinc/95/69/58/1077956958.db2.gz ZLXAPUHTMJYRAI-UHFFFAOYSA-N 1 1 408.474 2.745 20 30 HFEDMO C=CC[C@]1(C(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CCCN1C(=O)OC(C)(C)C ZINC000790219882 1077972887 /nfs/dbraw/zinc/97/28/87/1077972887.db2.gz NLGNEEKVKMFHCZ-XMSQKQJNSA-N 1 1 409.571 2.805 20 30 HFEDMO CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807246806 1080401977 /nfs/dbraw/zinc/40/19/77/1080401977.db2.gz USRLGYYRNDXEPJ-MOPGFXCFSA-N 1 1 422.554 2.988 20 30 HFEDMO CCC[N@H+]1CC[C@H](CNC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807248830 1080406009 /nfs/dbraw/zinc/40/60/09/1080406009.db2.gz GMYZIEBWRBCEQE-QGZVFWFLSA-N 1 1 410.543 2.751 20 30 HFEDMO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807250033 1080406710 /nfs/dbraw/zinc/40/67/10/1080406710.db2.gz PDWPJUFNWLFPQM-LIRRHRJNSA-N 1 1 408.527 2.502 20 30 HFEDMO C[C@@H]1C[C@@H](NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[N@H+]1C1CC1 ZINC000807249939 1080407247 /nfs/dbraw/zinc/40/72/47/1080407247.db2.gz MKDBMSGAOVWQCM-RHSMWYFYSA-N 1 1 408.527 2.644 20 30 HFEDMO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 ZINC000807249299 1080409558 /nfs/dbraw/zinc/40/95/58/1080409558.db2.gz PHSLFJWPLGHBIU-AZUAARDMSA-N 1 1 422.554 2.846 20 30 HFEDMO CSc1nc(Cl)c(C=NO)c(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164729254 720356762 /nfs/dbraw/zinc/35/67/62/720356762.db2.gz XQKBLNOGZZCCPB-LSDHHAIUSA-N 1 1 404.927 2.908 20 30 HFEDMO N#Cc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc2ccc(Cl)cc12 ZINC001164750504 720800254 /nfs/dbraw/zinc/80/02/54/720800254.db2.gz VVUAQQKUMXFGFF-IRXDYDNUSA-N 1 1 406.877 2.892 20 30 HFEDMO CC1(C)CCCc2cc(C#N)c(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc21 ZINC001164742719 720803962 /nfs/dbraw/zinc/80/39/62/720803962.db2.gz DCZSZLRKYWAXJH-MOPGFXCFSA-N 1 1 404.518 2.699 20 30 HFEDMO N#CC1(c2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2)CCC1 ZINC001164745128 720828419 /nfs/dbraw/zinc/82/84/19/720828419.db2.gz WMBJYNGOPROJDP-ILWGZMRPSA-N 1 1 417.561 2.998 20 30 HFEDMO COCC[N@H+]1CCO[C@H]2CN(c3nc(-c4ccc(F)cc4)ccc3C#N)CC[C@H]2C1 ZINC001164852986 720835986 /nfs/dbraw/zinc/83/59/86/720835986.db2.gz MVFBQHSUKWBFNW-UGKGYDQZSA-N 1 1 410.493 2.933 20 30 HFEDMO N#CCc1cnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)c1 ZINC001164749669 720854583 /nfs/dbraw/zinc/85/45/83/720854583.db2.gz NZQKDRYDJYBDML-WSTZPKSXSA-N 1 1 411.941 2.772 20 30 HFEDMO CSc1nc(Cl)c(C#N)c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164871480 721041269 /nfs/dbraw/zinc/04/12/69/721041269.db2.gz ZDHIEDGSPKWISI-GJZGRUSLSA-N 1 1 416.938 2.598 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(C#N)ccc4NC(=O)C(C)(C)C)C[C@@H]3C2)cn1 ZINC001164773346 721174554 /nfs/dbraw/zinc/17/45/54/721174554.db2.gz WMOQAHAFDYKDNW-MSOLQXFVSA-N 1 1 421.549 2.630 20 30 HFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC)c(C#N)cn1)CC2 ZINC001164790440 721450017 /nfs/dbraw/zinc/45/00/17/721450017.db2.gz ZBJZVOHEDSZSIC-HXUWFJFHSA-N 1 1 414.550 2.696 20 30 HFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nnc(Cl)cc1C#N)CC2 ZINC001164785952 721454317 /nfs/dbraw/zinc/45/43/17/721454317.db2.gz KAKKAZIOSGYSBR-GOSISDBHSA-N 1 1 419.957 2.736 20 30 HFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(F)c1C#N)CC2 ZINC001164784668 721461780 /nfs/dbraw/zinc/46/17/80/721461780.db2.gz JIKCICACNNULNS-GOSISDBHSA-N 1 1 402.514 2.826 20 30 HFEDMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2ccnc(Cl)c2C#N)CC1 ZINC001165008807 721731013 /nfs/dbraw/zinc/73/10/13/721731013.db2.gz RKKAXXJSAFGVGW-UHFFFAOYSA-N 1 1 411.884 2.675 20 30 HFEDMO CN(C)CC[N@H+]1CC[C@H]2[C@H]1CCN2c1ccc(COc2ccc(CC#N)cc2)cn1 ZINC001164935103 721880849 /nfs/dbraw/zinc/88/08/49/721880849.db2.gz VVMCIFGBVGZYRM-PKTZIBPZSA-N 1 1 405.546 2.941 20 30 HFEDMO C[NH+](C)CCN1CC[C@H]2[C@H]1CCN2c1ccc(COc2ccc(CC#N)cc2)cn1 ZINC001164935103 721880850 /nfs/dbraw/zinc/88/08/50/721880850.db2.gz VVMCIFGBVGZYRM-PKTZIBPZSA-N 1 1 405.546 2.941 20 30 HFEDMO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2c1ccc(COc2ccc(CC#N)cc2)cn1 ZINC001164935102 721881064 /nfs/dbraw/zinc/88/10/64/721881064.db2.gz VVMCIFGBVGZYRM-GOTSBHOMSA-N 1 1 405.546 2.941 20 30 HFEDMO C[NH+](C)CCN1CC[C@H]2[C@@H]1CCN2c1ccc(COc2ccc(CC#N)cc2)cn1 ZINC001164935102 721881066 /nfs/dbraw/zinc/88/10/66/721881066.db2.gz VVMCIFGBVGZYRM-GOTSBHOMSA-N 1 1 405.546 2.941 20 30 HFEDMO C=CCOc1cc(C)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1 ZINC001164962192 722056351 /nfs/dbraw/zinc/05/63/51/722056351.db2.gz BASFDLCXCXBXOB-UHFFFAOYSA-N 1 1 409.534 2.864 20 30 HFEDMO COc1nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(F)cc1C#N ZINC001164962412 722059392 /nfs/dbraw/zinc/05/93/92/722059392.db2.gz RRJZBTSARAZWIL-UHFFFAOYSA-N 1 1 411.481 2.615 20 30 HFEDMO O=C(C#Cc1ccc(C(F)(F)F)cc1)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000790866350 1078163720 /nfs/dbraw/zinc/16/37/20/1078163720.db2.gz NGZPMQHBCFNNLA-FQEVSTJZSA-N 1 1 402.416 2.940 20 30 HFEDMO C[C@@H](NC(=O)C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cccc(C#N)c1 ZINC000804403243 1078466772 /nfs/dbraw/zinc/46/67/72/1078466772.db2.gz ZJBHVMBKVBNVGP-KOSHJBKYSA-N 1 1 404.514 2.764 20 30 HFEDMO C[N@@H+](CCNC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)C1CCCC1 ZINC000804818924 1078661138 /nfs/dbraw/zinc/66/11/38/1078661138.db2.gz LROVUXAIHOFILQ-UHFFFAOYSA-N 1 1 410.543 2.894 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](C)C[NH+]1CCN(c2ccccn2)CC1 ZINC000805134208 1078931956 /nfs/dbraw/zinc/93/19/56/1078931956.db2.gz UCQYKDQHWDZJOX-RBBKRZOGSA-N 1 1 405.546 2.526 20 30 HFEDMO C#C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C)c1ccc(Cl)cc1F ZINC000805779312 1079249775 /nfs/dbraw/zinc/24/97/75/1079249775.db2.gz UIEVTDOPHGJRPD-IYHXRUFHSA-N 1 1 420.916 2.536 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805808613 1079283785 /nfs/dbraw/zinc/28/37/85/1079283785.db2.gz VSNDSGJUVOZXMG-VXKWHMMOSA-N 1 1 406.530 2.938 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccncc1 ZINC000805814215 1079288299 /nfs/dbraw/zinc/28/82/99/1079288299.db2.gz MLBYZZMZBIULEC-OAQYLSRUSA-N 1 1 406.530 2.938 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccncc1 ZINC000805814215 1079288307 /nfs/dbraw/zinc/28/83/07/1079288307.db2.gz MLBYZZMZBIULEC-OAQYLSRUSA-N 1 1 406.530 2.938 20 30 HFEDMO C[N@@H+]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001130549861 1079486538 /nfs/dbraw/zinc/48/65/38/1079486538.db2.gz JMKAFOGNUFIMNG-VQTJNVASSA-N 1 1 414.550 2.959 20 30 HFEDMO C[N@H+]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H](Cc2ccccc2)C1 ZINC001130549861 1079486541 /nfs/dbraw/zinc/48/65/41/1079486541.db2.gz JMKAFOGNUFIMNG-VQTJNVASSA-N 1 1 414.550 2.959 20 30 HFEDMO CCOCCC[N@H+]1CC[C@H](NCc2cc(=O)n3c4ccccc4[nH]c3c2C#N)[C@@H](C)C1 ZINC000787303475 1076751907 /nfs/dbraw/zinc/75/19/07/1076751907.db2.gz MAUCLPBGZKAVFN-IHPCNDPISA-N 1 1 421.545 2.950 20 30 HFEDMO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H]([N@H+]2CCCN(c3ccccc3C#N)CC2)C1 ZINC000787716917 1076924664 /nfs/dbraw/zinc/92/46/64/1076924664.db2.gz KFKSIANHQIECRJ-OFNKIYASSA-N 1 1 414.550 2.831 20 30 HFEDMO CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H]([NH+]2CCN([C@H](C#N)c3ccccc3)CC2)C1 ZINC000787731355 1076933799 /nfs/dbraw/zinc/93/37/99/1076933799.db2.gz QGMADLCGHXEZKO-QTEQDKRBSA-N 1 1 414.550 2.629 20 30 HFEDMO COc1ccc(CNC(=O)N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000746731780 1077071445 /nfs/dbraw/zinc/07/14/45/1077071445.db2.gz UONDPFRRHCGWMD-HTAPYJJXSA-N 1 1 408.502 2.656 20 30 HFEDMO COc1ccc(CNC(=O)N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C#N ZINC000746731780 1077071451 /nfs/dbraw/zinc/07/14/51/1077071451.db2.gz UONDPFRRHCGWMD-HTAPYJJXSA-N 1 1 408.502 2.656 20 30 HFEDMO C#CCC1(C(=O)OCC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCCC1 ZINC000788214348 1077081038 /nfs/dbraw/zinc/08/10/38/1077081038.db2.gz ZXTXLWQQPMTALU-UHFFFAOYSA-N 1 1 404.551 2.655 20 30 HFEDMO C#CCn1ccc(C[N@@H+](CCOC)Cc2c(O)c(C(=O)OC)cc3ccccc32)n1 ZINC000788370424 1077130755 /nfs/dbraw/zinc/13/07/55/1077130755.db2.gz VALANAQCXZDBMU-UHFFFAOYSA-N 1 1 407.470 2.810 20 30 HFEDMO C#CCn1ccc(C[N@H+](CCOC)Cc2c(O)c(C(=O)OC)cc3ccccc32)n1 ZINC000788370424 1077130760 /nfs/dbraw/zinc/13/07/60/1077130760.db2.gz VALANAQCXZDBMU-UHFFFAOYSA-N 1 1 407.470 2.810 20 30 HFEDMO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)s1 ZINC000788573331 1077209967 /nfs/dbraw/zinc/20/99/67/1077209967.db2.gz OUBAUNOZPJQKMP-ZWKOTPCHSA-N 1 1 408.527 2.646 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)n1 ZINC000788898639 1077344062 /nfs/dbraw/zinc/34/40/62/1077344062.db2.gz SWOPBLRWUWZBBT-FPOVZHCZSA-N 1 1 409.534 2.510 20 30 HFEDMO C#CCOc1cc(F)ccc1NC(=O)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000746812788 1077555030 /nfs/dbraw/zinc/55/50/30/1077555030.db2.gz VWULDOKHLNRGOO-KRWDZBQOSA-N 1 1 411.477 2.803 20 30 HFEDMO CCn1cc([C@@H](O)C[N@H+](CC(=O)NCc2cccc(C#N)c2)Cc2ccccc2)cn1 ZINC000792378017 1077843866 /nfs/dbraw/zinc/84/38/66/1077843866.db2.gz MHUSHHUEYJVFRA-QHCPKHFHSA-N 1 1 417.513 2.627 20 30 HFEDMO CCn1cc([C@@H](O)C[N@@H+](CC(=O)NCc2cccc(C#N)c2)Cc2ccccc2)cn1 ZINC000792378017 1077843872 /nfs/dbraw/zinc/84/38/72/1077843872.db2.gz MHUSHHUEYJVFRA-QHCPKHFHSA-N 1 1 417.513 2.627 20 30 HFEDMO CCn1cc([C@H](O)C[N@H+](CC(=O)NCc2cccc(C#N)c2)Cc2ccccc2)cn1 ZINC000792378015 1077843947 /nfs/dbraw/zinc/84/39/47/1077843947.db2.gz MHUSHHUEYJVFRA-HSZRJFAPSA-N 1 1 417.513 2.627 20 30 HFEDMO CCn1cc([C@H](O)C[N@@H+](CC(=O)NCc2cccc(C#N)c2)Cc2ccccc2)cn1 ZINC000792378015 1077843953 /nfs/dbraw/zinc/84/39/53/1077843953.db2.gz MHUSHHUEYJVFRA-HSZRJFAPSA-N 1 1 417.513 2.627 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)n1 ZINC000790105389 1077950822 /nfs/dbraw/zinc/95/08/22/1077950822.db2.gz HEQQIQFXBRPIJV-FQEVSTJZSA-N 1 1 412.509 2.543 20 30 HFEDMO CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2C1CCC(C#N)(c2ccccc2)CC1 ZINC001170383878 1077964503 /nfs/dbraw/zinc/96/45/03/1077964503.db2.gz RKMSBCVEVIUAFE-QOPWXXACSA-N 1 1 411.546 2.727 20 30 HFEDMO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@H]3CC[N@H+]4CCCC[C@H]34)c2)s1 ZINC000790275517 1077993923 /nfs/dbraw/zinc/99/39/23/1077993923.db2.gz ZLJPWWQOLTUHIG-RBUKOAKNSA-N 1 1 408.527 2.646 20 30 HFEDMO C#CCN(C(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CCCC1 ZINC000806312053 1079565373 /nfs/dbraw/zinc/56/53/73/1079565373.db2.gz QMNKMHQAKWZYBH-SFHVURJKSA-N 1 1 421.463 2.800 20 30 HFEDMO C#CCN(C(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1CCCC1 ZINC000806312053 1079565382 /nfs/dbraw/zinc/56/53/82/1079565382.db2.gz QMNKMHQAKWZYBH-SFHVURJKSA-N 1 1 421.463 2.800 20 30 HFEDMO C#CCN(Cc1ccccc1)C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000806761766 1079982035 /nfs/dbraw/zinc/98/20/35/1079982035.db2.gz LUNLWJVMRUDVPV-HSZRJFAPSA-N 1 1 418.541 2.729 20 30 HFEDMO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807250030 1080406595 /nfs/dbraw/zinc/40/65/95/1080406595.db2.gz PDWPJUFNWLFPQM-AUUYWEPGSA-N 1 1 408.527 2.502 20 30 HFEDMO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)NCc3cccc(-c4ccc(C#N)s4)c3)CC[C@H]21 ZINC000807249847 1080408040 /nfs/dbraw/zinc/40/80/40/1080408040.db2.gz JEFGTOATRMSKCY-AZUAARDMSA-N 1 1 422.554 2.846 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000807337905 1080538971 /nfs/dbraw/zinc/53/89/71/1080538971.db2.gz YEMJPLRHDGGWSI-WMZHIEFXSA-N 1 1 419.525 2.769 20 30 HFEDMO C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000807404122 1080598504 /nfs/dbraw/zinc/59/85/04/1080598504.db2.gz ZNDFUVUSOVMNTQ-BGYRXZFFSA-N 1 1 419.525 2.896 20 30 HFEDMO C#CCN(Cc1ccccc1)C(=O)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000807404122 1080598516 /nfs/dbraw/zinc/59/85/16/1080598516.db2.gz ZNDFUVUSOVMNTQ-BGYRXZFFSA-N 1 1 419.525 2.896 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000807465238 1080642454 /nfs/dbraw/zinc/64/24/54/1080642454.db2.gz GWAHEPQWCVFLEU-VXNXHJTFSA-N 1 1 405.542 2.803 20 30 HFEDMO C#CC[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000807470470 1080651445 /nfs/dbraw/zinc/65/14/45/1080651445.db2.gz SDPHBNBGBPKQPM-IBGZPJMESA-N 1 1 411.468 2.917 20 30 HFEDMO Cc1cc(Cl)nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1C#N ZINC001164813234 720211313 /nfs/dbraw/zinc/21/13/13/720211313.db2.gz NRYWZYRCZFZVMB-UHFFFAOYSA-N 1 1 400.914 2.722 20 30 HFEDMO Cc1nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c(Cl)cc1C#N ZINC001164817948 720245978 /nfs/dbraw/zinc/24/59/78/720245978.db2.gz VAFJTUPETXZJOT-UHFFFAOYSA-N 1 1 400.914 2.722 20 30 HFEDMO C=CCNC(=O)c1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840732 720601851 /nfs/dbraw/zinc/60/18/51/720601851.db2.gz QMKWJGOVNHQLMQ-IRFCIJBXSA-N 1 1 408.550 2.572 20 30 HFEDMO Cc1cnc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c(C#C[Si](C)(C)C)c1 ZINC001164746881 720741420 /nfs/dbraw/zinc/74/14/20/720741420.db2.gz YUORESNZHKTFIQ-VQTJNVASSA-N 1 1 407.594 2.751 20 30 HFEDMO COCC[N@H+]1CCO[C@@H]2CN(c3cc(C#N)c4cc(Cl)ccc4n3)CC[C@@H]2C1 ZINC001164860792 720886847 /nfs/dbraw/zinc/88/68/47/720886847.db2.gz PEAHJJLXKICGDY-FOIQADDNSA-N 1 1 400.910 2.933 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)cc4C#N)C[C@@H]3C2)cn1 ZINC001164770167 721174250 /nfs/dbraw/zinc/17/42/50/721174250.db2.gz NZYVDRCEAFFQJZ-HOCLYGCPSA-N 1 1 406.868 2.843 20 30 HFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc(C)cc3C=NO)C2)C1 ZINC001164783072 721362389 /nfs/dbraw/zinc/36/23/89/721362389.db2.gz PDNMFDQNVIXZJC-JOCHJYFZSA-N 1 1 413.522 2.922 20 30 HFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc(C)cc3C=NO)C2)C1 ZINC001164783072 721362393 /nfs/dbraw/zinc/36/23/93/721362393.db2.gz PDNMFDQNVIXZJC-JOCHJYFZSA-N 1 1 413.522 2.922 20 30 HFEDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nccc5ccc(C#N)cc54)C3)O2)CC1 ZINC001164886136 721404368 /nfs/dbraw/zinc/40/43/68/721404368.db2.gz HVESEXSGDFFCFK-ZJSXRUAMSA-N 1 1 405.546 2.872 20 30 HFEDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(C#N)c5ccccc5n4)C3)O2)CC1 ZINC001164893085 721434296 /nfs/dbraw/zinc/43/42/96/721434296.db2.gz IYMHOTLSOJLMOW-RDPSFJRHSA-N 1 1 405.546 2.872 20 30 HFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc3[nH]cc(C#N)c31)CC2 ZINC001164789406 721448506 /nfs/dbraw/zinc/44/85/06/721448506.db2.gz VNLWUTHCMISZIX-IBGZPJMESA-N 1 1 424.549 2.563 20 30 HFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nnc(Cl)cc1C#N)CC2 ZINC001164785953 721454864 /nfs/dbraw/zinc/45/48/64/721454864.db2.gz KAKKAZIOSGYSBR-SFHVURJKSA-N 1 1 419.957 2.736 20 30 HFEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(C#N)cc2C#N)[C@@H]2CCCO[C@@H]12 ZINC001164803792 721552683 /nfs/dbraw/zinc/55/26/83/721552683.db2.gz JDRJCSKUYJNVEU-GUDVDZBRSA-N 1 1 408.893 2.742 20 30 HFEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)c(C#N)cc2C#N)[C@@H]2CCCO[C@@H]12 ZINC001164803792 721552685 /nfs/dbraw/zinc/55/26/85/721552685.db2.gz JDRJCSKUYJNVEU-GUDVDZBRSA-N 1 1 408.893 2.742 20 30 HFEDMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cnc(Cl)c(C#N)c2)CC1 ZINC001165011209 721738167 /nfs/dbraw/zinc/73/81/67/721738167.db2.gz PKEXSKCAGZAZQB-UHFFFAOYSA-N 1 1 411.884 2.675 20 30 HFEDMO CSc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3CCN(C)C)c1C#N ZINC001164927400 721869798 /nfs/dbraw/zinc/86/97/98/721869798.db2.gz UUZIDXCTAHIGGZ-RTBURBONSA-N 1 1 408.575 2.952 20 30 HFEDMO CSc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@H]2CC[N@H+]3CCN(C)C)c1C#N ZINC001164927400 721869799 /nfs/dbraw/zinc/86/97/99/721869799.db2.gz UUZIDXCTAHIGGZ-RTBURBONSA-N 1 1 408.575 2.952 20 30 HFEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CC[NH+](CCOc2ccccc2)CC1 ZINC001165045392 721954629 /nfs/dbraw/zinc/95/46/29/721954629.db2.gz TZHRJBKCABNRCC-UHFFFAOYSA-N 1 1 414.893 2.984 20 30 HFEDMO N#Cc1cc(C#N)c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nc1Cl ZINC001164964681 722055611 /nfs/dbraw/zinc/05/56/11/722055611.db2.gz WPZNNGMWHAWECI-UHFFFAOYSA-N 1 1 422.920 2.992 20 30 HFEDMO C=CC[C@@]1(C(=O)NC[C@@H](C)CN2CC[NH+](CC)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790634120 1078069540 /nfs/dbraw/zinc/06/95/40/1078069540.db2.gz RAQDBWDFSZBYFP-XXBNENTESA-N 1 1 422.614 2.722 20 30 HFEDMO C=CC[C@@]1(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CCCN1C(=O)OC(C)(C)C ZINC000790648442 1078093461 /nfs/dbraw/zinc/09/34/61/1078093461.db2.gz YKQMFWBWAIDVLC-CVDCTZTESA-N 1 1 420.598 2.571 20 30 HFEDMO COc1ccc(C)cc1C[NH+]1CCN(Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 ZINC000793484947 1078189745 /nfs/dbraw/zinc/18/97/45/1078189745.db2.gz URXXWWRCQIZUQS-UHFFFAOYSA-N 1 1 406.530 2.691 20 30 HFEDMO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000793808873 1078306611 /nfs/dbraw/zinc/30/66/11/1078306611.db2.gz GDHLUKVNMZHIBB-UHFFFAOYSA-N 1 1 403.486 2.797 20 30 HFEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCc1ccc(I)cc1 ZINC000794128281 1078375848 /nfs/dbraw/zinc/37/58/48/1078375848.db2.gz JRGZPIVLMRBDFV-PBHICJAKSA-N 1 1 410.299 2.826 20 30 HFEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCc1ccc(I)cc1 ZINC000794128281 1078375850 /nfs/dbraw/zinc/37/58/50/1078375850.db2.gz JRGZPIVLMRBDFV-PBHICJAKSA-N 1 1 410.299 2.826 20 30 HFEDMO C=CCOc1ccc(CNC(=O)NCC[NH+]2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000805013658 1078824381 /nfs/dbraw/zinc/82/43/81/1078824381.db2.gz DGSDTWHJITWCQE-UHFFFAOYSA-N 1 1 424.545 2.881 20 30 HFEDMO N#CCCN(CCC#N)C(=O)C[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805829814 1079298346 /nfs/dbraw/zinc/29/83/46/1079298346.db2.gz QVYHBQGDAXOFJS-LJQANCHMSA-N 1 1 403.527 2.556 20 30 HFEDMO N#CCCN(CCC#N)C(=O)C[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805829814 1079298351 /nfs/dbraw/zinc/29/83/51/1079298351.db2.gz QVYHBQGDAXOFJS-LJQANCHMSA-N 1 1 403.527 2.556 20 30 HFEDMO C[N@@H+]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001130549860 1079486468 /nfs/dbraw/zinc/48/64/68/1079486468.db2.gz JMKAFOGNUFIMNG-UXHICEINSA-N 1 1 414.550 2.959 20 30 HFEDMO C[N@H+]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001130549860 1079486471 /nfs/dbraw/zinc/48/64/71/1079486471.db2.gz JMKAFOGNUFIMNG-UXHICEINSA-N 1 1 414.550 2.959 20 30 HFEDMO C[N@H+]1CCC[C@@H](CCNC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C1 ZINC001626111948 1077154058 /nfs/dbraw/zinc/15/40/58/1077154058.db2.gz UETPEQJKTWGCPT-INIZCTEOSA-N 1 1 410.478 2.834 20 30 HFEDMO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)s1 ZINC000788573325 1077209950 /nfs/dbraw/zinc/20/99/50/1077209950.db2.gz OUBAUNOZPJQKMP-MSOLQXFVSA-N 1 1 408.527 2.646 20 30 HFEDMO N#Cc1ccc(N2CC[NH+](C[C@H](O)COc3ccccc3C(F)(F)F)CC2)cn1 ZINC000791052274 1077284357 /nfs/dbraw/zinc/28/43/57/1077284357.db2.gz XREYUXSBPXXJQM-KRWDZBQOSA-N 1 1 406.408 2.534 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](CC)[N@H+]2CCc3ccccc3C2)n1 ZINC000788867694 1077324731 /nfs/dbraw/zinc/32/47/31/1077324731.db2.gz YJIUSMVFHQCVBG-QHCPKHFHSA-N 1 1 423.561 2.511 20 30 HFEDMO CC[C@H](C#N)Oc1cc(CNC(=O)N(C)CC[N@@H+]2CCOC(C)(C)C2)ccc1OC ZINC000789008897 1077383429 /nfs/dbraw/zinc/38/34/29/1077383429.db2.gz SHSRHDKJYZRFBG-GOSISDBHSA-N 1 1 418.538 2.628 20 30 HFEDMO CC[C@H](C#N)Oc1cc(CNC(=O)N(C)CC[N@H+]2CCOC(C)(C)C2)ccc1OC ZINC000789008897 1077383436 /nfs/dbraw/zinc/38/34/36/1077383436.db2.gz SHSRHDKJYZRFBG-GOSISDBHSA-N 1 1 418.538 2.628 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000789068669 1077396272 /nfs/dbraw/zinc/39/62/72/1077396272.db2.gz YKJRCVQUOKIKLQ-OFNKIYASSA-N 1 1 423.561 2.585 20 30 HFEDMO C#CCn1ccc(C[N@H+](CCOC)CCC(=O)Nc2ccccc2Br)n1 ZINC000789324311 1077519910 /nfs/dbraw/zinc/51/99/10/1077519910.db2.gz IQZOZRUMPVKPHJ-UHFFFAOYSA-N 1 1 419.323 2.756 20 30 HFEDMO C#CCn1ccc(C[N@@H+](CCOC)CCC(=O)Nc2ccccc2Br)n1 ZINC000789324311 1077519915 /nfs/dbraw/zinc/51/99/15/1077519915.db2.gz IQZOZRUMPVKPHJ-UHFFFAOYSA-N 1 1 419.323 2.756 20 30 HFEDMO Cc1ccc(N(CCC#N)C(=O)C[N@H+](C)C2CCN(c3cnccn3)CC2)cc1C ZINC000789372718 1077543538 /nfs/dbraw/zinc/54/35/38/1077543538.db2.gz YONYVTFVUCGVRJ-UHFFFAOYSA-N 1 1 406.534 2.941 20 30 HFEDMO C#CCOc1cccc(NC(=O)C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000746806182 1077556226 /nfs/dbraw/zinc/55/62/26/1077556226.db2.gz DJEGEWDJUXPSLM-NRFANRHFSA-N 1 1 405.498 2.760 20 30 HFEDMO O=C(OCCC#Cc1ccc(C[NH+]2CCOCC2)cc1)C(F)(F)C1CCOCC1 ZINC000791837635 1077580433 /nfs/dbraw/zinc/58/04/33/1077580433.db2.gz SKSMBRONCGBHAR-UHFFFAOYSA-N 1 1 407.457 2.866 20 30 HFEDMO N#CC1(c2ccccc2)CCC([N@H+]2C[C@@H]3COC[C@H](C(=O)N4CCCO4)[C@@H]3C2)CC1 ZINC001170381041 1077963560 /nfs/dbraw/zinc/96/35/60/1077963560.db2.gz FLSQNIQPYCLYOF-UTTATTEKSA-N 1 1 409.530 2.749 20 30 HFEDMO CC(=O)N(C)Cc1nnc2n1CCC[N@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170381636 1077963605 /nfs/dbraw/zinc/96/36/05/1077963605.db2.gz UDJKEFBFAFTRMU-UHFFFAOYSA-N 1 1 406.534 2.866 20 30 HFEDMO CC(=O)N(C)Cc1nnc2n1CCC[N@@H+](C1CCC(C#N)(c3ccccc3)CC1)C2 ZINC001170381636 1077963607 /nfs/dbraw/zinc/96/36/07/1077963607.db2.gz UDJKEFBFAFTRMU-UHFFFAOYSA-N 1 1 406.534 2.866 20 30 HFEDMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1nc(C)nc(OC)c1C#N ZINC001170522022 1080494921 /nfs/dbraw/zinc/49/49/21/1080494921.db2.gz UNKXCNCQBVTNSL-UHFFFAOYSA-N 1 1 407.474 2.800 20 30 HFEDMO C#C[C@@H](NC(=O)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1)c1ccc(Cl)cc1F ZINC000807327890 1080526035 /nfs/dbraw/zinc/52/60/35/1080526035.db2.gz VYTXZTKDGAFNCF-QGZVFWFLSA-N 1 1 411.824 2.797 20 30 HFEDMO C=C(Br)CNC(=O)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000807452325 1080632182 /nfs/dbraw/zinc/63/21/82/1080632182.db2.gz QOJFVVABIGLBSA-UHFFFAOYSA-N 1 1 420.307 2.553 20 30 HFEDMO C=C(Br)CNC(=O)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000807452325 1080632189 /nfs/dbraw/zinc/63/21/89/1080632189.db2.gz QOJFVVABIGLBSA-UHFFFAOYSA-N 1 1 420.307 2.553 20 30 HFEDMO CCOC(=O)c1cc(C)nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COC)c1C#N ZINC001164813148 720093505 /nfs/dbraw/zinc/09/35/05/720093505.db2.gz SSVDQTNNSFKFNA-MBSDFSHPSA-N 1 1 412.534 2.623 20 30 HFEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nnc(Cl)cc1C#N)CC2 ZINC001164712147 720106072 /nfs/dbraw/zinc/10/60/72/720106072.db2.gz VZEMYESWHWNDPH-SFHVURJKSA-N 1 1 412.925 2.904 20 30 HFEDMO CSc1nc(Cl)c(C=NO)c(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164729253 720356661 /nfs/dbraw/zinc/35/66/61/720356661.db2.gz XQKBLNOGZZCCPB-HUUCEWRRSA-N 1 1 404.927 2.908 20 30 HFEDMO C=CCNC(=O)c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1 ZINC001164840737 720603236 /nfs/dbraw/zinc/60/32/36/720603236.db2.gz QMKWJGOVNHQLMQ-SFHLNBCPSA-N 1 1 408.550 2.572 20 30 HFEDMO N#CC1(c2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2)CCC1 ZINC001164745127 720828471 /nfs/dbraw/zinc/82/84/71/720828471.db2.gz WMBJYNGOPROJDP-CEMLEFRQSA-N 1 1 417.561 2.998 20 30 HFEDMO N#Cc1ccc(-c2ccncc2)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880922 721135804 /nfs/dbraw/zinc/13/58/04/721135804.db2.gz XOTYTKQOAWVBAS-YADHBBJMSA-N 1 1 412.497 2.890 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(C#N)c4)C[C@H]3C2)cn1 ZINC001164769912 721135863 /nfs/dbraw/zinc/13/58/63/721135863.db2.gz QAOCCRYURDHEFH-GDBMZVCRSA-N 1 1 406.868 2.843 20 30 HFEDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc(C5(C#N)CCC5)cn4)C3)O2)CC1 ZINC001164883594 721411031 /nfs/dbraw/zinc/41/10/31/721411031.db2.gz BEDWCIDMUODPKY-ZJSXRUAMSA-N 1 1 409.578 2.792 20 30 HFEDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc(C5(C#N)CCC5)cn4)C3)O2)CC1 ZINC001164883587 721411070 /nfs/dbraw/zinc/41/10/70/721411070.db2.gz BEDWCIDMUODPKY-QPPBQGQZSA-N 1 1 409.578 2.792 20 30 HFEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nccc(C#N)c1F)CC2 ZINC001164784243 721459307 /nfs/dbraw/zinc/45/93/07/721459307.db2.gz HFJWGDBRHNHLSU-LJQANCHMSA-N 1 1 402.514 2.826 20 30 HFEDMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2ccc(C#N)c(Cl)n2)CC1 ZINC001165007802 721731370 /nfs/dbraw/zinc/73/13/70/721731370.db2.gz HXJDJMWNUCYMLB-UHFFFAOYSA-N 1 1 411.884 2.675 20 30 HFEDMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cc(C#N)cc(Cl)n2)CC1 ZINC001165011876 721738493 /nfs/dbraw/zinc/73/84/93/721738493.db2.gz VMGSNXIISUVHSH-UHFFFAOYSA-N 1 1 411.884 2.675 20 30 HFEDMO N#Cc1c[nH]c2nc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)ccc12 ZINC001164963231 722057228 /nfs/dbraw/zinc/05/72/28/722057228.db2.gz JFZFPCRMLKDDNE-UHFFFAOYSA-N 1 1 402.502 2.949 20 30 HFEDMO N#Cc1cc(F)c(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164976538 722100370 /nfs/dbraw/zinc/10/03/70/722100370.db2.gz DVHMIVDJRKCSBU-QAPCUYQASA-N 1 1 401.873 2.868 20 30 HFEDMO C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)Cn1cc2c(c(C#N)c1=O)CCCC2 ZINC000793491515 1078200677 /nfs/dbraw/zinc/20/06/77/1078200677.db2.gz TUDZKDBRICFRJZ-FQEVSTJZSA-N 1 1 420.557 2.779 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000793843323 1078312272 /nfs/dbraw/zinc/31/22/72/1078312272.db2.gz UCCOSTBCPPGXLZ-IFMALSPDSA-N 1 1 406.530 2.843 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000793843329 1078312279 /nfs/dbraw/zinc/31/22/79/1078312279.db2.gz UCCOSTBCPPGXLZ-RBBKRZOGSA-N 1 1 406.530 2.843 20 30 HFEDMO C#C[C@H](NC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1)c1ccc(Cl)cc1F ZINC000804419400 1078468619 /nfs/dbraw/zinc/46/86/19/1078468619.db2.gz MCVDDYJMQHTMLZ-QOKNQOGYSA-N 1 1 405.901 2.602 20 30 HFEDMO C#CC[C@H](Cc1ccccc1)NC(=O)c1nnn(-c2cccc3c2CC[N@H+](C)C3)c1C ZINC000804453306 1078491141 /nfs/dbraw/zinc/49/11/41/1078491141.db2.gz DKAFOTIKJGZPAS-OAQYLSRUSA-N 1 1 413.525 2.928 20 30 HFEDMO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)c2)s1 ZINC000804731429 1078589199 /nfs/dbraw/zinc/58/91/99/1078589199.db2.gz NITVFCJTXHOINY-SFHVURJKSA-N 1 1 408.527 2.503 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1ccncc1 ZINC000805199376 1078952716 /nfs/dbraw/zinc/95/27/16/1078952716.db2.gz YXYQHXKYBMWCNI-ZJSXRUAMSA-N 1 1 406.530 2.986 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805805918 1079282196 /nfs/dbraw/zinc/28/21/96/1079282196.db2.gz GSZOQRHFOGAXQG-YADHBBJMSA-N 1 1 406.530 2.938 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000805807418 1079282713 /nfs/dbraw/zinc/28/27/13/1079282713.db2.gz HIOQWQHUBXOSQM-QIJUGHKUSA-N 1 1 406.530 2.842 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000805812837 1079287376 /nfs/dbraw/zinc/28/73/76/1079287376.db2.gz AMZISLUFZKFASO-JQVVWYNYSA-N 1 1 406.530 2.936 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@H]1C)c1ccncc1 ZINC000805812837 1079287381 /nfs/dbraw/zinc/28/73/81/1079287381.db2.gz AMZISLUFZKFASO-JQVVWYNYSA-N 1 1 406.530 2.936 20 30 HFEDMO C[N@@H+]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001130549862 1079486564 /nfs/dbraw/zinc/48/65/64/1079486564.db2.gz JMKAFOGNUFIMNG-WOJBJXKFSA-N 1 1 414.550 2.959 20 30 HFEDMO C[N@H+]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H](Cc2ccccc2)C1 ZINC001130549862 1079486567 /nfs/dbraw/zinc/48/65/67/1079486567.db2.gz JMKAFOGNUFIMNG-WOJBJXKFSA-N 1 1 414.550 2.959 20 30 HFEDMO COc1ccc(CNC(=O)NCc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1C#N ZINC000746716312 1077003292 /nfs/dbraw/zinc/00/32/92/1077003292.db2.gz MGNCWDLJWMHAPP-QGZVFWFLSA-N 1 1 408.502 2.787 20 30 HFEDMO COc1ccc(CNC(=O)NCc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cc1C#N ZINC000746716312 1077003298 /nfs/dbraw/zinc/00/32/98/1077003298.db2.gz MGNCWDLJWMHAPP-QGZVFWFLSA-N 1 1 408.502 2.787 20 30 HFEDMO C=CCSc1nc2ccccc2n1C[N@H+]1CCC[C@@H](N2CCCS2(=O)=O)C1 ZINC000788388241 1077139536 /nfs/dbraw/zinc/13/95/36/1077139536.db2.gz QUAYGDISDMJBAM-MRXNPFEDSA-N 1 1 406.577 2.772 20 30 HFEDMO CC[C@H](C#N)Oc1cc(CNC(=O)N(C)CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OC ZINC000789009994 1077383796 /nfs/dbraw/zinc/38/37/96/1077383796.db2.gz ZECFJVWTHFEPLG-ZIFCJYIRSA-N 1 1 418.538 2.627 20 30 HFEDMO CC[C@H](C#N)Oc1cc(CNC(=O)N(C)CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OC ZINC000789009994 1077383800 /nfs/dbraw/zinc/38/38/00/1077383800.db2.gz ZECFJVWTHFEPLG-ZIFCJYIRSA-N 1 1 418.538 2.627 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000789074729 1077397267 /nfs/dbraw/zinc/39/72/67/1077397267.db2.gz NMYYEITXKRNOMX-SFHVURJKSA-N 1 1 420.517 2.930 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000789165684 1077440677 /nfs/dbraw/zinc/44/06/77/1077440677.db2.gz ACXSCCNKCDTFJS-IFMALSPDSA-N 1 1 423.561 2.585 20 30 HFEDMO C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)n1 ZINC000789794759 1077801164 /nfs/dbraw/zinc/80/11/64/1077801164.db2.gz KTWKGZJIYGRKDA-IBGZPJMESA-N 1 1 421.545 2.735 20 30 HFEDMO CCc1n[nH]c(C2CC[NH+](Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CC2)n1 ZINC000792397546 1077834188 /nfs/dbraw/zinc/83/41/88/1077834188.db2.gz LZVFZDHZAUGTJZ-MRXNPFEDSA-N 1 1 401.474 2.784 20 30 HFEDMO CCc1nc(C2CC[NH+](Cc3cc(=O)n4c5ccccc5[nH]c4c3C#N)CC2)n[nH]1 ZINC000792397546 1077834196 /nfs/dbraw/zinc/83/41/96/1077834196.db2.gz LZVFZDHZAUGTJZ-MRXNPFEDSA-N 1 1 401.474 2.784 20 30 HFEDMO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807249985 1080407356 /nfs/dbraw/zinc/40/73/56/1080407356.db2.gz NPBKLWKAGKYZFR-BEFAXECRSA-N 1 1 410.543 2.702 20 30 HFEDMO C[C@@H]1C[C@H](NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C[N@H+]1C1CC1 ZINC000807249938 1080407402 /nfs/dbraw/zinc/40/74/02/1080407402.db2.gz MKDBMSGAOVWQCM-PBHICJAKSA-N 1 1 408.527 2.644 20 30 HFEDMO C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000807543735 1080760288 /nfs/dbraw/zinc/76/02/88/1080760288.db2.gz KZTVZXSGQQCFNM-APWZRJJASA-N 1 1 409.461 2.555 20 30 HFEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nnc(Cl)cc1C#N)CC2 ZINC001164712146 720106556 /nfs/dbraw/zinc/10/65/56/720106556.db2.gz VZEMYESWHWNDPH-GOSISDBHSA-N 1 1 412.925 2.904 20 30 HFEDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nccc3ccc(C#N)cc31)CCC2 ZINC001164812883 720218994 /nfs/dbraw/zinc/21/89/94/720218994.db2.gz KAHFKVZLAWKSBV-UHFFFAOYSA-N 1 1 402.502 2.914 20 30 HFEDMO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164746351 720624144 /nfs/dbraw/zinc/62/41/44/720624144.db2.gz XYCVIVZTELVWSN-WOJBJXKFSA-N 1 1 416.460 2.891 20 30 HFEDMO Cc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c(Cl)cc1C#N ZINC001164750409 720859051 /nfs/dbraw/zinc/85/90/51/720859051.db2.gz PSQBMKWTRSSQSX-QWFCFKBJSA-N 1 1 411.941 2.886 20 30 HFEDMO Cc1nc(C#N)cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164753337 720903753 /nfs/dbraw/zinc/90/37/53/720903753.db2.gz GNCBMHDGMGUZOT-ZJSXRUAMSA-N 1 1 418.545 2.807 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc(C#N)cc(Cl)n4)C[C@H]3C2)cn1 ZINC001164769942 721141228 /nfs/dbraw/zinc/14/12/28/721141228.db2.gz QLWJJEBBOZBFID-HZPDHXFCSA-N 1 1 406.868 2.843 20 30 HFEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(C#N)ccc4NC(=O)C(C)(C)C)C[C@H]3C2)cn1 ZINC001164773349 721173491 /nfs/dbraw/zinc/17/34/91/721173491.db2.gz WMOQAHAFDYKDNW-ZWKOTPCHSA-N 1 1 421.549 2.630 20 30 HFEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3C#N)C2)C1 ZINC001164776836 721340145 /nfs/dbraw/zinc/34/01/45/721340145.db2.gz DETTYSJCARYSLL-FQEVSTJZSA-N 1 1 416.913 2.726 20 30 HFEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3C#N)C2)C1 ZINC001164776836 721340149 /nfs/dbraw/zinc/34/01/49/721340149.db2.gz DETTYSJCARYSLL-FQEVSTJZSA-N 1 1 416.913 2.726 20 30 HFEDMO COc1cc(C#N)nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164778603 721352780 /nfs/dbraw/zinc/35/27/80/721352780.db2.gz NKDSWYHRABITSW-JOCHJYFZSA-N 1 1 411.506 2.686 20 30 HFEDMO COc1cc(C#N)nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164778603 721352781 /nfs/dbraw/zinc/35/27/81/721352781.db2.gz NKDSWYHRABITSW-JOCHJYFZSA-N 1 1 411.506 2.686 20 30 HFEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cnc1C#N)CC2 ZINC001164787791 721454047 /nfs/dbraw/zinc/45/40/47/721454047.db2.gz QPPJAAAELPPFAB-KRWDZBQOSA-N 1 1 419.957 2.736 20 30 HFEDMO COC(=O)c1cc(C#N)cnc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164910960 721765031 /nfs/dbraw/zinc/76/50/31/721765031.db2.gz MGZMNMNLBVGACC-UHFFFAOYSA-N 1 1 417.469 2.923 20 30 HFEDMO COC(=O)c1cc(C#N)cnc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164910960 721765034 /nfs/dbraw/zinc/76/50/34/721765034.db2.gz MGZMNMNLBVGACC-UHFFFAOYSA-N 1 1 417.469 2.923 20 30 HFEDMO CCc1nc(C#N)c(C#N)nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165022300 721829766 /nfs/dbraw/zinc/82/97/66/721829766.db2.gz GVIJSUSBWIDJMK-CECAUBDESA-N 1 1 401.518 2.914 20 30 HFEDMO N#Cc1cnc2cc[nH]c(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)c1-2 ZINC001164960673 722058683 /nfs/dbraw/zinc/05/86/83/722058683.db2.gz GUMFIRBONPRKEG-UHFFFAOYSA-N 1 1 402.502 2.949 20 30 HFEDMO CCOC(=O)Nc1ccc(NC(=O)c2c(C)nn(C)c2-n2cc[nH+]c2C)cc1C#N ZINC000793717811 1078263902 /nfs/dbraw/zinc/26/39/02/1078263902.db2.gz MPUBBXONLABUTE-UHFFFAOYSA-N 1 1 407.434 2.915 20 30 HFEDMO Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1C ZINC000747230381 1078947648 /nfs/dbraw/zinc/94/76/48/1078947648.db2.gz RFANTDPGSQBCQI-PMACEKPBSA-N 1 1 407.518 2.674 20 30 HFEDMO C=CC[C@@H](NC(=O)C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccncc1 ZINC000805814754 1079287782 /nfs/dbraw/zinc/28/77/82/1079287782.db2.gz GLZQGEFRTSUUTJ-RBBKRZOGSA-N 1 1 406.530 2.796 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)c1ccncc1 ZINC000805814214 1079288202 /nfs/dbraw/zinc/28/82/02/1079288202.db2.gz MLBYZZMZBIULEC-NRFANRHFSA-N 1 1 406.530 2.938 20 30 HFEDMO C=CC[C@H](NC(=O)C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1ccncc1 ZINC000805814214 1079288206 /nfs/dbraw/zinc/28/82/06/1079288206.db2.gz MLBYZZMZBIULEC-NRFANRHFSA-N 1 1 406.530 2.938 20 30 HFEDMO N#CCOc1cccc(CC(=O)N2CCO[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001130528515 1079465083 /nfs/dbraw/zinc/46/50/83/1079465083.db2.gz NQTBZKGNSFLKNH-PKTZIBPZSA-N 1 1 405.498 2.633 20 30 HFEDMO COc1ccc(CNC(=O)NC[C@@H](C)[NH+]2CCN(c3ccccc3)CC2)cc1C#N ZINC000746706221 1076907256 /nfs/dbraw/zinc/90/72/56/1076907256.db2.gz YJFHAAHXHFFMGO-GOSISDBHSA-N 1 1 407.518 2.577 20 30 HFEDMO Cc1c(C)n(Cc2ccco2)c(NC(=O)COC(=O)[C@@H](C(C)C)[NH+](C)C)c1C#N ZINC000787957489 1077008518 /nfs/dbraw/zinc/00/85/18/1077008518.db2.gz AHOMGPDVPYXLKI-LJQANCHMSA-N 1 1 400.479 2.686 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000789062715 1077395012 /nfs/dbraw/zinc/39/50/12/1077395012.db2.gz PSNXWPFPWYNXCQ-RBBKRZOGSA-N 1 1 423.561 2.727 20 30 HFEDMO C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000789165687 1077440701 /nfs/dbraw/zinc/44/07/01/1077440701.db2.gz ACXSCCNKCDTFJS-UNMCSNQZSA-N 1 1 423.561 2.585 20 30 HFEDMO N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000746789933 1077463075 /nfs/dbraw/zinc/46/30/75/1077463075.db2.gz LNIQXQWSGJETKJ-QFIPXVFZSA-N 1 1 402.498 2.835 20 30 HFEDMO C#CCNC(=O)COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC000789277982 1077493340 /nfs/dbraw/zinc/49/33/40/1077493340.db2.gz LXHBVBJONGQDAQ-LEWJYISDSA-N 1 1 410.901 2.848 20 30 HFEDMO C[C@H]1CC[C@H]([N@@H+](CC(=O)N2C[C@@H](F)C[C@H]2C#N)C(C)(C)CC(=O)N2CCCC2)C1 ZINC001170159226 1077537102 /nfs/dbraw/zinc/53/71/02/1077537102.db2.gz RRHVUQPJZVPFAV-VJANTYMQSA-N 1 1 406.546 2.731 20 30 HFEDMO C[C@@H](C#N)Oc1ccccc1NC(=O)CC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000792307987 1077799036 /nfs/dbraw/zinc/79/90/36/1077799036.db2.gz UBYIJUIEDZVPHR-INIZCTEOSA-N 1 1 402.495 2.859 20 30 HFEDMO CNC(=O)CN1CCOC[C@@]2(CCC[N@H+](C3CCC(C#N)(c4ccccc4)CC3)C2)C1 ZINC001170383428 1077964366 /nfs/dbraw/zinc/96/43/66/1077964366.db2.gz LOVFKXFKBDVCDD-JYNIAERNSA-N 1 1 424.589 2.551 20 30 HFEDMO N#Cc1cccnc1NCCNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000806535514 1079807132 /nfs/dbraw/zinc/80/71/32/1079807132.db2.gz UVYMMJGCSTXYGR-HSZRJFAPSA-N 1 1 404.518 2.673 20 30 HFEDMO CN(CCC[N@@H+](C)Cc1ccco1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N ZINC000807110003 1080287055 /nfs/dbraw/zinc/28/70/55/1080287055.db2.gz OXFGUTJPRHVLOC-SJLPKXTDSA-N 1 1 419.526 2.502 20 30 HFEDMO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 ZINC000807250031 1080406722 /nfs/dbraw/zinc/40/67/22/1080406722.db2.gz PDWPJUFNWLFPQM-IFXJQAMLSA-N 1 1 408.527 2.502 20 30 HFEDMO N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CC[NH+](C4CCC4)CC3)c2)s1 ZINC000807249378 1080409633 /nfs/dbraw/zinc/40/96/33/1080409633.db2.gz RSAOGJTZFTZCHC-UHFFFAOYSA-N 1 1 408.527 2.600 20 30 HFEDMO CCOC(=O)C1=C(Nc2cc3ncnc-3c(C#N)[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC001170521781 1080513653 /nfs/dbraw/zinc/51/36/53/1080513653.db2.gz OZQHUACAFOFEAL-UHFFFAOYSA-N 1 1 402.458 2.965 20 30 HFEDMO CCOC(=O)C1=C(Nc2cnc(C#N)c([N+](=O)[O-])c2)CC[N@@H+](Cc2ccccc2)C1 ZINC001170522885 1080560160 /nfs/dbraw/zinc/56/01/60/1080560160.db2.gz TWPCHUFSNZHWFJ-UHFFFAOYSA-N 1 1 407.430 2.996 20 30 HFEDMO CCOC(=O)C1C[N@H+](Cc2ccccc2)CCC1=Nc1cnc(C#N)c([N+](=O)[O-])c1 ZINC001170522885 1080560166 /nfs/dbraw/zinc/56/01/66/1080560166.db2.gz TWPCHUFSNZHWFJ-UHFFFAOYSA-N 1 1 407.430 2.996 20 30 HFEDMO CCOC(=O)C1C[N@@H+](Cc2ccccc2)CCC1=Nc1cnc(C#N)c([N+](=O)[O-])c1 ZINC001170522885 1080560170 /nfs/dbraw/zinc/56/01/70/1080560170.db2.gz TWPCHUFSNZHWFJ-UHFFFAOYSA-N 1 1 407.430 2.996 20 30 HFEDMO