smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]([NH2+]C1(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)CCOCC1)c1ccccc1 ZINC000237404332 854024537 /nfs/dbraw/zinc/02/45/37/854024537.db2.gz QAKAZFIUAZUGDG-OAQYLSRUSA-N 2 2 406.574 4.026 20 30 HIEDLP N#CCCn1cc(C[NH2+]CCc2[nH+]ccn2Cc2ccccc2)c(-c2ccccc2)n1 ZINC000237830293 854105725 /nfs/dbraw/zinc/10/57/25/854105725.db2.gz SBGNIKZXWXUXPF-UHFFFAOYSA-N 2 2 410.525 4.041 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3cccc(OCC(F)(F)F)c3)CC2)cc1 ZINC000463247286 876304169 /nfs/dbraw/zinc/30/41/69/876304169.db2.gz VRQZVYVWSAUFJE-UHFFFAOYSA-N 2 2 417.475 4.296 20 30 HIEDLP Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000481174511 896509945 /nfs/dbraw/zinc/50/99/45/896509945.db2.gz HSIYBPWJQMOZHS-QPPBQGQZSA-N 2 2 418.585 4.050 20 30 HIEDLP Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000481174511 896509957 /nfs/dbraw/zinc/50/99/57/896509957.db2.gz HSIYBPWJQMOZHS-QPPBQGQZSA-N 2 2 418.585 4.050 20 30 HIEDLP CC[N@H+](CCOc1cccc(C#N)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533531995 931896203 /nfs/dbraw/zinc/89/62/03/931896203.db2.gz QMDJIPIBNYORHA-UHFFFAOYSA-N 2 2 407.562 4.150 20 30 HIEDLP CC[N@@H+](CCOc1cccc(C#N)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533531995 931896206 /nfs/dbraw/zinc/89/62/06/931896206.db2.gz QMDJIPIBNYORHA-UHFFFAOYSA-N 2 2 407.562 4.150 20 30 HIEDLP CN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534195244 932325541 /nfs/dbraw/zinc/32/55/41/932325541.db2.gz DTHKZCSPYYOQNZ-SFTDATJTSA-N 2 2 417.985 4.013 20 30 HIEDLP CN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534195244 932325545 /nfs/dbraw/zinc/32/55/45/932325545.db2.gz DTHKZCSPYYOQNZ-SFTDATJTSA-N 2 2 417.985 4.013 20 30 HIEDLP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000556896955 942956856 /nfs/dbraw/zinc/95/68/56/942956856.db2.gz IBSVLHDTLFHPJZ-SKBVVQJISA-N 2 2 403.570 4.464 20 30 HIEDLP C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OCC ZINC000561983075 944885414 /nfs/dbraw/zinc/88/54/14/944885414.db2.gz NAODBZXCGVAMIF-YJBOKZPZSA-N 2 2 411.384 4.185 20 30 HIEDLP C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OCC ZINC000561983075 944885420 /nfs/dbraw/zinc/88/54/20/944885420.db2.gz NAODBZXCGVAMIF-YJBOKZPZSA-N 2 2 411.384 4.185 20 30 HIEDLP C=CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1OCC ZINC000561983075 944885423 /nfs/dbraw/zinc/88/54/23/944885423.db2.gz NAODBZXCGVAMIF-YJBOKZPZSA-N 2 2 411.384 4.185 20 30 HIEDLP C=CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OCC ZINC000561983075 944885426 /nfs/dbraw/zinc/88/54/26/944885426.db2.gz NAODBZXCGVAMIF-YJBOKZPZSA-N 2 2 411.384 4.185 20 30 HIEDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000441380708 866452368 /nfs/dbraw/zinc/45/23/68/866452368.db2.gz RBZUDVNGLGOORX-VGOFRKELSA-N 2 2 421.932 4.383 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437109 912445508 /nfs/dbraw/zinc/44/55/08/912445508.db2.gz WWYMYJYRQIKIKZ-RTBURBONSA-N 2 2 412.603 4.064 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437109 912445519 /nfs/dbraw/zinc/44/55/19/912445519.db2.gz WWYMYJYRQIKIKZ-RTBURBONSA-N 2 2 412.603 4.064 20 30 HIEDLP Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(C#N)c1C ZINC000478044609 893184212 /nfs/dbraw/zinc/18/42/12/893184212.db2.gz GXRLQUZFZUDDGU-FUHWJXTLSA-N 2 2 400.567 4.072 20 30 HIEDLP Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c(C#N)c1C ZINC000478044609 893184225 /nfs/dbraw/zinc/18/42/25/893184225.db2.gz GXRLQUZFZUDDGU-FUHWJXTLSA-N 2 2 400.567 4.072 20 30 HIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C)CC1 ZINC000482778066 898385555 /nfs/dbraw/zinc/38/55/55/898385555.db2.gz FVBPHALVDJIVDX-UHFFFAOYSA-N 2 2 403.368 4.073 20 30 HIEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000491227277 904490857 /nfs/dbraw/zinc/49/08/57/904490857.db2.gz AZURVCONDFJIFB-NLFFAJNJSA-N 2 2 413.569 4.444 20 30 HIEDLP C[C@@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000491227277 904490872 /nfs/dbraw/zinc/49/08/72/904490872.db2.gz AZURVCONDFJIFB-NLFFAJNJSA-N 2 2 413.569 4.444 20 30 HIEDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000491227277 904490881 /nfs/dbraw/zinc/49/08/81/904490881.db2.gz AZURVCONDFJIFB-NLFFAJNJSA-N 2 2 413.569 4.444 20 30 HIEDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000491227277 904490894 /nfs/dbraw/zinc/49/08/94/904490894.db2.gz AZURVCONDFJIFB-NLFFAJNJSA-N 2 2 413.569 4.444 20 30 HIEDLP CCOc1ccc(CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1OCC ZINC000539499425 938869174 /nfs/dbraw/zinc/86/91/74/938869174.db2.gz IDNWRCMMXRXQTD-UHFFFAOYSA-N 2 2 407.558 4.152 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000540605563 939317607 /nfs/dbraw/zinc/31/76/07/939317607.db2.gz AYIPPYGWUCKXBZ-XZOQPEGZSA-N 2 2 413.924 4.435 20 30 HIEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000541201937 939485364 /nfs/dbraw/zinc/48/53/64/939485364.db2.gz CVFXUJGKXZKRKV-JOCHJYFZSA-N 2 2 421.589 4.328 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541202444 939485433 /nfs/dbraw/zinc/48/54/33/939485433.db2.gz KLVSXXATYYAVQY-IBGZPJMESA-N 2 2 400.592 4.040 20 30 HIEDLP C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OCC ZINC000561983069 944885665 /nfs/dbraw/zinc/88/56/65/944885665.db2.gz NAODBZXCGVAMIF-CRAIPNDOSA-N 2 2 411.384 4.185 20 30 HIEDLP C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OCC ZINC000561983069 944885668 /nfs/dbraw/zinc/88/56/68/944885668.db2.gz NAODBZXCGVAMIF-CRAIPNDOSA-N 2 2 411.384 4.185 20 30 HIEDLP C=CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1OCC ZINC000561983069 944885678 /nfs/dbraw/zinc/88/56/78/944885678.db2.gz NAODBZXCGVAMIF-CRAIPNDOSA-N 2 2 411.384 4.185 20 30 HIEDLP C=CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OCC ZINC000561983069 944885680 /nfs/dbraw/zinc/88/56/80/944885680.db2.gz NAODBZXCGVAMIF-CRAIPNDOSA-N 2 2 411.384 4.185 20 30 HIEDLP [NH2+]=C(NCc1cccc(C[NH+]2CCOCC2)c1)Nc1cccc(Oc2ccccc2)c1 ZINC000304476721 855356729 /nfs/dbraw/zinc/35/67/29/855356729.db2.gz HRFRTDNJFVWXAB-UHFFFAOYSA-N 2 2 416.525 4.238 20 30 HIEDLP C[NH+]1CCC(CNC(=[NH2+])Nc2cccc(Oc3ccccc3)c2)([NH+]2CCCCC2)CC1 ZINC000304806146 855358849 /nfs/dbraw/zinc/35/88/49/855358849.db2.gz RXGCXZGDXYMIHG-UHFFFAOYSA-N 3 2 421.589 4.156 20 30 HIEDLP C=CCSc1ccccc1NC(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434759889 860484460 /nfs/dbraw/zinc/48/44/60/860484460.db2.gz XMYANFJTLIYKCC-UHFFFAOYSA-N 2 2 410.587 4.316 20 30 HIEDLP COC(=O)CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000462913053 875938027 /nfs/dbraw/zinc/93/80/27/875938027.db2.gz YSGONFOSXOSOOG-LJQANCHMSA-N 2 2 405.542 4.293 20 30 HIEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000518286623 927146249 /nfs/dbraw/zinc/14/62/49/927146249.db2.gz DHAQYBSSJFDKLV-UHFFFAOYSA-N 2 2 416.569 4.347 20 30 HIEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OCC ZINC000518838056 927538090 /nfs/dbraw/zinc/53/80/90/927538090.db2.gz JHPBMBWZKKRDGY-MRXNPFEDSA-N 2 2 420.351 4.136 20 30 HIEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1OCC ZINC000518838056 927538114 /nfs/dbraw/zinc/53/81/14/927538114.db2.gz JHPBMBWZKKRDGY-MRXNPFEDSA-N 2 2 420.351 4.136 20 30 HIEDLP Cc1oc(NC(=O)[C@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(C#N)c1C ZINC000535676978 933326258 /nfs/dbraw/zinc/32/62/58/933326258.db2.gz SVIIVYVQWPUHLJ-IBGZPJMESA-N 2 2 420.557 4.083 20 30 HIEDLP Cc1oc(NC(=O)[C@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c(C#N)c1C ZINC000535676978 933326270 /nfs/dbraw/zinc/32/62/70/933326270.db2.gz SVIIVYVQWPUHLJ-IBGZPJMESA-N 2 2 420.557 4.083 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccnc(OCc4ccccc4)c3)CC2)cc1 ZINC000537296980 933703721 /nfs/dbraw/zinc/70/37/21/933703721.db2.gz IEYPKXSKNOUGAL-UHFFFAOYSA-N 2 2 412.537 4.286 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@H+]4Cc3ccccc3)CC2)cc1 ZINC000538395419 938610509 /nfs/dbraw/zinc/61/05/09/938610509.db2.gz NEKPSHFQVQNTTL-COZMKHHLSA-N 2 2 414.597 4.308 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4Cc3ccccc3)CC2)cc1 ZINC000538395419 938610511 /nfs/dbraw/zinc/61/05/11/938610511.db2.gz NEKPSHFQVQNTTL-COZMKHHLSA-N 2 2 414.597 4.308 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCN(Cc4c(F)cccc4F)C3)CC2)cc1 ZINC000538395397 938610791 /nfs/dbraw/zinc/61/07/91/938610791.db2.gz MSOYHPCDMBDMCP-QFIPXVFZSA-N 2 2 424.539 4.055 20 30 HIEDLP CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1 ZINC000539497334 938868938 /nfs/dbraw/zinc/86/89/38/938868938.db2.gz DQVXGCNDOYERHV-UHFFFAOYSA-N 2 2 405.542 4.268 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H](c3ccc4c(c3)OCCO4)C3CC3)CC2)cc1 ZINC000540591104 939312911 /nfs/dbraw/zinc/31/29/11/939312911.db2.gz GLYDHRRMJXEUKG-VWLOTQADSA-N 2 2 403.526 4.035 20 30 HIEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(C)C ZINC000544231847 940362063 /nfs/dbraw/zinc/36/20/63/940362063.db2.gz WFVMEFCVOHAWFQ-FYYLOGMGSA-N 2 2 412.622 4.308 20 30 HIEDLP [NH2+]=C(NCCc1cccs1)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000303968035 855328715 /nfs/dbraw/zinc/32/87/15/855328715.db2.gz ACUNJIFKHIWGEX-UHFFFAOYSA-N 2 2 415.566 4.307 20 30 HIEDLP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429438512 857668569 /nfs/dbraw/zinc/66/85/69/857668569.db2.gz VPRVRTQHJKEJAV-JNLGVIEDSA-N 2 2 403.570 4.271 20 30 HIEDLP N#CC1(c2ccccc2)CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429438512 857668580 /nfs/dbraw/zinc/66/85/80/857668580.db2.gz VPRVRTQHJKEJAV-JNLGVIEDSA-N 2 2 403.570 4.271 20 30 HIEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)c(C)c1 ZINC000441364164 866432077 /nfs/dbraw/zinc/43/20/77/866432077.db2.gz LRDDVFLHTYMVTC-URXFXBBRSA-N 2 2 415.541 4.166 20 30 HIEDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000471047170 885559228 /nfs/dbraw/zinc/55/92/28/885559228.db2.gz HSRZZFMOGPOXJO-HSZRJFAPSA-N 2 2 407.558 4.310 20 30 HIEDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000471047170 885559264 /nfs/dbraw/zinc/55/92/64/885559264.db2.gz HSRZZFMOGPOXJO-HSZRJFAPSA-N 2 2 407.558 4.310 20 30 HIEDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000471047170 885559277 /nfs/dbraw/zinc/55/92/77/885559277.db2.gz HSRZZFMOGPOXJO-HSZRJFAPSA-N 2 2 407.558 4.310 20 30 HIEDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000471047170 885559291 /nfs/dbraw/zinc/55/92/91/885559291.db2.gz HSRZZFMOGPOXJO-HSZRJFAPSA-N 2 2 407.558 4.310 20 30 HIEDLP C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183953 896529483 /nfs/dbraw/zinc/52/94/83/896529483.db2.gz SRUSBLZIEGABDT-FPOVZHCZSA-N 2 2 409.599 4.403 20 30 HIEDLP C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183953 896529499 /nfs/dbraw/zinc/52/94/99/896529499.db2.gz SRUSBLZIEGABDT-FPOVZHCZSA-N 2 2 409.599 4.403 20 30 HIEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000508672717 917438367 /nfs/dbraw/zinc/43/83/67/917438367.db2.gz AXRNKGHJLPNFCK-OAQYLSRUSA-N 2 2 400.526 4.325 20 30 HIEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000508672717 917438374 /nfs/dbraw/zinc/43/83/74/917438374.db2.gz AXRNKGHJLPNFCK-OAQYLSRUSA-N 2 2 400.526 4.325 20 30 HIEDLP C=CCOc1c(Br)cc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OCC ZINC000518838055 927537333 /nfs/dbraw/zinc/53/73/33/927537333.db2.gz JHPBMBWZKKRDGY-INIZCTEOSA-N 2 2 420.351 4.136 20 30 HIEDLP C=CCOc1c(Br)cc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1OCC ZINC000518838055 927537344 /nfs/dbraw/zinc/53/73/44/927537344.db2.gz JHPBMBWZKKRDGY-INIZCTEOSA-N 2 2 420.351 4.136 20 30 HIEDLP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000539509076 938870888 /nfs/dbraw/zinc/87/08/88/938870888.db2.gz SRLILKPBRZGVMG-ATIYNZHBSA-N 3 2 416.613 4.413 20 30 HIEDLP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000539509076 938870889 /nfs/dbraw/zinc/87/08/89/938870889.db2.gz SRLILKPBRZGVMG-ATIYNZHBSA-N 3 2 416.613 4.413 20 30 HIEDLP Cc1c(Cl)cccc1NC(=O)CC[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000540593684 939313396 /nfs/dbraw/zinc/31/33/96/939313396.db2.gz JGWBUOUGDHRVKA-UHFFFAOYSA-N 2 2 410.949 4.103 20 30 HIEDLP C=C(C)COc1cc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)ccc1OC ZINC000540626985 939323146 /nfs/dbraw/zinc/32/31/46/939323146.db2.gz XKTUSLBSMCIOFB-UHFFFAOYSA-N 2 2 410.562 4.188 20 30 HIEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000548931914 941130683 /nfs/dbraw/zinc/13/06/83/941130683.db2.gz HUIUVPHDEMMWQI-OAQYLSRUSA-N 2 2 410.949 4.040 20 30 HIEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000548931914 941130684 /nfs/dbraw/zinc/13/06/84/941130684.db2.gz HUIUVPHDEMMWQI-OAQYLSRUSA-N 2 2 410.949 4.040 20 30 HIEDLP CSc1ccc([C@H](CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[NH+](C)C)cc1 ZINC000555643314 942684867 /nfs/dbraw/zinc/68/48/67/942684867.db2.gz HSOSACHROPQSOG-DEOSSOPVSA-N 2 2 408.615 4.137 20 30 HIEDLP Cc1sc(NC(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(C#N)c1C ZINC000427000308 856588304 /nfs/dbraw/zinc/58/83/04/856588304.db2.gz BSSLYJBLMOLPNK-UHFFFAOYSA-N 2 2 410.587 4.019 20 30 HIEDLP Cc1sc(NC(=O)C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)c(C#N)c1C ZINC000427000308 856588310 /nfs/dbraw/zinc/58/83/10/856588310.db2.gz BSSLYJBLMOLPNK-UHFFFAOYSA-N 2 2 410.587 4.019 20 30 HIEDLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000444190501 868658988 /nfs/dbraw/zinc/65/89/88/868658988.db2.gz HKEPRNVGCRGWAL-DEOSSOPVSA-N 2 2 419.569 4.454 20 30 HIEDLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000444190501 868658992 /nfs/dbraw/zinc/65/89/92/868658992.db2.gz HKEPRNVGCRGWAL-DEOSSOPVSA-N 2 2 419.569 4.454 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@]3(Cc4ccc(F)cc4)CCC[C@H]3O)CC2)cc1 ZINC000463235109 876290637 /nfs/dbraw/zinc/29/06/37/876290637.db2.gz GGFXUSYDTOWHBK-CLJLJLNGSA-N 2 2 421.560 4.025 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841074 878108367 /nfs/dbraw/zinc/10/83/67/878108367.db2.gz WFIUVVBNQVSCCY-IRLDBZIGSA-N 2 2 411.615 4.105 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841074 878108396 /nfs/dbraw/zinc/10/83/96/878108396.db2.gz WFIUVVBNQVSCCY-IRLDBZIGSA-N 2 2 411.615 4.105 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464841074 878108417 /nfs/dbraw/zinc/10/84/17/878108417.db2.gz WFIUVVBNQVSCCY-IRLDBZIGSA-N 2 2 411.615 4.105 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464841074 878108435 /nfs/dbraw/zinc/10/84/35/878108435.db2.gz WFIUVVBNQVSCCY-IRLDBZIGSA-N 2 2 411.615 4.105 20 30 HIEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000481180732 896521183 /nfs/dbraw/zinc/52/11/83/896521183.db2.gz XRLFYCCBHMUMOI-XXBNENTESA-N 2 2 424.976 4.087 20 30 HIEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000481180732 896521198 /nfs/dbraw/zinc/52/11/98/896521198.db2.gz XRLFYCCBHMUMOI-XXBNENTESA-N 2 2 424.976 4.087 20 30 HIEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000508620369 917387842 /nfs/dbraw/zinc/38/78/42/917387842.db2.gz JGAJAIXNLRFIAR-JOCHJYFZSA-N 2 2 400.526 4.325 20 30 HIEDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000508620369 917387854 /nfs/dbraw/zinc/38/78/54/917387854.db2.gz JGAJAIXNLRFIAR-JOCHJYFZSA-N 2 2 400.526 4.325 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccnc(N4CCCCCC4)c3)CC2)cc1 ZINC000527108490 930592914 /nfs/dbraw/zinc/59/29/14/930592914.db2.gz FLXWDUUDKMQSOE-UHFFFAOYSA-N 2 2 403.574 4.088 20 30 HIEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537979452 938445640 /nfs/dbraw/zinc/44/56/40/938445640.db2.gz GZLIHOJLDUDWAL-XKCQYKTASA-N 2 2 404.558 4.143 20 30 HIEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537979452 938445646 /nfs/dbraw/zinc/44/56/46/938445646.db2.gz GZLIHOJLDUDWAL-XKCQYKTASA-N 2 2 404.558 4.143 20 30 HIEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537979450 938445672 /nfs/dbraw/zinc/44/56/72/938445672.db2.gz GZLIHOJLDUDWAL-QKUGCNQQSA-N 2 2 404.558 4.143 20 30 HIEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537979450 938445675 /nfs/dbraw/zinc/44/56/75/938445675.db2.gz GZLIHOJLDUDWAL-QKUGCNQQSA-N 2 2 404.558 4.143 20 30 HIEDLP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537979449 938445712 /nfs/dbraw/zinc/44/57/12/938445712.db2.gz GZLIHOJLDUDWAL-ONWOKTLXSA-N 2 2 404.558 4.143 20 30 HIEDLP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537979449 938445713 /nfs/dbraw/zinc/44/57/13/938445713.db2.gz GZLIHOJLDUDWAL-ONWOKTLXSA-N 2 2 404.558 4.143 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCCN(c4ccccc4Cl)C3)CC2)cc1 ZINC000539494887 938868527 /nfs/dbraw/zinc/86/85/27/938868527.db2.gz TZSHJDFEKJMACR-QFIPXVFZSA-N 2 2 408.977 4.435 20 30 HIEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000539497748 938868915 /nfs/dbraw/zinc/86/89/15/938868915.db2.gz UZZAIXYZSDYRIA-SFHVURJKSA-N 2 2 402.542 4.222 20 30 HIEDLP Cc1cc(C[C@@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n(-c2ccccc2)n1 ZINC000539510519 938871172 /nfs/dbraw/zinc/87/11/72/938871172.db2.gz FPVSXIGPHPVDHX-HXUWFJFHSA-N 2 2 413.569 4.238 20 30 HIEDLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(OC[C@@H]2CCCO2)c1 ZINC000540594790 939314081 /nfs/dbraw/zinc/31/40/81/939314081.db2.gz OKVOOGQXGZXUJX-VWLOTQADSA-N 2 2 419.569 4.179 20 30 HIEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000549888911 941228742 /nfs/dbraw/zinc/22/87/42/941228742.db2.gz FYYBWSFGPLLTMG-SFHVURJKSA-N 2 2 403.505 4.198 20 30 HIEDLP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1OCc1cccc(C#N)c1 ZINC000550238350 941302478 /nfs/dbraw/zinc/30/24/78/941302478.db2.gz BRRZGSMEMSEUHP-RUZDIDTESA-N 2 2 405.542 4.064 20 30 HIEDLP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1OCc1cccc(C#N)c1 ZINC000550238350 941302483 /nfs/dbraw/zinc/30/24/83/941302483.db2.gz BRRZGSMEMSEUHP-RUZDIDTESA-N 2 2 405.542 4.064 20 30 HIEDLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1OCc1cccc(C#N)c1 ZINC000550238350 941302488 /nfs/dbraw/zinc/30/24/88/941302488.db2.gz BRRZGSMEMSEUHP-RUZDIDTESA-N 2 2 405.542 4.064 20 30 HIEDLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1OCc1cccc(C#N)c1 ZINC000550238350 941302493 /nfs/dbraw/zinc/30/24/93/941302493.db2.gz BRRZGSMEMSEUHP-RUZDIDTESA-N 2 2 405.542 4.064 20 30 HIEDLP CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000556896949 942956660 /nfs/dbraw/zinc/95/66/60/942956660.db2.gz IBSVLHDTLFHPJZ-AYRHNUGRSA-N 2 2 403.570 4.464 20 30 HIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2cc(Br)c(OC(F)F)c(OC)c2)CC1 ZINC000237112822 853966319 /nfs/dbraw/zinc/96/63/19/853966319.db2.gz RARURNYBMKJLQI-UHFFFAOYSA-N 2 2 419.310 4.189 20 30 HIEDLP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000532584775 931542028 /nfs/dbraw/zinc/54/20/28/931542028.db2.gz RNPDRGMMZORAPN-HSZRJFAPSA-N 2 2 405.542 4.064 20 30 HIEDLP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000532584775 931542039 /nfs/dbraw/zinc/54/20/39/931542039.db2.gz RNPDRGMMZORAPN-HSZRJFAPSA-N 2 2 405.542 4.064 20 30 HIEDLP C=CCOc1ccc(CNc2ccc(N3CCC([NH+](C)C)CC3)c[nH+]2)cc1Cl ZINC000533187728 931804748 /nfs/dbraw/zinc/80/47/48/931804748.db2.gz JBPDUQHPGOTJNR-UHFFFAOYSA-N 2 2 400.954 4.442 20 30 HIEDLP C=CCOc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534205436 932330572 /nfs/dbraw/zinc/33/05/72/932330572.db2.gz FVFAOXLJPUPZBU-PKTZIBPZSA-N 2 2 414.594 4.052 20 30 HIEDLP C=CCOc1cccc(NC(=O)N(C)[C@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534205436 932330578 /nfs/dbraw/zinc/33/05/78/932330578.db2.gz FVFAOXLJPUPZBU-PKTZIBPZSA-N 2 2 414.594 4.052 20 30 HIEDLP Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(C#N)c1C ZINC000535676987 933326758 /nfs/dbraw/zinc/32/67/58/933326758.db2.gz SVIIVYVQWPUHLJ-LJQANCHMSA-N 2 2 420.557 4.083 20 30 HIEDLP Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c(C#N)c1C ZINC000535676987 933326770 /nfs/dbraw/zinc/32/67/70/933326770.db2.gz SVIIVYVQWPUHLJ-LJQANCHMSA-N 2 2 420.557 4.083 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3csc(-c4ccccc4)n3)CC2)cc1 ZINC000539499448 938869121 /nfs/dbraw/zinc/86/91/21/938869121.db2.gz JPPBQVCMCLLDRH-UHFFFAOYSA-N 2 2 402.567 4.478 20 30 HIEDLP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000539509078 938870875 /nfs/dbraw/zinc/87/08/75/938870875.db2.gz SRLILKPBRZGVMG-GJZUVCINSA-N 3 2 416.613 4.413 20 30 HIEDLP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000539509078 938870876 /nfs/dbraw/zinc/87/08/76/938870876.db2.gz SRLILKPBRZGVMG-GJZUVCINSA-N 3 2 416.613 4.413 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(NC(=O)c4ccco4)cc3)CC2)cc1 ZINC000540598221 939315771 /nfs/dbraw/zinc/31/57/71/939315771.db2.gz BGXCBZHJQVVQKX-UHFFFAOYSA-N 2 2 414.509 4.158 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccccc3OC(F)(F)F)CC2)cc1 ZINC000540607743 939318269 /nfs/dbraw/zinc/31/82/69/939318269.db2.gz XFJDBWBDXVQXCM-UHFFFAOYSA-N 2 2 403.448 4.254 20 30 HIEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(C)C ZINC000544231850 940362164 /nfs/dbraw/zinc/36/21/64/940362164.db2.gz WFVMEFCVOHAWFQ-JTHBVZDNSA-N 2 2 412.622 4.308 20 30 HIEDLP C=C(C)COc1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000428546603 857255968 /nfs/dbraw/zinc/25/59/68/857255968.db2.gz KYRLEMGUNLGKIE-HSZRJFAPSA-N 2 2 410.558 4.031 20 30 HIEDLP C=C(C)COc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000428546603 857255984 /nfs/dbraw/zinc/25/59/84/857255984.db2.gz KYRLEMGUNLGKIE-HSZRJFAPSA-N 2 2 410.558 4.031 20 30 HIEDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000441380704 866452236 /nfs/dbraw/zinc/45/22/36/866452236.db2.gz RBZUDVNGLGOORX-HTAPYJJXSA-N 2 2 421.932 4.383 20 30 HIEDLP Cc1c[nH+]ccc1OC1CC[NH+](Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000447083979 870975921 /nfs/dbraw/zinc/97/59/21/870975921.db2.gz CKPOYCQGXAVPIZ-UHFFFAOYSA-N 2 2 401.514 4.211 20 30 HIEDLP FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503413091 912397861 /nfs/dbraw/zinc/39/78/61/912397861.db2.gz RVODMEGUQCPVOR-GOSISDBHSA-N 2 2 403.448 4.349 20 30 HIEDLP FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503413091 912397882 /nfs/dbraw/zinc/39/78/82/912397882.db2.gz RVODMEGUQCPVOR-GOSISDBHSA-N 2 2 403.448 4.349 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437103 912445447 /nfs/dbraw/zinc/44/54/47/912445447.db2.gz WWYMYJYRQIKIKZ-MOPGFXCFSA-N 2 2 412.603 4.064 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437103 912445457 /nfs/dbraw/zinc/44/54/57/912445457.db2.gz WWYMYJYRQIKIKZ-MOPGFXCFSA-N 2 2 412.603 4.064 20 30 HIEDLP C=CCOc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534205434 932330953 /nfs/dbraw/zinc/33/09/53/932330953.db2.gz FVFAOXLJPUPZBU-GOTSBHOMSA-N 2 2 414.594 4.052 20 30 HIEDLP C=CCOc1cccc(NC(=O)N(C)[C@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534205434 932330965 /nfs/dbraw/zinc/33/09/65/932330965.db2.gz FVFAOXLJPUPZBU-GOTSBHOMSA-N 2 2 414.594 4.052 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOc3cccc(Cl)c3Cl)CC2)cc1 ZINC000539495080 938868494 /nfs/dbraw/zinc/86/84/94/938868494.db2.gz CRSYIMAZJPWEIU-UHFFFAOYSA-N 2 2 404.341 4.498 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccnc(OC4CCCCC4)c3)CC2)cc1 ZINC000540593510 939313469 /nfs/dbraw/zinc/31/34/69/939313469.db2.gz HRWHWOBDBQBOFG-UHFFFAOYSA-N 2 2 404.558 4.419 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(Br)c(F)c3)CC2)cc1 ZINC000540605853 939317737 /nfs/dbraw/zinc/31/77/37/939317737.db2.gz KUOSEEVZASFFIR-UHFFFAOYSA-N 2 2 402.311 4.214 20 30 HIEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(Br)c(C)c(Br)c2)CC1 ZINC000556386601 942854177 /nfs/dbraw/zinc/85/41/77/942854177.db2.gz JJAWRVSITGQIGD-UHFFFAOYSA-N 2 2 402.174 4.260 20 30 HIEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1 ZINC000236663721 853909392 /nfs/dbraw/zinc/90/93/92/853909392.db2.gz JRRHRZKOHLSZST-UHFFFAOYSA-N 2 2 417.513 4.188 20 30 HIEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)CC1 ZINC000237401659 854023576 /nfs/dbraw/zinc/02/35/76/854023576.db2.gz ZILYZNWGLNIDQI-UHFFFAOYSA-N 2 2 402.542 4.288 20 30 HIEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000441380709 866452201 /nfs/dbraw/zinc/45/22/01/866452201.db2.gz RBZUDVNGLGOORX-VGSWGCGISA-N 2 2 421.932 4.383 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)CC2)cc1 ZINC000463235112 876289287 /nfs/dbraw/zinc/28/92/87/876289287.db2.gz GGFXUSYDTOWHBK-UIOOFZCWSA-N 2 2 421.560 4.025 20 30 HIEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481169829 896505565 /nfs/dbraw/zinc/50/55/65/896505565.db2.gz GHUMOXXCFPELLU-RCZVLFRGSA-N 2 2 418.585 4.050 20 30 HIEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481169829 896505588 /nfs/dbraw/zinc/50/55/88/896505588.db2.gz GHUMOXXCFPELLU-RCZVLFRGSA-N 2 2 418.585 4.050 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183392 896527565 /nfs/dbraw/zinc/52/75/65/896527565.db2.gz RUFXQZWZXVREOV-JTAQYXEDSA-N 2 2 411.615 4.151 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183392 896527586 /nfs/dbraw/zinc/52/75/86/896527586.db2.gz RUFXQZWZXVREOV-JTAQYXEDSA-N 2 2 411.615 4.151 20 30 HIEDLP CC[N@@H+](Cc1cc(C#N)ccc1Br)CC1CCN(c2cccc[nH+]2)CC1 ZINC000492777708 904902371 /nfs/dbraw/zinc/90/23/71/904902371.db2.gz YWXWDQARVIQWSA-UHFFFAOYSA-N 2 2 413.363 4.454 20 30 HIEDLP CC[N@H+](Cc1cc(C#N)ccc1Br)CC1CCN(c2cccc[nH+]2)CC1 ZINC000492777708 904902403 /nfs/dbraw/zinc/90/24/03/904902403.db2.gz YWXWDQARVIQWSA-UHFFFAOYSA-N 2 2 413.363 4.454 20 30 HIEDLP C=CCOc1c(Br)cc(C[N@H+](C)C2CC[NH+](CC)CC2)cc1OCC ZINC000506688158 915367021 /nfs/dbraw/zinc/36/70/21/915367021.db2.gz FOSICBGUSWNZHP-UHFFFAOYSA-N 2 2 411.384 4.329 20 30 HIEDLP C=CCOc1c(Br)cc(C[N@@H+](C)C2CC[NH+](CC)CC2)cc1OCC ZINC000506688158 915367043 /nfs/dbraw/zinc/36/70/43/915367043.db2.gz FOSICBGUSWNZHP-UHFFFAOYSA-N 2 2 411.384 4.329 20 30 HIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000532230962 931364374 /nfs/dbraw/zinc/36/43/74/931364374.db2.gz POVJKBFHWQADRK-CYBMUJFWSA-N 2 2 403.876 4.316 20 30 HIEDLP C=CCOc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534205438 932330523 /nfs/dbraw/zinc/33/05/23/932330523.db2.gz FVFAOXLJPUPZBU-XZOQPEGZSA-N 2 2 414.594 4.052 20 30 HIEDLP C=CCOc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534205438 932330529 /nfs/dbraw/zinc/33/05/29/932330529.db2.gz FVFAOXLJPUPZBU-XZOQPEGZSA-N 2 2 414.594 4.052 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccc(COC4CCOCC4)c3)CC2)cc1 ZINC000537288455 933698532 /nfs/dbraw/zinc/69/85/32/933698532.db2.gz BESSLIDOUAGXPN-UHFFFAOYSA-N 2 2 419.569 4.008 20 30 HIEDLP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537979451 938445478 /nfs/dbraw/zinc/44/54/78/938445478.db2.gz GZLIHOJLDUDWAL-UNQZTGDCSA-N 2 2 404.558 4.143 20 30 HIEDLP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(Oc2ccccc2C#N)CC1 ZINC000537979451 938445482 /nfs/dbraw/zinc/44/54/82/938445482.db2.gz GZLIHOJLDUDWAL-UNQZTGDCSA-N 2 2 404.558 4.143 20 30 HIEDLP CN1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000540606745 939318075 /nfs/dbraw/zinc/31/80/75/939318075.db2.gz RYAGWEQFSSKWQY-RPWUZVMVSA-N 2 2 408.977 4.211 20 30 HIEDLP CC(C)OC(=O)C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000554879609 942305987 /nfs/dbraw/zinc/30/59/87/942305987.db2.gz XDJACBIUFTWZCB-DEOSSOPVSA-N 2 2 405.542 4.195 20 30 HIEDLP N#Cc1ccc2cc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164908506 721699797 /nfs/dbraw/zinc/69/97/97/721699797.db2.gz ZOTXHCBNSQLZKW-QHCPKHFHSA-N 2 2 419.479 4.239 20 30 HIEDLP N#Cc1ccc2cc[nH+]c(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164908506 721699807 /nfs/dbraw/zinc/69/98/07/721699807.db2.gz ZOTXHCBNSQLZKW-QHCPKHFHSA-N 2 2 419.479 4.239 20 30 HIEDLP N#CCCn1cc(C(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c2ccccc21 ZINC000110185115 853070588 /nfs/dbraw/zinc/07/05/88/853070588.db2.gz WKGKYKSDZKTQFR-UHFFFAOYSA-N 2 2 406.574 4.326 20 30 HIEDLP COc1ccccc1[C@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC(C)C ZINC000463272670 876330936 /nfs/dbraw/zinc/33/09/36/876330936.db2.gz SFTYDCRPRWYBDU-VWLOTQADSA-N 2 2 407.558 4.287 20 30 HIEDLP Cc1c(C)n(C2CCCCC2)c(NC(=O)C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1C#N ZINC000467132316 880881065 /nfs/dbraw/zinc/88/10/65/880881065.db2.gz TZURKIXBYVBLKM-UHFFFAOYSA-N 2 2 408.550 4.023 20 30 HIEDLP CC[N@H+](CCCC1(C#N)CCOCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000499539618 908833474 /nfs/dbraw/zinc/83/34/74/908833474.db2.gz SQIRLZOHITXRMO-UHFFFAOYSA-N 2 2 413.610 4.300 20 30 HIEDLP CC[N@@H+](CCCC1(C#N)CCOCC1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000499539618 908833475 /nfs/dbraw/zinc/83/34/75/908833475.db2.gz SQIRLZOHITXRMO-UHFFFAOYSA-N 2 2 413.610 4.300 20 30 HIEDLP COc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000533484439 931881955 /nfs/dbraw/zinc/88/19/55/931881955.db2.gz GRDMCDFLXPSFFY-UHFFFAOYSA-N 2 2 402.498 4.179 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3nc4ccccc4n3C(F)F)CC2)cc1 ZINC000538406392 938612868 /nfs/dbraw/zinc/61/28/68/938612868.db2.gz CPNLQJZVKVYGPZ-UHFFFAOYSA-N 2 2 409.484 4.100 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000540605561 939317447 /nfs/dbraw/zinc/31/74/47/939317447.db2.gz AYIPPYGWUCKXBZ-GOTSBHOMSA-N 2 2 413.924 4.435 20 30 HIEDLP CN1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000540606743 939318281 /nfs/dbraw/zinc/31/82/81/939318281.db2.gz RYAGWEQFSSKWQY-BJKOFHAPSA-N 2 2 408.977 4.211 20 30 HIEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713795 849617271 /nfs/dbraw/zinc/61/72/71/849617271.db2.gz MOEZYXLKQNDQKC-QGZVFWFLSA-N 2 2 414.619 4.023 20 30 HIEDLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000470958144 885455688 /nfs/dbraw/zinc/45/56/88/885455688.db2.gz GRIGTTWSMXDMMG-DEOSSOPVSA-N 2 2 419.569 4.310 20 30 HIEDLP COc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000470958144 885455699 /nfs/dbraw/zinc/45/56/99/885455699.db2.gz GRIGTTWSMXDMMG-DEOSSOPVSA-N 2 2 419.569 4.310 20 30 HIEDLP COc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000470958144 885455708 /nfs/dbraw/zinc/45/57/08/885455708.db2.gz GRIGTTWSMXDMMG-DEOSSOPVSA-N 2 2 419.569 4.310 20 30 HIEDLP COc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000470958144 885455716 /nfs/dbraw/zinc/45/57/16/885455716.db2.gz GRIGTTWSMXDMMG-DEOSSOPVSA-N 2 2 419.569 4.310 20 30 HIEDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000471047171 885558650 /nfs/dbraw/zinc/55/86/50/885558650.db2.gz HSRZZFMOGPOXJO-QHCPKHFHSA-N 2 2 407.558 4.310 20 30 HIEDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000471047171 885558670 /nfs/dbraw/zinc/55/86/70/885558670.db2.gz HSRZZFMOGPOXJO-QHCPKHFHSA-N 2 2 407.558 4.310 20 30 HIEDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000471047171 885558688 /nfs/dbraw/zinc/55/86/88/885558688.db2.gz HSRZZFMOGPOXJO-QHCPKHFHSA-N 2 2 407.558 4.310 20 30 HIEDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000471047171 885558704 /nfs/dbraw/zinc/55/87/04/885558704.db2.gz HSRZZFMOGPOXJO-QHCPKHFHSA-N 2 2 407.558 4.310 20 30 HIEDLP C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481183955 896530918 /nfs/dbraw/zinc/53/09/18/896530918.db2.gz SRUSBLZIEGABDT-TZIWHRDSSA-N 2 2 409.599 4.403 20 30 HIEDLP C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481183955 896530928 /nfs/dbraw/zinc/53/09/28/896530928.db2.gz SRUSBLZIEGABDT-TZIWHRDSSA-N 2 2 409.599 4.403 20 30 HIEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726115 928060210 /nfs/dbraw/zinc/06/02/10/928060210.db2.gz QTOGXSCVEIJGHG-SFTDATJTSA-N 2 2 424.614 4.146 20 30 HIEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726115 928060229 /nfs/dbraw/zinc/06/02/29/928060229.db2.gz QTOGXSCVEIJGHG-SFTDATJTSA-N 2 2 424.614 4.146 20 30 HIEDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726115 928060245 /nfs/dbraw/zinc/06/02/45/928060245.db2.gz QTOGXSCVEIJGHG-SFTDATJTSA-N 2 2 424.614 4.146 20 30 HIEDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726115 928060260 /nfs/dbraw/zinc/06/02/60/928060260.db2.gz QTOGXSCVEIJGHG-SFTDATJTSA-N 2 2 424.614 4.146 20 30 HIEDLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1Br ZINC000537293400 933701146 /nfs/dbraw/zinc/70/11/46/933701146.db2.gz QSDSCYVWRYMXHB-UHFFFAOYSA-N 2 2 414.347 4.084 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccc(OC(F)(F)F)cc3)CC2)cc1 ZINC000538397219 938610783 /nfs/dbraw/zinc/61/07/83/938610783.db2.gz VGDXVQQHWVGXIP-UHFFFAOYSA-N 2 2 403.448 4.254 20 30 HIEDLP C[C@H]([NH2+]C1(C[NH2+]Cc2ccc(N(C)CCC#N)cc2)CCOCC1)c1ccccc1 ZINC000237527678 854050437 /nfs/dbraw/zinc/05/04/37/854050437.db2.gz QAKAZFIUAZUGDG-NRFANRHFSA-N 2 2 406.574 4.026 20 30 HIEDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)c(C)c1 ZINC000441364166 866432205 /nfs/dbraw/zinc/43/22/05/866432205.db2.gz LRDDVFLHTYMVTC-ZJSXRUAMSA-N 2 2 415.541 4.166 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@@]3(Cc4ccc(F)cc4)CCC[C@H]3O)CC2)cc1 ZINC000463235110 876290711 /nfs/dbraw/zinc/29/07/11/876290711.db2.gz GGFXUSYDTOWHBK-FTJBHMTQSA-N 2 2 421.560 4.025 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841072 878109524 /nfs/dbraw/zinc/10/95/24/878109524.db2.gz WFIUVVBNQVSCCY-IFMALSPDSA-N 2 2 411.615 4.105 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841072 878109527 /nfs/dbraw/zinc/10/95/27/878109527.db2.gz WFIUVVBNQVSCCY-IFMALSPDSA-N 2 2 411.615 4.105 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464841072 878109533 /nfs/dbraw/zinc/10/95/33/878109533.db2.gz WFIUVVBNQVSCCY-IFMALSPDSA-N 2 2 411.615 4.105 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464841072 878109540 /nfs/dbraw/zinc/10/95/40/878109540.db2.gz WFIUVVBNQVSCCY-IFMALSPDSA-N 2 2 411.615 4.105 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841076 878109811 /nfs/dbraw/zinc/10/98/11/878109811.db2.gz WFIUVVBNQVSCCY-RBBKRZOGSA-N 2 2 411.615 4.105 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841076 878109816 /nfs/dbraw/zinc/10/98/16/878109816.db2.gz WFIUVVBNQVSCCY-RBBKRZOGSA-N 2 2 411.615 4.105 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464841076 878109820 /nfs/dbraw/zinc/10/98/20/878109820.db2.gz WFIUVVBNQVSCCY-RBBKRZOGSA-N 2 2 411.615 4.105 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464841076 878109825 /nfs/dbraw/zinc/10/98/25/878109825.db2.gz WFIUVVBNQVSCCY-RBBKRZOGSA-N 2 2 411.615 4.105 20 30 HIEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481169827 896504790 /nfs/dbraw/zinc/50/47/90/896504790.db2.gz GHUMOXXCFPELLU-DHLKQENFSA-N 2 2 418.585 4.050 20 30 HIEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481169827 896504814 /nfs/dbraw/zinc/50/48/14/896504814.db2.gz GHUMOXXCFPELLU-DHLKQENFSA-N 2 2 418.585 4.050 20 30 HIEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000508672716 917437953 /nfs/dbraw/zinc/43/79/53/917437953.db2.gz AXRNKGHJLPNFCK-NRFANRHFSA-N 2 2 400.526 4.325 20 30 HIEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccc3C#N)c2)C1 ZINC000508672716 917437962 /nfs/dbraw/zinc/43/79/62/917437962.db2.gz AXRNKGHJLPNFCK-NRFANRHFSA-N 2 2 400.526 4.325 20 30 HIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000512013449 920785294 /nfs/dbraw/zinc/78/52/94/920785294.db2.gz ATWNVOZEBHOGNP-ZDUSSCGKSA-N 2 2 403.876 4.316 20 30 HIEDLP N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534968153 932866559 /nfs/dbraw/zinc/86/65/59/932866559.db2.gz XJZWYJFAZRJCHQ-UHFFFAOYSA-N 2 2 422.960 4.138 20 30 HIEDLP N#Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534968153 932866563 /nfs/dbraw/zinc/86/65/63/932866563.db2.gz XJZWYJFAZRJCHQ-UHFFFAOYSA-N 2 2 422.960 4.138 20 30 HIEDLP CCOc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1OC(F)F ZINC000537293431 933700949 /nfs/dbraw/zinc/70/09/49/933700949.db2.gz SHFYJNTZMKCABX-UHFFFAOYSA-N 2 2 415.484 4.313 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCN(c4ccc(Cl)c(F)c4)C3)CC2)cc1 ZINC000537307153 933707966 /nfs/dbraw/zinc/70/79/66/933707966.db2.gz LSHXWOILCPONLS-HXUWFJFHSA-N 2 2 412.940 4.184 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCC(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000538394484 938610154 /nfs/dbraw/zinc/61/01/54/938610154.db2.gz CCDVEXRCJSZMLI-UHFFFAOYSA-N 2 2 410.949 4.185 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCN(Cc4c(F)cccc4F)C3)CC2)cc1 ZINC000538395396 938610157 /nfs/dbraw/zinc/61/01/57/938610157.db2.gz MSOYHPCDMBDMCP-JOCHJYFZSA-N 2 2 424.539 4.055 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccc(OCC(F)(F)F)c3)CC2)cc1 ZINC000539498455 938868833 /nfs/dbraw/zinc/86/88/33/938868833.db2.gz HFBOWBAFNUCXBA-UHFFFAOYSA-N 2 2 403.448 4.254 20 30 HIEDLP CCCCOc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000540598452 939316084 /nfs/dbraw/zinc/31/60/84/939316084.db2.gz LOOQRDAWZKGDQS-UHFFFAOYSA-N 2 2 407.558 4.500 20 30 HIEDLP COc1cc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)ccc1OCc1cccc(C#N)c1 ZINC000542265189 939777756 /nfs/dbraw/zinc/77/77/56/939777756.db2.gz FLIHGXCPMTYKHK-UHFFFAOYSA-N 2 2 405.542 4.206 20 30 HIEDLP COc1cc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)ccc1OCc1cccc(C#N)c1 ZINC000542265189 939777766 /nfs/dbraw/zinc/77/77/66/939777766.db2.gz FLIHGXCPMTYKHK-UHFFFAOYSA-N 2 2 405.542 4.206 20 30 HIEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000052713794 849617494 /nfs/dbraw/zinc/61/74/94/849617494.db2.gz MOEZYXLKQNDQKC-KRWDZBQOSA-N 2 2 414.619 4.023 20 30 HIEDLP N#Cc1ccc2ncc(C[NH2+]Cc3ccccc3-c3ccc(Cn4cc[nH+]c4)cc3)n2c1 ZINC000237857008 854109536 /nfs/dbraw/zinc/10/95/36/854109536.db2.gz HACVIEAXLOXASY-UHFFFAOYSA-N 2 2 418.504 4.408 20 30 HIEDLP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429438511 857668174 /nfs/dbraw/zinc/66/81/74/857668174.db2.gz VPRVRTQHJKEJAV-GXUWAKPLSA-N 2 2 403.570 4.271 20 30 HIEDLP N#CC1(c2ccccc2)CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429438511 857668191 /nfs/dbraw/zinc/66/81/91/857668191.db2.gz VPRVRTQHJKEJAV-GXUWAKPLSA-N 2 2 403.570 4.271 20 30 HIEDLP COc1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1OCc1cccc(C#N)c1 ZINC000431608900 858687765 /nfs/dbraw/zinc/68/77/65/858687765.db2.gz LMVXSOIOICYXEZ-QHCPKHFHSA-N 2 2 415.493 4.194 20 30 HIEDLP COc1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)ccc1OCc1cccc(C#N)c1 ZINC000431608900 858687777 /nfs/dbraw/zinc/68/77/77/858687777.db2.gz LMVXSOIOICYXEZ-QHCPKHFHSA-N 2 2 415.493 4.194 20 30 HIEDLP CC[N@H+](Cc1cc(C#N)ccc1OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440700517 865869519 /nfs/dbraw/zinc/86/95/19/865869519.db2.gz GFZJETRJFBOBQO-UHFFFAOYSA-N 2 2 407.562 4.280 20 30 HIEDLP CC[N@@H+](Cc1cc(C#N)ccc1OC)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000440700517 865869520 /nfs/dbraw/zinc/86/95/20/865869520.db2.gz GFZJETRJFBOBQO-UHFFFAOYSA-N 2 2 407.562 4.280 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cc([N+](=O)[O-])cc(C(F)(F)F)c3)CC2)cc1 ZINC000463243888 876299625 /nfs/dbraw/zinc/29/96/25/876299625.db2.gz DUVCHYVAFOPBSB-UHFFFAOYSA-N 2 2 418.419 4.239 20 30 HIEDLP C=CCOc1c(Br)cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1OCC ZINC000475141094 890007244 /nfs/dbraw/zinc/00/72/44/890007244.db2.gz UOJXKJYWPCZRAL-UHFFFAOYSA-N 2 2 423.395 4.473 20 30 HIEDLP C=CCOc1c(Br)cc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1OCC ZINC000475141094 890007250 /nfs/dbraw/zinc/00/72/50/890007250.db2.gz UOJXKJYWPCZRAL-UHFFFAOYSA-N 2 2 423.395 4.473 20 30 HIEDLP CC(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000479976767 895329095 /nfs/dbraw/zinc/32/90/95/895329095.db2.gz GONSAAVTLZLCTR-RUZDIDTESA-N 2 2 413.569 4.131 20 30 HIEDLP CC(C)[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000479976767 895329114 /nfs/dbraw/zinc/32/91/14/895329114.db2.gz GONSAAVTLZLCTR-RUZDIDTESA-N 2 2 413.569 4.131 20 30 HIEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000481180731 896520238 /nfs/dbraw/zinc/52/02/38/896520238.db2.gz XRLFYCCBHMUMOI-WMZHIEFXSA-N 2 2 424.976 4.087 20 30 HIEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000481180731 896520249 /nfs/dbraw/zinc/52/02/49/896520249.db2.gz XRLFYCCBHMUMOI-WMZHIEFXSA-N 2 2 424.976 4.087 20 30 HIEDLP C=CC[NH+]1CCC([NH2+]Cc2cn(-c3ccc(Br)cc3)nc2C(C)C)CC1 ZINC000482782103 898390858 /nfs/dbraw/zinc/39/08/58/898390858.db2.gz ORULIVQMEQXQIM-UHFFFAOYSA-N 2 2 417.395 4.498 20 30 HIEDLP CC[N@@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000490394147 903979481 /nfs/dbraw/zinc/97/94/81/903979481.db2.gz BOIHADUKAZEYNB-UHFFFAOYSA-N 2 2 414.557 4.092 20 30 HIEDLP CC[N@H+](Cc1cn(C)nc1-c1ccc(C#N)cc1)CC1CCN(c2cccc[nH+]2)CC1 ZINC000490394147 903979492 /nfs/dbraw/zinc/97/94/92/903979492.db2.gz BOIHADUKAZEYNB-UHFFFAOYSA-N 2 2 414.557 4.092 20 30 HIEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000491227274 904491191 /nfs/dbraw/zinc/49/11/91/904491191.db2.gz AZURVCONDFJIFB-CJFMBICVSA-N 2 2 413.569 4.444 20 30 HIEDLP C[C@@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000491227274 904491209 /nfs/dbraw/zinc/49/12/09/904491209.db2.gz AZURVCONDFJIFB-CJFMBICVSA-N 2 2 413.569 4.444 20 30 HIEDLP C[C@@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000491227274 904491224 /nfs/dbraw/zinc/49/12/24/904491224.db2.gz AZURVCONDFJIFB-CJFMBICVSA-N 2 2 413.569 4.444 20 30 HIEDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000491227274 904491241 /nfs/dbraw/zinc/49/12/41/904491241.db2.gz AZURVCONDFJIFB-CJFMBICVSA-N 2 2 413.569 4.444 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCN(c4ccc(Cl)c(F)c4)C3)CC2)cc1 ZINC000537307135 933707662 /nfs/dbraw/zinc/70/76/62/933707662.db2.gz LSHXWOILCPONLS-FQEVSTJZSA-N 2 2 412.940 4.184 20 30 HIEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000538398397 938611246 /nfs/dbraw/zinc/61/12/46/938611246.db2.gz ORKKWTMAGBXNGT-SFHVURJKSA-N 2 2 417.557 4.157 20 30 HIEDLP CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539457636 938863539 /nfs/dbraw/zinc/86/35/39/938863539.db2.gz GNDYVJKMZWZTSP-NHCUHLMSSA-N 2 2 417.985 4.013 20 30 HIEDLP CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539457636 938863540 /nfs/dbraw/zinc/86/35/40/938863540.db2.gz GNDYVJKMZWZTSP-NHCUHLMSSA-N 2 2 417.985 4.013 20 30 HIEDLP CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539457637 938863593 /nfs/dbraw/zinc/86/35/93/938863593.db2.gz GNDYVJKMZWZTSP-RTWAWAEBSA-N 2 2 417.985 4.013 20 30 HIEDLP CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539457637 938863594 /nfs/dbraw/zinc/86/35/94/938863594.db2.gz GNDYVJKMZWZTSP-RTWAWAEBSA-N 2 2 417.985 4.013 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccc(F)c(Br)c3)CC2)cc1 ZINC000540592473 939313436 /nfs/dbraw/zinc/31/34/36/939313436.db2.gz SYWKHCXZYNXKPL-UHFFFAOYSA-N 2 2 416.338 4.257 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000541202445 939485395 /nfs/dbraw/zinc/48/53/95/939485395.db2.gz KLVSXXATYYAVQY-LJQANCHMSA-N 2 2 400.592 4.040 20 30 HIEDLP N#Cc1cccc(C[NH+](Cc2cccc(C#N)c2)C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000047045521 848977117 /nfs/dbraw/zinc/97/71/17/848977117.db2.gz PRAOPDGKLNMIKE-UHFFFAOYSA-N 2 2 407.521 4.496 20 30 HIEDLP COc1ccc(NC(=[NH2+])NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000303873234 855263551 /nfs/dbraw/zinc/26/35/51/855263551.db2.gz CJFIFYNWYPOITC-OAQYLSRUSA-N 2 2 406.555 4.283 20 30 HIEDLP COc1ccc(NC(=[NH2+])NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1 ZINC000303873234 855263563 /nfs/dbraw/zinc/26/35/63/855263563.db2.gz CJFIFYNWYPOITC-OAQYLSRUSA-N 2 2 406.555 4.283 20 30 HIEDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000464769793 878012961 /nfs/dbraw/zinc/01/29/61/878012961.db2.gz AIKRVYLILFIDOC-HSZRJFAPSA-N 2 2 407.558 4.310 20 30 HIEDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000464769793 878012973 /nfs/dbraw/zinc/01/29/73/878012973.db2.gz AIKRVYLILFIDOC-HSZRJFAPSA-N 2 2 407.558 4.310 20 30 HIEDLP Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(C#N)c1C ZINC000478044613 893183863 /nfs/dbraw/zinc/18/38/63/893183863.db2.gz GXRLQUZFZUDDGU-WMZOPIPTSA-N 2 2 400.567 4.072 20 30 HIEDLP Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c(C#N)c1C ZINC000478044613 893183878 /nfs/dbraw/zinc/18/38/78/893183878.db2.gz GXRLQUZFZUDDGU-WMZOPIPTSA-N 2 2 400.567 4.072 20 30 HIEDLP CC(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000479976768 895329997 /nfs/dbraw/zinc/32/99/97/895329997.db2.gz GONSAAVTLZLCTR-VWLOTQADSA-N 2 2 413.569 4.131 20 30 HIEDLP CC(C)[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1)[N@H+]1CCc2ccccc2C1 ZINC000479976768 895330016 /nfs/dbraw/zinc/33/00/16/895330016.db2.gz GONSAAVTLZLCTR-VWLOTQADSA-N 2 2 413.569 4.131 20 30 HIEDLP CC[N@@H+](Cc1ccc(C#N)cc1Br)CC1CCN(c2cccc[nH+]2)CC1 ZINC000481045302 896369775 /nfs/dbraw/zinc/36/97/75/896369775.db2.gz YNEXXARMZFIOQR-UHFFFAOYSA-N 2 2 413.363 4.454 20 30 HIEDLP CC[N@H+](Cc1ccc(C#N)cc1Br)CC1CCN(c2cccc[nH+]2)CC1 ZINC000481045302 896369788 /nfs/dbraw/zinc/36/97/88/896369788.db2.gz YNEXXARMZFIOQR-UHFFFAOYSA-N 2 2 413.363 4.454 20 30 HIEDLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000532584801 931542819 /nfs/dbraw/zinc/54/28/19/931542819.db2.gz RNPDRGMMZORAPN-QHCPKHFHSA-N 2 2 405.542 4.064 20 30 HIEDLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000532584801 931542825 /nfs/dbraw/zinc/54/28/25/931542825.db2.gz RNPDRGMMZORAPN-QHCPKHFHSA-N 2 2 405.542 4.064 20 30 HIEDLP C=CC[NH+](CC=C)[C@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(C)C ZINC000534599307 932586029 /nfs/dbraw/zinc/58/60/29/932586029.db2.gz YXLLIZWKCCWQLX-HSZRJFAPSA-N 2 2 419.573 4.422 20 30 HIEDLP Cc1cc(F)ccc1N1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000537288700 933699976 /nfs/dbraw/zinc/69/99/76/933699976.db2.gz PFPPRHZMHZFBRB-DEOSSOPVSA-N 2 2 406.549 4.229 20 30 HIEDLP Cc1cc(C)n(-c2ccc(CC[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)cc2)n1 ZINC000537296365 933702344 /nfs/dbraw/zinc/70/23/44/933702344.db2.gz ZDJMTHITAVDCQM-UHFFFAOYSA-N 2 2 413.569 4.158 20 30 HIEDLP CC(C)CC(=O)Nc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000537296770 933702685 /nfs/dbraw/zinc/70/26/85/933702685.db2.gz ZUSPVWPEOXZMNG-UHFFFAOYSA-N 2 2 404.558 4.297 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccc(NC(=O)C4CCC4)c3)CC2)cc1 ZINC000537297272 933703122 /nfs/dbraw/zinc/70/31/22/933703122.db2.gz SBZQEJYIVQBLAF-UHFFFAOYSA-N 2 2 402.542 4.051 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3cnc(SC4CCCC4)nc3)CC2)cc1 ZINC000563311644 945174582 /nfs/dbraw/zinc/17/45/82/945174582.db2.gz SZXQTOSAXWOYSG-UHFFFAOYSA-N 2 2 421.614 4.180 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCCN(c4ccccc4Cl)C3)CC2)cc1 ZINC000539494886 938868626 /nfs/dbraw/zinc/86/86/26/938868626.db2.gz TZSHJDFEKJMACR-JOCHJYFZSA-N 2 2 408.977 4.435 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(N4CCCCCC4)nc3)CC2)cc1 ZINC000540597634 939315347 /nfs/dbraw/zinc/31/53/47/939315347.db2.gz QNXDOFMRXNGHKP-UHFFFAOYSA-N 2 2 403.574 4.088 20 30 HIEDLP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1[nH+]ccc3ccc(C#N)cc31)CC2 ZINC001164840478 720684051 /nfs/dbraw/zinc/68/40/51/720684051.db2.gz FEPNBWPWEWOCFW-QHCPKHFHSA-N 2 2 412.537 4.366 20 30 HIEDLP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1[nH+]ccc3ccc(C#N)cc31)CC2 ZINC001164840478 720684054 /nfs/dbraw/zinc/68/40/54/720684054.db2.gz FEPNBWPWEWOCFW-QHCPKHFHSA-N 2 2 412.537 4.366 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437107 912445194 /nfs/dbraw/zinc/44/51/94/912445194.db2.gz WWYMYJYRQIKIKZ-RBUKOAKNSA-N 2 2 412.603 4.064 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437107 912445204 /nfs/dbraw/zinc/44/52/04/912445204.db2.gz WWYMYJYRQIKIKZ-RBUKOAKNSA-N 2 2 412.603 4.064 20 30 HIEDLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000478047406 893192247 /nfs/dbraw/zinc/19/22/47/893192247.db2.gz QJHLXKKPJRWJIN-IBGZPJMESA-N 2 2 414.619 4.217 20 30 HIEDLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000478047406 893192272 /nfs/dbraw/zinc/19/22/72/893192272.db2.gz QJHLXKKPJRWJIN-IBGZPJMESA-N 2 2 414.619 4.217 20 30 HIEDLP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)CC1 ZINC000480877475 896236715 /nfs/dbraw/zinc/23/67/15/896236715.db2.gz WFDDTWBPEZJMNQ-INIZCTEOSA-N 2 2 400.929 4.343 20 30 HIEDLP C[C@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000512637499 921270317 /nfs/dbraw/zinc/27/03/17/921270317.db2.gz WKDPODDTSAIDDZ-HNNXBMFYSA-N 2 2 420.454 4.319 20 30 HIEDLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(OC[C@H]2CCOC2)c1 ZINC000539496177 938868484 /nfs/dbraw/zinc/86/84/84/938868484.db2.gz LJZWXVWIAVWCMQ-QHCPKHFHSA-N 2 2 419.569 4.036 20 30 HIEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000539498404 938868808 /nfs/dbraw/zinc/86/88/08/938868808.db2.gz OIZXBCGEAUUZHE-LJQANCHMSA-N 2 2 402.542 4.000 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(OCc4ccccn4)cc3)CC2)cc1 ZINC000540597317 939315423 /nfs/dbraw/zinc/31/54/23/939315423.db2.gz LZGDTXVNVBGFMJ-UHFFFAOYSA-N 2 2 412.537 4.286 20 30 HIEDLP Cc1sc(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(C#N)c1C ZINC000549164187 941167551 /nfs/dbraw/zinc/16/75/51/941167551.db2.gz FHBLHSHYZHITJR-FQEVSTJZSA-N 2 2 410.587 4.065 20 30 HIEDLP Cc1sc(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(C#N)c1C ZINC000549164187 941167552 /nfs/dbraw/zinc/16/75/52/941167552.db2.gz FHBLHSHYZHITJR-FQEVSTJZSA-N 2 2 410.587 4.065 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cc(Br)ccc3F)CC2)cc1 ZINC000549866514 941220356 /nfs/dbraw/zinc/22/03/56/941220356.db2.gz OJIAFFKADHGLOM-UHFFFAOYSA-N 2 2 402.311 4.214 20 30 HIEDLP CC(C)OC(=O)C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccccc1 ZINC000554879610 942306040 /nfs/dbraw/zinc/30/60/40/942306040.db2.gz XDJACBIUFTWZCB-XMMPIXPASA-N 2 2 405.542 4.195 20 30 HIEDLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000556896952 942956880 /nfs/dbraw/zinc/95/68/80/942956880.db2.gz IBSVLHDTLFHPJZ-DMTNHVFBSA-N 2 2 403.570 4.464 20 30 HIEDLP C=CC[NH+]1CCC([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)CC1 ZINC000236732074 853917168 /nfs/dbraw/zinc/91/71/68/853917168.db2.gz QYPJJFKPQCDZOI-UHFFFAOYSA-N 2 2 416.363 4.163 20 30 HIEDLP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)cc1 ZINC000303873231 855263400 /nfs/dbraw/zinc/26/34/00/855263400.db2.gz CJFIFYNWYPOITC-NRFANRHFSA-N 2 2 406.555 4.283 20 30 HIEDLP COc1ccc(NC(=[NH2+])NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)cc1 ZINC000303873231 855263408 /nfs/dbraw/zinc/26/34/08/855263408.db2.gz CJFIFYNWYPOITC-NRFANRHFSA-N 2 2 406.555 4.283 20 30 HIEDLP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1c[nH+]cn1Cc1ccccc1 ZINC000437602446 862916154 /nfs/dbraw/zinc/91/61/54/862916154.db2.gz MTFLWTOLMWSDII-UHFFFAOYSA-N 2 2 422.602 4.030 20 30 HIEDLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000478047408 893191319 /nfs/dbraw/zinc/19/13/19/893191319.db2.gz QJHLXKKPJRWJIN-LJQANCHMSA-N 2 2 414.619 4.217 20 30 HIEDLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2ccccc2SCC#N)CC1 ZINC000478047408 893191343 /nfs/dbraw/zinc/19/13/43/893191343.db2.gz QJHLXKKPJRWJIN-LJQANCHMSA-N 2 2 414.619 4.217 20 30 HIEDLP CN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534195242 932325146 /nfs/dbraw/zinc/32/51/46/932325146.db2.gz DTHKZCSPYYOQNZ-NHCUHLMSSA-N 2 2 417.985 4.013 20 30 HIEDLP CN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534195242 932325155 /nfs/dbraw/zinc/32/51/55/932325155.db2.gz DTHKZCSPYYOQNZ-NHCUHLMSSA-N 2 2 417.985 4.013 20 30 HIEDLP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1)CC(C)C ZINC000539098541 938802810 /nfs/dbraw/zinc/80/28/10/938802810.db2.gz UBUDYQVAKDXUMG-GOSISDBHSA-N 2 2 402.583 4.175 20 30 HIEDLP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1)CC(C)C ZINC000539098541 938802811 /nfs/dbraw/zinc/80/28/11/938802811.db2.gz UBUDYQVAKDXUMG-GOSISDBHSA-N 2 2 402.583 4.175 20 30 HIEDLP COc1ccc(Cl)cc1N1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000539496299 938868523 /nfs/dbraw/zinc/86/85/23/938868523.db2.gz GNKJRLZTHHBKMX-QFIPXVFZSA-N 2 2 424.976 4.053 20 30 HIEDLP C[C@H]1C[C@H](CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000539509079 938870697 /nfs/dbraw/zinc/87/06/97/938870697.db2.gz SRLILKPBRZGVMG-NVQXNPDNSA-N 3 2 416.613 4.413 20 30 HIEDLP C[C@H]1C[C@H](CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000539509079 938870698 /nfs/dbraw/zinc/87/06/98/938870698.db2.gz SRLILKPBRZGVMG-NVQXNPDNSA-N 3 2 416.613 4.413 20 30 HIEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(C)C ZINC000544231848 940362292 /nfs/dbraw/zinc/36/22/92/940362292.db2.gz WFVMEFCVOHAWFQ-GGAORHGYSA-N 2 2 412.622 4.308 20 30 HIEDLP CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000556896953 942956501 /nfs/dbraw/zinc/95/65/01/942956501.db2.gz IBSVLHDTLFHPJZ-LGPLSSKUSA-N 2 2 403.570 4.464 20 30 HIEDLP C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430920841 858370812 /nfs/dbraw/zinc/37/08/12/858370812.db2.gz QLPFHWMFOYLIDF-UHFFFAOYSA-N 3 2 421.551 4.185 20 30 HIEDLP C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430920841 858370818 /nfs/dbraw/zinc/37/08/18/858370818.db2.gz QLPFHWMFOYLIDF-UHFFFAOYSA-N 3 2 421.551 4.185 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434678759 860456301 /nfs/dbraw/zinc/45/63/01/860456301.db2.gz KJPNKISEFDNTQO-GOSISDBHSA-N 2 2 412.603 4.064 20 30 HIEDLP COc1ccccc1[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)OC(C)C ZINC000463272669 876331119 /nfs/dbraw/zinc/33/11/19/876331119.db2.gz SFTYDCRPRWYBDU-RUZDIDTESA-N 2 2 407.558 4.287 20 30 HIEDLP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000478056592 893212080 /nfs/dbraw/zinc/21/20/80/893212080.db2.gz HMGSECGYBVMIMQ-QGZVFWFLSA-N 2 2 402.970 4.127 20 30 HIEDLP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000478056592 893212093 /nfs/dbraw/zinc/21/20/93/893212093.db2.gz HMGSECGYBVMIMQ-QGZVFWFLSA-N 2 2 402.970 4.127 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481183397 896526963 /nfs/dbraw/zinc/52/69/63/896526963.db2.gz RUFXQZWZXVREOV-ZRCGQRJVSA-N 2 2 411.615 4.151 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481183397 896526989 /nfs/dbraw/zinc/52/69/89/896526989.db2.gz RUFXQZWZXVREOV-ZRCGQRJVSA-N 2 2 411.615 4.151 20 30 HIEDLP N#Cc1c(NC(=O)CC[NH+]2CCC(Nc3cccc[nH+]3)CC2)sc2c1CCCCC2 ZINC000534127485 932292140 /nfs/dbraw/zinc/29/21/40/932292140.db2.gz CQCIAKSRWWTPHX-UHFFFAOYSA-N 2 2 423.586 4.189 20 30 HIEDLP CN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534195240 932325212 /nfs/dbraw/zinc/32/52/12/932325212.db2.gz DTHKZCSPYYOQNZ-LEWJYISDSA-N 2 2 417.985 4.013 20 30 HIEDLP CN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534195240 932325218 /nfs/dbraw/zinc/32/52/18/932325218.db2.gz DTHKZCSPYYOQNZ-LEWJYISDSA-N 2 2 417.985 4.013 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3OCC(F)(F)F)CC2)cc1 ZINC000538397577 938610476 /nfs/dbraw/zinc/61/04/76/938610476.db2.gz NPWJWIHMCBJNKN-UHFFFAOYSA-N 2 2 403.448 4.254 20 30 HIEDLP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1)CC(C)C ZINC000539098542 938802757 /nfs/dbraw/zinc/80/27/57/938802757.db2.gz UBUDYQVAKDXUMG-SFHVURJKSA-N 2 2 402.583 4.175 20 30 HIEDLP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2oc(C)c(C)c2C#N)CC1)CC(C)C ZINC000539098542 938802758 /nfs/dbraw/zinc/80/27/58/938802758.db2.gz UBUDYQVAKDXUMG-SFHVURJKSA-N 2 2 402.583 4.175 20 30 HIEDLP CC[N@@H+](Cc1ccc(Br)cc1C#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000553883350 941989853 /nfs/dbraw/zinc/98/98/53/941989853.db2.gz CFLMSQDLCNCMHW-UHFFFAOYSA-N 2 2 413.363 4.454 20 30 HIEDLP CC[N@H+](Cc1ccc(Br)cc1C#N)CC1CCN(c2cccc[nH+]2)CC1 ZINC000553883350 941989858 /nfs/dbraw/zinc/98/98/58/941989858.db2.gz CFLMSQDLCNCMHW-UHFFFAOYSA-N 2 2 413.363 4.454 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434678760 860455785 /nfs/dbraw/zinc/45/57/85/860455785.db2.gz KJPNKISEFDNTQO-SFHVURJKSA-N 2 2 412.603 4.064 20 30 HIEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@H](C)C(=O)N(CCC#N)c2ccccc2)c(C)c1 ZINC000441364163 866431804 /nfs/dbraw/zinc/43/18/04/866431804.db2.gz LRDDVFLHTYMVTC-QPPBQGQZSA-N 2 2 415.541 4.166 20 30 HIEDLP COc1cc(Br)ccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000463281143 876338057 /nfs/dbraw/zinc/33/80/57/876338057.db2.gz KGAGLYKZSNCPMT-UHFFFAOYSA-N 2 2 414.347 4.084 20 30 HIEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481169831 896504180 /nfs/dbraw/zinc/50/41/80/896504180.db2.gz GHUMOXXCFPELLU-RDGATRHJSA-N 2 2 418.585 4.050 20 30 HIEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481169831 896504194 /nfs/dbraw/zinc/50/41/94/896504194.db2.gz GHUMOXXCFPELLU-RDGATRHJSA-N 2 2 418.585 4.050 20 30 HIEDLP Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000481174516 896509725 /nfs/dbraw/zinc/50/97/25/896509725.db2.gz HSIYBPWJQMOZHS-XUZZJYLKSA-N 2 2 418.585 4.050 20 30 HIEDLP Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000481174516 896509735 /nfs/dbraw/zinc/50/97/35/896509735.db2.gz HSIYBPWJQMOZHS-XUZZJYLKSA-N 2 2 418.585 4.050 20 30 HIEDLP Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000495419241 906439369 /nfs/dbraw/zinc/43/93/69/906439369.db2.gz AHIGEDTXKYAXBX-HNNXBMFYSA-N 2 2 419.495 4.249 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCNc3ccc(C(F)(F)F)cn3)CC2)cc1 ZINC000537294584 933701173 /nfs/dbraw/zinc/70/11/73/933701173.db2.gz CRTISVDUJGDADV-UHFFFAOYSA-N 2 2 417.479 4.028 20 30 HIEDLP CCOc1c(Cl)cc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000539498133 938868805 /nfs/dbraw/zinc/86/88/05/938868805.db2.gz GPVAEWQDWKYQNP-UHFFFAOYSA-N 2 2 413.949 4.373 20 30 HIEDLP C=CCOc1c(Br)cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OCC ZINC000561983071 944885245 /nfs/dbraw/zinc/88/52/45/944885245.db2.gz NAODBZXCGVAMIF-MAUKXSAKSA-N 2 2 411.384 4.185 20 30 HIEDLP C=CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OCC ZINC000561983071 944885248 /nfs/dbraw/zinc/88/52/48/944885248.db2.gz NAODBZXCGVAMIF-MAUKXSAKSA-N 2 2 411.384 4.185 20 30 HIEDLP C=CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OCC ZINC000561983071 944885255 /nfs/dbraw/zinc/88/52/55/944885255.db2.gz NAODBZXCGVAMIF-MAUKXSAKSA-N 2 2 411.384 4.185 20 30 HIEDLP C=CCOc1c(Br)cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OCC ZINC000561983071 944885256 /nfs/dbraw/zinc/88/52/56/944885256.db2.gz NAODBZXCGVAMIF-MAUKXSAKSA-N 2 2 411.384 4.185 20 30 HIEDLP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1[nH+]ccc3ccc(C#N)cc31)CC2 ZINC001164840472 720684024 /nfs/dbraw/zinc/68/40/24/720684024.db2.gz FEPNBWPWEWOCFW-HSZRJFAPSA-N 2 2 412.537 4.366 20 30 HIEDLP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1[nH+]ccc3ccc(C#N)cc31)CC2 ZINC001164840472 720684032 /nfs/dbraw/zinc/68/40/32/720684032.db2.gz FEPNBWPWEWOCFW-HSZRJFAPSA-N 2 2 412.537 4.366 20 30 HIEDLP N#Cc1ccc2cc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164908505 721699496 /nfs/dbraw/zinc/69/94/96/721699496.db2.gz ZOTXHCBNSQLZKW-HSZRJFAPSA-N 2 2 419.479 4.239 20 30 HIEDLP N#Cc1ccc2cc[nH+]c(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)c2c1 ZINC001164908505 721699499 /nfs/dbraw/zinc/69/94/99/721699499.db2.gz ZOTXHCBNSQLZKW-HSZRJFAPSA-N 2 2 419.479 4.239 20 30 HIEDLP C=CC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)CC1 ZINC000236567944 853898537 /nfs/dbraw/zinc/89/85/37/853898537.db2.gz MUMJQOSYEATGGL-UHFFFAOYSA-N 2 2 420.307 4.357 20 30 HIEDLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)CC1 ZINC000462913052 875938428 /nfs/dbraw/zinc/93/84/28/875938428.db2.gz YSGONFOSXOSOOG-IBGZPJMESA-N 2 2 405.542 4.293 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841078 878109567 /nfs/dbraw/zinc/10/95/67/878109567.db2.gz WFIUVVBNQVSCCY-UNMCSNQZSA-N 2 2 411.615 4.105 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000464841078 878109570 /nfs/dbraw/zinc/10/95/70/878109570.db2.gz WFIUVVBNQVSCCY-UNMCSNQZSA-N 2 2 411.615 4.105 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000464841078 878109572 /nfs/dbraw/zinc/10/95/72/878109572.db2.gz WFIUVVBNQVSCCY-UNMCSNQZSA-N 2 2 411.615 4.105 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000464841078 878109574 /nfs/dbraw/zinc/10/95/74/878109574.db2.gz WFIUVVBNQVSCCY-UNMCSNQZSA-N 2 2 411.615 4.105 20 30 HIEDLP C=CCOc1c(Br)cc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1OC ZINC000475574387 890504523 /nfs/dbraw/zinc/50/45/23/890504523.db2.gz WDAJWFWXEHGZEU-UHFFFAOYSA-N 2 2 409.368 4.129 20 30 HIEDLP COCCCOc1cc(C)ccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000537293122 933700815 /nfs/dbraw/zinc/70/08/15/933700815.db2.gz IONGRRZVQDAYTO-UHFFFAOYSA-N 2 2 407.558 4.036 20 30 HIEDLP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000539496298 938868630 /nfs/dbraw/zinc/86/86/30/938868630.db2.gz GNKJRLZTHHBKMX-JOCHJYFZSA-N 2 2 424.976 4.053 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOc3ccccc3C(F)(F)F)CC2)cc1 ZINC000539508891 938870938 /nfs/dbraw/zinc/87/09/38/938870938.db2.gz BTOUPMPUAHMQAH-UHFFFAOYSA-N 2 2 403.448 4.210 20 30 HIEDLP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000548931913 941130607 /nfs/dbraw/zinc/13/06/07/941130607.db2.gz HUIUVPHDEMMWQI-NRFANRHFSA-N 2 2 410.949 4.040 20 30 HIEDLP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1C#N ZINC000548931913 941130608 /nfs/dbraw/zinc/13/06/08/941130608.db2.gz HUIUVPHDEMMWQI-NRFANRHFSA-N 2 2 410.949 4.040 20 30 HIEDLP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4[nH+]ccc5ccc(C#N)cc54)CC3)C2)cc1 ZINC001164939763 721925075 /nfs/dbraw/zinc/92/50/75/721925075.db2.gz MUEQENUJDWMRJE-UHFFFAOYSA-N 2 2 412.537 4.286 20 30 HIEDLP Cc1ccc(C[N@H+]2CCOC3(CCN(c4[nH+]ccc5ccc(C#N)cc54)CC3)C2)cc1 ZINC001164939763 721925077 /nfs/dbraw/zinc/92/50/77/721925077.db2.gz MUEQENUJDWMRJE-UHFFFAOYSA-N 2 2 412.537 4.286 20 30 HIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2c(C)nn(-c3ccc(Br)cc3)c2C)CC1 ZINC000236690849 853912459 /nfs/dbraw/zinc/91/24/59/853912459.db2.gz DZWCBVJNAOLESO-UHFFFAOYSA-N 2 2 417.395 4.382 20 30 HIEDLP Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000481174518 896509503 /nfs/dbraw/zinc/50/95/03/896509503.db2.gz HSIYBPWJQMOZHS-ZJSXRUAMSA-N 2 2 418.585 4.050 20 30 HIEDLP Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1C ZINC000481174518 896509515 /nfs/dbraw/zinc/50/95/15/896509515.db2.gz HSIYBPWJQMOZHS-ZJSXRUAMSA-N 2 2 418.585 4.050 20 30 HIEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481185843 896532838 /nfs/dbraw/zinc/53/28/38/896532838.db2.gz UWVGAVZGJMKEGG-JLHGSKIFSA-N 2 2 410.949 4.039 20 30 HIEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481185843 896532852 /nfs/dbraw/zinc/53/28/52/896532852.db2.gz UWVGAVZGJMKEGG-JLHGSKIFSA-N 2 2 410.949 4.039 20 30 HIEDLP N#CC1(c2ccccc2)CCC([NH2+]CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000507652575 916414402 /nfs/dbraw/zinc/41/44/02/916414402.db2.gz IZSDPCUFAANXPX-UHFFFAOYSA-N 2 2 402.586 4.192 20 30 HIEDLP COc1ccc(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1OCCCC#N ZINC000513509289 921856797 /nfs/dbraw/zinc/85/67/97/921856797.db2.gz QPYHDJXMFYLDOS-UHFFFAOYSA-N 2 2 407.558 4.474 20 30 HIEDLP COc1ccc(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)cc1OCCCC#N ZINC000513509289 921856801 /nfs/dbraw/zinc/85/68/01/921856801.db2.gz QPYHDJXMFYLDOS-UHFFFAOYSA-N 2 2 407.558 4.474 20 30 HIEDLP C[N@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000518848685 927552222 /nfs/dbraw/zinc/55/22/22/927552222.db2.gz UGYRYDREWOUAKR-UHFFFAOYSA-N 2 2 402.464 4.111 20 30 HIEDLP C[N@@H+](Cc1ccc(C#N)cc1C(F)(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000518848685 927552226 /nfs/dbraw/zinc/55/22/26/927552226.db2.gz UGYRYDREWOUAKR-UHFFFAOYSA-N 2 2 402.464 4.111 20 30 HIEDLP CC[N@H+](Cc1ccc(OC)c(C#N)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532747074 931621086 /nfs/dbraw/zinc/62/10/86/931621086.db2.gz QPGVUCXBQPJNAW-UHFFFAOYSA-N 2 2 407.562 4.280 20 30 HIEDLP CC[N@@H+](Cc1ccc(OC)c(C#N)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532747074 931621090 /nfs/dbraw/zinc/62/10/90/931621090.db2.gz QPGVUCXBQPJNAW-UHFFFAOYSA-N 2 2 407.562 4.280 20 30 HIEDLP Cc1ccc(-c2nc(CC[NH2+]C3CC[NH+](Cc4ccc(C#N)cc4)CC3)co2)cc1 ZINC000538395617 938610519 /nfs/dbraw/zinc/61/05/19/938610519.db2.gz QUIRUTKWBKBIDR-UHFFFAOYSA-N 2 2 400.526 4.318 20 30 HIEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000538398396 938611368 /nfs/dbraw/zinc/61/13/68/938611368.db2.gz ORKKWTMAGBXNGT-GOSISDBHSA-N 2 2 417.557 4.157 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000538407493 938613376 /nfs/dbraw/zinc/61/33/76/938613376.db2.gz CRCJTUOBCONDCU-UHFFFAOYSA-N 2 2 421.932 4.058 20 30 HIEDLP CC(C)[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000539498796 938869231 /nfs/dbraw/zinc/86/92/31/938869231.db2.gz YQFFVXIVRUCUMP-VWLOTQADSA-N 2 2 405.542 4.281 20 30 HIEDLP COc1ccc(C[C@@H](C)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000539508195 938870334 /nfs/dbraw/zinc/87/03/34/938870334.db2.gz UWACEPLQAYYPEG-LJQANCHMSA-N 2 2 407.558 4.008 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCC[C@H]3Oc3cc(F)cc(F)c3)CC2)cc1 ZINC000552089647 941583050 /nfs/dbraw/zinc/58/30/50/941583050.db2.gz QOHZLCCNIOEOBU-BJKOFHAPSA-N 2 2 411.496 4.391 20 30 HIEDLP C[C@]1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCC[N@@H+]1Cc1ccccc1 ZINC000433321704 859639509 /nfs/dbraw/zinc/63/95/09/859639509.db2.gz OGOIRBVHWABBFZ-RUZDIDTESA-N 2 2 414.557 4.003 20 30 HIEDLP C[C@]1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCC[N@H+]1Cc1ccccc1 ZINC000433321704 859639518 /nfs/dbraw/zinc/63/95/18/859639518.db2.gz OGOIRBVHWABBFZ-RUZDIDTESA-N 2 2 414.557 4.003 20 30 HIEDLP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2OCc2ccc(C(=O)OC)cc2)CC1 ZINC000438204023 863633774 /nfs/dbraw/zinc/63/37/74/863633774.db2.gz UOQSYKHDKRJYCY-UHFFFAOYSA-N 2 2 408.542 4.182 20 30 HIEDLP C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488327465 902766612 /nfs/dbraw/zinc/76/66/12/902766612.db2.gz SXEIIAHAEXXHBN-KRWDZBQOSA-N 2 2 414.619 4.023 20 30 HIEDLP C[C@@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC([NH+]4CCCCC4)CC3)sc2C1 ZINC000507712379 916506725 /nfs/dbraw/zinc/50/67/25/916506725.db2.gz BFKOOXZGUOWRKV-QGZVFWFLSA-N 2 2 414.619 4.023 20 30 HIEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000508620372 917388198 /nfs/dbraw/zinc/38/81/98/917388198.db2.gz JGAJAIXNLRFIAR-QFIPXVFZSA-N 2 2 400.526 4.325 20 30 HIEDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc(OCc3cccc(C#N)c3)c2)C1 ZINC000508620372 917388212 /nfs/dbraw/zinc/38/82/12/917388212.db2.gz JGAJAIXNLRFIAR-QFIPXVFZSA-N 2 2 400.526 4.325 20 30 HIEDLP COc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccncc3)CC2)cc1OCCCC#N ZINC000533359787 931848162 /nfs/dbraw/zinc/84/81/62/931848162.db2.gz CVZKIDUFDRBXEJ-IBGZPJMESA-N 2 2 408.546 4.088 20 30 HIEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(C)C ZINC000534599308 932585463 /nfs/dbraw/zinc/58/54/63/932585463.db2.gz YXLLIZWKCCWQLX-QHCPKHFHSA-N 2 2 419.573 4.422 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3cc(Br)ccc3F)CC2)cc1 ZINC000538398301 938611323 /nfs/dbraw/zinc/61/13/23/938611323.db2.gz GXSCFWBQOMUADS-UHFFFAOYSA-N 2 2 416.338 4.257 20 30 HIEDLP CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539457635 938863496 /nfs/dbraw/zinc/86/34/96/938863496.db2.gz GNDYVJKMZWZTSP-LEWJYISDSA-N 2 2 417.985 4.013 20 30 HIEDLP CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539457635 938863497 /nfs/dbraw/zinc/86/34/97/938863497.db2.gz GNDYVJKMZWZTSP-LEWJYISDSA-N 2 2 417.985 4.013 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccc(NC(=O)C4CCCC4)c3)CC2)cc1 ZINC000539498279 938868905 /nfs/dbraw/zinc/86/89/05/938868905.db2.gz BYPJUJCCDTXPMA-UHFFFAOYSA-N 2 2 416.569 4.441 20 30 HIEDLP COc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C(F)(F)F)c1 ZINC000540594626 939314198 /nfs/dbraw/zinc/31/41/98/939314198.db2.gz COGKZBVDDCFJKL-UHFFFAOYSA-N 2 2 403.448 4.340 20 30 HIEDLP Cc1ccccc1C1(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)CCOCC1 ZINC000540596598 939315263 /nfs/dbraw/zinc/31/52/63/939315263.db2.gz CWYXBWGILJYHQU-UHFFFAOYSA-N 2 2 403.570 4.169 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@@H]3c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000540605560 939317702 /nfs/dbraw/zinc/31/77/02/939317702.db2.gz AYIPPYGWUCKXBZ-DHIUTWEWSA-N 2 2 413.924 4.435 20 30 HIEDLP C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(C)C ZINC000544231849 940362124 /nfs/dbraw/zinc/36/21/24/940362124.db2.gz WFVMEFCVOHAWFQ-GMAHTHKFSA-N 2 2 412.622 4.308 20 30 HIEDLP C=CC[NH+]1CCC(Nc2nc(C[NH+](C)C)nc3scc(-c4ccccc4)c32)CC1 ZINC000301186127 854323165 /nfs/dbraw/zinc/32/31/65/854323165.db2.gz SFBXFPQIIXVSRC-UHFFFAOYSA-N 2 2 407.587 4.482 20 30 HIEDLP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000303703592 855141715 /nfs/dbraw/zinc/14/17/15/855141715.db2.gz JPCVWUHFECVLSN-IBGZPJMESA-N 2 2 400.523 4.031 20 30 HIEDLP N#CCCn1cc(C(=O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c2ccccc21 ZINC000434684426 860459348 /nfs/dbraw/zinc/45/93/48/860459348.db2.gz IMMSCVMVTNYWPL-UHFFFAOYSA-N 2 2 415.541 4.150 20 30 HIEDLP Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c(C#N)c1C ZINC000478044607 893184022 /nfs/dbraw/zinc/18/40/22/893184022.db2.gz GXRLQUZFZUDDGU-AEFFLSMTSA-N 2 2 400.567 4.072 20 30 HIEDLP Cc1oc(NC(=O)[C@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c(C#N)c1C ZINC000478044607 893184042 /nfs/dbraw/zinc/18/40/42/893184042.db2.gz GXRLQUZFZUDDGU-AEFFLSMTSA-N 2 2 400.567 4.072 20 30 HIEDLP Cc1sc(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)c(C#N)c1C ZINC000478052027 893199893 /nfs/dbraw/zinc/19/98/93/893199893.db2.gz FCMVGDMSGFWOGY-INIZCTEOSA-N 2 2 402.608 4.152 20 30 HIEDLP Cc1sc(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(C#N)c1C ZINC000478052027 893199917 /nfs/dbraw/zinc/19/99/17/893199917.db2.gz FCMVGDMSGFWOGY-INIZCTEOSA-N 2 2 402.608 4.152 20 30 HIEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481185375 896529243 /nfs/dbraw/zinc/52/92/43/896529243.db2.gz UWVGAVZGJMKEGG-HYFFOGBASA-N 2 2 410.949 4.039 20 30 HIEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481185375 896529254 /nfs/dbraw/zinc/52/92/54/896529254.db2.gz UWVGAVZGJMKEGG-HYFFOGBASA-N 2 2 410.949 4.039 20 30 HIEDLP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481185844 896533404 /nfs/dbraw/zinc/53/34/04/896533404.db2.gz UWVGAVZGJMKEGG-PNLZDCPESA-N 2 2 410.949 4.039 20 30 HIEDLP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481185844 896533421 /nfs/dbraw/zinc/53/34/21/896533421.db2.gz UWVGAVZGJMKEGG-PNLZDCPESA-N 2 2 410.949 4.039 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@H]3CCN(c4ccc(F)c(Cl)c4)C3)CC2)cc1 ZINC000495167484 906281248 /nfs/dbraw/zinc/28/12/48/906281248.db2.gz PZYDPNVQGNXHGZ-FQEVSTJZSA-N 2 2 412.940 4.184 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCN(c4ccc(F)c(Cl)c4)C3)CC2)cc1 ZINC000495167485 906282082 /nfs/dbraw/zinc/28/20/82/906282082.db2.gz PZYDPNVQGNXHGZ-HXUWFJFHSA-N 2 2 412.940 4.184 20 30 HIEDLP CN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000534195243 932325405 /nfs/dbraw/zinc/32/54/05/932325405.db2.gz DTHKZCSPYYOQNZ-RTWAWAEBSA-N 2 2 417.985 4.013 20 30 HIEDLP CN(C(=O)Nc1ccc(C#N)c(Cl)c1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000534195243 932325412 /nfs/dbraw/zinc/32/54/12/932325412.db2.gz DTHKZCSPYYOQNZ-RTWAWAEBSA-N 2 2 417.985 4.013 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCN(Cc4ccc(F)c(F)c4)CC3)CC2)cc1 ZINC000537294186 933701192 /nfs/dbraw/zinc/70/11/92/933701192.db2.gz AJFLCXGTHLSWBZ-UHFFFAOYSA-N 2 2 424.539 4.055 20 30 HIEDLP Cc1cnc(C2CC[NH+](CC#CC[NH+]3CCC(c4ncc(C)s4)CC3)CC2)s1 ZINC000556529519 942892997 /nfs/dbraw/zinc/89/29/97/942892997.db2.gz BTPGRRABLRFBFC-UHFFFAOYSA-N 2 2 414.644 4.279 20 30 HIEDLP C[N@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427018984 856598189 /nfs/dbraw/zinc/59/81/89/856598189.db2.gz FVPXYKIGKMKGGS-UHFFFAOYSA-N 2 2 401.476 4.091 20 30 HIEDLP C[N@@H+](CC#Cc1ccc(C(F)(F)F)cc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427018984 856598195 /nfs/dbraw/zinc/59/81/95/856598195.db2.gz FVPXYKIGKMKGGS-UHFFFAOYSA-N 2 2 401.476 4.091 20 30 HIEDLP CC[N@@H+](Cc1ccc(C#N)cc1OC(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000437909583 863284220 /nfs/dbraw/zinc/28/42/20/863284220.db2.gz YSNHUARHWYMFPM-UHFFFAOYSA-N 2 2 400.473 4.293 20 30 HIEDLP CC[N@H+](Cc1ccc(C#N)cc1OC(F)F)CC1CCN(c2cccc[nH+]2)CC1 ZINC000437909583 863284233 /nfs/dbraw/zinc/28/42/33/863284233.db2.gz YSNHUARHWYMFPM-UHFFFAOYSA-N 2 2 400.473 4.293 20 30 HIEDLP Cc1ccc([C@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c(C)c1 ZINC000441380706 866452329 /nfs/dbraw/zinc/45/23/29/866452329.db2.gz RBZUDVNGLGOORX-JTSKRJEESA-N 2 2 421.932 4.383 20 30 HIEDLP FC(F)(F)Oc1ccc(C#CC[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503413092 912398375 /nfs/dbraw/zinc/39/83/75/912398375.db2.gz RVODMEGUQCPVOR-SFHVURJKSA-N 2 2 403.448 4.349 20 30 HIEDLP FC(F)(F)Oc1ccc(C#CC[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000503413092 912398394 /nfs/dbraw/zinc/39/83/94/912398394.db2.gz RVODMEGUQCPVOR-SFHVURJKSA-N 2 2 403.448 4.349 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481183393 896526848 /nfs/dbraw/zinc/52/68/48/896526848.db2.gz RUFXQZWZXVREOV-QTEQDKRBSA-N 2 2 411.615 4.151 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481183393 896526872 /nfs/dbraw/zinc/52/68/72/896526872.db2.gz RUFXQZWZXVREOV-QTEQDKRBSA-N 2 2 411.615 4.151 20 30 HIEDLP COc1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccncc3)CC2)cc1OCCCC#N ZINC000533359788 931848405 /nfs/dbraw/zinc/84/84/05/931848405.db2.gz CVZKIDUFDRBXEJ-LJQANCHMSA-N 2 2 408.546 4.088 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3ccc(Br)s3)CC2)cc1 ZINC000537296062 933702578 /nfs/dbraw/zinc/70/25/78/933702578.db2.gz SBWOMSVZJXXJQJ-UHFFFAOYSA-N 2 2 404.377 4.179 20 30 HIEDLP COc1ccc(Br)cc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000538406762 938613022 /nfs/dbraw/zinc/61/30/22/938613022.db2.gz TWFKSWHDMIHOAQ-UHFFFAOYSA-N 2 2 414.347 4.084 20 30 HIEDLP COc1ccc(C(C)(C)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000540595333 939314009 /nfs/dbraw/zinc/31/40/09/939314009.db2.gz ZKDJGLSTNJAITI-UHFFFAOYSA-N 2 2 407.558 4.107 20 30 HIEDLP CN1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000540606744 939318297 /nfs/dbraw/zinc/31/82/97/939318297.db2.gz RYAGWEQFSSKWQY-DNQXCXABSA-N 2 2 408.977 4.211 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3C[NH+]3CCCCC3)CC2)cc1 ZINC000542859518 939863686 /nfs/dbraw/zinc/86/36/86/939863686.db2.gz VVPUWGWSHKGWPH-UHFFFAOYSA-N 3 2 402.586 4.298 20 30 HIEDLP N#CC1(CCC[NH2+][C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCOCC1 ZINC000549164199 941167559 /nfs/dbraw/zinc/16/75/59/941167559.db2.gz BGASRXLMEPMQBE-LOSJGSFVSA-N 2 2 403.570 4.345 20 30 HIEDLP N#CC1(CCC[NH2+][C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)CCOCC1 ZINC000549164199 941167560 /nfs/dbraw/zinc/16/75/60/941167560.db2.gz BGASRXLMEPMQBE-LOSJGSFVSA-N 2 2 403.570 4.345 20 30 HIEDLP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000303703593 855142027 /nfs/dbraw/zinc/14/20/27/855142027.db2.gz JPCVWUHFECVLSN-LJQANCHMSA-N 2 2 400.523 4.031 20 30 HIEDLP Cc1c[nH+]ccc1OC1CC[NH+](CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 ZINC000429727292 857852399 /nfs/dbraw/zinc/85/23/99/857852399.db2.gz WLMUEDZDQIICBG-UHFFFAOYSA-N 2 2 424.570 4.074 20 30 HIEDLP Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c(C#N)c1C ZINC000478044611 893185671 /nfs/dbraw/zinc/18/56/71/893185671.db2.gz GXRLQUZFZUDDGU-SJLPKXTDSA-N 2 2 400.567 4.072 20 30 HIEDLP Cc1oc(NC(=O)[C@@H](C)[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c(C#N)c1C ZINC000478044611 893185690 /nfs/dbraw/zinc/18/56/90/893185690.db2.gz GXRLQUZFZUDDGU-SJLPKXTDSA-N 2 2 400.567 4.072 20 30 HIEDLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1OCCCC#N ZINC000502327779 911305199 /nfs/dbraw/zinc/30/51/99/911305199.db2.gz SCSMRRKHZUFYLP-HXUWFJFHSA-N 2 2 408.546 4.290 20 30 HIEDLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1OCCCC#N ZINC000502327779 911305216 /nfs/dbraw/zinc/30/52/16/911305216.db2.gz SCSMRRKHZUFYLP-HXUWFJFHSA-N 2 2 408.546 4.290 20 30 HIEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726079 928059973 /nfs/dbraw/zinc/05/99/73/928059973.db2.gz QTOGXSCVEIJGHG-LEWJYISDSA-N 2 2 424.614 4.146 20 30 HIEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726079 928059988 /nfs/dbraw/zinc/05/99/88/928059988.db2.gz QTOGXSCVEIJGHG-LEWJYISDSA-N 2 2 424.614 4.146 20 30 HIEDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726079 928060008 /nfs/dbraw/zinc/06/00/08/928060008.db2.gz QTOGXSCVEIJGHG-LEWJYISDSA-N 2 2 424.614 4.146 20 30 HIEDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726079 928060024 /nfs/dbraw/zinc/06/00/24/928060024.db2.gz QTOGXSCVEIJGHG-LEWJYISDSA-N 2 2 424.614 4.146 20 30 HIEDLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(OC[C@H]2CCCO2)c1 ZINC000540594789 939314051 /nfs/dbraw/zinc/31/40/51/939314051.db2.gz OKVOOGQXGZXUJX-RUZDIDTESA-N 2 2 419.569 4.179 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cccc(COCC(F)(F)F)c3)CC2)cc1 ZINC000540605726 939317661 /nfs/dbraw/zinc/31/76/61/939317661.db2.gz IZZPHZNFEBIMJS-UHFFFAOYSA-N 2 2 417.475 4.391 20 30 HIEDLP Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c1 ZINC000541201943 939485393 /nfs/dbraw/zinc/48/53/93/939485393.db2.gz CVFXUJGKXZKRKV-QFIPXVFZSA-N 2 2 421.589 4.328 20 30 HIEDLP CC[C@H](C)C(=O)Nc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000542860963 939863690 /nfs/dbraw/zinc/86/36/90/939863690.db2.gz ZIROHUBRRZPDDC-IBGZPJMESA-N 2 2 404.558 4.297 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437105 912446541 /nfs/dbraw/zinc/44/65/41/912446541.db2.gz WWYMYJYRQIKIKZ-OALUTQOASA-N 2 2 412.603 4.064 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000503437105 912446564 /nfs/dbraw/zinc/44/65/64/912446564.db2.gz WWYMYJYRQIKIKZ-OALUTQOASA-N 2 2 412.603 4.064 20 30 HIEDLP C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481183952 896531032 /nfs/dbraw/zinc/53/10/32/896531032.db2.gz SRUSBLZIEGABDT-CTNGQTDRSA-N 2 2 409.599 4.403 20 30 HIEDLP C=CCSc1ccccc1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481183952 896531043 /nfs/dbraw/zinc/53/10/43/896531043.db2.gz SRUSBLZIEGABDT-CTNGQTDRSA-N 2 2 409.599 4.403 20 30 HIEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000491227275 904490392 /nfs/dbraw/zinc/49/03/92/904490392.db2.gz AZURVCONDFJIFB-CPJSRVTESA-N 2 2 413.569 4.444 20 30 HIEDLP C[C@H]1C[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000491227275 904490397 /nfs/dbraw/zinc/49/03/97/904490397.db2.gz AZURVCONDFJIFB-CPJSRVTESA-N 2 2 413.569 4.444 20 30 HIEDLP C[C@H]1C[C@@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000491227275 904490405 /nfs/dbraw/zinc/49/04/05/904490405.db2.gz AZURVCONDFJIFB-CPJSRVTESA-N 2 2 413.569 4.444 20 30 HIEDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000491227275 904490418 /nfs/dbraw/zinc/49/04/18/904490418.db2.gz AZURVCONDFJIFB-CPJSRVTESA-N 2 2 413.569 4.444 20 30 HIEDLP Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000495419242 906439663 /nfs/dbraw/zinc/43/96/63/906439663.db2.gz AHIGEDTXKYAXBX-OAHLLOKOSA-N 2 2 419.495 4.249 20 30 HIEDLP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)c1ccc(C#N)cc1F ZINC000512637500 921270364 /nfs/dbraw/zinc/27/03/64/921270364.db2.gz WKDPODDTSAIDDZ-OAHLLOKOSA-N 2 2 420.454 4.319 20 30 HIEDLP CC[NH+](CC(O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497766591 907259359 /nfs/dbraw/zinc/25/93/59/907259359.db2.gz FNKHGKLVVFVXOA-PMACEKPBSA-N 2 2 404.558 4.257 20 30 HIEDLP CC[NH+](CC(O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497766591 907259378 /nfs/dbraw/zinc/25/93/78/907259378.db2.gz FNKHGKLVVFVXOA-PMACEKPBSA-N 2 2 404.558 4.257 20 30 HIEDLP CC[NH+](C[C@@H](O)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497766588 907259546 /nfs/dbraw/zinc/25/95/46/907259546.db2.gz FNKHGKLVVFVXOA-FZWXVRBQSA-N 2 2 404.558 4.257 20 30 HIEDLP CC[NH+](C[C@@H](O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1)[C@@H](C)c1ccc(C#N)cc1 ZINC000497766588 907259570 /nfs/dbraw/zinc/25/95/70/907259570.db2.gz FNKHGKLVVFVXOA-FZWXVRBQSA-N 2 2 404.558 4.257 20 30 HIEDLP CC[NH+](C[C@H](O)C[N@H+](CC)[C@@H](C)c1ccc(C#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497766588 907259577 /nfs/dbraw/zinc/25/95/77/907259577.db2.gz FNKHGKLVVFVXOA-FZWXVRBQSA-N 2 2 404.558 4.257 20 30 HIEDLP CC[NH+](C[C@H](O)C[N@@H+](CC)[C@@H](C)c1ccc(C#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497766588 907259603 /nfs/dbraw/zinc/25/96/03/907259603.db2.gz FNKHGKLVVFVXOA-FZWXVRBQSA-N 2 2 404.558 4.257 20 30 HIEDLP CC[NH+](CC(O)C[N@@H+](CC)[C@H](C)c1ccc(C#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497766592 907259828 /nfs/dbraw/zinc/25/98/28/907259828.db2.gz FNKHGKLVVFVXOA-WOJBJXKFSA-N 2 2 404.558 4.257 20 30 HIEDLP CC[NH+](CC(O)C[N@H+](CC)[C@H](C)c1ccc(C#N)cc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497766592 907259835 /nfs/dbraw/zinc/25/98/35/907259835.db2.gz FNKHGKLVVFVXOA-WOJBJXKFSA-N 2 2 404.558 4.257 20 30 HIEDLP N#CCCn1cc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(-c2ccccc2)n1 ZINC000502328587 911303948 /nfs/dbraw/zinc/30/39/48/911303948.db2.gz WHXKHGMZIXKJIF-NRFANRHFSA-N 2 2 414.557 4.376 20 30 HIEDLP N#CCCn1cc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(-c2ccccc2)n1 ZINC000502328587 911303961 /nfs/dbraw/zinc/30/39/61/911303961.db2.gz WHXKHGMZIXKJIF-NRFANRHFSA-N 2 2 414.557 4.376 20 30 HIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000532230963 931364574 /nfs/dbraw/zinc/36/45/74/931364574.db2.gz POVJKBFHWQADRK-ZDUSSCGKSA-N 2 2 403.876 4.316 20 30 HIEDLP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C1 ZINC000537288701 933699462 /nfs/dbraw/zinc/69/94/62/933699462.db2.gz PFPPRHZMHZFBRB-XMMPIXPASA-N 2 2 406.549 4.229 20 30 HIEDLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000539497747 938868903 /nfs/dbraw/zinc/86/89/03/938868903.db2.gz UZZAIXYZSDYRIA-GOSISDBHSA-N 2 2 402.542 4.222 20 30 HIEDLP C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544425116 940424356 /nfs/dbraw/zinc/42/43/56/940424356.db2.gz OLBUTHPDGLFMLO-IAGOWNOFSA-N 2 2 414.619 4.070 20 30 HIEDLP C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544425116 940424359 /nfs/dbraw/zinc/42/43/59/940424359.db2.gz OLBUTHPDGLFMLO-IAGOWNOFSA-N 2 2 414.619 4.070 20 30 HIEDLP CSc1ccc([C@@H](CNC2CC[NH+](Cc3ccc(C#N)cc3)CC2)[NH+](C)C)cc1 ZINC000555643315 942685784 /nfs/dbraw/zinc/68/57/84/942685784.db2.gz HSOSACHROPQSOG-XMMPIXPASA-N 2 2 408.615 4.137 20 30 HIEDLP N#Cc1ccc(C[NH+](Cc2ccc(C#N)cc2)C2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000047045491 848976967 /nfs/dbraw/zinc/97/69/67/848976967.db2.gz AHCVDZYKHHIQKZ-UHFFFAOYSA-N 2 2 407.521 4.496 20 30 HIEDLP COc1ccc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)cc1OCCCC#N ZINC000237358465 854013889 /nfs/dbraw/zinc/01/38/89/854013889.db2.gz HCOCRESKWSAHBG-UHFFFAOYSA-N 2 2 422.573 4.202 20 30 HIEDLP N#CCCn1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3)c(F)c2)c(-c2ccccc2)n1 ZINC000237853254 854108613 /nfs/dbraw/zinc/10/86/13/854108613.db2.gz RVUYZXDZLKJIKV-UHFFFAOYSA-N 2 2 400.461 4.078 20 30 HIEDLP C[C@@]1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCC[N@@H+]1Cc1ccccc1 ZINC000433321705 859638796 /nfs/dbraw/zinc/63/87/96/859638796.db2.gz OGOIRBVHWABBFZ-VWLOTQADSA-N 2 2 414.557 4.003 20 30 HIEDLP C[C@@]1(C[NH2+]Cc2cn(CCC#N)nc2-c2ccncc2)CCC[N@H+]1Cc1ccccc1 ZINC000433321705 859638799 /nfs/dbraw/zinc/63/87/99/859638799.db2.gz OGOIRBVHWABBFZ-VWLOTQADSA-N 2 2 414.557 4.003 20 30 HIEDLP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481185373 896530479 /nfs/dbraw/zinc/53/04/79/896530479.db2.gz UWVGAVZGJMKEGG-HOIFWPIMSA-N 2 2 410.949 4.039 20 30 HIEDLP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000481185373 896530503 /nfs/dbraw/zinc/53/05/03/896530503.db2.gz UWVGAVZGJMKEGG-HOIFWPIMSA-N 2 2 410.949 4.039 20 30 HIEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726105 928060504 /nfs/dbraw/zinc/06/05/04/928060504.db2.gz QTOGXSCVEIJGHG-RTWAWAEBSA-N 2 2 424.614 4.146 20 30 HIEDLP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726105 928060519 /nfs/dbraw/zinc/06/05/19/928060519.db2.gz QTOGXSCVEIJGHG-RTWAWAEBSA-N 2 2 424.614 4.146 20 30 HIEDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726105 928060534 /nfs/dbraw/zinc/06/05/34/928060534.db2.gz QTOGXSCVEIJGHG-RTWAWAEBSA-N 2 2 424.614 4.146 20 30 HIEDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726105 928060547 /nfs/dbraw/zinc/06/05/47/928060547.db2.gz QTOGXSCVEIJGHG-RTWAWAEBSA-N 2 2 424.614 4.146 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cc(F)cc(Br)c3)CC2)cc1 ZINC000537295204 933702192 /nfs/dbraw/zinc/70/21/92/933702192.db2.gz KHVYGJBRZGEZOR-UHFFFAOYSA-N 2 2 402.311 4.214 20 30 HIEDLP Cc1cc(C[C@H](C)[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)n(-c2ccccc2)n1 ZINC000539510518 938871070 /nfs/dbraw/zinc/87/10/70/938871070.db2.gz FPVSXIGPHPVDHX-FQEVSTJZSA-N 2 2 413.569 4.238 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H](c3ccc4c(c3)OCCO4)C3CC3)CC2)cc1 ZINC000540591097 939312863 /nfs/dbraw/zinc/31/28/63/939312863.db2.gz GLYDHRRMJXEUKG-RUZDIDTESA-N 2 2 403.526 4.035 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(COCC(F)(F)F)cc3)CC2)cc1 ZINC000540597497 939314951 /nfs/dbraw/zinc/31/49/51/939314951.db2.gz SVJFWXBRCJBPSN-UHFFFAOYSA-N 2 2 417.475 4.391 20 30 HIEDLP N#CCCn1cc(C[NH+]2CCC(CCCn3cc[nH+]c3)CC2)c(-c2ccccc2)n1 ZINC000558422996 943556181 /nfs/dbraw/zinc/55/61/81/943556181.db2.gz ZQEHEQKOKLPKKB-UHFFFAOYSA-N 2 2 402.546 4.353 20 30 HIEDLP COc1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OCc1cccc(C#N)c1 ZINC000431608896 858687498 /nfs/dbraw/zinc/68/74/98/858687498.db2.gz LMVXSOIOICYXEZ-HSZRJFAPSA-N 2 2 415.493 4.194 20 30 HIEDLP COc1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)ccc1OCc1cccc(C#N)c1 ZINC000431608896 858687501 /nfs/dbraw/zinc/68/75/01/858687501.db2.gz LMVXSOIOICYXEZ-HSZRJFAPSA-N 2 2 415.493 4.194 20 30 HIEDLP Cc1sc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C#N)c1C ZINC000433129428 859532001 /nfs/dbraw/zinc/53/20/01/859532001.db2.gz ZJRUOJNQNHCIBY-UHFFFAOYSA-N 2 2 422.598 4.163 20 30 HIEDLP Cc1sc(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C#N)c1C ZINC000433129428 859532011 /nfs/dbraw/zinc/53/20/11/859532011.db2.gz ZJRUOJNQNHCIBY-UHFFFAOYSA-N 2 2 422.598 4.163 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)CC2)cc1 ZINC000540605562 939317289 /nfs/dbraw/zinc/31/72/89/939317289.db2.gz AYIPPYGWUCKXBZ-PKTZIBPZSA-N 2 2 413.924 4.435 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCc3nc(-c4ccncc4)cs3)CC2)cc1 ZINC000540607431 939318016 /nfs/dbraw/zinc/31/80/16/939318016.db2.gz TVSCKOALTTUZJO-UHFFFAOYSA-N 2 2 417.582 4.264 20 30 HIEDLP C=C(C)COc1cc(C[NH2+]C2CCN(c3ccc([NH+](C)C)cc3)CC2)ccc1OC ZINC000237358385 854013427 /nfs/dbraw/zinc/01/34/27/854013427.db2.gz FSRMAXYVICTYSE-UHFFFAOYSA-N 2 2 409.574 4.475 20 30 HIEDLP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000303616031 855079324 /nfs/dbraw/zinc/07/93/24/855079324.db2.gz ZTOOKNXXBNBLCY-UHFFFAOYSA-N 2 2 416.635 4.271 20 30 HIEDLP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 ZINC000303616031 855079330 /nfs/dbraw/zinc/07/93/30/855079330.db2.gz ZTOOKNXXBNBLCY-UHFFFAOYSA-N 2 2 416.635 4.271 20 30 HIEDLP C=C(C)COc1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000428546605 857256905 /nfs/dbraw/zinc/25/69/05/857256905.db2.gz KYRLEMGUNLGKIE-QHCPKHFHSA-N 2 2 410.558 4.031 20 30 HIEDLP C=C(C)COc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)ccc1OC ZINC000428546605 857256917 /nfs/dbraw/zinc/25/69/17/857256917.db2.gz KYRLEMGUNLGKIE-QHCPKHFHSA-N 2 2 410.558 4.031 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C[C@]3(Cc4ccc(F)cc4)CCC[C@@H]3O)CC2)cc1 ZINC000463235111 876289752 /nfs/dbraw/zinc/28/97/52/876289752.db2.gz GGFXUSYDTOWHBK-IZZNHLLZSA-N 2 2 421.560 4.025 20 30 HIEDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000464769797 878013490 /nfs/dbraw/zinc/01/34/90/878013490.db2.gz AIKRVYLILFIDOC-QHCPKHFHSA-N 2 2 407.558 4.310 20 30 HIEDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3cccc(C#N)c3)c(OC)c2)C1 ZINC000464769797 878013507 /nfs/dbraw/zinc/01/35/07/878013507.db2.gz AIKRVYLILFIDOC-QHCPKHFHSA-N 2 2 407.558 4.310 20 30 HIEDLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OCc1cccc(C#N)c1 ZINC000471181243 885746028 /nfs/dbraw/zinc/74/60/28/885746028.db2.gz KRUNMVYXFHIMFQ-NRFANRHFSA-N 2 2 402.498 4.249 20 30 HIEDLP COc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1OCc1cccc(C#N)c1 ZINC000471181243 885746041 /nfs/dbraw/zinc/74/60/41/885746041.db2.gz KRUNMVYXFHIMFQ-NRFANRHFSA-N 2 2 402.498 4.249 20 30 HIEDLP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000481180729 896521570 /nfs/dbraw/zinc/52/15/70/896521570.db2.gz XRLFYCCBHMUMOI-AUSIDOKSSA-N 2 2 424.976 4.087 20 30 HIEDLP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000481180729 896521582 /nfs/dbraw/zinc/52/15/82/896521582.db2.gz XRLFYCCBHMUMOI-AUSIDOKSSA-N 2 2 424.976 4.087 20 30 HIEDLP C[C@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000533038633 931748578 /nfs/dbraw/zinc/74/85/78/931748578.db2.gz GARNMSLUDNRBHS-HXUWFJFHSA-N 2 2 414.557 4.174 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(COC4CCOCC4)cc3)CC2)cc1 ZINC000539507378 938870445 /nfs/dbraw/zinc/87/04/45/938870445.db2.gz MCNFAQBQOQGESS-UHFFFAOYSA-N 2 2 419.569 4.008 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCCOc3cccc4cccnc43)CC2)cc1 ZINC000539508874 938870744 /nfs/dbraw/zinc/87/07/44/938870744.db2.gz AXYBCRJDTZFRDW-UHFFFAOYSA-N 2 2 400.526 4.130 20 30 HIEDLP C[NH+](C)C1CCN(c2ccc(NC3CCC(C#N)(c4ccccc4)CC3)[nH+]c2)CC1 ZINC000540626254 939323210 /nfs/dbraw/zinc/32/32/10/939323210.db2.gz VEGRSYADGYZWNX-UHFFFAOYSA-N 2 2 403.574 4.428 20 30 HIEDLP C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544425120 940424004 /nfs/dbraw/zinc/42/40/04/940424004.db2.gz OLBUTHPDGLFMLO-SJORKVTESA-N 2 2 414.619 4.070 20 30 HIEDLP C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544425120 940424008 /nfs/dbraw/zinc/42/40/08/940424008.db2.gz OLBUTHPDGLFMLO-SJORKVTESA-N 2 2 414.619 4.070 20 30 HIEDLP Cc1sc(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c(C#N)c1C ZINC000549164192 941167465 /nfs/dbraw/zinc/16/74/65/941167465.db2.gz FHBLHSHYZHITJR-HXUWFJFHSA-N 2 2 410.587 4.065 20 30 HIEDLP Cc1sc(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c(C#N)c1C ZINC000549164192 941167468 /nfs/dbraw/zinc/16/74/68/941167468.db2.gz FHBLHSHYZHITJR-HXUWFJFHSA-N 2 2 410.587 4.065 20 30 HIEDLP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000444190502 868658880 /nfs/dbraw/zinc/65/88/80/868658880.db2.gz HKEPRNVGCRGWAL-XMMPIXPASA-N 2 2 419.569 4.454 20 30 HIEDLP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000444190502 868658885 /nfs/dbraw/zinc/65/88/85/868658885.db2.gz HKEPRNVGCRGWAL-XMMPIXPASA-N 2 2 419.569 4.454 20 30 HIEDLP COc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1OCc1cccc(C#N)c1 ZINC000467151039 880888985 /nfs/dbraw/zinc/88/89/85/880888985.db2.gz VNCJSXJPWUIYKB-UHFFFAOYSA-N 2 2 402.498 4.249 20 30 HIEDLP COc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000470958145 885455240 /nfs/dbraw/zinc/45/52/40/885455240.db2.gz GRIGTTWSMXDMMG-XMMPIXPASA-N 2 2 419.569 4.310 20 30 HIEDLP COc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000470958145 885455249 /nfs/dbraw/zinc/45/52/49/885455249.db2.gz GRIGTTWSMXDMMG-XMMPIXPASA-N 2 2 419.569 4.310 20 30 HIEDLP COc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000470958145 885455257 /nfs/dbraw/zinc/45/52/57/885455257.db2.gz GRIGTTWSMXDMMG-XMMPIXPASA-N 2 2 419.569 4.310 20 30 HIEDLP COc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)ccc1OCc1cccc(C#N)c1 ZINC000470958145 885455267 /nfs/dbraw/zinc/45/52/67/885455267.db2.gz GRIGTTWSMXDMMG-XMMPIXPASA-N 2 2 419.569 4.310 20 30 HIEDLP C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183954 896529731 /nfs/dbraw/zinc/52/97/31/896529731.db2.gz SRUSBLZIEGABDT-PZJWPPBQSA-N 2 2 409.599 4.403 20 30 HIEDLP C=CCSc1ccccc1NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183954 896529761 /nfs/dbraw/zinc/52/97/61/896529761.db2.gz SRUSBLZIEGABDT-PZJWPPBQSA-N 2 2 409.599 4.403 20 30 HIEDLP C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488327468 902766439 /nfs/dbraw/zinc/76/64/39/902766439.db2.gz SXEIIAHAEXXHBN-QGZVFWFLSA-N 2 2 414.619 4.023 20 30 HIEDLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1OCCCC#N ZINC000502327778 911304244 /nfs/dbraw/zinc/30/42/44/911304244.db2.gz SCSMRRKHZUFYLP-FQEVSTJZSA-N 2 2 408.546 4.290 20 30 HIEDLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1OCCCC#N ZINC000502327778 911304266 /nfs/dbraw/zinc/30/42/66/911304266.db2.gz SCSMRRKHZUFYLP-FQEVSTJZSA-N 2 2 408.546 4.290 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(OC4CCCCC4)nc3)CC2)cc1 ZINC000537293515 933700824 /nfs/dbraw/zinc/70/08/24/933700824.db2.gz VNZHCALFDHNCCW-UHFFFAOYSA-N 2 2 404.558 4.419 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(OCC(F)(F)F)cc3)CC2)cc1 ZINC000537296397 933702097 /nfs/dbraw/zinc/70/20/97/933702097.db2.gz AIDOMLCKQRVKFT-UHFFFAOYSA-N 2 2 403.448 4.254 20 30 HIEDLP CCOc1cc(CCC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1OC ZINC000538393881 938610159 /nfs/dbraw/zinc/61/01/59/938610159.db2.gz UJQPUDUKCQWQOJ-UHFFFAOYSA-N 2 2 407.558 4.152 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3cc(Cl)c4c(c3)OCCCO4)CC2)cc1 ZINC000538394015 938610162 /nfs/dbraw/zinc/61/01/62/938610162.db2.gz LIEVPKQDUCHRSH-UHFFFAOYSA-N 2 2 411.933 4.127 20 30 HIEDLP CCOc1cc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)ccc1OC(F)F ZINC000538397543 938610711 /nfs/dbraw/zinc/61/07/11/938610711.db2.gz MEHQSCYGCWZLCI-UHFFFAOYSA-N 2 2 415.484 4.313 20 30 HIEDLP CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000539457638 938863468 /nfs/dbraw/zinc/86/34/68/938863468.db2.gz GNDYVJKMZWZTSP-SFTDATJTSA-N 2 2 417.985 4.013 20 30 HIEDLP CN(C(=O)Nc1ccc(C#N)cc1Cl)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000539457638 938863469 /nfs/dbraw/zinc/86/34/69/938863469.db2.gz GNDYVJKMZWZTSP-SFTDATJTSA-N 2 2 417.985 4.013 20 30 HIEDLP CCOCCOc1cc(C)ccc1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000539496502 938868490 /nfs/dbraw/zinc/86/84/90/938868490.db2.gz ILHWRJLNXAUTGP-UHFFFAOYSA-N 2 2 407.558 4.036 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000539496783 938868923 /nfs/dbraw/zinc/86/89/23/938868923.db2.gz UUNUPKNOYIGTPV-UHFFFAOYSA-N 2 2 403.448 4.210 20 30 HIEDLP CC(C)[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC000539498795 938869275 /nfs/dbraw/zinc/86/92/75/938869275.db2.gz YQFFVXIVRUCUMP-RUZDIDTESA-N 2 2 405.542 4.281 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3CC[NH+](Cc4cccs4)CC3)CC2)cc1 ZINC000540596424 939315500 /nfs/dbraw/zinc/31/55/00/939315500.db2.gz VAAOMQZZYCLPJY-UHFFFAOYSA-N 3 2 408.615 4.086 20 30 HIEDLP CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c1 ZINC000542860964 939863653 /nfs/dbraw/zinc/86/36/53/939863653.db2.gz ZIROHUBRRZPDDC-LJQANCHMSA-N 2 2 404.558 4.297 20 30 HIEDLP Cc1ccc([C@@H](Cn2cc[nH+]c2)[NH2+][C@@H](C)C(=O)N(CCC#N)c2ccccc2)c(C)c1 ZINC000441364165 866432508 /nfs/dbraw/zinc/43/25/08/866432508.db2.gz LRDDVFLHTYMVTC-XUZZJYLKSA-N 2 2 415.541 4.166 20 30 HIEDLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OCc1cccc(C#N)c1 ZINC000471181249 885746086 /nfs/dbraw/zinc/74/60/86/885746086.db2.gz KRUNMVYXFHIMFQ-OAQYLSRUSA-N 2 2 402.498 4.249 20 30 HIEDLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1OCc1cccc(C#N)c1 ZINC000471181249 885746103 /nfs/dbraw/zinc/74/61/03/885746103.db2.gz KRUNMVYXFHIMFQ-OAQYLSRUSA-N 2 2 402.498 4.249 20 30 HIEDLP Cc1sc(NC(=O)C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)c(C#N)c1C ZINC000478052028 893201263 /nfs/dbraw/zinc/20/12/63/893201263.db2.gz FCMVGDMSGFWOGY-MRXNPFEDSA-N 2 2 402.608 4.152 20 30 HIEDLP Cc1sc(NC(=O)C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c(C#N)c1C ZINC000478052028 893201281 /nfs/dbraw/zinc/20/12/81/893201281.db2.gz FCMVGDMSGFWOGY-MRXNPFEDSA-N 2 2 402.608 4.152 20 30 HIEDLP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000481180730 896521764 /nfs/dbraw/zinc/52/17/64/896521764.db2.gz XRLFYCCBHMUMOI-CVDCTZTESA-N 2 2 424.976 4.087 20 30 HIEDLP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(CCC#N)c1cccc(Cl)c1 ZINC000481180730 896521786 /nfs/dbraw/zinc/52/17/86/896521786.db2.gz XRLFYCCBHMUMOI-CVDCTZTESA-N 2 2 424.976 4.087 20 30 HIEDLP C=CCOc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534205431 932330762 /nfs/dbraw/zinc/33/07/62/932330762.db2.gz FVFAOXLJPUPZBU-DHIUTWEWSA-N 2 2 414.594 4.052 20 30 HIEDLP C=CCOc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000534205431 932330766 /nfs/dbraw/zinc/33/07/66/932330766.db2.gz FVFAOXLJPUPZBU-DHIUTWEWSA-N 2 2 414.594 4.052 20 30 HIEDLP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC000537297609 933703329 /nfs/dbraw/zinc/70/33/29/933703329.db2.gz YUUOJPPTNBXJLA-UHFFFAOYSA-N 2 2 413.569 4.174 20 30 HIEDLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1cccc(N2CCCC2=O)c1 ZINC000539498403 938868857 /nfs/dbraw/zinc/86/88/57/938868857.db2.gz OIZXBCGEAUUZHE-IBGZPJMESA-N 2 2 402.542 4.000 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3nc(-c4cccc(Cl)c4)no3)CC2)cc1 ZINC000540608410 939318675 /nfs/dbraw/zinc/31/86/75/939318675.db2.gz YPYBOVDDAUWRJP-UHFFFAOYSA-N 2 2 421.932 4.058 20 30 HIEDLP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1OCc1cccc(C#N)c1 ZINC000550238351 941302601 /nfs/dbraw/zinc/30/26/01/941302601.db2.gz BRRZGSMEMSEUHP-VWLOTQADSA-N 2 2 405.542 4.064 20 30 HIEDLP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1OCc1cccc(C#N)c1 ZINC000550238351 941302602 /nfs/dbraw/zinc/30/26/02/941302602.db2.gz BRRZGSMEMSEUHP-VWLOTQADSA-N 2 2 405.542 4.064 20 30 HIEDLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1OCc1cccc(C#N)c1 ZINC000550238351 941302603 /nfs/dbraw/zinc/30/26/03/941302603.db2.gz BRRZGSMEMSEUHP-VWLOTQADSA-N 2 2 405.542 4.064 20 30 HIEDLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1OCc1cccc(C#N)c1 ZINC000550238351 941302604 /nfs/dbraw/zinc/30/26/04/941302604.db2.gz BRRZGSMEMSEUHP-VWLOTQADSA-N 2 2 405.542 4.064 20 30 HIEDLP C=CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1OCC ZINC000561983073 944885861 /nfs/dbraw/zinc/88/58/61/944885861.db2.gz NAODBZXCGVAMIF-QAPCUYQASA-N 2 2 411.384 4.185 20 30 HIEDLP C=CCOc1c(Br)cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OCC ZINC000561983073 944885848 /nfs/dbraw/zinc/88/58/48/944885848.db2.gz NAODBZXCGVAMIF-QAPCUYQASA-N 2 2 411.384 4.185 20 30 HIEDLP C=CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OCC ZINC000561983073 944885855 /nfs/dbraw/zinc/88/58/55/944885855.db2.gz NAODBZXCGVAMIF-QAPCUYQASA-N 2 2 411.384 4.185 20 30 HIEDLP C=CCOc1c(Br)cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1OCC ZINC000561983073 944885857 /nfs/dbraw/zinc/88/58/57/944885857.db2.gz NAODBZXCGVAMIF-QAPCUYQASA-N 2 2 411.384 4.185 20 30 HIEDLP C=CCOc1c(Br)cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1OC ZINC000512379319 921116433 /nfs/dbraw/zinc/11/64/33/921116433.db2.gz GLVZNWNUOYFPNS-UHFFFAOYSA-N 2 2 406.324 4.125 20 30 HIEDLP C=CCOc1c(Br)cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1OC ZINC000475138258 890004270 /nfs/dbraw/zinc/00/42/70/890004270.db2.gz MUATVPCANHHFNZ-UHFFFAOYSA-N 2 2 409.368 4.083 20 30 HIEDLP C=CCOc1c(Br)cc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1OC ZINC000475138258 890004289 /nfs/dbraw/zinc/00/42/89/890004289.db2.gz MUATVPCANHHFNZ-UHFFFAOYSA-N 2 2 409.368 4.083 20 30 HIEDLP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000478056590 893210695 /nfs/dbraw/zinc/21/06/95/893210695.db2.gz HMGSECGYBVMIMQ-KRWDZBQOSA-N 2 2 402.970 4.127 20 30 HIEDLP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C#N)CC1 ZINC000478056590 893210722 /nfs/dbraw/zinc/21/07/22/893210722.db2.gz HMGSECGYBVMIMQ-KRWDZBQOSA-N 2 2 402.970 4.127 20 30 HIEDLP Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000481174514 896508724 /nfs/dbraw/zinc/50/87/24/896508724.db2.gz HSIYBPWJQMOZHS-URXFXBBRSA-N 2 2 418.585 4.050 20 30 HIEDLP Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1C ZINC000481174514 896508741 /nfs/dbraw/zinc/50/87/41/896508741.db2.gz HSIYBPWJQMOZHS-URXFXBBRSA-N 2 2 418.585 4.050 20 30 HIEDLP C=C(C)COc1cc(C[N@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1OC ZINC000512364965 921106798 /nfs/dbraw/zinc/10/67/98/921106798.db2.gz PKAPGDTVUIWTAZ-UHFFFAOYSA-N 2 2 409.574 4.184 20 30 HIEDLP C=C(C)COc1cc(C[N@@H+](C)C2CC[NH+](CCc3ccccn3)CC2)ccc1OC ZINC000512364965 921106809 /nfs/dbraw/zinc/10/68/09/921106809.db2.gz PKAPGDTVUIWTAZ-UHFFFAOYSA-N 2 2 409.574 4.184 20 30 HIEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726094 928059362 /nfs/dbraw/zinc/05/93/62/928059362.db2.gz QTOGXSCVEIJGHG-NHCUHLMSSA-N 2 2 424.614 4.146 20 30 HIEDLP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726094 928059378 /nfs/dbraw/zinc/05/93/78/928059378.db2.gz QTOGXSCVEIJGHG-NHCUHLMSSA-N 2 2 424.614 4.146 20 30 HIEDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726094 928059390 /nfs/dbraw/zinc/05/93/90/928059390.db2.gz QTOGXSCVEIJGHG-NHCUHLMSSA-N 2 2 424.614 4.146 20 30 HIEDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H](C)C(=O)N(CCC#N)c3ccccc3)C2)s1 ZINC000519726094 928059394 /nfs/dbraw/zinc/05/93/94/928059394.db2.gz QTOGXSCVEIJGHG-NHCUHLMSSA-N 2 2 424.614 4.146 20 30 HIEDLP Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(OC[C@@H]2CCOC2)c1 ZINC000539496176 938868580 /nfs/dbraw/zinc/86/85/80/938868580.db2.gz LJZWXVWIAVWCMQ-HSZRJFAPSA-N 2 2 419.569 4.036 20 30 HIEDLP COc1ccc(C[C@H](C)C[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)cc1OC ZINC000539508194 938870429 /nfs/dbraw/zinc/87/04/29/938870429.db2.gz UWACEPLQAYYPEG-IBGZPJMESA-N 2 2 407.558 4.008 20 30 HIEDLP C[C@H]1C[C@@H](CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000539509077 938870795 /nfs/dbraw/zinc/87/07/95/938870795.db2.gz SRLILKPBRZGVMG-BKMJKUGQSA-N 3 2 416.613 4.413 20 30 HIEDLP C[C@H]1C[C@@H](CC[NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)C[N@H+]1Cc1ccccc1 ZINC000539509077 938870798 /nfs/dbraw/zinc/87/07/98/938870798.db2.gz SRLILKPBRZGVMG-BKMJKUGQSA-N 3 2 416.613 4.413 20 30 HIEDLP C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544425118 940423950 /nfs/dbraw/zinc/42/39/50/940423950.db2.gz OLBUTHPDGLFMLO-IRXDYDNUSA-N 2 2 414.619 4.070 20 30 HIEDLP C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544425118 940423955 /nfs/dbraw/zinc/42/39/55/940423955.db2.gz OLBUTHPDGLFMLO-IRXDYDNUSA-N 2 2 414.619 4.070 20 30 HIEDLP CC[N@H+](Cc1ccc(C#N)c(OC)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000442873872 867708955 /nfs/dbraw/zinc/70/89/55/867708955.db2.gz ADSOVJGTEJNKBN-UHFFFAOYSA-N 2 2 407.562 4.280 20 30 HIEDLP CC[N@@H+](Cc1ccc(C#N)c(OC)c1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000442873872 867708963 /nfs/dbraw/zinc/70/89/63/867708963.db2.gz ADSOVJGTEJNKBN-UHFFFAOYSA-N 2 2 407.562 4.280 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CC3(CCOCc4ccccc4)CC3)CC2)cc1 ZINC000463262865 876320327 /nfs/dbraw/zinc/32/03/27/876320327.db2.gz BSTNEOAEJCICNY-UHFFFAOYSA-N 2 2 403.570 4.499 20 30 HIEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481169833 896504967 /nfs/dbraw/zinc/50/49/67/896504967.db2.gz GHUMOXXCFPELLU-WIOPSUGQSA-N 2 2 418.585 4.050 20 30 HIEDLP Cc1cc(C)cc(N(CCC#N)C(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481169833 896504983 /nfs/dbraw/zinc/50/49/83/896504983.db2.gz GHUMOXXCFPELLU-WIOPSUGQSA-N 2 2 418.585 4.050 20 30 HIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)c2sc(Cc3ccc(OC)c(OC)c3)nc2C)CC1 ZINC000482616012 898218457 /nfs/dbraw/zinc/21/84/57/898218457.db2.gz DXSURMJEWNRYAS-MRXNPFEDSA-N 2 2 415.603 4.361 20 30 HIEDLP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000491227276 904489922 /nfs/dbraw/zinc/48/99/22/904489922.db2.gz AZURVCONDFJIFB-NBGIEHNGSA-N 2 2 413.569 4.444 20 30 HIEDLP C[C@H]1C[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[N@H+]1Cc1ccccc1 ZINC000491227276 904489930 /nfs/dbraw/zinc/48/99/30/904489930.db2.gz AZURVCONDFJIFB-NBGIEHNGSA-N 2 2 413.569 4.444 20 30 HIEDLP C[C@H]1C[C@H]([N@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000491227276 904489942 /nfs/dbraw/zinc/48/99/42/904489942.db2.gz AZURVCONDFJIFB-NBGIEHNGSA-N 2 2 413.569 4.444 20 30 HIEDLP C[C@H]1C[C@H]([N@@H+](C)Cc2cn(C)nc2-c2ccc(C#N)cc2)CC[NH+]1Cc1ccccc1 ZINC000491227276 904489960 /nfs/dbraw/zinc/48/99/60/904489960.db2.gz AZURVCONDFJIFB-NBGIEHNGSA-N 2 2 413.569 4.444 20 30 HIEDLP N#CCCn1cc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(-c2ccccc2)n1 ZINC000502328588 911305494 /nfs/dbraw/zinc/30/54/94/911305494.db2.gz WHXKHGMZIXKJIF-OAQYLSRUSA-N 2 2 414.557 4.376 20 30 HIEDLP N#CCCn1cc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(-c2ccccc2)n1 ZINC000502328588 911305504 /nfs/dbraw/zinc/30/55/04/911305504.db2.gz WHXKHGMZIXKJIF-OAQYLSRUSA-N 2 2 414.557 4.376 20 30 HIEDLP CC[N@H+](CCOc1ccccc1C#N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532733276 931616204 /nfs/dbraw/zinc/61/62/04/931616204.db2.gz QTVOAEZPAJVJIQ-UHFFFAOYSA-N 2 2 407.562 4.150 20 30 HIEDLP CC[N@@H+](CCOc1ccccc1C#N)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000532733276 931616207 /nfs/dbraw/zinc/61/62/07/931616207.db2.gz QTVOAEZPAJVJIQ-UHFFFAOYSA-N 2 2 407.562 4.150 20 30 HIEDLP C[C@@H](c1ccncc1)[NH+]1CCC([NH2+]Cc2cn(CCC#N)nc2-c2ccccc2)CC1 ZINC000533038632 931748314 /nfs/dbraw/zinc/74/83/14/931748314.db2.gz GARNMSLUDNRBHS-FQEVSTJZSA-N 2 2 414.557 4.174 20 30 HIEDLP CC[N@H+](CCOc1ccc(C#N)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073793 931763113 /nfs/dbraw/zinc/76/31/13/931763113.db2.gz AGOVOPHGRWWATB-UHFFFAOYSA-N 2 2 407.562 4.150 20 30 HIEDLP CC[N@@H+](CCOc1ccc(C#N)cc1)C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000533073793 931763121 /nfs/dbraw/zinc/76/31/21/931763121.db2.gz AGOVOPHGRWWATB-UHFFFAOYSA-N 2 2 407.562 4.150 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCc3coc(-c4ccc(F)cc4)n3)CC2)cc1 ZINC000538396066 938610604 /nfs/dbraw/zinc/61/06/04/938610604.db2.gz OJOJBOUJZCXIKL-UHFFFAOYSA-N 2 2 404.489 4.149 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]C3CCC(Oc4ccccc4C#N)CC3)CC2)cc1 ZINC000539509798 938870815 /nfs/dbraw/zinc/87/08/15/938870815.db2.gz OQGNBQVZRARWPU-UHFFFAOYSA-N 2 2 414.553 4.374 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]CCOc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000540594363 939314415 /nfs/dbraw/zinc/31/44/15/939314415.db2.gz SCMFHMVSLNCRAB-UHFFFAOYSA-N 2 2 403.448 4.210 20 30 HIEDLP C[C@@H]([NH2+]C1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCOCC1)c1ccccc1 ZINC000556870448 942945457 /nfs/dbraw/zinc/94/54/57/942945457.db2.gz FGIIXMJITFQGGI-OAQYLSRUSA-N 2 2 418.585 4.017 20 30 HIEDLP C[C@H]([NH2+]C1(C[NH2+]C2CCN(c3ccc(C#N)cc3)CC2)CCOCC1)c1ccccc1 ZINC000556870441 942945605 /nfs/dbraw/zinc/94/56/05/942945605.db2.gz FGIIXMJITFQGGI-NRFANRHFSA-N 2 2 418.585 4.017 20 30 HIEDLP N#Cc1c(NC(=O)CC[NH+]2CCC([NH+]3CCCCC3)CC2)sc2c1CCCCC2 ZINC000117398975 853355448 /nfs/dbraw/zinc/35/54/48/853355448.db2.gz AIARAMDXFXWLCA-UHFFFAOYSA-N 2 2 414.619 4.168 20 30 HIEDLP [NH2+]=C(NCCc1ccccc1)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000303983653 855336020 /nfs/dbraw/zinc/33/60/20/855336020.db2.gz RJXPKUIFASZFAZ-UHFFFAOYSA-N 2 2 409.537 4.245 20 30 HIEDLP C=CCn1c(CC[NH+]2CCCCC2)nnc1SCc1ccc(-n2cc[nH+]c2)cc1C ZINC000475975891 890892900 /nfs/dbraw/zinc/89/29/00/890892900.db2.gz KVDRSMDJOINWRJ-UHFFFAOYSA-N 2 2 422.602 4.279 20 30 HIEDLP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(Cl)cc2C#N)CC1 ZINC000480877479 896235881 /nfs/dbraw/zinc/23/58/81/896235881.db2.gz WFDDTWBPEZJMNQ-MRXNPFEDSA-N 2 2 400.929 4.343 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183395 896528000 /nfs/dbraw/zinc/52/80/00/896528000.db2.gz RUFXQZWZXVREOV-SXWKCWPCSA-N 2 2 411.615 4.151 20 30 HIEDLP C=CCN(Cc1cccs1)C(=O)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481183395 896528015 /nfs/dbraw/zinc/52/80/15/896528015.db2.gz RUFXQZWZXVREOV-SXWKCWPCSA-N 2 2 411.615 4.151 20 30 HIEDLP C=CC[NH+]1CCC([NH2+][C@@H](C)c2sc(Cc3ccc(OC)c(OC)c3)nc2C)CC1 ZINC000482616011 898218788 /nfs/dbraw/zinc/21/87/88/898218788.db2.gz DXSURMJEWNRYAS-INIZCTEOSA-N 2 2 415.603 4.361 20 30 HIEDLP C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC([NH+]4CCCCC4)CC3)sc2C1 ZINC000507712376 916504931 /nfs/dbraw/zinc/50/49/31/916504931.db2.gz BFKOOXZGUOWRKV-KRWDZBQOSA-N 2 2 414.619 4.023 20 30 HIEDLP C=CC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000512013448 920785958 /nfs/dbraw/zinc/78/59/58/920785958.db2.gz ATWNVOZEBHOGNP-CYBMUJFWSA-N 2 2 403.876 4.316 20 30 HIEDLP Cc1sc(NC(=O)C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c(C#N)c1C ZINC000535678939 933329018 /nfs/dbraw/zinc/32/90/18/933329018.db2.gz DRTVAMYZWCZMMF-UHFFFAOYSA-N 2 2 422.598 4.163 20 30 HIEDLP Cc1sc(NC(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c(C#N)c1C ZINC000535678939 933329030 /nfs/dbraw/zinc/32/90/30/933329030.db2.gz DRTVAMYZWCZMMF-UHFFFAOYSA-N 2 2 422.598 4.163 20 30 HIEDLP CCOc1cc2c(cc1C[NH2+]C1CC[NH+](Cc3ccc(C#N)cc3)CC1)O[C@@H](C)C2 ZINC000537293046 933700898 /nfs/dbraw/zinc/70/08/98/933700898.db2.gz GPGYVXXVDRSQHA-SFHVURJKSA-N 2 2 405.542 4.035 20 30 HIEDLP N#Cc1ccc(C[NH+]2CCC([NH2+]Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)cc1 ZINC000540598720 939315747 /nfs/dbraw/zinc/31/57/47/939315747.db2.gz PTPZCYAZRRCGHC-UHFFFAOYSA-N 3 2 402.586 4.298 20 30 HIEDLP CN1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(C#N)cc3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000540607183 939318215 /nfs/dbraw/zinc/31/82/15/939318215.db2.gz RYAGWEQFSSKWQY-ZEQRLZLVSA-N 2 2 408.977 4.211 20 30 HIEDLP C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544425110 940424659 /nfs/dbraw/zinc/42/46/59/940424659.db2.gz OLBUTHPDGLFMLO-DLBZAZTESA-N 2 2 414.619 4.070 20 30 HIEDLP C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544425110 940424661 /nfs/dbraw/zinc/42/46/61/940424661.db2.gz OLBUTHPDGLFMLO-DLBZAZTESA-N 2 2 414.619 4.070 20 30 HIEDLP