smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCSC2)CC[N@H+]1CCOC ZINC001306623677 1069315992 /nfs/dbraw/zinc/31/59/92/1069315992.db2.gz ULQWCRVMWBBQJK-GGAORHGYSA-N 1 1 468.671 3.897 20 30 JHEDMO CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCSC2)CC[N@H+]1CCOC ZINC001306623679 1069316167 /nfs/dbraw/zinc/31/61/67/1069316167.db2.gz ULQWCRVMWBBQJK-JTHBVZDNSA-N 1 1 468.671 3.897 20 30 JHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001311493274 1069404158 /nfs/dbraw/zinc/40/41/58/1069404158.db2.gz LGJDVOIYRCRDRD-NLFFAJNJSA-N 1 1 459.594 3.927 20 30 JHEDMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001306719572 1069453478 /nfs/dbraw/zinc/45/34/78/1069453478.db2.gz CVXCGMLDUMRJDQ-HSZRJFAPSA-N 1 1 463.630 3.677 20 30 JHEDMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001306724087 1069464859 /nfs/dbraw/zinc/46/48/59/1069464859.db2.gz WFKWYLFMNQMBNA-XMMPIXPASA-N 1 1 477.657 3.953 20 30 JHEDMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[N@@H+](CCC)C2)C1 ZINC001306739457 1069511544 /nfs/dbraw/zinc/51/15/44/1069511544.db2.gz YYVIZKNDJHVWDT-ISKFKSNPSA-N 1 1 477.657 3.681 20 30 JHEDMO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](CC)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001312009967 1069666402 /nfs/dbraw/zinc/66/64/02/1069666402.db2.gz OHPKUYZYXUYUJR-GPXOXTDOSA-N 1 1 450.583 3.846 20 30 JHEDMO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](CC)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001312009967 1069666409 /nfs/dbraw/zinc/66/64/09/1069666409.db2.gz OHPKUYZYXUYUJR-GPXOXTDOSA-N 1 1 450.583 3.846 20 30 JHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001312126576 1069733620 /nfs/dbraw/zinc/73/36/20/1069733620.db2.gz CSMVSVIZJQPQLN-CVDCTZTESA-N 1 1 452.002 3.954 20 30 JHEDMO CCC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1C ZINC001307056576 1069828721 /nfs/dbraw/zinc/82/87/21/1069828721.db2.gz BNWXDIZVDBCSLD-QHCPKHFHSA-N 1 1 476.629 3.672 20 30 JHEDMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001307057077 1069831939 /nfs/dbraw/zinc/83/19/39/1069831939.db2.gz VJTLHGJYPBGTQK-ZEQRLZLVSA-N 1 1 466.630 3.711 20 30 JHEDMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001307057071 1069832373 /nfs/dbraw/zinc/83/23/73/1069832373.db2.gz VJTLHGJYPBGTQK-BJKOFHAPSA-N 1 1 466.630 3.711 20 30 JHEDMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001307723975 1070148542 /nfs/dbraw/zinc/14/85/42/1070148542.db2.gz DGTZAXGUIBMPKX-KRWDZBQOSA-N 1 1 459.468 3.823 20 30 JHEDMO C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001307723975 1070148545 /nfs/dbraw/zinc/14/85/45/1070148545.db2.gz DGTZAXGUIBMPKX-KRWDZBQOSA-N 1 1 459.468 3.823 20 30 JHEDMO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2 ZINC001313082609 1070244025 /nfs/dbraw/zinc/24/40/25/1070244025.db2.gz SKMQATQYIJAHIF-WOJBJXKFSA-N 1 1 466.395 3.929 20 30 JHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3cc(-c4ccc(F)cc4F)on3)CC2)cc1 ZINC001313234223 1070301064 /nfs/dbraw/zinc/30/10/64/1070301064.db2.gz QJTDYRXLZSZXIW-UHFFFAOYSA-N 1 1 451.477 3.909 20 30 JHEDMO N#CCc1ccc(OC[C@H](O)C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc1 ZINC001308124890 1070322170 /nfs/dbraw/zinc/32/21/70/1070322170.db2.gz QLWUSCPDOMHYBB-YUELXQCFSA-N 1 1 458.349 3.595 20 30 JHEDMO CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001314490058 1070401454 /nfs/dbraw/zinc/40/14/54/1070401454.db2.gz IRICOECTWBZGRI-FYYLOGMGSA-N 1 1 466.630 3.856 20 30 JHEDMO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2c(C)noc2C)C[C@H]1CC ZINC001314495959 1070416225 /nfs/dbraw/zinc/41/62/25/1070416225.db2.gz MJVPAUYWTXOATO-HSZRJFAPSA-N 1 1 477.613 3.601 20 30 JHEDMO CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCC[N@H+]2CCC)CC1 ZINC001313469554 1070453065 /nfs/dbraw/zinc/45/30/65/1070453065.db2.gz WVMHKCUZTBKILC-DEOSSOPVSA-N 1 1 477.657 3.824 20 30 JHEDMO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccco1)[NH+]1CCCC1 ZINC001314515459 1070486073 /nfs/dbraw/zinc/48/60/73/1070486073.db2.gz HFMOXUXEOIXNLU-KNQAVFIVSA-N 1 1 496.637 3.506 20 30 JHEDMO CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)cn1 ZINC001313514255 1070570348 /nfs/dbraw/zinc/57/03/48/1070570348.db2.gz QMZBKYNEPGVIQU-UHFFFAOYSA-N 1 1 459.598 3.969 20 30 JHEDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)cc(C#N)c2)[C@H]1c1cccs1 ZINC001309221381 1070621004 /nfs/dbraw/zinc/62/10/04/1070621004.db2.gz ZWSKZTKQIHXTQS-KDOFPFPSSA-N 1 1 454.415 3.744 20 30 JHEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001309401275 1070747679 /nfs/dbraw/zinc/74/76/79/1070747679.db2.gz OHAOSXUNWVOEDD-FQEVSTJZSA-N 1 1 455.605 3.651 20 30 JHEDMO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001309401275 1070747693 /nfs/dbraw/zinc/74/76/93/1070747693.db2.gz OHAOSXUNWVOEDD-FQEVSTJZSA-N 1 1 455.605 3.651 20 30 JHEDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2csc(C)c2)CC1 ZINC001313642780 1070791732 /nfs/dbraw/zinc/79/17/32/1070791732.db2.gz AAYAREMIVJKDSP-UHFFFAOYSA-N 1 1 491.665 3.616 20 30 JHEDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2csc(C)c2)CC1 ZINC001313642780 1070791740 /nfs/dbraw/zinc/79/17/40/1070791740.db2.gz AAYAREMIVJKDSP-UHFFFAOYSA-N 1 1 491.665 3.616 20 30 JHEDMO N#Cc1sccc1S(=O)(=O)N(Cc1ccncc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001309525529 1070827420 /nfs/dbraw/zinc/82/74/20/1070827420.db2.gz UZKSNAHKFCZGLW-NRFANRHFSA-N 1 1 452.605 3.870 20 30 JHEDMO N#Cc1sccc1S(=O)(=O)N(Cc1ccncc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001309525529 1070827447 /nfs/dbraw/zinc/82/74/47/1070827447.db2.gz UZKSNAHKFCZGLW-NRFANRHFSA-N 1 1 452.605 3.870 20 30 JHEDMO CC[NH+](CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC001313675649 1070917307 /nfs/dbraw/zinc/91/73/07/1070917307.db2.gz VIQMAXMIUQVQDF-VXKWHMMOSA-N 1 1 498.678 3.585 20 30 JHEDMO CC[NH+](CC)CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCc2[nH]c(=O)c(C#N)cc2C1 ZINC001313715893 1071014974 /nfs/dbraw/zinc/01/49/74/1071014974.db2.gz KWOKICRWZRNREF-UHFFFAOYSA-N 1 1 496.015 3.777 20 30 JHEDMO CC[N@@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1)C(C)C ZINC001313806218 1071223677 /nfs/dbraw/zinc/22/36/77/1071223677.db2.gz RYZCYMJHGIROEE-LVXARBLLSA-N 1 1 479.629 3.650 20 30 JHEDMO C[N@@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1)C1CCCC1 ZINC001314867707 1071275317 /nfs/dbraw/zinc/27/53/17/1071275317.db2.gz RAXVQAZFFKEZMF-YADARESESA-N 1 1 475.613 3.666 20 30 JHEDMO C[N@H+]1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC001314931359 1071375680 /nfs/dbraw/zinc/37/56/80/1071375680.db2.gz RMOTUOFSZHKXTL-HXUWFJFHSA-N 1 1 475.563 3.621 20 30 JHEDMO CN1CC[N@H+](CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC001314931359 1071375702 /nfs/dbraw/zinc/37/57/02/1071375702.db2.gz RMOTUOFSZHKXTL-HXUWFJFHSA-N 1 1 475.563 3.621 20 30 JHEDMO CN1CC[N@@H+](CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC001314931359 1071375720 /nfs/dbraw/zinc/37/57/20/1071375720.db2.gz RMOTUOFSZHKXTL-HXUWFJFHSA-N 1 1 475.563 3.621 20 30 JHEDMO C[N@H+]1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1(C)C ZINC001314932074 1071378604 /nfs/dbraw/zinc/37/86/04/1071378604.db2.gz YWEXUXFUTPUQIZ-HSZRJFAPSA-N 1 1 479.673 3.627 20 30 JHEDMO CN1CC[N@H+](CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1(C)C ZINC001314932074 1071378615 /nfs/dbraw/zinc/37/86/15/1071378615.db2.gz YWEXUXFUTPUQIZ-HSZRJFAPSA-N 1 1 479.673 3.627 20 30 JHEDMO CN1CC[N@@H+](CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1(C)C ZINC001314932074 1071378620 /nfs/dbraw/zinc/37/86/20/1071378620.db2.gz YWEXUXFUTPUQIZ-HSZRJFAPSA-N 1 1 479.673 3.627 20 30 JHEDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2cc(C)oc2C)C[C@@H]1C ZINC001313868328 1071404653 /nfs/dbraw/zinc/40/46/53/1071404653.db2.gz NWQRTGZUTAQUFT-QSAFDGGLSA-N 1 1 462.598 3.853 20 30 JHEDMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001313890102 1071481333 /nfs/dbraw/zinc/48/13/33/1071481333.db2.gz MGSMMUIZLMDGNF-FQEVSTJZSA-N 1 1 479.629 3.652 20 30 JHEDMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001313891913 1071485404 /nfs/dbraw/zinc/48/54/04/1071485404.db2.gz ALNWJFSQPDHLKH-UTKZUKDTSA-N 1 1 460.424 3.660 20 30 JHEDMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001313892290 1071486994 /nfs/dbraw/zinc/48/69/94/1071486994.db2.gz DIAJLBSXBMGMEN-UQBPGWFLSA-N 1 1 468.602 3.585 20 30 JHEDMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313910603 1071535956 /nfs/dbraw/zinc/53/59/56/1071535956.db2.gz XIFMJGMZXACJGD-VXKWHMMOSA-N 1 1 479.629 3.795 20 30 JHEDMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001313913742 1071544356 /nfs/dbraw/zinc/54/43/56/1071544356.db2.gz LRUWMLWUKVWAON-CTNGQTDRSA-N 1 1 452.603 3.607 20 30 JHEDMO CC[N@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC001313934370 1071602271 /nfs/dbraw/zinc/60/22/71/1071602271.db2.gz UMAOPFOMSQQXQY-SFHVURJKSA-N 1 1 463.586 3.699 20 30 JHEDMO CC[C@H]1CCCC[N@H+]1CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001306325858 1068762959 /nfs/dbraw/zinc/76/29/59/1068762959.db2.gz VMCQMIJPTGHCIC-OFVILXPXSA-N 1 1 458.651 3.713 20 30 JHEDMO CC[C@@H]1CCCC[N@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001306326501 1068764288 /nfs/dbraw/zinc/76/42/88/1068764288.db2.gz YPGAKUQTZHRMJI-IFMALSPDSA-N 1 1 466.630 3.997 20 30 JHEDMO CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSC(C)C)C[C@H]1[NH+]1CCOCC1 ZINC001306406388 1068876357 /nfs/dbraw/zinc/87/63/57/1068876357.db2.gz XPHNKBDVJKPEGJ-RBBKRZOGSA-N 1 1 454.644 3.505 20 30 JHEDMO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCCC[C@H]2CC)C1 ZINC001306498696 1069051101 /nfs/dbraw/zinc/05/11/01/1069051101.db2.gz KXOQYPDHTDWPGA-DNQXCXABSA-N 1 1 477.657 3.966 20 30 JHEDMO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+](C)C2CCCC2)C1 ZINC001306517809 1069129143 /nfs/dbraw/zinc/12/91/43/1069129143.db2.gz INSRZXCKQJKTSH-JOCHJYFZSA-N 1 1 477.657 3.824 20 30 JHEDMO CCN1CC[NH+](Cc2ccc(CNC(=O)N[C@@H](c3cccc(C#N)c3)C(F)(F)F)cc2)CC1 ZINC001311144477 1069283488 /nfs/dbraw/zinc/28/34/88/1069283488.db2.gz IFQVSDKGJCPGFN-QFIPXVFZSA-N 1 1 459.516 3.799 20 30 JHEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCc2c(C[NH+](C)C)nn(C(C)C)c2C1 ZINC001164650505 719312987 /nfs/dbraw/zinc/31/29/87/719312987.db2.gz YUEOHNVJEDJFLF-UHFFFAOYSA-N 1 1 480.947 3.730 20 30 JHEDMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)CC2 ZINC001164691021 719757384 /nfs/dbraw/zinc/75/73/84/719757384.db2.gz KDCUZIQCCHFCQN-UHFFFAOYSA-N 1 1 473.955 3.999 20 30 JHEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COC ZINC001164808104 720138024 /nfs/dbraw/zinc/13/80/24/720138024.db2.gz DOWPLSLRWOLOJF-VGOFRKELSA-N 1 1 482.959 3.513 20 30 JHEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1cccc(C#N)c1)C2 ZINC001164811956 720197572 /nfs/dbraw/zinc/19/75/72/720197572.db2.gz KNEATWWWHXYVGW-CYFREDJKSA-N 1 1 453.974 3.979 20 30 JHEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c12 ZINC001164815596 720248507 /nfs/dbraw/zinc/24/85/07/720248507.db2.gz CQKHLVOMJLRSSH-UHFFFAOYSA-N 1 1 450.974 3.876 20 30 JHEDMO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743499 720811564 /nfs/dbraw/zinc/81/15/64/720811564.db2.gz GEQUIMBRCURAFN-RVKKMQEKSA-N 1 1 482.366 3.776 20 30 JHEDMO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745431 720860326 /nfs/dbraw/zinc/86/03/26/720860326.db2.gz DLFOIPOQYQXTJR-SGXKBVARSA-N 1 1 465.964 3.870 20 30 JHEDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(C#N)cc4)c3)CC[C@H]2C1 ZINC001164856953 720892491 /nfs/dbraw/zinc/89/24/91/720892491.db2.gz INBAKYYACQFKIF-SIKLNZKXSA-N 1 1 476.955 3.992 20 30 JHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ccc([C@H](C#N)c4ccccc4F)nn3)C2)C1 ZINC001164779938 721357102 /nfs/dbraw/zinc/35/71/02/721357102.db2.gz AWDBYBCAXXLDPB-AJTFRIOCSA-N 1 1 490.583 3.995 20 30 JHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ccc([C@H](C#N)c4ccccc4F)nn3)C2)C1 ZINC001164779938 721357105 /nfs/dbraw/zinc/35/71/05/721357105.db2.gz AWDBYBCAXXLDPB-AJTFRIOCSA-N 1 1 490.583 3.995 20 30 JHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)C2)C1 ZINC001164787004 721375217 /nfs/dbraw/zinc/37/52/17/721375217.db2.gz WTXUTTCHJPJRQO-RUZDIDTESA-N 1 1 476.537 3.739 20 30 JHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)C2)C1 ZINC001164787004 721375221 /nfs/dbraw/zinc/37/52/21/721375221.db2.gz WTXUTTCHJPJRQO-RUZDIDTESA-N 1 1 476.537 3.739 20 30 JHEDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)c4C#N)C3)O2)CC1 ZINC001164885605 721384118 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NWABDDVXELRCPX-UHFFFAOYSA-N 1 1 458.198 3.800 20 30 JHEDMO C[C@H]([NH2+][C@@H](CO)c1ccc(Br)c(F)c1)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC001307802353 1070188703 /nfs/dbraw/zinc/18/87/03/1070188703.db2.gz QRACLCXXMDTDSB-DJJJIMSYSA-N 1 1 452.299 3.686 20 30 JHEDMO C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC001312944172 1070191836 /nfs/dbraw/zinc/19/18/36/1070191836.db2.gz CFJPQDKJRKQJIF-UHFFFAOYSA-N 1 1 455.553 3.574 20 30 JHEDMO CCOCc1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CC[C@](C)(CC)O1 ZINC001314377629 1070219602 /nfs/dbraw/zinc/21/96/02/1070219602.db2.gz FZDFDZOPRZOPJB-BVAGGSTKSA-N 1 1 466.630 3.746 20 30 JHEDMO CCOCc1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CC[C@@](C)(CC)O1 ZINC001314377632 1070219817 /nfs/dbraw/zinc/21/98/17/1070219817.db2.gz FZDFDZOPRZOPJB-JYFHCDHNSA-N 1 1 466.630 3.746 20 30 JHEDMO CC1(C)[C@H](c2ccccc2F)CC[N@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC001308008830 1070277692 /nfs/dbraw/zinc/27/76/92/1070277692.db2.gz RQGCCTDAQIJTGG-LADGPHEKSA-N 1 1 452.549 3.942 20 30 JHEDMO CC(C)(C)OC(=O)N1CC(O)(C[N@@H+](CCCOc2cccc(C#N)c2)Cc2ccccc2)C1 ZINC001308047347 1070291761 /nfs/dbraw/zinc/29/17/61/1070291761.db2.gz BQDBTMFYSKCQQW-UHFFFAOYSA-N 1 1 451.567 3.811 20 30 JHEDMO C#CC[N@@H+](Cc1coc(-c2ccc(C(=O)OC)cc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308075397 1070303840 /nfs/dbraw/zinc/30/38/40/1070303840.db2.gz LTBDVXKJRVONHR-UHFFFAOYSA-N 1 1 453.539 3.963 20 30 JHEDMO C#CC[N@H+](Cc1coc(-c2ccc(C(=O)OC)cc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308075397 1070303857 /nfs/dbraw/zinc/30/38/57/1070303857.db2.gz LTBDVXKJRVONHR-UHFFFAOYSA-N 1 1 453.539 3.963 20 30 JHEDMO N#Cc1cc(F)c(S(=O)(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1Br ZINC001309002679 1070477569 /nfs/dbraw/zinc/47/75/69/1070477569.db2.gz NMSIXHCJCZWBPE-OAHLLOKOSA-N 1 1 458.378 3.637 20 30 JHEDMO CCCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(C)(C)[NH+]2CCOCC2)cc1OC ZINC001313504527 1070538430 /nfs/dbraw/zinc/53/84/30/1070538430.db2.gz GFDBDFQWKOMSKY-HHHXNRCGSA-N 1 1 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CC[N@H+]1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001313891914 1071486305 /nfs/dbraw/zinc/48/63/05/1071486305.db2.gz ALNWJFSQPDHLKH-UWJYYQICSA-N 1 1 460.424 3.660 20 30 JHEDMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](C#N)C1 ZINC001313908361 1071530437 /nfs/dbraw/zinc/53/04/37/1071530437.db2.gz MZGKJIUOJFFRJZ-RBUKOAKNSA-N 1 1 473.419 3.619 20 30 JHEDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(CC#N)CC2)CC1 ZINC001313921976 1071563087 /nfs/dbraw/zinc/56/30/87/1071563087.db2.gz UOWZZOKNWWQHCQ-LJQANCHMSA-N 1 1 487.599 3.703 20 30 JHEDMO CC[N@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OCC(F)(F)F)C[C@H]1C ZINC001313932753 1071596468 /nfs/dbraw/zinc/59/64/68/1071596468.db2.gz LTRVNFVWCNBMDJ-QGZVFWFLSA-N 1 1 485.514 3.732 20 30 JHEDMO CC[N@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccc(OCC(F)(F)F)nc2)C[C@@H]1C ZINC001313937121 1071610124 /nfs/dbraw/zinc/61/01/24/1071610124.db2.gz SVTWFGYGSBEODF-SFHVURJKSA-N 1 1 499.541 3.926 20 30 JHEDMO CC[N@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ccc(C#N)o2)C[C@H]1C ZINC001313937477 1071610888 /nfs/dbraw/zinc/61/08/88/1071610888.db2.gz VAJULUXBSFJRCI-CQSZACIVSA-N 1 1 473.350 3.890 20 30 JHEDMO CCN1CC[NH+](CCCn2c(CSc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)CC1 ZINC001313959480 1071666786 /nfs/dbraw/zinc/66/67/86/1071666786.db2.gz UKWALSQBJUBKCJ-UHFFFAOYSA-N 1 1 488.105 3.991 20 30 JHEDMO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001314012874 1071749178 /nfs/dbraw/zinc/74/91/78/1071749178.db2.gz AKQGZSQFQCGNOU-JOCHJYFZSA-N 1 1 493.656 3.994 20 30 JHEDMO CCO[C@@H](CCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC001314067114 1071914729 /nfs/dbraw/zinc/91/47/29/1071914729.db2.gz WLCKKMUGSHJXOI-VWLOTQADSA-N 1 1 473.625 3.985 20 30 JHEDMO CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC001314067285 1071914760 /nfs/dbraw/zinc/91/47/60/1071914760.db2.gz SOLDSDPKHCRHMW-ICDZXHCJSA-N 1 1 480.657 3.815 20 30 JHEDMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N ZINC001306319232 1068743894 /nfs/dbraw/zinc/74/38/94/1068743894.db2.gz RLIQIBIDPIPOFP-FUHWJXTLSA-N 1 1 462.440 3.906 20 30 JHEDMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001306320282 1068748911 /nfs/dbraw/zinc/74/89/11/1068748911.db2.gz SQIGZYKTYBZLCT-ZEQRLZLVSA-N 1 1 466.630 3.711 20 30 JHEDMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001306320280 1068749042 /nfs/dbraw/zinc/74/90/42/1068749042.db2.gz SQIGZYKTYBZLCT-DNQXCXABSA-N 1 1 466.630 3.711 20 30 JHEDMO CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2sccc2C)CC[N@H+]1CCOC ZINC001306408321 1068885038 /nfs/dbraw/zinc/88/50/38/1068885038.db2.gz ALDKODQQQUJWIR-QFIPXVFZSA-N 1 1 464.639 3.976 20 30 JHEDMO CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc(C)c2)CC[N@H+]1CCOC ZINC001306408644 1068886554 /nfs/dbraw/zinc/88/65/54/1068886554.db2.gz CMJQQWBQXYQGHB-JOCHJYFZSA-N 1 1 450.612 3.782 20 30 JHEDMO CN1CC[NH+](Cc2cccc(CNC(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)c2)CC1 ZINC001310832225 1069183729 /nfs/dbraw/zinc/18/37/29/1069183729.db2.gz VDLIZZOWBSPMSD-UHFFFAOYSA-N 1 1 456.550 3.815 20 30 JHEDMO CCCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)o1 ZINC001306612619 1069291214 /nfs/dbraw/zinc/29/12/14/1069291214.db2.gz LXZMPGUAYRYVFY-SFHVURJKSA-N 1 1 463.586 3.556 20 30 JHEDMO N#Cc1cccc(N2CCOC[C@@]3(CCCN(c4nc(Cl)ccc4C[NH+]4CCCC4)C3)C2)n1 ZINC001164665417 719358459 /nfs/dbraw/zinc/35/84/59/719358459.db2.gz WUJJGXCFIWBUQB-VWLOTQADSA-N 1 1 467.017 3.721 20 30 JHEDMO Cc1ccc2nc(N3CCCn4c(=O)cc(C[N@H+](C)C(C)C)nc4C3)c(C#N)c(Cl)c2c1 ZINC001164816700 720247130 /nfs/dbraw/zinc/24/71/30/720247130.db2.gz LOWOYSKAMLLRES-UHFFFAOYSA-N 1 1 450.974 3.876 20 30 JHEDMO N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164744732 720858137 /nfs/dbraw/zinc/85/81/37/720858137.db2.gz CFYPOSWUZHAFAI-TUNNFDKTSA-N 1 1 490.999 3.765 20 30 JHEDMO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745421 720860452 /nfs/dbraw/zinc/86/04/52/720860452.db2.gz DLFOIPOQYQXTJR-AQOAWAETSA-N 1 1 465.964 3.870 20 30 JHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(C#N)c(Cl)n3)C2)C1 ZINC001164777726 721334417 /nfs/dbraw/zinc/33/44/17/721334417.db2.gz PTSSGEJODDDOEO-NRFANRHFSA-N 1 1 465.932 3.875 20 30 JHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(C#N)c(Cl)n3)C2)C1 ZINC001164777726 721334425 /nfs/dbraw/zinc/33/44/25/721334425.db2.gz PTSSGEJODDDOEO-NRFANRHFSA-N 1 1 465.932 3.875 20 30 JHEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC[C@@]2(C1)COCC[N@H+](Cc1c(C)noc1C)C2 ZINC001164777772 721342776 /nfs/dbraw/zinc/34/27/76/721342776.db2.gz HUPQKDXZWQQSST-XMMPIXPASA-N 1 1 487.988 3.507 20 30 JHEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC[C@@]2(C1)COCC[N@@H+](Cc1c(C)noc1C)C2 ZINC001164777772 721342781 /nfs/dbraw/zinc/34/27/81/721342781.db2.gz HUPQKDXZWQQSST-XMMPIXPASA-N 1 1 487.988 3.507 20 30 JHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc([C@H](C#N)c4ccccc4F)nn3)C2)C1 ZINC001164779939 721357974 /nfs/dbraw/zinc/35/79/74/721357974.db2.gz AWDBYBCAXXLDPB-AMGIVPHBSA-N 1 1 490.583 3.995 20 30 JHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ccc([C@H](C#N)c4ccccc4F)nn3)C2)C1 ZINC001164779939 721357980 /nfs/dbraw/zinc/35/79/80/721357980.db2.gz AWDBYBCAXXLDPB-AMGIVPHBSA-N 1 1 490.583 3.995 20 30 JHEDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc5cc(F)ccc5c(Cl)c4C#N)C3)O2)CC1 ZINC001164890028 721452539 /nfs/dbraw/zinc/45/25/39/721452539.db2.gz QDHOEYRWZLOISP-KOSHJBKYSA-N 1 1 457.981 3.664 20 30 JHEDMO CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164912182 721732067 /nfs/dbraw/zinc/73/20/67/721732067.db2.gz MJVYQRXNDRITBW-YADARESESA-N 1 1 484.551 3.558 20 30 JHEDMO CC[NH+](CC)C1CCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccccc2)CC1 ZINC001165053338 722005724 /nfs/dbraw/zinc/00/57/24/722005724.db2.gz NPUZWKAORDFVPC-QHCPKHFHSA-N 1 1 463.607 3.979 20 30 JHEDMO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995569 722211235 /nfs/dbraw/zinc/21/12/35/722211235.db2.gz JSIBSPOFRHBSGI-NLFFAJNJSA-N 1 1 451.546 3.809 20 30 JHEDMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001306724060 1069464627 /nfs/dbraw/zinc/46/46/27/1069464627.db2.gz XPSCBOHWUOHOJV-QHCPKHFHSA-N 1 1 463.630 3.563 20 30 JHEDMO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[N@@H+](CCC)C2)C1 ZINC001306737286 1069506283 /nfs/dbraw/zinc/50/62/83/1069506283.db2.gz OAIARHJSABFZTL-VWNXMTODSA-N 1 1 477.657 3.681 20 30 JHEDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CSCCS2)C1 ZINC001306788566 1069594366 /nfs/dbraw/zinc/59/43/66/1069594366.db2.gz KYYWBGZRCPLAHR-IRLDBZIGSA-N 1 1 486.711 3.745 20 30 JHEDMO CCCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306799583 1069604905 /nfs/dbraw/zinc/60/49/05/1069604905.db2.gz PLOMRNDNIWINFE-BGYRXZFFSA-N 1 1 454.619 3.853 20 30 JHEDMO N#Cc1ccc(CN2CCCN(C(=O)NCC3([NH+]4CCSCC4)CCCCC3)CC2)cc1 ZINC001311964721 1069640498 /nfs/dbraw/zinc/64/04/98/1069640498.db2.gz UDNNQTGOJLIVND-UHFFFAOYSA-N 1 1 455.672 3.527 20 30 JHEDMO CCOc1ccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)cc1 ZINC001314194202 1069763122 /nfs/dbraw/zinc/76/31/22/1069763122.db2.gz QSZMTDSQHJUHMF-PXDATVDWSA-N 1 1 496.656 3.914 20 30 JHEDMO CCC[N@H+]1CC[C@H](Cn2c(COc3ccc(Br)cc3)nnc2N(C)C[C@H](C)C#N)C1 ZINC001307046865 1069786665 /nfs/dbraw/zinc/78/66/65/1069786665.db2.gz SCKGLCMDTFFHGJ-MSOLQXFVSA-N 1 1 475.435 3.947 20 30 JHEDMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 ZINC001307054937 1069818568 /nfs/dbraw/zinc/81/85/68/1069818568.db2.gz MHZXQYKLDMKBBP-DHIUTWEWSA-N 1 1 463.630 3.576 20 30 JHEDMO CCOC1CC(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)C1 ZINC001314237701 1069936173 /nfs/dbraw/zinc/93/61/73/1069936173.db2.gz FVZBGPGIHHWWRW-JDJBWLAASA-N 1 1 466.630 3.853 20 30 JHEDMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001312484835 1069964611 /nfs/dbraw/zinc/96/46/11/1069964611.db2.gz CJJZXDSCTFPWNF-LOSJGSFVSA-N 1 1 459.594 3.750 20 30 JHEDMO N#Cc1ccc(OC2CCN(C(=O)NC[C@H]3CSCC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC001312490763 1069969531 /nfs/dbraw/zinc/96/95/31/1069969531.db2.gz XXRLWXCCHHFJIR-QFIPXVFZSA-N 1 1 450.608 3.729 20 30 JHEDMO N#Cc1ccc(OC2CCN(C(=O)NC[C@H]3CSCC[N@H+]3Cc3ccccc3)CC2)cc1 ZINC001312490763 1069969543 /nfs/dbraw/zinc/96/95/43/1069969543.db2.gz XXRLWXCCHHFJIR-QFIPXVFZSA-N 1 1 450.608 3.729 20 30 JHEDMO C#Cc1cccc(NC(=O)NC(=O)C[NH+]2CCC(Oc3cccc(Br)c3)CC2)c1 ZINC001307670613 1070114547 /nfs/dbraw/zinc/11/45/47/1070114547.db2.gz CPMBUNYANRQUBD-UHFFFAOYSA-N 1 1 456.340 3.622 20 30 JHEDMO C=C(C)[C@H]([NH2+]CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC001307698406 1070134316 /nfs/dbraw/zinc/13/43/16/1070134316.db2.gz NDJNXYIGNOLCHZ-SANMLTNESA-N 1 1 455.549 3.912 20 30 JHEDMO 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CCC[N@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001307037995 1069759975 /nfs/dbraw/zinc/75/99/75/1069759975.db2.gz HLIMBXHEFHVWJV-VXKWHMMOSA-N 1 1 493.656 3.900 20 30 JHEDMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001307040851 1069767902 /nfs/dbraw/zinc/76/79/02/1069767902.db2.gz YTRHLGLJRFNPKS-GOSISDBHSA-N 1 1 474.531 3.896 20 30 JHEDMO CN(C[C@@H]1CCCC[N@H+]1Cc1ccccc1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001312484834 1069964317 /nfs/dbraw/zinc/96/43/17/1069964317.db2.gz CJJZXDSCTFPWNF-DQEYMECFSA-N 1 1 459.594 3.750 20 30 JHEDMO CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001314273839 1070029903 /nfs/dbraw/zinc/02/99/03/1070029903.db2.gz FSNCJEZBZCRMRT-HSZRJFAPSA-N 1 1 466.630 3.856 20 30 JHEDMO CC[N@@H+](C[C@H](O)COc1ccc(CC#N)cc1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001307530494 1070037457 /nfs/dbraw/zinc/03/74/57/1070037457.db2.gz XOOZFVOGPQZCOZ-QHCPKHFHSA-N 1 1 451.615 3.705 20 30 JHEDMO CCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001314277603 1070037559 /nfs/dbraw/zinc/03/75/59/1070037559.db2.gz ZHTIJJRRVXZCBJ-XZOQPEGZSA-N 1 1 466.630 3.854 20 30 JHEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC001307724824 1070149535 /nfs/dbraw/zinc/14/95/35/1070149535.db2.gz KJKQPHFCNIONEZ-VWLOTQADSA-N 1 1 454.546 3.955 20 30 JHEDMO CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 ZINC001307724824 1070149542 /nfs/dbraw/zinc/14/95/42/1070149542.db2.gz KJKQPHFCNIONEZ-VWLOTQADSA-N 1 1 454.546 3.955 20 30 JHEDMO CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001314402420 1070263861 /nfs/dbraw/zinc/26/38/61/1070263861.db2.gz FASJZKAMYMZSAM-URXFXBBRSA-N 1 1 466.630 3.776 20 30 JHEDMO CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC001314405506 1070268262 /nfs/dbraw/zinc/26/82/62/1070268262.db2.gz CZWSAWXBINDCGN-ISKFKSNPSA-N 1 1 466.630 3.632 20 30 JHEDMO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001313472405 1070466477 /nfs/dbraw/zinc/46/64/77/1070466477.db2.gz YZNQEVKCDLRPHD-HSZRJFAPSA-N 1 1 491.684 3.927 20 30 JHEDMO CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001314515442 1070486149 /nfs/dbraw/zinc/48/61/49/1070486149.db2.gz HFMOXUXEOIXNLU-DENIHFKCSA-N 1 1 496.637 3.506 20 30 JHEDMO CCCOc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC[N@@H+]2CCOC[C@H]2C)cc1OC ZINC001313505080 1070541531 /nfs/dbraw/zinc/54/15/31/1070541531.db2.gz XHUHCZTWPVLSLH-HXUWFJFHSA-N 1 1 482.629 3.593 20 30 JHEDMO CCCOc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC[N@H+]2CCOC[C@H]2C)cc1OC ZINC001313505080 1070541544 /nfs/dbraw/zinc/54/15/44/1070541544.db2.gz XHUHCZTWPVLSLH-HXUWFJFHSA-N 1 1 482.629 3.593 20 30 JHEDMO CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001314563578 1070565862 /nfs/dbraw/zinc/56/58/62/1070565862.db2.gz JSGVZELMHHMDTF-UBRWKZKUSA-N 1 1 468.671 3.676 20 30 JHEDMO C[N@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)cc(C#N)c2)[C@@H]1c1cccs1 ZINC001309221385 1070621182 /nfs/dbraw/zinc/62/11/82/1070621182.db2.gz ZWSKZTKQIHXTQS-RDTXWAMCSA-N 1 1 454.415 3.744 20 30 JHEDMO C[NH+](C)[C@@H](Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(CC#N)CC1)c1ccco1 ZINC001314646977 1070747692 /nfs/dbraw/zinc/74/76/92/1070747692.db2.gz IIWKHFSJPHNVNL-NRFANRHFSA-N 1 1 496.015 3.887 20 30 JHEDMO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1Cl ZINC001314655157 1070771621 /nfs/dbraw/zinc/77/16/21/1070771621.db2.gz JILUHCTYODIXMM-DENIHFKCSA-N 1 1 470.065 4.000 20 30 JHEDMO C[NH+](C)CCN1CCC(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@](C)(C#N)C2)CC1 ZINC001314669404 1070807269 /nfs/dbraw/zinc/80/72/69/1070807269.db2.gz FHRQFHKEOPNVRF-AREMUKBSSA-N 1 1 484.092 3.926 20 30 JHEDMO CC[NH+](CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1)c1ccsc1 ZINC001313675333 1070915219 /nfs/dbraw/zinc/91/52/19/1070915219.db2.gz RUWDCUQKVCBXTL-VXKWHMMOSA-N 1 1 498.678 3.585 20 30 JHEDMO C[N@@H+](CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1)C1CCCC1 ZINC001314864505 1071263074 /nfs/dbraw/zinc/26/30/74/1071263074.db2.gz BIONEQJYHXQVQF-DFBJGRDBSA-N 1 1 489.640 3.709 20 30 JHEDMO CN(CCn1c(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C)CC(F)(F)F ZINC001314866826 1071271834 /nfs/dbraw/zinc/27/18/34/1071271834.db2.gz CWWHOEYSMVNFRI-UHFFFAOYSA-N 1 1 477.579 3.654 20 30 JHEDMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(CCC#N)CC1CC1 ZINC001314925045 1071368346 /nfs/dbraw/zinc/36/83/46/1071368346.db2.gz RDDVQPHZZVHKRI-FQEVSTJZSA-N 1 1 469.659 3.520 20 30 JHEDMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001314928612 1071371557 /nfs/dbraw/zinc/37/15/57/1071371557.db2.gz NKJRLEYDGOQOFI-RBUKOAKNSA-N 1 1 462.520 3.705 20 30 JHEDMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001314928959 1071372288 /nfs/dbraw/zinc/37/22/88/1071372288.db2.gz QXZFBPQPGNPQBN-QFIPXVFZSA-N 1 1 477.657 3.632 20 30 JHEDMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCCC(F)(F)F)C[C@H]1C ZINC001313873763 1071425555 /nfs/dbraw/zinc/42/55/55/1071425555.db2.gz DDAHYSSGNCCJFX-SJORKVTESA-N 1 1 450.509 3.990 20 30 JHEDMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001313916118 1071552043 /nfs/dbraw/zinc/55/20/43/1071552043.db2.gz WBQMBDFOMLEBSM-NVQXNPDNSA-N 1 1 466.630 3.999 20 30 JHEDMO CC[N@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001313934369 1071602447 /nfs/dbraw/zinc/60/24/47/1071602447.db2.gz UMAOPFOMSQQXQY-GOSISDBHSA-N 1 1 463.586 3.699 20 30 JHEDMO CC[NH+]1CCN(CCCCn2c(CCc3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 ZINC001313953434 1071649021 /nfs/dbraw/zinc/64/90/21/1071649021.db2.gz DYBYRTPKWUTQRO-MHZLTWQESA-N 1 1 463.674 3.611 20 30 JHEDMO CC[NH+]1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCC=C(Br)C2)CC1 ZINC001313955471 1071655381 /nfs/dbraw/zinc/65/53/81/1071655381.db2.gz UUEKCOOWYNHAEC-UHFFFAOYSA-N 1 1 498.473 3.723 20 30 JHEDMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 ZINC001306319005 1068743565 /nfs/dbraw/zinc/74/35/65/1068743565.db2.gz QJKYIPFRTBPCCW-ZCNNSNEGSA-N 1 1 456.566 3.550 20 30 JHEDMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCCOC)C1 ZINC001306320860 1068750393 /nfs/dbraw/zinc/75/03/93/1068750393.db2.gz YAQZZEYGNDLPOI-DNQXCXABSA-N 1 1 466.630 3.713 20 30 JHEDMO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC001306405244 1068872463 /nfs/dbraw/zinc/87/24/63/1068872463.db2.gz CDUDVYXZRQRTFO-ISHFTEKXSA-N 1 1 466.630 3.708 20 30 JHEDMO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)s2)CC[N@H+]1CCOC ZINC001306406953 1068879469 /nfs/dbraw/zinc/87/94/69/1068879469.db2.gz RPNHJQHLTCANMW-OAQYLSRUSA-N 1 1 450.612 3.782 20 30 JHEDMO C[N@@H+](CCN1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1)Cc1ccccc1 ZINC001310712395 1069128110 /nfs/dbraw/zinc/12/81/10/1069128110.db2.gz DLEBRKPXBXZARJ-UHFFFAOYSA-N 1 1 456.388 3.602 20 30 JHEDMO CCC[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001306534534 1069178109 /nfs/dbraw/zinc/17/81/09/1069178109.db2.gz FWVWVVFHGAANRR-HHHXNRCGSA-N 1 1 473.625 3.784 20 30 JHEDMO CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001306551471 1069215406 /nfs/dbraw/zinc/21/54/06/1069215406.db2.gz XVSGDECOERYXKN-SFTDATJTSA-N 1 1 477.657 3.680 20 30 JHEDMO CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)(C)C)CC[N@H+]1CCOC ZINC001306621316 1069309721 /nfs/dbraw/zinc/30/97/21/1069309721.db2.gz AKGYGKHRIIXTHS-JOCHJYFZSA-N 1 1 454.619 3.569 20 30 JHEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccccc1C#N)C2 ZINC001164815286 720198249 /nfs/dbraw/zinc/19/82/49/720198249.db2.gz YHBLTYFHEPZHAM-YADARESESA-N 1 1 453.974 3.979 20 30 JHEDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3cc(F)ccc3c(Cl)c1C#N)CCC2 ZINC001164817160 720248252 /nfs/dbraw/zinc/24/82/52/720248252.db2.gz POVGAYLDQFSVAN-UHFFFAOYSA-N 1 1 454.937 3.706 20 30 JHEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728341 720404750 /nfs/dbraw/zinc/40/47/50/720404750.db2.gz SZTJTKDIRXDILS-ZWKOTPCHSA-N 1 1 461.900 3.576 20 30 JHEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728341 720404754 /nfs/dbraw/zinc/40/47/54/720404754.db2.gz SZTJTKDIRXDILS-ZWKOTPCHSA-N 1 1 461.900 3.576 20 30 JHEDMO CSc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C#N ZINC001164744481 720836354 /nfs/dbraw/zinc/83/63/54/720836354.db2.gz KEYDNQQHQRQQAS-QZNHQXDQSA-N 1 1 486.649 3.708 20 30 JHEDMO N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164744711 720858612 /nfs/dbraw/zinc/85/86/12/720858612.db2.gz CFYPOSWUZHAFAI-JAXLGGSGSA-N 1 1 490.999 3.765 20 30 JHEDMO N#Cc1cc(C#N)c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1Cl ZINC001164750586 720888545 /nfs/dbraw/zinc/88/85/45/720888545.db2.gz BKCIMPGEZXMXMT-WIOPSUGQSA-N 1 1 462.985 3.628 20 30 JHEDMO CSc1nc(-c2ccccc2)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1C#N ZINC001164866738 721108936 /nfs/dbraw/zinc/10/89/36/721108936.db2.gz UTXJQPCFEQWAQB-LEWJYISDSA-N 1 1 458.591 3.612 20 30 JHEDMO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868294 721186242 /nfs/dbraw/zinc/18/62/42/721186242.db2.gz LWBVABBQWKKARE-WOJBJXKFSA-N 1 1 462.941 3.669 20 30 JHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccnc(Cl)c3C#N)C2)C1 ZINC001164777581 721336763 /nfs/dbraw/zinc/33/67/63/721336763.db2.gz OHRQQBMWKJDWFO-NRFANRHFSA-N 1 1 465.932 3.875 20 30 JHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccnc(Cl)c3C#N)C2)C1 ZINC001164777581 721336765 /nfs/dbraw/zinc/33/67/65/721336765.db2.gz OHRQQBMWKJDWFO-NRFANRHFSA-N 1 1 465.932 3.875 20 30 JHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(Cl)nc3C#N)C2)C1 ZINC001164779459 721343962 /nfs/dbraw/zinc/34/39/62/721343962.db2.gz UADGLGSFHZRWCI-NRFANRHFSA-N 1 1 465.932 3.875 20 30 JHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3ccc(Cl)nc3C#N)C2)C1 ZINC001164779459 721343965 /nfs/dbraw/zinc/34/39/65/721343965.db2.gz UADGLGSFHZRWCI-NRFANRHFSA-N 1 1 465.932 3.875 20 30 JHEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)cc1C#N)CC2 ZINC001164785858 721463554 /nfs/dbraw/zinc/46/35/54/721463554.db2.gz OEVWUICSTKCPKD-IBGZPJMESA-N 1 1 468.976 3.885 20 30 JHEDMO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796708 721500777 /nfs/dbraw/zinc/50/07/77/721500777.db2.gz WALKNRAPPKLLCC-OAQYLSRUSA-N 1 1 470.577 3.686 20 30 JHEDMO Cc1nc(C#Cc2ccnc(N3CC[C@H]4[C@H]3CC[N@H+]4CCN(C)C)c2)c(C)n1-c1ccc(F)cc1 ZINC001164928082 721863733 /nfs/dbraw/zinc/86/37/33/721863733.db2.gz XTZAUAXBZXLCJX-RRPNLBNLSA-N 1 1 472.612 3.638 20 30 JHEDMO Cc1nc(C#Cc2ccnc(N3CC[C@H]4[C@H]3CC[N@@H+]4CCN(C)C)c2)c(C)n1-c1ccc(F)cc1 ZINC001164928082 721863736 /nfs/dbraw/zinc/86/37/36/721863736.db2.gz XTZAUAXBZXLCJX-RRPNLBNLSA-N 1 1 472.612 3.638 20 30 JHEDMO CCCC[N@@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001306682307 1069413276 /nfs/dbraw/zinc/41/32/76/1069413276.db2.gz GJGSUSGJTXONJN-UHFFFAOYSA-N 1 1 465.646 3.632 20 30 JHEDMO CCC[N@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001307037704 1069758954 /nfs/dbraw/zinc/75/89/54/1069758954.db2.gz FROAGTXENFCXTJ-UNMCSNQZSA-N 1 1 493.656 3.994 20 30 JHEDMO CCOc1ccc(O[C@H](C)c2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2cc[nH+]c2C)cc1 ZINC001314195339 1069769081 /nfs/dbraw/zinc/76/90/81/1069769081.db2.gz GEIYCCKSSYADFF-KOSHJBKYSA-N 1 1 467.549 3.854 20 30 JHEDMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@](F)(C#N)C1 ZINC001307053515 1069812931 /nfs/dbraw/zinc/81/29/31/1069812931.db2.gz DDOHSBBAJJCUJE-UUOWRZLLSA-N 1 1 456.566 3.669 20 30 JHEDMO CCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N ZINC001307054858 1069818422 /nfs/dbraw/zinc/81/84/22/1069818422.db2.gz NSLFCJOCIQRRIV-NQIIRXRSSA-N 1 1 472.037 3.864 20 30 JHEDMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 ZINC001307057251 1069832977 /nfs/dbraw/zinc/83/29/77/1069832977.db2.gz XFDBLKCBNWSZAA-XUVXKRRUSA-N 1 1 456.566 3.550 20 30 JHEDMO CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314348109 1070156867 /nfs/dbraw/zinc/15/68/67/1070156867.db2.gz CFLWANSPTQFLQM-OYRHEFFESA-N 1 1 496.656 3.622 20 30 JHEDMO CCOC(=O)c1cnn(C2CC[NH+](CC(=O)N(CCC#N)c3ccc(Cl)c(C)c3)CC2)c1 ZINC001307780898 1070179633 /nfs/dbraw/zinc/17/96/33/1070179633.db2.gz XYMGMEZLFVOGHM-UHFFFAOYSA-N 1 1 457.962 3.605 20 30 JHEDMO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@H]2c3sccc3OC(C)(C)[C@@H]2O)c1C#N ZINC001307792511 1070184608 /nfs/dbraw/zinc/18/46/08/1070184608.db2.gz XANJRXMIWLVWNT-RBBKRZOGSA-N 1 1 450.564 3.829 20 30 JHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4F)C3)CC2)cc1 ZINC001313118760 1070257103 /nfs/dbraw/zinc/25/71/03/1070257103.db2.gz HEZCLKRTJXGHNX-NRFANRHFSA-N 1 1 455.965 3.847 20 30 JHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4F)C3)CC2)cc1 ZINC001313118761 1070257247 /nfs/dbraw/zinc/25/72/47/1070257247.db2.gz HEZCLKRTJXGHNX-OAQYLSRUSA-N 1 1 455.965 3.847 20 30 JHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001307961632 1070259170 /nfs/dbraw/zinc/25/91/70/1070259170.db2.gz HHIBPGCNIOMQDM-CEYNDMKZSA-N 1 1 456.587 3.710 20 30 JHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001307961632 1070259180 /nfs/dbraw/zinc/25/91/80/1070259180.db2.gz HHIBPGCNIOMQDM-CEYNDMKZSA-N 1 1 456.587 3.710 20 30 JHEDMO Cn1ncc(I)c1C[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1 ZINC001308500995 1070382253 /nfs/dbraw/zinc/38/22/53/1070382253.db2.gz XMEHSLXMYFTMGU-UHFFFAOYSA-N 1 1 458.303 3.765 20 30 JHEDMO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H]2OC)C[C@@H]1CC ZINC001314496700 1070418957 /nfs/dbraw/zinc/41/89/57/1070418957.db2.gz RUTIROQHZZHBQT-HJOGWXRNSA-N 1 1 466.630 3.569 20 30 JHEDMO N#Cc1cc(F)c(S(=O)(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)cc1Br ZINC001309002678 1070477564 /nfs/dbraw/zinc/47/75/64/1070477564.db2.gz NMSIXHCJCZWBPE-HNNXBMFYSA-N 1 1 458.378 3.637 20 30 JHEDMO Cc1csc(-c2ccc(S(=O)(=O)NC3CC[NH+](Cc4cccc(C#N)c4)CC3)cc2)n1 ZINC001309634930 1070894816 /nfs/dbraw/zinc/89/48/16/1070894816.db2.gz BLBHHCNCPOWRSF-UHFFFAOYSA-N 1 1 452.605 3.933 20 30 JHEDMO CN(Cc1ccc(Cl)s1)c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+]1CCOCC1 ZINC001314729950 1070945862 /nfs/dbraw/zinc/94/58/62/1070945862.db2.gz MDNTYGCCEMLVFI-UHFFFAOYSA-N 1 1 457.003 3.890 20 30 JHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]2(CCN(S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)C2)O1 ZINC001309801061 1070973480 /nfs/dbraw/zinc/97/34/80/1070973480.db2.gz XYRKSSZTWZNWCS-CJFMBICVSA-N 1 1 453.608 3.542 20 30 JHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@]2(CCN(S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)C2)O1 ZINC001309801061 1070973488 /nfs/dbraw/zinc/97/34/88/1070973488.db2.gz XYRKSSZTWZNWCS-CJFMBICVSA-N 1 1 453.608 3.542 20 30 JHEDMO C[N@@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC001314858794 1071245816 /nfs/dbraw/zinc/24/58/16/1071245816.db2.gz QEQHYHASXPAJAG-HXUWFJFHSA-N 1 1 462.520 3.849 20 30 JHEDMO CC[N@@H+](CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cccc(C#N)c1)C(C)C ZINC001313815618 1071261160 /nfs/dbraw/zinc/26/11/60/1071261160.db2.gz REAOPNFDTRLQKK-UHFFFAOYSA-N 1 1 487.656 3.690 20 30 JHEDMO C[N@@H+](CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1)C1CCCC1 ZINC001314864507 1071263219 /nfs/dbraw/zinc/26/32/19/1071263219.db2.gz BIONEQJYHXQVQF-UQBPGWFLSA-N 1 1 489.640 3.709 20 30 JHEDMO CC[N@@H+](CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1)CCC(F)(F)F ZINC001313818305 1071268015 /nfs/dbraw/zinc/26/80/15/1071268015.db2.gz VDSHFFJBRDYAMJ-FQEVSTJZSA-N 1 1 478.519 3.805 20 30 JHEDMO CC[N@@H+](CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(C)(C#N)CC1)C1CC1 ZINC001313821542 1071283156 /nfs/dbraw/zinc/28/31/56/1071283156.db2.gz DFTVJCHRWBSHAG-KDURUIRLSA-N 1 1 471.650 3.663 20 30 JHEDMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001313891912 1071485417 /nfs/dbraw/zinc/48/54/17/1071485417.db2.gz ALNWJFSQPDHLKH-LAUBAEHRSA-N 1 1 460.424 3.660 20 30 JHEDMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001313897264 1071501774 /nfs/dbraw/zinc/50/17/74/1071501774.db2.gz WQKFXUWPAFNRQA-QFIPXVFZSA-N 1 1 479.629 3.795 20 30 JHEDMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001313897618 1071503472 /nfs/dbraw/zinc/50/34/72/1071503472.db2.gz ZRIGVBFKJTWLBO-GGAORHGYSA-N 1 1 477.657 3.680 20 30 JHEDMO CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC001315028615 1071556487 /nfs/dbraw/zinc/55/64/87/1071556487.db2.gz ICWXMNNVSYDGLZ-QHCPKHFHSA-N 1 1 463.630 3.576 20 30 JHEDMO CC[N@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001313935420 1071606021 /nfs/dbraw/zinc/60/60/21/1071606021.db2.gz ZPRJCGWKVHZJTQ-KNQAVFIVSA-N 1 1 479.629 3.747 20 30 JHEDMO CC[NH+]1CCN(CCCCn2c(CCc3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)CC1 ZINC001313953433 1071648401 /nfs/dbraw/zinc/64/84/01/1071648401.db2.gz DYBYRTPKWUTQRO-HHHXNRCGSA-N 1 1 463.674 3.611 20 30 JHEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001313957272 1071660000 /nfs/dbraw/zinc/66/00/00/1071660000.db2.gz QIKUZPLSBHLXKV-DEOSSOPVSA-N 1 1 493.700 3.878 20 30 JHEDMO CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC001314063133 1071903342 /nfs/dbraw/zinc/90/33/42/1071903342.db2.gz OWQNAQBFGLCAKC-QLBJFCOMSA-N 1 1 480.657 3.815 20 30 JHEDMO CC[C@@H]1CCCC[N@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001306326503 1068764352 /nfs/dbraw/zinc/76/43/52/1068764352.db2.gz YPGAKUQTZHRMJI-RBBKRZOGSA-N 1 1 466.630 3.997 20 30 JHEDMO CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001306455365 1068978354 /nfs/dbraw/zinc/97/83/54/1068978354.db2.gz ZFTZTXOSCQKVTN-GOTSBHOMSA-N 1 1 466.630 3.712 20 30 JHEDMO CCOC(=O)c1c(NC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c(C#N)cn1CC ZINC001310893270 1069212190 /nfs/dbraw/zinc/21/21/90/1069212190.db2.gz ZPXLGRZBWPXVRM-UHFFFAOYSA-N 1 1 457.962 3.950 20 30 JHEDMO CCOC(=O)c1c(NC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c(C#N)cn1CC ZINC001310893270 1069212192 /nfs/dbraw/zinc/21/21/92/1069212192.db2.gz ZPXLGRZBWPXVRM-UHFFFAOYSA-N 1 1 457.962 3.950 20 30 JHEDMO CNC(=O)C[N@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)CC2 ZINC001164690400 719759248 /nfs/dbraw/zinc/75/92/48/719759248.db2.gz BMUGETPVCVTBCK-UHFFFAOYSA-N 1 1 473.955 3.999 20 30 JHEDMO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164693528 719813772 /nfs/dbraw/zinc/81/37/72/719813772.db2.gz WCNAYYIMTBWPFO-IBGZPJMESA-N 1 1 476.606 3.810 20 30 JHEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COC ZINC001164808103 720137954 /nfs/dbraw/zinc/13/79/54/720137954.db2.gz DOWPLSLRWOLOJF-JTSKRJEESA-N 1 1 482.959 3.513 20 30 JHEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccccc1C#N)C2 ZINC001164815283 720197531 /nfs/dbraw/zinc/19/75/31/720197531.db2.gz YHBLTYFHEPZHAM-DVECYGJZSA-N 1 1 453.974 3.979 20 30 JHEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccc(C#N)cc1)C2 ZINC001164812053 720198238 /nfs/dbraw/zinc/19/82/38/720198238.db2.gz KRWWINGOVDKJKQ-CYFREDJKSA-N 1 1 453.974 3.979 20 30 JHEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164746642 720806447 /nfs/dbraw/zinc/80/64/47/720806447.db2.gz MDXYPFKCWRVHTE-UXHICEINSA-N 1 1 482.922 3.950 20 30 JHEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164746642 720806452 /nfs/dbraw/zinc/80/64/52/720806452.db2.gz MDXYPFKCWRVHTE-UXHICEINSA-N 1 1 482.922 3.950 20 30 JHEDMO N#Cc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)cnc2Cl)cc1 ZINC001164742827 720806513 /nfs/dbraw/zinc/80/65/13/720806513.db2.gz FEMKLZFGOAEIQH-PMACEKPBSA-N 1 1 482.922 3.950 20 30 JHEDMO N#Cc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)cnc2Cl)cc1 ZINC001164742827 720806514 /nfs/dbraw/zinc/80/65/14/720806514.db2.gz FEMKLZFGOAEIQH-PMACEKPBSA-N 1 1 482.922 3.950 20 30 JHEDMO N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc1 ZINC001164745318 720858871 /nfs/dbraw/zinc/85/88/71/720858871.db2.gz DBAYMSUBYXASBO-KCZVDYSFSA-N 1 1 490.999 3.765 20 30 JHEDMO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164745429 720860481 /nfs/dbraw/zinc/86/04/81/720860481.db2.gz DLFOIPOQYQXTJR-RADWXHQJSA-N 1 1 465.964 3.870 20 30 JHEDMO COCC[N@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(C#N)cc4)c3)CC[C@H]2C1 ZINC001164856954 720892563 /nfs/dbraw/zinc/89/25/63/720892563.db2.gz INBAKYYACQFKIF-UGKGYDQZSA-N 1 1 476.955 3.992 20 30 JHEDMO N#C[C@@H](c1nc2ccccc2nc1N1CC2(C1)CC[N@@H+](CC1CC1)C2)S(=O)(=O)c1ccccc1 ZINC001164769795 721297691 /nfs/dbraw/zinc/29/76/91/721297691.db2.gz NETSBVDTDZDKEQ-QHCPKHFHSA-N 1 1 473.602 3.590 20 30 JHEDMO N#CC(c1nc2ccccc2nc1N1CC2(C1)CC[N@H+](CC1CC1)C2)S(=O)(=O)c1ccccc1 ZINC001164769795 721297696 /nfs/dbraw/zinc/29/76/96/721297696.db2.gz NETSBVDTDZDKEQ-QHCPKHFHSA-N 1 1 473.602 3.590 20 30 JHEDMO N#CC(c1nc2ccccc2nc1N1CC2(C1)CC[N@@H+](CC1CC1)C2)S(=O)(=O)c1ccccc1 ZINC001164769795 721297701 /nfs/dbraw/zinc/29/77/01/721297701.db2.gz NETSBVDTDZDKEQ-QHCPKHFHSA-N 1 1 473.602 3.590 20 30 JHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(Cl)nc3C#N)C2)C1 ZINC001164779462 721343892 /nfs/dbraw/zinc/34/38/92/721343892.db2.gz UADGLGSFHZRWCI-OAQYLSRUSA-N 1 1 465.932 3.875 20 30 JHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(Cl)nc3C#N)C2)C1 ZINC001164779462 721343893 /nfs/dbraw/zinc/34/38/93/721343893.db2.gz UADGLGSFHZRWCI-OAQYLSRUSA-N 1 1 465.932 3.875 20 30 JHEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc(Cl)nc1C#N)CC2 ZINC001164785290 721455691 /nfs/dbraw/zinc/45/56/91/721455691.db2.gz IGXNXDRJQFMYLH-GOSISDBHSA-N 1 1 468.976 3.885 20 30 JHEDMO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914217 721801780 /nfs/dbraw/zinc/80/17/80/721801780.db2.gz KUIAECVAADIJCC-DEOSSOPVSA-N 1 1 484.387 3.916 20 30 JHEDMO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914217 721801781 /nfs/dbraw/zinc/80/17/81/721801781.db2.gz KUIAECVAADIJCC-DEOSSOPVSA-N 1 1 484.387 3.916 20 30 JHEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c12 ZINC001164914379 721801805 /nfs/dbraw/zinc/80/18/05/721801805.db2.gz MRGAIHJPJLWFCE-RUZDIDTESA-N 1 1 463.969 3.571 20 30 JHEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c12 ZINC001164914379 721801806 /nfs/dbraw/zinc/80/18/06/721801806.db2.gz MRGAIHJPJLWFCE-RUZDIDTESA-N 1 1 463.969 3.571 20 30 JHEDMO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2 ZINC001164914218 721802016 /nfs/dbraw/zinc/80/20/16/721802016.db2.gz KUIAECVAADIJCC-XMMPIXPASA-N 1 1 484.387 3.916 20 30 JHEDMO N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2 ZINC001164914218 721802018 /nfs/dbraw/zinc/80/20/18/721802018.db2.gz KUIAECVAADIJCC-XMMPIXPASA-N 1 1 484.387 3.916 20 30 JHEDMO C[NH+](C)[C@@H]1CCCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001165037840 721895422 /nfs/dbraw/zinc/89/54/22/721895422.db2.gz ZMRVGRGIVHSDEG-UTKZUKDTSA-N 1 1 469.998 3.852 20 30 JHEDMO Cc1nc(C#Cc2ccnc(N3C[C@@H]4C[N@H+](CC5CC5)C[C@H](C3)O4)c2)c(C)n1-c1ccc(F)cc1 ZINC001164966750 722072074 /nfs/dbraw/zinc/07/20/74/722072074.db2.gz ARXBUXCAPPRZPU-WMPKNSHKSA-N 1 1 471.580 3.722 20 30 JHEDMO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164984283 722102748 /nfs/dbraw/zinc/10/27/48/722102748.db2.gz SBROEIYUKBPFNQ-KYPHJKQUSA-N 1 1 454.578 3.563 20 30 JHEDMO CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995565 722210539 /nfs/dbraw/zinc/21/05/39/722210539.db2.gz JSIBSPOFRHBSGI-CPJSRVTESA-N 1 1 451.546 3.809 20 30 JHEDMO CCCCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[N@H+]2CC)CC1 ZINC001306660058 1069378186 /nfs/dbraw/zinc/37/81/86/1069378186.db2.gz HDQNMSHSWYZCGZ-DEOSSOPVSA-N 1 1 477.657 3.824 20 30 JHEDMO CCCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001306682209 1069412544 /nfs/dbraw/zinc/41/25/44/1069412544.db2.gz CVIFEWKXVLSNCP-UHFFFAOYSA-N 1 1 489.624 3.721 20 30 JHEDMO CCCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 ZINC001306684784 1069419974 /nfs/dbraw/zinc/41/99/74/1069419974.db2.gz STZPYRUAYOCBFK-HSZRJFAPSA-N 1 1 460.630 3.741 20 30 JHEDMO CCCC[N@@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 ZINC001306684785 1069420202 /nfs/dbraw/zinc/42/02/02/1069420202.db2.gz STZPYRUAYOCBFK-QHCPKHFHSA-N 1 1 460.630 3.741 20 30 JHEDMO CCCCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC[N@@H+]2CCOC[C@H]2C)cc1OC ZINC001306747394 1069534763 /nfs/dbraw/zinc/53/47/63/1069534763.db2.gz PQPUEGYRMVDMTF-HXUWFJFHSA-N 1 1 482.629 3.593 20 30 JHEDMO CCCCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC[N@H+]2CCOC[C@H]2C)cc1OC ZINC001306747394 1069534769 /nfs/dbraw/zinc/53/47/69/1069534769.db2.gz PQPUEGYRMVDMTF-HXUWFJFHSA-N 1 1 482.629 3.593 20 30 JHEDMO CCCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[N@H+]2CCCC(C)(C)C2)cc1OC ZINC001306748887 1069540206 /nfs/dbraw/zinc/54/02/06/1069540206.db2.gz MSZVTVZPINVPAM-JOCHJYFZSA-N 1 1 496.656 3.983 20 30 JHEDMO CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)C1 ZINC001306783376 1069582508 /nfs/dbraw/zinc/58/25/08/1069582508.db2.gz HCQCVCMUFGZVKX-GGAORHGYSA-N 1 1 461.614 3.881 20 30 JHEDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)C1 ZINC001306783376 1069582510 /nfs/dbraw/zinc/58/25/10/1069582510.db2.gz HCQCVCMUFGZVKX-GGAORHGYSA-N 1 1 461.614 3.881 20 30 JHEDMO CCC[N@@H+](CC)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC#N ZINC001306804370 1069613588 /nfs/dbraw/zinc/61/35/88/1069613588.db2.gz NOHVQTGFIPPIEZ-VQTJNVASSA-N 1 1 461.655 3.863 20 30 JHEDMO CCOc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCN2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC001314175228 1069701006 /nfs/dbraw/zinc/70/10/06/1069701006.db2.gz XZPICUOLIHOTQI-MHZLTWQESA-N 1 1 495.672 3.508 20 30 JHEDMO CCOc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)cc1OC ZINC001314175228 1069701018 /nfs/dbraw/zinc/70/10/18/1069701018.db2.gz XZPICUOLIHOTQI-MHZLTWQESA-N 1 1 495.672 3.508 20 30 JHEDMO CCOc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[N@H+]2CCN(C)C(C)(C)C2)cc1OC ZINC001314175228 1069701028 /nfs/dbraw/zinc/70/10/28/1069701028.db2.gz XZPICUOLIHOTQI-MHZLTWQESA-N 1 1 495.672 3.508 20 30 JHEDMO CCC[N@H+]1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001307032568 1069745624 /nfs/dbraw/zinc/74/56/24/1069745624.db2.gz DXHLNDMAGPOLIH-UYAOXDASSA-N 1 1 475.563 3.621 20 30 JHEDMO CCC[N@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001307037699 1069759081 /nfs/dbraw/zinc/75/90/81/1069759081.db2.gz FROAGTXENFCXTJ-IRLDBZIGSA-N 1 1 493.656 3.994 20 30 JHEDMO CCC[N@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001307040852 1069768466 /nfs/dbraw/zinc/76/84/66/1069768466.db2.gz YTRHLGLJRFNPKS-SFHVURJKSA-N 1 1 474.531 3.896 20 30 JHEDMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@](F)(C#N)C1 ZINC001307053513 1069813423 /nfs/dbraw/zinc/81/34/23/1069813423.db2.gz DDOHSBBAJJCUJE-KOSHJBKYSA-N 1 1 456.566 3.669 20 30 JHEDMO CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCC[N@H+]2CCC[C@@H](C)C2)CC1=O ZINC001307064139 1069865478 /nfs/dbraw/zinc/86/54/78/1069865478.db2.gz LEKRDGZSWGIISG-JOCHJYFZSA-N 1 1 477.657 3.778 20 30 JHEDMO CCN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001312484852 1069964418 /nfs/dbraw/zinc/96/44/18/1069964418.db2.gz CRYMZPYQESLEQT-DCEDVJGZSA-N 1 1 459.594 3.921 20 30 JHEDMO N#Cc1cc2c(n(CC(=O)Nc3ccc(F)cc3Cl)c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC001307372966 1069964737 /nfs/dbraw/zinc/96/47/37/1069964737.db2.gz GGHZQLFSHHOULZ-UHFFFAOYSA-N 1 1 450.901 3.709 20 30 JHEDMO C#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cc1 ZINC001307571432 1070057131 /nfs/dbraw/zinc/05/71/31/1070057131.db2.gz IJVSTZPAIYYMDE-QGZVFWFLSA-N 1 1 455.356 3.505 20 30 JHEDMO C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C[C@H](O)c1cccc(Br)c1 ZINC001307838097 1070206381 /nfs/dbraw/zinc/20/63/81/1070206381.db2.gz ARZIBGOQOJCJND-XLIONFOSSA-N 1 1 451.324 3.652 20 30 JHEDMO C[C@@H](c1cccc(C#N)c1)[N@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001307860674 1070214657 /nfs/dbraw/zinc/21/46/57/1070214657.db2.gz QMLDENGGGGNKOG-IBGZPJMESA-N 1 1 454.596 3.754 20 30 JHEDMO C[C@@H](c1cccc(C#N)c1)[N@@H+](C)CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC001307860674 1070214668 /nfs/dbraw/zinc/21/46/68/1070214668.db2.gz QMLDENGGGGNKOG-IBGZPJMESA-N 1 1 454.596 3.754 20 30 JHEDMO COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)c1C#N ZINC001307884516 1070223699 /nfs/dbraw/zinc/22/36/99/1070223699.db2.gz BADDDFNNTHSSPZ-QIJUGHKUSA-N 1 1 457.571 3.772 20 30 JHEDMO COC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)c1C#N ZINC001307884516 1070223711 /nfs/dbraw/zinc/22/37/11/1070223711.db2.gz BADDDFNNTHSSPZ-QIJUGHKUSA-N 1 1 457.571 3.772 20 30 JHEDMO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](C[C@](C)(O)C(F)(F)C(F)(F)F)CC[C@@H]1C(F)(F)F ZINC001307939069 1070250427 /nfs/dbraw/zinc/25/04/27/1070250427.db2.gz PGSRVMSBDTURBR-SUNKGSAMSA-N 1 1 458.390 3.960 20 30 JHEDMO Cc1nsc(N2CCN(C(=O)N[C@@H]3CCCCC[N@@H+](Cc4ccccc4)C3)CC2)c1C#N ZINC001313138484 1070266430 /nfs/dbraw/zinc/26/64/30/1070266430.db2.gz JFLCGNIXEYLLPW-OAQYLSRUSA-N 1 1 452.628 3.600 20 30 JHEDMO N#CCc1ccc(OC[C@@H](O)C[N@H+]2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc1 ZINC001308124880 1070322118 /nfs/dbraw/zinc/32/21/18/1070322118.db2.gz QLWUSCPDOMHYBB-AEGPPILISA-N 1 1 458.349 3.595 20 30 JHEDMO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCO[C@@H](C)C2)C[C@H]1CC ZINC001314496494 1070417940 /nfs/dbraw/zinc/41/79/40/1070417940.db2.gz RJYHPYLSURGGDA-SGIRGMQISA-N 1 1 480.657 3.959 20 30 JHEDMO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccco1)[NH+]1CCCC1 ZINC001314515463 1070486167 /nfs/dbraw/zinc/48/61/67/1070486167.db2.gz HFMOXUXEOIXNLU-SIKLNZKXSA-N 1 1 496.637 3.506 20 30 JHEDMO CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001313479504 1070491008 /nfs/dbraw/zinc/49/10/08/1070491008.db2.gz VGGVRQYZJNQOOX-GGAORHGYSA-N 1 1 477.657 3.824 20 30 JHEDMO CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(CC[NH+](C)C)CC2)CC1 ZINC001313520663 1070586809 /nfs/dbraw/zinc/58/68/09/1070586809.db2.gz FISBGZAYMLJYEG-AREMUKBSSA-N 1 1 493.700 3.876 20 30 JHEDMO CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001313521727 1070589559 /nfs/dbraw/zinc/58/95/59/1070589559.db2.gz PFXGYCDXQIQKKP-QHCPKHFHSA-N 1 1 466.630 3.713 20 30 JHEDMO CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001313521727 1070589568 /nfs/dbraw/zinc/58/95/68/1070589568.db2.gz PFXGYCDXQIQKKP-QHCPKHFHSA-N 1 1 466.630 3.713 20 30 JHEDMO C[NH+](C)CCN1CCC(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)CC1 ZINC001314671994 1070816170 /nfs/dbraw/zinc/81/61/70/1070816170.db2.gz OGBGLDQCANWBCN-UHFFFAOYSA-N 1 1 486.064 3.524 20 30 JHEDMO CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC[N@H+]1CCCC(C)(C)C1 ZINC001314730053 1070946709 /nfs/dbraw/zinc/94/67/09/1070946709.db2.gz SAOPWZNFQRIEIM-UHFFFAOYSA-N 1 1 472.597 3.555 20 30 JHEDMO CC[N@@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@](C)(C#N)C1)C(C)C ZINC001313805115 1071218774 /nfs/dbraw/zinc/21/87/74/1071218774.db2.gz NHQGXDVYOCPEGE-OAQYLSRUSA-N 1 1 462.440 3.906 20 30 JHEDMO CC[N@@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1)CCC(F)(F)F ZINC001313806847 1071226736 /nfs/dbraw/zinc/22/67/36/1071226736.db2.gz ZTTQWHOAUHPMTH-FXAWDEMLSA-N 1 1 464.536 3.952 20 30 JHEDMO CC[N@H+](CCn1c(CCCc2ccccc2)nnc1N1CCc2[nH]c(=O)c(C#N)cc2C1)C(C)C ZINC001313820322 1071276020 /nfs/dbraw/zinc/27/60/20/1071276020.db2.gz UQPJDTWWPQITEH-UHFFFAOYSA-N 1 1 473.625 3.719 20 30 JHEDMO CC[N@@H+](CCn1c(CCCc2ccccc2)nnc1N1CCc2[nH]c(=O)c(C#N)cc2C1)C(C)C ZINC001313820322 1071276031 /nfs/dbraw/zinc/27/60/31/1071276031.db2.gz UQPJDTWWPQITEH-UHFFFAOYSA-N 1 1 473.625 3.719 20 30 JHEDMO Cn1cc(CCCn2c(CC(C)(C)C)nnc2N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC001314904552 1071342538 /nfs/dbraw/zinc/34/25/38/1071342538.db2.gz YTTOZHUORNNGAC-UHFFFAOYSA-N 1 1 474.657 3.817 20 30 JHEDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313869024 1071407464 /nfs/dbraw/zinc/40/74/64/1071407464.db2.gz PLUUHPGBNHISLH-MSOLQXFVSA-N 1 1 463.552 3.620 20 30 JHEDMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)CCC(C)C)C[C@@H]1C ZINC001313874192 1071427925 /nfs/dbraw/zinc/42/79/25/1071427925.db2.gz GUGKZKKMZCTQPV-ISJBWFOZSA-N 1 1 468.646 3.835 20 30 JHEDMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCCC2(C)C)C[C@@H]1C ZINC001313879117 1071447735 /nfs/dbraw/zinc/44/77/35/1071447735.db2.gz XXBNFCANPIOPNQ-CUVVAGTFSA-N 1 1 466.630 3.589 20 30 JHEDMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2Cl)C[C@@H]1C ZINC001313879377 1071449272 /nfs/dbraw/zinc/44/92/72/1071449272.db2.gz ZOUGEONCFVYQSW-OALUTQOASA-N 1 1 496.015 3.775 20 30 JHEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2Cl)C[C@@H]1C ZINC001313879379 1071449961 /nfs/dbraw/zinc/44/99/61/1071449961.db2.gz ZOUGEONCFVYQSW-RBUKOAKNSA-N 1 1 496.015 3.775 20 30 JHEDMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001313886041 1071468312 /nfs/dbraw/zinc/46/83/12/1071468312.db2.gz LBNQBWUWGQHLLY-MHECFPHRSA-N 1 1 456.566 3.525 20 30 JHEDMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313895890 1071498833 /nfs/dbraw/zinc/49/88/33/1071498833.db2.gz LJVWHDVMXOVKSU-YADHBBJMSA-N 1 1 479.629 3.795 20 30 JHEDMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001313907986 1071528809 /nfs/dbraw/zinc/52/88/09/1071528809.db2.gz KYXGLDYYYKLZDF-PKTZIBPZSA-N 1 1 477.657 3.822 20 30 JHEDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001313920786 1071560022 /nfs/dbraw/zinc/56/00/22/1071560022.db2.gz MJGXRVGKRWZDOK-VQTJNVASSA-N 1 1 469.703 3.897 20 30 JHEDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001313920788 1071560067 /nfs/dbraw/zinc/56/00/67/1071560067.db2.gz MJGXRVGKRWZDOK-WOJBJXKFSA-N 1 1 469.703 3.897 20 30 JHEDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001313922484 1071564488 /nfs/dbraw/zinc/56/44/88/1071564488.db2.gz WTRXMHHYLHNROM-FYYLOGMGSA-N 1 1 488.684 3.975 20 30 JHEDMO CC[N@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C ZINC001313932770 1071596112 /nfs/dbraw/zinc/59/61/12/1071596112.db2.gz MAUCQQGJGFJYHB-FQEVSTJZSA-N 1 1 491.640 3.914 20 30 JHEDMO CC[N@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313935421 1071605986 /nfs/dbraw/zinc/60/59/86/1071605986.db2.gz ZPRJCGWKVHZJTQ-SIKLNZKXSA-N 1 1 479.629 3.747 20 30 JHEDMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCSCC(C)C)C2)CC1 ZINC001313944436 1071625054 /nfs/dbraw/zinc/62/50/54/1071625054.db2.gz CAMBOZSGPWLBGR-XMMPIXPASA-N 1 1 481.714 3.812 20 30 JHEDMO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001314012876 1071749162 /nfs/dbraw/zinc/74/91/62/1071749162.db2.gz AKQGZSQFQCGNOU-QFIPXVFZSA-N 1 1 493.656 3.994 20 30 JHEDMO CCc1ccc(-c2nnc(N3CCc4[nH]c(=O)c(C#N)cc4C3)n2CC(C)(C)C[NH+](C)C)cc1 ZINC001305938840 1068245733 /nfs/dbraw/zinc/24/57/33/1068245733.db2.gz JSEOJWGMZBOKGJ-UHFFFAOYSA-N 1 1 459.598 3.630 20 30 JHEDMO CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001305941329 1068250496 /nfs/dbraw/zinc/25/04/96/1068250496.db2.gz QKAXGDRTMMZZME-WNCULLNHSA-N 1 1 477.657 3.580 20 30 JHEDMO CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)cs1 ZINC001306025626 1068420246 /nfs/dbraw/zinc/42/02/46/1068420246.db2.gz OXVIBYTUSKCCLS-SFHVURJKSA-N 1 1 465.627 3.521 20 30 JHEDMO CC[C@@H]1CCCC[N@H+]1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 ZINC001306318991 1068743328 /nfs/dbraw/zinc/74/33/28/1068743328.db2.gz QJKYIPFRTBPCCW-AQNXPRMDSA-N 1 1 456.566 3.550 20 30 JHEDMO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+](CC)CCC(F)(F)F)CCO1 ZINC001306404703 1068870466 /nfs/dbraw/zinc/87/04/66/1068870466.db2.gz LHTNSUORCNWMAM-LJQANCHMSA-N 1 1 450.509 3.706 20 30 JHEDMO CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2sc(C)nc2C)CC[N@H+]1CCOC ZINC001306405457 1068873701 /nfs/dbraw/zinc/87/37/01/1068873701.db2.gz OQJFTNWGDMUFKD-QFIPXVFZSA-N 1 1 479.654 3.680 20 30 JHEDMO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSC(C)C)C[C@@H]1[NH+]1CCOCC1 ZINC001306406386 1068876217 /nfs/dbraw/zinc/87/62/17/1068876217.db2.gz XPHNKBDVJKPEGJ-IRLDBZIGSA-N 1 1 454.644 3.505 20 30 JHEDMO CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001306455363 1068977911 /nfs/dbraw/zinc/97/79/11/1068977911.db2.gz ZFTZTXOSCQKVTN-DHIUTWEWSA-N 1 1 466.630 3.712 20 30 JHEDMO CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)CCO1 ZINC001306455369 1068978559 /nfs/dbraw/zinc/97/85/59/1068978559.db2.gz ZFTZTXOSCQKVTN-XZOQPEGZSA-N 1 1 466.630 3.712 20 30 JHEDMO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)[C@@H](C)[C@H]2C)cc1 ZINC001310557088 1069015953 /nfs/dbraw/zinc/01/59/53/1069015953.db2.gz MTRQNEIHZGEQAT-ZGXWSNOMSA-N 1 1 454.596 3.888 20 30 JHEDMO CCC[C@](C)(O)Cn1c(CC2CCCC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001306551081 1069214793 /nfs/dbraw/zinc/21/47/93/1069214793.db2.gz UWLOFCPOVNNZAH-SANMLTNESA-N 1 1 450.631 3.756 20 30 JHEDMO CCC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1)OC ZINC001306591625 1069261497 /nfs/dbraw/zinc/26/14/97/1069261497.db2.gz XRWWONLFHBBVDI-DEOSSOPVSA-N 1 1 459.598 3.739 20 30 JHEDMO COc1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(C#N)c(Cl)n1 ZINC001164833700 720563974 /nfs/dbraw/zinc/56/39/74/720563974.db2.gz BELSVKUXUPEVFE-TXPKVOOTSA-N 1 1 464.948 3.734 20 30 JHEDMO N#Cc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)cnc2Cl)cc1 ZINC001164742831 720806943 /nfs/dbraw/zinc/80/69/43/720806943.db2.gz FEMKLZFGOAEIQH-WOJBJXKFSA-N 1 1 482.922 3.950 20 30 JHEDMO N#Cc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)cnc2Cl)cc1 ZINC001164742831 720806945 /nfs/dbraw/zinc/80/69/45/720806945.db2.gz FEMKLZFGOAEIQH-WOJBJXKFSA-N 1 1 482.922 3.950 20 30 JHEDMO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164743495 720811754 /nfs/dbraw/zinc/81/17/54/720811754.db2.gz GEQUIMBRCURAFN-IIDMSEBBSA-N 1 1 482.366 3.776 20 30 JHEDMO N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164744728 720858236 /nfs/dbraw/zinc/85/82/36/720858236.db2.gz CFYPOSWUZHAFAI-RZUBCFFCSA-N 1 1 490.999 3.765 20 30 JHEDMO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866425 721197281 /nfs/dbraw/zinc/19/72/81/721197281.db2.gz ADQZUWMTPPTVAV-JKSUJKDBSA-N 1 1 455.896 3.913 20 30 JHEDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cc(F)c(C#N)cc4-c4ccnc(Cl)n4)C3)O2)CC1 ZINC001164886310 721414707 /nfs/dbraw/zinc/41/47/07/721414707.db2.gz IXHAFISSORGRBH-KBMIEXCESA-N 1 1 485.007 3.573 20 30 JHEDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc5cc(F)ccc5c(Cl)c4C#N)C3)O2)CC1 ZINC001164890004 721452759 /nfs/dbraw/zinc/45/27/59/721452759.db2.gz QDHOEYRWZLOISP-HOYKHHGWSA-N 1 1 457.981 3.664 20 30 JHEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165017808 721807213 /nfs/dbraw/zinc/80/72/13/721807213.db2.gz ASTJUFZPZGEIMG-ORYQWCPZSA-N 1 1 453.974 3.915 20 30 JHEDMO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982818 722101756 /nfs/dbraw/zinc/10/17/56/722101756.db2.gz PETTULMLBLRXNE-YJBOKZPZSA-N 1 1 468.335 3.927 20 30 JHEDMO CCCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 ZINC001306682376 1069413312 /nfs/dbraw/zinc/41/33/12/1069413312.db2.gz FIOACJJAHCYISH-UHFFFAOYSA-N 1 1 489.624 3.849 20 30 JHEDMO CCCCOc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1OC ZINC001306747840 1069536233 /nfs/dbraw/zinc/53/62/33/1069536233.db2.gz WERIHNIKQIMDAK-ZBLYBZFDSA-N 1 1 496.656 3.983 20 30 JHEDMO CCC[N@@H+](CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC001306801788 1069606927 /nfs/dbraw/zinc/60/69/27/1069606927.db2.gz ARGFVOQUCVGFSS-HSZRJFAPSA-N 1 1 475.645 3.674 20 30 JHEDMO CCC[N@@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 ZINC001306806638 1069619469 /nfs/dbraw/zinc/61/94/69/1069619469.db2.gz HPKPHNAQFNQDLE-UHFFFAOYSA-N 1 1 484.530 3.920 20 30 JHEDMO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](CC)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001312009971 1069666510 /nfs/dbraw/zinc/66/65/10/1069666510.db2.gz OHPKUYZYXUYUJR-QLBJFCOMSA-N 1 1 450.583 3.846 20 30 JHEDMO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](CC)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001312009971 1069666516 /nfs/dbraw/zinc/66/65/16/1069666516.db2.gz OHPKUYZYXUYUJR-QLBJFCOMSA-N 1 1 450.583 3.846 20 30 JHEDMO CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCC[N@H+]2CCC[C@H](C)C2)CC1=O ZINC001307064140 1069865093 /nfs/dbraw/zinc/86/50/93/1069865093.db2.gz LEKRDGZSWGIISG-QFIPXVFZSA-N 1 1 477.657 3.778 20 30 JHEDMO CCOC1CC(Cn2c(-c3cccc(C#N)c3)nnc2N(CC(C)C)C(C)C)([NH+]2CCOCC2)C1 ZINC001314240748 1069942405 /nfs/dbraw/zinc/94/24/05/1069942405.db2.gz UWPOSCVRLDANPW-UHFFFAOYSA-N 1 1 480.657 3.957 20 30 JHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001307472782 1070005492 /nfs/dbraw/zinc/00/54/92/1070005492.db2.gz OPXHRWUISCOZGV-SUMWQHHRSA-N 1 1 455.864 3.929 20 30 JHEDMO C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001307472782 1070005508 /nfs/dbraw/zinc/00/55/08/1070005508.db2.gz OPXHRWUISCOZGV-SUMWQHHRSA-N 1 1 455.864 3.929 20 30 JHEDMO CCOC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001314417737 1070285177 /nfs/dbraw/zinc/28/51/77/1070285177.db2.gz FIQJEPYGOKHOJU-GGAORHGYSA-N 1 1 466.630 3.571 20 30 JHEDMO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[N@@H+](Cc2ccccc2)CCOCC1 ZINC001308107152 1070313641 /nfs/dbraw/zinc/31/36/41/1070313641.db2.gz JLFWEFQXSKSECN-QFIPXVFZSA-N 1 1 452.574 3.685 20 30 JHEDMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001313460070 1070408714 /nfs/dbraw/zinc/40/87/14/1070408714.db2.gz MPGFIXPAFAMGPT-XZOQPEGZSA-N 1 1 477.657 3.680 20 30 JHEDMO CCOCC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001314499017 1070426212 /nfs/dbraw/zinc/42/62/12/1070426212.db2.gz VMTFULNRIAPBOE-NRFANRHFSA-N 1 1 488.583 3.713 20 30 JHEDMO CCCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCC[N@H+]2CC)cc1OC ZINC001313504751 1070540028 /nfs/dbraw/zinc/54/00/28/1070540028.db2.gz KGBJQSHQHVEDMO-CYFREDJKSA-N 1 1 456.566 3.669 20 30 JHEDMO C[N@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)cc(C#N)c2)[C@H]1c1cccs1 ZINC001309221383 1070621047 /nfs/dbraw/zinc/62/10/47/1070621047.db2.gz ZWSKZTKQIHXTQS-KSSFIOAISA-N 1 1 454.415 3.744 20 30 JHEDMO CC(C)C1CCC([NH+]2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC2)CC1 ZINC001309264934 1070655391 /nfs/dbraw/zinc/65/53/91/1070655391.db2.gz CJECDEQIVCBEIK-UHFFFAOYSA-N 1 1 454.434 3.842 20 30 JHEDMO CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC001314629015 1070726239 /nfs/dbraw/zinc/72/62/39/1070726239.db2.gz TWJIVNDJZUCMAR-QHCPKHFHSA-N 1 1 477.657 3.632 20 30 JHEDMO CN(Cc1ccc(Br)o1)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001314725308 1070929349 /nfs/dbraw/zinc/92/93/49/1070929349.db2.gz ASSWHXYLIQYBOD-UHFFFAOYSA-N 1 1 499.413 3.919 20 30 JHEDMO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC001313701129 1070979295 /nfs/dbraw/zinc/97/92/95/1070979295.db2.gz BNOIPGDKGUWGNX-AKFKNWHVSA-N 1 1 493.700 3.873 20 30 JHEDMO CC[N@@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1)C(C)C ZINC001313804501 1071215287 /nfs/dbraw/zinc/21/52/87/1071215287.db2.gz AZBFIZAYKVNENN-UHFFFAOYSA-N 1 1 458.614 3.571 20 30 JHEDMO CC[N@@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1)C(C)C ZINC001313806609 1071225079 /nfs/dbraw/zinc/22/50/79/1071225079.db2.gz VVAWVKDGGBOORW-FQEVSTJZSA-N 1 1 478.670 3.887 20 30 JHEDMO CC[N@@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C(C)C ZINC001313807337 1071228193 /nfs/dbraw/zinc/22/81/93/1071228193.db2.gz KKKNGKRXSFFQEV-QFIPXVFZSA-N 1 1 479.673 3.926 20 30 JHEDMO CC[N@@H+](CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)[C@@H](C)CC#N)C(C)C ZINC001313809297 1071236731 /nfs/dbraw/zinc/23/67/31/1071236731.db2.gz JQHXRVLKJBEFIM-IBGZPJMESA-N 1 1 464.618 3.705 20 30 JHEDMO CC[N@@H+](CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCC(C#N)CC1)C(C)C ZINC001313810612 1071242005 /nfs/dbraw/zinc/24/20/05/1071242005.db2.gz VUBZYXVKHOVYAM-UHFFFAOYSA-N 1 1 476.629 3.706 20 30 JHEDMO C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C1 ZINC001310351016 1071331159 /nfs/dbraw/zinc/33/11/59/1071331159.db2.gz POPZAZGFCODKIU-QHCPKHFHSA-N 1 1 456.550 3.683 20 30 JHEDMO C[N@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C1 ZINC001310351016 1071331175 /nfs/dbraw/zinc/33/11/75/1071331175.db2.gz POPZAZGFCODKIU-QHCPKHFHSA-N 1 1 456.550 3.683 20 30 JHEDMO Cn1cccc1-c1nnc(N2CC[NH+](Cc3ccc(C#N)cc3)CC2)n1CCCC(F)(F)F ZINC001314915781 1071357813 /nfs/dbraw/zinc/35/78/13/1071357813.db2.gz SEXBNEZFPIEIRO-UHFFFAOYSA-N 1 1 457.504 3.820 20 30 JHEDMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CC#N)CC1 ZINC001313895140 1071495715 /nfs/dbraw/zinc/49/57/15/1071495715.db2.gz YTGCPAHQDVSXEL-SFHVURJKSA-N 1 1 460.424 3.660 20 30 JHEDMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(CCC#N)CCOC ZINC001313907341 1071527178 /nfs/dbraw/zinc/52/71/78/1071527178.db2.gz BZWYBYDSLJYDLK-FQEVSTJZSA-N 1 1 475.435 3.948 20 30 JHEDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001313927049 1071578904 /nfs/dbraw/zinc/57/89/04/1071578904.db2.gz YZDYORZYGUHTTH-IBGZPJMESA-N 1 1 479.032 3.528 20 30 JHEDMO CC[N@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@@H]1C ZINC001313931109 1071591228 /nfs/dbraw/zinc/59/12/28/1071591228.db2.gz HDVKROMJQWKGMZ-IBGZPJMESA-N 1 1 479.629 3.747 20 30 JHEDMO CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@@H]1C ZINC001313942408 1071620324 /nfs/dbraw/zinc/62/03/24/1071620324.db2.gz IWKPILKLZGIRIY-WMZHIEFXSA-N 1 1 479.654 3.624 20 30 JHEDMO CC[N@@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccsc2)N(C)C)C[C@@H]1C ZINC001313942408 1071620327 /nfs/dbraw/zinc/62/03/27/1071620327.db2.gz IWKPILKLZGIRIY-WMZHIEFXSA-N 1 1 479.654 3.624 20 30 JHEDMO CC[N@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccsc2)N(C)C)C[C@@H]1C ZINC001313942408 1071620328 /nfs/dbraw/zinc/62/03/28/1071620328.db2.gz IWKPILKLZGIRIY-WMZHIEFXSA-N 1 1 479.654 3.624 20 30 JHEDMO CC[N@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C(C)(C)C)no2)C[C@@H]1C ZINC001313943515 1071623272 /nfs/dbraw/zinc/62/32/72/1071623272.db2.gz SJOSHIKLTCVREO-SFHVURJKSA-N 1 1 463.586 3.593 20 30 JHEDMO CC[NH+]1CCN(CCCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313953155 1071647813 /nfs/dbraw/zinc/64/78/13/1071647813.db2.gz BSCOJRFFACRJTO-HSZRJFAPSA-N 1 1 479.673 3.773 20 30 JHEDMO CCNC(=O)C(C)(C)Cn1c([C@H](C)CC)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001313963865 1071679075 /nfs/dbraw/zinc/67/90/75/1071679075.db2.gz ORKVLIAARHPBCN-HXUWFJFHSA-N 1 1 465.646 3.538 20 30 JHEDMO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+](C)[C@H](C)CC)CC1 ZINC001314013467 1071750538 /nfs/dbraw/zinc/75/05/38/1071750538.db2.gz FXHNDUPJHDTYFD-LJQANCHMSA-N 1 1 467.618 3.604 20 30 JHEDMO CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001314113485 1072009480 /nfs/dbraw/zinc/00/94/80/1072009480.db2.gz PLGNGCSUVZMZEF-YZIHRLCOSA-N 1 1 472.678 3.817 20 30 JHEDMO CCc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001305941327 1068250312 /nfs/dbraw/zinc/25/03/12/1068250312.db2.gz QKAXGDRTMMZZME-HOFKKMOUSA-N 1 1 477.657 3.580 20 30 JHEDMO CCc1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1Cc1cccnc1OCC(F)(F)F ZINC001306181192 1068573011 /nfs/dbraw/zinc/57/30/11/1068573011.db2.gz VZSIXFIZGAZOEH-UHFFFAOYSA-N 1 1 499.541 3.809 20 30 JHEDMO CCc1nsc(N2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCC[N@@H+](C)C(C)C)CC2)n1 ZINC001306240121 1068638132 /nfs/dbraw/zinc/63/81/32/1068638132.db2.gz XCOAOFKOPSXLMW-UHFFFAOYSA-N 1 1 493.685 3.678 20 30 JHEDMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001306320279 1068748747 /nfs/dbraw/zinc/74/87/47/1068748747.db2.gz SQIGZYKTYBZLCT-BJKOFHAPSA-N 1 1 466.630 3.711 20 30 JHEDMO CC[C@H]1CCCC[N@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 ZINC001306326556 1068765026 /nfs/dbraw/zinc/76/50/26/1068765026.db2.gz ZNRYFRHAAZQXDK-JTHBVZDNSA-N 1 1 452.603 3.608 20 30 JHEDMO CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCS1 ZINC001306405769 1068874342 /nfs/dbraw/zinc/87/43/42/1068874342.db2.gz RMIRNYXPBOTESQ-JQVVWYNYSA-N 1 1 454.644 3.648 20 30 JHEDMO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC001310556620 1069015295 /nfs/dbraw/zinc/01/52/95/1069015295.db2.gz MAAMIBFDWOISAW-SIKLNZKXSA-N 1 1 454.596 3.891 20 30 JHEDMO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001306498305 1069049391 /nfs/dbraw/zinc/04/93/91/1069049391.db2.gz OBAHHFMBMGYUAF-AWRGLXIESA-N 1 1 477.657 3.822 20 30 JHEDMO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCCC[C@@H]2CC)C1 ZINC001306498698 1069051114 /nfs/dbraw/zinc/05/11/14/1069051114.db2.gz KXOQYPDHTDWPGA-ZEQRLZLVSA-N 1 1 477.657 3.966 20 30 JHEDMO CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC001306551468 1069215299 /nfs/dbraw/zinc/21/52/99/1069215299.db2.gz XVSGDECOERYXKN-LEWJYISDSA-N 1 1 477.657 3.680 20 30 JHEDMO COCCN1CC[N@H+](C)C2(CCN(c3ncc(C#N)c4sc(-c5ccccc5)cc43)CC2)C1=O ZINC001164640047 719275653 /nfs/dbraw/zinc/27/56/53/719275653.db2.gz NBLGRPQCGMKBKY-UHFFFAOYSA-N 1 1 475.618 3.594 20 30 JHEDMO COCCN1CC[N@@H+](C)C2(CCN(c3ncc(C#N)c4sc(-c5ccccc5)cc43)CC2)C1=O ZINC001164640047 719275656 /nfs/dbraw/zinc/27/56/56/719275656.db2.gz NBLGRPQCGMKBKY-UHFFFAOYSA-N 1 1 475.618 3.594 20 30 JHEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C#N)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164712730 720133258 /nfs/dbraw/zinc/13/32/58/720133258.db2.gz OSDNYDYUMXLQNF-JOCHJYFZSA-N 1 1 476.625 3.840 20 30 JHEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1cccc(C#N)c1)C2 ZINC001164811959 720198265 /nfs/dbraw/zinc/19/82/65/720198265.db2.gz KNEATWWWHXYVGW-DVECYGJZSA-N 1 1 453.974 3.979 20 30 JHEDMO COc1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(C#N)c(Cl)n1 ZINC001164833695 720563018 /nfs/dbraw/zinc/56/30/18/720563018.db2.gz BELSVKUXUPEVFE-GPMSIDNRSA-N 1 1 464.948 3.734 20 30 JHEDMO CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc([C@@H](C#N)c4ccccc4F)nn3)CC[C@@H]21 ZINC001164838514 720566726 /nfs/dbraw/zinc/56/67/26/720566726.db2.gz OFGNTJHWPUQZCH-AWZJCTCXSA-N 1 1 459.573 3.845 20 30 JHEDMO 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C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4cccc(C#N)c4)C3)O2)CC1 ZINC001164887370 721450139 /nfs/dbraw/zinc/45/01/39/721450139.db2.gz JVUOMVYSWAOPAR-PXDATVDWSA-N 1 1 483.016 3.559 20 30 JHEDMO Cc1ccc2nc(N3CC[C@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c(C#N)c(Cl)c2c1 ZINC001164889116 721453888 /nfs/dbraw/zinc/45/38/88/721453888.db2.gz NQVVGHQGGVOAOG-CLOONOSVSA-N 1 1 454.018 3.834 20 30 JHEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c12 ZINC001164890356 721453920 /nfs/dbraw/zinc/45/39/20/721453920.db2.gz REAAGZZKLOECOU-AVRWGWEMSA-N 1 1 472.008 3.973 20 30 JHEDMO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC2(CC([N@@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796706 721500765 /nfs/dbraw/zinc/50/07/65/721500765.db2.gz WALKNRAPPKLLCC-NRFANRHFSA-N 1 1 470.577 3.686 20 30 JHEDMO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028274 721824401 /nfs/dbraw/zinc/82/44/01/721824401.db2.gz VBFYNKGIXUBCHV-UQWVPHONSA-N 1 1 470.577 3.542 20 30 JHEDMO CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CCCC[C@H]2CC)CCO1 ZINC001306633268 1069335639 /nfs/dbraw/zinc/33/56/39/1069335639.db2.gz RULXSOHNHBATSE-ISKFKSNPSA-N 1 1 466.630 3.999 20 30 JHEDMO CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CCCC[C@H]2CC)CCO1 ZINC001306633271 1069336583 /nfs/dbraw/zinc/33/65/83/1069336583.db2.gz RULXSOHNHBATSE-VWNXMTODSA-N 1 1 466.630 3.999 20 30 JHEDMO CCCC[N@@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001306681681 1069411321 /nfs/dbraw/zinc/41/13/21/1069411321.db2.gz QSHGKEZVPAHJTE-OAQYLSRUSA-N 1 1 462.440 3.908 20 30 JHEDMO CCCC[N@@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001306682046 1069412385 /nfs/dbraw/zinc/41/23/85/1069412385.db2.gz ANMANVSCTPQCMD-OAQYLSRUSA-N 1 1 467.618 3.652 20 30 JHEDMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001306723151 1069462249 /nfs/dbraw/zinc/46/22/49/1069462249.db2.gz QHUPSJPCQPKXJZ-DEOSSOPVSA-N 1 1 477.657 3.776 20 30 JHEDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)C1 ZINC001306788564 1069593596 /nfs/dbraw/zinc/59/35/96/1069593596.db2.gz KYYWBGZRCPLAHR-IFMALSPDSA-N 1 1 486.711 3.745 20 30 JHEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)C1 ZINC001306788569 1069594132 /nfs/dbraw/zinc/59/41/32/1069594132.db2.gz KYYWBGZRCPLAHR-RBBKRZOGSA-N 1 1 486.711 3.745 20 30 JHEDMO CCC[N@H+]1CC[C@H](Cn2c(CC(C)C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC001307038217 1069760881 /nfs/dbraw/zinc/76/08/81/1069760881.db2.gz CFCXPGVJBCKABM-NRFANRHFSA-N 1 1 453.610 3.546 20 30 JHEDMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC001307054940 1069818825 /nfs/dbraw/zinc/81/88/25/1069818825.db2.gz MHZXQYKLDMKBBP-XZOQPEGZSA-N 1 1 463.630 3.576 20 30 JHEDMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001307057075 1069831810 /nfs/dbraw/zinc/83/18/10/1069831810.db2.gz VJTLHGJYPBGTQK-RPWUZVMVSA-N 1 1 466.630 3.711 20 30 JHEDMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N(C)[C@H](C)CC#N ZINC001307063296 1069863137 /nfs/dbraw/zinc/86/31/37/1069863137.db2.gz PQXUQVVQJGSDQS-UXHICEINSA-N 1 1 476.629 3.678 20 30 JHEDMO CCOC1CC(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)[N@@H+](CC)C[C@H]2C)C1 ZINC001314237702 1069935987 /nfs/dbraw/zinc/93/59/87/1069935987.db2.gz FVZBGPGIHHWWRW-MICDNJKTSA-N 1 1 466.630 3.853 20 30 JHEDMO C[N@H+]1Cc2ccccc2[C@H](NC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC001312443607 1069941315 /nfs/dbraw/zinc/94/13/15/1069941315.db2.gz UWVMWKIRFRCFGF-MGPQQGTHSA-N 1 1 457.365 3.986 20 30 JHEDMO C[N@@H+]1Cc2ccccc2[C@H](NC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC001312443607 1069941322 /nfs/dbraw/zinc/94/13/22/1069941322.db2.gz UWVMWKIRFRCFGF-MGPQQGTHSA-N 1 1 457.365 3.986 20 30 JHEDMO CC(C)[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)C[C@H](O)COc1cccc2ccccc21 ZINC001307458657 1069996720 /nfs/dbraw/zinc/99/67/20/1069996720.db2.gz JIIGFXAUHVAARY-QFIPXVFZSA-N 1 1 456.542 3.590 20 30 JHEDMO COc1ccc(C[N@@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C(C)(C)C)cc1 ZINC001307815363 1070196084 /nfs/dbraw/zinc/19/60/84/1070196084.db2.gz NICWAIBYAXQWQI-DEOSSOPVSA-N 1 1 452.574 3.844 20 30 JHEDMO CCOCc1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CC[C@@](C)(CC)O1 ZINC001314377639 1070219525 /nfs/dbraw/zinc/21/95/25/1070219525.db2.gz FZDFDZOPRZOPJB-ZEQKJWHPSA-N 1 1 466.630 3.746 20 30 JHEDMO CCOCc1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(C)CCCS1 ZINC001314378212 1070220839 /nfs/dbraw/zinc/22/08/39/1070220839.db2.gz JJXLSGOYTVGTJJ-XMMPIXPASA-N 1 1 454.644 3.684 20 30 JHEDMO COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)c1C#N ZINC001307884515 1070224321 /nfs/dbraw/zinc/22/43/21/1070224321.db2.gz BADDDFNNTHSSPZ-BWAGFHJFSA-N 1 1 457.571 3.772 20 30 JHEDMO COC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)c1C#N ZINC001307884515 1070224330 /nfs/dbraw/zinc/22/43/30/1070224330.db2.gz BADDDFNNTHSSPZ-BWAGFHJFSA-N 1 1 457.571 3.772 20 30 JHEDMO CC(C)(C)OC(=O)N1CC[C@H](c2cccc(F)c2)[C@H]([NH2+][C@H](C(N)=O)c2ccc(C#N)cc2)C1 ZINC001307919876 1070241843 /nfs/dbraw/zinc/24/18/43/1070241843.db2.gz XDOHWINYHNLHQK-VSKRKVRLSA-N 1 1 452.530 3.607 20 30 JHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001313141518 1070267315 /nfs/dbraw/zinc/26/73/15/1070267315.db2.gz YWPNOYHAMYGBFI-GBXCKJPGSA-N 1 1 459.594 3.686 20 30 JHEDMO COC(=O)c1cnc(CC2CC[NH+](CC(=O)N(CCC#N)c3cccc(C)c3C)CC2)s1 ZINC001308043326 1070289913 /nfs/dbraw/zinc/28/99/13/1070289913.db2.gz NODKDRYGHFRSLT-UHFFFAOYSA-N 1 1 454.596 3.748 20 30 JHEDMO CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001314441046 1070330199 /nfs/dbraw/zinc/33/01/99/1070330199.db2.gz FBSLXSMUFHCXNO-MQSCRBSSSA-N 1 1 466.630 3.712 20 30 JHEDMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001313449311 1070373814 /nfs/dbraw/zinc/37/38/14/1070373814.db2.gz QNJQKQMYNUNWLB-OFVILXPXSA-N 1 1 484.048 3.866 20 30 JHEDMO CCC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCC)C1 ZINC001313452819 1070384303 /nfs/dbraw/zinc/38/43/03/1070384303.db2.gz MDGLRAPHVHPONV-JTHBVZDNSA-N 1 1 452.603 3.608 20 30 JHEDMO CCOCC[NH+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC001314494861 1070411759 /nfs/dbraw/zinc/41/17/59/1070411759.db2.gz CMABWGCWYOGXBM-ZEQRLZLVSA-N 1 1 480.657 3.817 20 30 JHEDMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCCn2cc[nH+]c2C)C1 ZINC001313466451 1070439195 /nfs/dbraw/zinc/43/91/95/1070439195.db2.gz LFFNVOQALDPNCT-HSZRJFAPSA-N 1 1 474.613 3.545 20 30 JHEDMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCCn2cc[nH+]c2C)C1 ZINC001313466453 1070439218 /nfs/dbraw/zinc/43/92/18/1070439218.db2.gz LFFNVOQALDPNCT-QHCPKHFHSA-N 1 1 474.613 3.545 20 30 JHEDMO CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC001314504326 1070443954 /nfs/dbraw/zinc/44/39/54/1070443954.db2.gz FCBAZARIVKADMB-JOCHJYFZSA-N 1 1 498.697 3.588 20 30 JHEDMO CCCOc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(C)(C)[NH+]2CCOCC2)cc1OC ZINC001313504544 1070538468 /nfs/dbraw/zinc/53/84/68/1070538468.db2.gz GFDBDFQWKOMSKY-MHZLTWQESA-N 1 1 496.656 3.983 20 30 JHEDMO CN(C)C(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCCC(C)(C)C2)CC1 ZINC001314628132 1070722901 /nfs/dbraw/zinc/72/29/01/1070722901.db2.gz ISYOTYGKNRCZDG-UHFFFAOYSA-N 1 1 477.657 3.633 20 30 JHEDMO C[NH+](C)CC(C)(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2[nH]c(=O)c(C#N)cc2C1 ZINC001314666545 1070799635 /nfs/dbraw/zinc/79/96/35/1070799635.db2.gz WINCLZIDVOIXPV-UHFFFAOYSA-N 1 1 480.016 3.645 20 30 JHEDMO CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314729676 1070944651 /nfs/dbraw/zinc/94/46/51/1070944651.db2.gz OMKPUGHLWYEESI-NRFANRHFSA-N 1 1 486.605 3.798 20 30 JHEDMO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313696367 1070963236 /nfs/dbraw/zinc/96/32/36/1070963236.db2.gz VERRGDPPVLPHRX-SZPZYZBQSA-N 1 1 479.673 3.627 20 30 JHEDMO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@]2(CCN(S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)C2)O1 ZINC001309801064 1070974130 /nfs/dbraw/zinc/97/41/30/1070974130.db2.gz XYRKSSZTWZNWCS-NLFFAJNJSA-N 1 1 453.608 3.542 20 30 JHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]2(CCN(S(=O)(=O)c3ccc(C(C)(C)C#N)cc3)C2)O1 ZINC001309801064 1070974138 /nfs/dbraw/zinc/97/41/38/1070974138.db2.gz XYRKSSZTWZNWCS-NLFFAJNJSA-N 1 1 453.608 3.542 20 30 JHEDMO CCN(C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+](C)C(C)C)C1)CC(F)(F)F ZINC001313787873 1071170811 /nfs/dbraw/zinc/17/08/11/1071170811.db2.gz OKZOXHAFNINEJU-HXUWFJFHSA-N 1 1 477.579 3.867 20 30 JHEDMO CN(CCc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001314837626 1071179642 /nfs/dbraw/zinc/17/96/42/1071179642.db2.gz NCGUGJNWOYHNCT-NRFANRHFSA-N 1 1 479.654 3.985 20 30 JHEDMO CN(CCc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1[N@@H+](C)CCCC1(C)C ZINC001314837682 1071180649 /nfs/dbraw/zinc/18/06/49/1071180649.db2.gz NCGUGJNWOYHNCT-OAQYLSRUSA-N 1 1 479.654 3.985 20 30 JHEDMO CC[N@@H+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1)CCC(F)(F)F ZINC001313818590 1071269069 /nfs/dbraw/zinc/26/90/69/1071269069.db2.gz MFBAUVJQLAHADP-SFHVURJKSA-N 1 1 470.927 3.525 20 30 JHEDMO CC[N@@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C)C(C)C ZINC001313819436 1071273629 /nfs/dbraw/zinc/27/36/29/1071273629.db2.gz AXEREMLSAUUDLP-HSZRJFAPSA-N 1 1 476.629 3.706 20 30 JHEDMO C[N@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001314928611 1071371426 /nfs/dbraw/zinc/37/14/26/1071371426.db2.gz NKJRLEYDGOQOFI-OALUTQOASA-N 1 1 462.520 3.705 20 30 JHEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)C[C@@H]1C ZINC001313864126 1071385423 /nfs/dbraw/zinc/38/54/23/1071385423.db2.gz XGBDFRXACBWORB-VQTJNVASSA-N 1 1 463.630 3.527 20 30 JHEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2Cl)C[C@@H]1C ZINC001313864957 1071390090 /nfs/dbraw/zinc/39/00/90/1071390090.db2.gz ZSRQEXCQUVTVBW-ZWKOTPCHSA-N 1 1 465.989 3.863 20 30 JHEDMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCCC2(C)C)C[C@H]1C ZINC001313879116 1071447564 /nfs/dbraw/zinc/44/75/64/1071447564.db2.gz XXBNFCANPIOPNQ-BVFVYWQFSA-N 1 1 466.630 3.589 20 30 JHEDMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCCC2(C)C)C[C@H]1C ZINC001313879119 1071447844 /nfs/dbraw/zinc/44/78/44/1071447844.db2.gz XXBNFCANPIOPNQ-GOHWNWGWSA-N 1 1 466.630 3.589 20 30 JHEDMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2Cl)C[C@H]1C ZINC001313879373 1071449457 /nfs/dbraw/zinc/44/94/57/1071449457.db2.gz ZOUGEONCFVYQSW-MOPGFXCFSA-N 1 1 496.015 3.775 20 30 JHEDMO CC[N@H+]1CC[C@@H](Cn2c([C@H](C)OCCOC)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC001313884319 1071463334 /nfs/dbraw/zinc/46/33/34/1071463334.db2.gz NXOMCPGHKXWPSQ-RBBKRZOGSA-N 1 1 464.614 3.509 20 30 JHEDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(CC#N)CC2)CC1 ZINC001313921974 1071563220 /nfs/dbraw/zinc/56/32/20/1071563220.db2.gz UOWZZOKNWWQHCQ-IBGZPJMESA-N 1 1 487.599 3.703 20 30 JHEDMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@](C)(C#N)C2)CC1 ZINC001313929964 1071588190 /nfs/dbraw/zinc/58/81/90/1071588190.db2.gz UMNNLURVSRCDJN-CJFMBICVSA-N 1 1 470.065 3.678 20 30 JHEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313950061 1071637636 /nfs/dbraw/zinc/63/76/36/1071637636.db2.gz MJXASHPSHSRDCX-LJQANCHMSA-N 1 1 487.574 3.789 20 30 JHEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(CC#N)CC2)CC1 ZINC001313955352 1071655471 /nfs/dbraw/zinc/65/54/71/1071655471.db2.gz GCOWTODBNVWHOX-QFIPXVFZSA-N 1 1 493.700 3.878 20 30 JHEDMO CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1)C(C)C ZINC001314067292 1071914634 /nfs/dbraw/zinc/91/46/34/1071914634.db2.gz SOLDSDPKHCRHMW-ZKMPZPQNSA-N 1 1 480.657 3.815 20 30 JHEDMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N ZINC001306319234 1068744028 /nfs/dbraw/zinc/74/40/28/1068744028.db2.gz RLIQIBIDPIPOFP-WMZOPIPTSA-N 1 1 462.440 3.906 20 30 JHEDMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 ZINC001306320133 1068748071 /nfs/dbraw/zinc/74/80/71/1068748071.db2.gz QESQMBBJSBOPFK-CYFREDJKSA-N 1 1 456.566 3.669 20 30 JHEDMO CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+](CC)CCC(F)(F)F)CCO1 ZINC001306404702 1068870336 /nfs/dbraw/zinc/87/03/36/1068870336.db2.gz LHTNSUORCNWMAM-IBGZPJMESA-N 1 1 450.509 3.706 20 30 JHEDMO CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2csc(C)c2)CC[N@H+]1CCOC ZINC001306456125 1068979876 /nfs/dbraw/zinc/97/98/76/1068979876.db2.gz YCPSGOXWIITPIW-JOCHJYFZSA-N 1 1 480.638 3.694 20 30 JHEDMO C[C@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[N@@H+]1CCc2sccc2C1 ZINC001310562326 1069018423 /nfs/dbraw/zinc/01/84/23/1069018423.db2.gz UPOIZESEGPILTE-QGZVFWFLSA-N 1 1 451.596 3.899 20 30 JHEDMO C[C@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N)[N@H+]1CCc2sccc2C1 ZINC001310562326 1069018437 /nfs/dbraw/zinc/01/84/37/1069018437.db2.gz UPOIZESEGPILTE-QGZVFWFLSA-N 1 1 451.596 3.899 20 30 JHEDMO CCC[C@@](C)(O)Cn1c(CC2CCCC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001306551076 1069214806 /nfs/dbraw/zinc/21/48/06/1069214806.db2.gz UWLOFCPOVNNZAH-AREMUKBSSA-N 1 1 450.631 3.756 20 30 JHEDMO COc1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(C#N)c(Cl)n1 ZINC001164833690 720564554 /nfs/dbraw/zinc/56/45/54/720564554.db2.gz BELSVKUXUPEVFE-FRQCXROJSA-N 1 1 464.948 3.734 20 30 JHEDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C#N)c4)c3)CC[C@@H]2C1 ZINC001164861977 720892627 /nfs/dbraw/zinc/89/26/27/720892627.db2.gz ZWMZNHKCUDUHCY-DENIHFKCSA-N 1 1 476.955 3.992 20 30 JHEDMO N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870827 721186320 /nfs/dbraw/zinc/18/63/20/721186320.db2.gz WINJPJJHLBMEQU-FPOVZHCZSA-N 1 1 462.941 3.669 20 30 JHEDMO C=CCOCc1nn(C)c2c1CN(c1nc(C[NH+]3CCCC3)nc3sc(C)c(C)c31)CC2 ZINC001164780486 721447102 /nfs/dbraw/zinc/44/71/02/721447102.db2.gz BRYBWQVTLVDKTA-UHFFFAOYSA-N 1 1 452.628 3.903 20 30 JHEDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc5cc(F)ccc5c(Cl)c4C#N)C3)O2)CC1 ZINC001164890030 721452341 /nfs/dbraw/zinc/45/23/41/721452341.db2.gz QDHOEYRWZLOISP-MHECFPHRSA-N 1 1 457.981 3.664 20 30 JHEDMO Cc1ccc2nc(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c(C#N)c(Cl)c2c1 ZINC001164889122 721454129 /nfs/dbraw/zinc/45/41/29/721454129.db2.gz NQVVGHQGGVOAOG-UQBPGWFLSA-N 1 1 454.018 3.834 20 30 JHEDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc5cc(F)c(F)cc5c(Cl)c4C#N)C3)O2)CC1 ZINC001164888363 721454158 /nfs/dbraw/zinc/45/41/58/721454158.db2.gz LSFVSBRWUZUCBD-GYCJOSAFSA-N 1 1 475.971 3.803 20 30 JHEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC2(C[C@@H](COCC3CC3)[N@@H+](CCOC)C2)CC1 ZINC001164783906 721455111 /nfs/dbraw/zinc/45/51/11/721455111.db2.gz CXTNEWFWJYXJKB-FQEVSTJZSA-N 1 1 491.032 3.517 20 30 JHEDMO N#CC1(c2ccc(N3CCC(F)(F)[C@@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2)CCOCC1 ZINC001164906664 721721778 /nfs/dbraw/zinc/72/17/78/721721778.db2.gz NQGCMPHMLHHHQH-XMMPIXPASA-N 1 1 453.537 3.786 20 30 JHEDMO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1F ZINC001164971966 722121640 /nfs/dbraw/zinc/12/16/40/722121640.db2.gz DZXRZVVWSGSFJJ-MHECFPHRSA-N 1 1 478.959 3.930 20 30 JHEDMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 ZINC001306679286 1069404221 /nfs/dbraw/zinc/40/42/21/1069404221.db2.gz GVVCOWVNONCJJD-UHFFFAOYSA-N 1 1 480.657 3.697 20 30 JHEDMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CC#N ZINC001306722335 1069459722 /nfs/dbraw/zinc/45/97/22/1069459722.db2.gz HDNIAHBYNRTAOO-VQTJNVASSA-N 1 1 486.690 3.631 20 30 JHEDMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001306724210 1069465232 /nfs/dbraw/zinc/46/52/32/1069465232.db2.gz XFUUGRXULYCZHF-XMMPIXPASA-N 1 1 463.630 3.530 20 30 JHEDMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001306725268 1069466450 /nfs/dbraw/zinc/46/64/50/1069466450.db2.gz CDEBOFSKZMLUKX-HSZRJFAPSA-N 1 1 464.662 3.724 20 30 JHEDMO CCC[N@@H+](CC)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001306801814 1069607027 /nfs/dbraw/zinc/60/70/27/1069607027.db2.gz BIUNJTKHWWDZGG-NRFANRHFSA-N 1 1 462.440 3.908 20 30 JHEDMO CCC[N@@H+](CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001306802506 1069609493 /nfs/dbraw/zinc/60/94/93/1069609493.db2.gz LSHRUFAXUOJDQQ-HXUWFJFHSA-N 1 1 451.600 3.583 20 30 JHEDMO CCC[N@@H+](CC)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001306806863 1069620192 /nfs/dbraw/zinc/62/01/92/1069620192.db2.gz KRSUWKQYXTUQJP-HXUWFJFHSA-N 1 1 472.037 3.516 20 30 JHEDMO C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001312126577 1069733647 /nfs/dbraw/zinc/73/36/47/1069733647.db2.gz CSMVSVIZJQPQLN-WMZHIEFXSA-N 1 1 452.002 3.954 20 30 JHEDMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001307056145 1069825669 /nfs/dbraw/zinc/82/56/69/1069825669.db2.gz CERMSLUOIBASSK-LEWJYISDSA-N 1 1 479.677 3.508 20 30 JHEDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 ZINC001312289723 1069840747 /nfs/dbraw/zinc/84/07/47/1069840747.db2.gz HNMLNPAEHUOBTN-FGZHOGPDSA-N 1 1 457.619 3.867 20 30 JHEDMO CCO[C@@H]1C[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1(C)C ZINC001314242003 1069946063 /nfs/dbraw/zinc/94/60/63/1069946063.db2.gz FWDSNKWSZQLTTG-KMDXXIMOSA-N 1 1 480.657 3.813 20 30 JHEDMO C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCC(OCCCNC(=O)OC(C)(C)C)CC1 ZINC001307569955 1070057052 /nfs/dbraw/zinc/05/70/52/1070057052.db2.gz ZGYBHWRTUREPNM-HXUWFJFHSA-N 1 1 458.603 3.718 20 30 JHEDMO C[C@H]1CCc2c(C#N)c(NC(=O)CC[NH+]3CCC(CCCN4CCOCC4)CC3)sc2C1 ZINC001307601680 1070076047 /nfs/dbraw/zinc/07/60/47/1070076047.db2.gz FFQFXJFJFHWHHF-IBGZPJMESA-N 1 1 458.672 3.898 20 30 JHEDMO C=C(C)[C@H]([NH2+]CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC)c1ccc(F)c(F)c1 ZINC001307697957 1070133595 /nfs/dbraw/zinc/13/35/95/1070133595.db2.gz KGSYDQOXXMCWIU-KRWDZBQOSA-N 1 1 452.479 3.753 20 30 JHEDMO C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C[C@@H](O)c1cccc(Br)c1 ZINC001307838095 1070206402 /nfs/dbraw/zinc/20/64/02/1070206402.db2.gz ARZIBGOQOJCJND-FXAWDEMLSA-N 1 1 451.324 3.652 20 30 JHEDMO C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C[C@@H](O)c1cccc(Br)c1 ZINC001307838098 1070206698 /nfs/dbraw/zinc/20/66/98/1070206698.db2.gz ARZIBGOQOJCJND-YLJYHZDGSA-N 1 1 451.324 3.652 20 30 JHEDMO COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)c1C#N ZINC001307884518 1070224291 /nfs/dbraw/zinc/22/42/91/1070224291.db2.gz BADDDFNNTHSSPZ-VLCRHTCISA-N 1 1 457.571 3.772 20 30 JHEDMO COC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)c1C#N ZINC001307884518 1070224300 /nfs/dbraw/zinc/22/43/00/1070224300.db2.gz BADDDFNNTHSSPZ-VLCRHTCISA-N 1 1 457.571 3.772 20 30 JHEDMO CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC[N@@H+](C)C1CCCC1 ZINC001314389004 1070240858 /nfs/dbraw/zinc/24/08/58/1070240858.db2.gz GCXHSBZENIIYHQ-UHFFFAOYSA-N 1 1 472.037 3.541 20 30 JHEDMO COC(=O)C1CC2(C1)C[N@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@H]2C(=O)OC(C)(C)C ZINC001308064967 1070299258 /nfs/dbraw/zinc/29/92/58/1070299258.db2.gz KUXOXNJTIIOEFE-BNGSBABLSA-N 1 1 450.482 3.503 20 30 JHEDMO COC(=O)C1CC2(C1)C[N@@H+](Cc1ccc(C#N)cc1OC(F)F)C[C@H]2C(=O)OC(C)(C)C ZINC001308064967 1070299275 /nfs/dbraw/zinc/29/92/75/1070299275.db2.gz KUXOXNJTIIOEFE-BNGSBABLSA-N 1 1 450.482 3.503 20 30 JHEDMO CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001314490059 1070401431 /nfs/dbraw/zinc/40/14/31/1070401431.db2.gz IRICOECTWBZGRI-GGAORHGYSA-N 1 1 466.630 3.856 20 30 JHEDMO CCS[C@H]1CCCCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[NH+]2CCOCC2)C1 ZINC001314606798 1070664618 /nfs/dbraw/zinc/66/46/18/1070664618.db2.gz HPXNLAOBVXDZAT-QHCPKHFHSA-N 1 1 484.670 3.563 20 30 JHEDMO CC[N@@H+](C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@](C)(C#N)C2)c1 ZINC001313574816 1070690271 /nfs/dbraw/zinc/69/02/71/1070690271.db2.gz MVSLPTFVICWJGO-SANMLTNESA-N 1 1 491.665 3.900 20 30 JHEDMO CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)C1CCCCC1 ZINC001313586224 1070711501 /nfs/dbraw/zinc/71/15/01/1070711501.db2.gz SOUKGTZQBLJOIR-DEOSSOPVSA-N 1 1 477.657 3.918 20 30 JHEDMO CC[NH+](CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC001313675647 1070917379 /nfs/dbraw/zinc/91/73/79/1070917379.db2.gz VIQMAXMIUQVQDF-FCHUYYIVSA-N 1 1 498.678 3.585 20 30 JHEDMO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001313701136 1070979589 /nfs/dbraw/zinc/97/95/89/1070979589.db2.gz BNOIPGDKGUWGNX-ZDXQCDESSA-N 1 1 493.700 3.873 20 30 JHEDMO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001310130251 1071141583 /nfs/dbraw/zinc/14/15/83/1071141583.db2.gz GGJAPRKWJJRWIA-PMACEKPBSA-N 1 1 456.612 3.620 20 30 JHEDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 ZINC001310182805 1071188593 /nfs/dbraw/zinc/18/85/93/1071188593.db2.gz VQOPPHPASJWHIU-IQWWUADYSA-N 1 1 451.637 3.522 20 30 JHEDMO CCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001313793199 1071190219 /nfs/dbraw/zinc/19/02/19/1071190219.db2.gz YBWZNYCZMQKGJU-IBGZPJMESA-N 1 1 450.612 3.668 20 30 JHEDMO CC[N@@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OC)C1)CCC(F)(F)F ZINC001313807475 1071228768 /nfs/dbraw/zinc/22/87/68/1071228768.db2.gz OSPDKAQYGHUUSR-IBGZPJMESA-N 1 1 450.509 3.706 20 30 JHEDMO C[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](F)(C#N)C1)C1CCCCC1 ZINC001314858547 1071244396 /nfs/dbraw/zinc/24/43/96/1071244396.db2.gz KDFLXIDGPLVYPN-HXUWFJFHSA-N 1 1 464.387 3.742 20 30 JHEDMO CC[N@H+]1CC[C@H](Cn2c([C@@H](C)OCCOC)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC001313884318 1071463543 /nfs/dbraw/zinc/46/35/43/1071463543.db2.gz NXOMCPGHKXWPSQ-IRLDBZIGSA-N 1 1 464.614 3.509 20 30 JHEDMO CC[N@H+]1CCC[C@@H]1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@H](C#N)C1 ZINC001313906002 1071523338 /nfs/dbraw/zinc/52/33/38/1071523338.db2.gz XAKFXTPLGNRBPR-RTWAWAEBSA-N 1 1 452.603 3.502 20 30 JHEDMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](C#N)C1 ZINC001313908360 1071530426 /nfs/dbraw/zinc/53/04/26/1071530426.db2.gz MZGKJIUOJFFRJZ-OALUTQOASA-N 1 1 473.419 3.619 20 30 JHEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001313949084 1071635240 /nfs/dbraw/zinc/63/52/40/1071635240.db2.gz HMZKURFOALDRQY-FQEVSTJZSA-N 1 1 493.059 3.775 20 30 JHEDMO CC[NH+]1CCN(CCCCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001313953454 1071648991 /nfs/dbraw/zinc/64/89/91/1071648991.db2.gz FUHCZYNSLDJLQN-DHIUTWEWSA-N 1 1 479.673 3.629 20 30 JHEDMO CC[NH+]1CCN(CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001313957434 1071660716 /nfs/dbraw/zinc/66/07/16/1071660716.db2.gz GPYCLUKDRXSORE-UHFFFAOYSA-N 1 1 474.028 3.895 20 30 JHEDMO CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCC[N@H+]2CCC[C@@H](C)C2)c2ccccc2c1=O ZINC001313959176 1071666249 /nfs/dbraw/zinc/66/62/49/1071666249.db2.gz MCZYXVQSCPRUSC-RTWAWAEBSA-N 1 1 490.656 3.783 20 30 JHEDMO CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001314065471 1071911016 /nfs/dbraw/zinc/91/10/16/1071911016.db2.gz KPLHXECDBGDBSY-SQJMNOBHSA-N 1 1 480.657 3.957 20 30 JHEDMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001306320226 1068748036 /nfs/dbraw/zinc/74/80/36/1068748036.db2.gz RRGFUERYOLSQSX-QHCPKHFHSA-N 1 1 477.657 3.776 20 30 JHEDMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCCOC)C1 ZINC001306320558 1068749583 /nfs/dbraw/zinc/74/95/83/1068749583.db2.gz WLHXHJZXEZYNBG-ZEQRLZLVSA-N 1 1 466.630 3.713 20 30 JHEDMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCCOC)C1 ZINC001306320557 1068749604 /nfs/dbraw/zinc/74/96/04/1068749604.db2.gz WLHXHJZXEZYNBG-RPWUZVMVSA-N 1 1 466.630 3.713 20 30 JHEDMO C[N@H+]1CC[C@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001310521795 1068998211 /nfs/dbraw/zinc/99/82/11/1068998211.db2.gz ZEQTZPLYTWCIAQ-UZLBHIALSA-N 1 1 453.909 3.746 20 30 JHEDMO CCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001306534536 1069178148 /nfs/dbraw/zinc/17/81/48/1069178148.db2.gz FWVWVVFHGAANRR-MHZLTWQESA-N 1 1 473.625 3.784 20 30 JHEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(SC)nc(Cl)c1C#N)CC2 ZINC001164712104 720092634 /nfs/dbraw/zinc/09/26/34/720092634.db2.gz VOBIJJPROGPROQ-KRWDZBQOSA-N 1 1 459.019 3.626 20 30 JHEDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(COc3ccc(CC#N)cc3)cn1)CCC2 ZINC001164814021 720237826 /nfs/dbraw/zinc/23/78/26/720237826.db2.gz TXCOFWIJSDNMKW-UHFFFAOYSA-N 1 1 472.593 3.534 20 30 JHEDMO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC2(C[C@@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164836410 720713953 /nfs/dbraw/zinc/71/39/53/720713953.db2.gz ABYMWQGDZZYLIC-YADHBBJMSA-N 1 1 485.588 3.670 20 30 JHEDMO CSc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1C#N ZINC001164744475 720836194 /nfs/dbraw/zinc/83/61/94/720836194.db2.gz KEYDNQQHQRQQAS-MQSCRBSSSA-N 1 1 486.649 3.708 20 30 JHEDMO 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CCOC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001314047590 1071866297 /nfs/dbraw/zinc/86/62/97/1071866297.db2.gz CKHDKOWJJFIHKP-OYRHEFFESA-N 1 1 480.657 3.957 20 30 JHEDMO CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001305941330 1068250426 /nfs/dbraw/zinc/25/04/26/1068250426.db2.gz QKAXGDRTMMZZME-YIXXDRMTSA-N 1 1 477.657 3.580 20 30 JHEDMO CC[C@H]1CCCC[N@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(F)(F)F ZINC001306321473 1068751611 /nfs/dbraw/zinc/75/16/11/1068751611.db2.gz CPYHBTUZMWPZPZ-SFHVURJKSA-N 1 1 450.509 3.992 20 30 JHEDMO CC[C@@H]1CCCC[N@H+]1CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001306325859 1068763182 /nfs/dbraw/zinc/76/31/82/1068763182.db2.gz VMCQMIJPTGHCIC-PXDATVDWSA-N 1 1 458.651 3.713 20 30 JHEDMO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CCS1 ZINC001306406471 1068876311 /nfs/dbraw/zinc/87/63/11/1068876311.db2.gz XXRKBDRBTABOOS-FCHUYYIVSA-N 1 1 454.644 3.505 20 30 JHEDMO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC001310555626 1069014980 /nfs/dbraw/zinc/01/49/80/1069014980.db2.gz ABWPOYRWYIPXHS-OALUTQOASA-N 1 1 454.596 3.926 20 30 JHEDMO N#Cc1ccc(Cc2cnc(NC(=O)NCC[NH+]3CCSCC3)s2)c(C(F)(F)F)c1 ZINC001310694088 1069115574 /nfs/dbraw/zinc/11/55/74/1069115574.db2.gz NRLBUENBYUCPSE-UHFFFAOYSA-N 1 1 455.531 3.795 20 30 JHEDMO CCC[C@H](C)C(=O)NCCn1c(CC(C)(C)C)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001306553340 1069219137 /nfs/dbraw/zinc/21/91/37/1069219137.db2.gz NDKOLAYDISDXSB-NRFANRHFSA-N 1 1 479.673 3.613 20 30 JHEDMO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1)C2 ZINC001164807849 720121393 /nfs/dbraw/zinc/12/13/93/720121393.db2.gz CTUKEYVYPASZNG-HOYKHHGWSA-N 1 1 455.965 3.992 20 30 JHEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1)C2 ZINC001164807894 720121894 /nfs/dbraw/zinc/12/18/94/720121894.db2.gz CTUKEYVYPASZNG-UUOWRZLLSA-N 1 1 455.965 3.992 20 30 JHEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164712252 720154454 /nfs/dbraw/zinc/15/44/54/720154454.db2.gz LTXJRKHUNHNRGO-JOCHJYFZSA-N 1 1 472.549 3.917 20 30 JHEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccccc1C#N)C2 ZINC001164815281 720198294 /nfs/dbraw/zinc/19/82/94/720198294.db2.gz YHBLTYFHEPZHAM-CYFREDJKSA-N 1 1 453.974 3.979 20 30 JHEDMO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1 ZINC001164842585 720568842 /nfs/dbraw/zinc/56/88/42/720568842.db2.gz YKKNNNKHUMCDBP-YTFSRNRJSA-N 1 1 479.701 3.671 20 30 JHEDMO N#Cc1cnc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164738141 720707854 /nfs/dbraw/zinc/70/78/54/720707854.db2.gz ILSLZGUFTXEJIQ-PMACEKPBSA-N 1 1 454.559 3.967 20 30 JHEDMO N#Cc1cc2c(nc1N1CC[C@@]3(C1)C[N@@H+](CC1CC1)C[C@H]3COCc1cccnc1)CCCC2 ZINC001164752247 720910321 /nfs/dbraw/zinc/91/03/21/720910321.db2.gz NUKVOTDJBIJPCG-LSYYVWMOSA-N 1 1 457.622 3.982 20 30 JHEDMO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164860728 720978810 /nfs/dbraw/zinc/97/88/10/720978810.db2.gz PQNQAAFQVKLTPU-SFHVURJKSA-N 1 1 453.663 3.715 20 30 JHEDMO Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(-c5cccc(C#N)c5)nnc4Cl)C[C@H]3C2)cn1 ZINC001164765020 721247750 /nfs/dbraw/zinc/24/77/50/721247750.db2.gz QNEHHAJKRVLQJO-VQTJNVASSA-N 1 1 483.954 3.905 20 30 JHEDMO CSc1nc(-c2ccccc2)nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1C#N ZINC001164885153 721421248 /nfs/dbraw/zinc/42/12/48/721421248.db2.gz FYDYQKKLWDCXOZ-LVXARBLLSA-N 1 1 478.666 3.503 20 30 JHEDMO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c12 ZINC001164890363 721453986 /nfs/dbraw/zinc/45/39/86/721453986.db2.gz REAAGZZKLOECOU-IQGLISFBSA-N 1 1 472.008 3.973 20 30 JHEDMO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc([C@H](C#N)c3ccccc3F)nn2)[C@@H]2CCCO[C@@H]21 ZINC001164798586 721564381 /nfs/dbraw/zinc/56/43/81/721564381.db2.gz BNSVRAHFFQGSDZ-DWVBLMAMSA-N 1 1 458.541 3.534 20 30 JHEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc([C@H](C#N)c3ccccc3F)nn2)[C@@H]2CCCO[C@@H]21 ZINC001164798586 721564383 /nfs/dbraw/zinc/56/43/83/721564383.db2.gz BNSVRAHFFQGSDZ-DWVBLMAMSA-N 1 1 458.541 3.534 20 30 JHEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(COc3ccc(CC#N)cc3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164801074 721580438 /nfs/dbraw/zinc/58/04/38/721580438.db2.gz DPNMBUKOKXVAGC-GTNKKZTPSA-N 1 1 469.589 3.990 20 30 JHEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165017807 721807262 /nfs/dbraw/zinc/80/72/62/721807262.db2.gz ASTJUFZPZGEIMG-NDXORKPFSA-N 1 1 453.974 3.915 20 30 JHEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165017803 721807448 /nfs/dbraw/zinc/80/74/48/721807448.db2.gz ASTJUFZPZGEIMG-DQLDELGASA-N 1 1 453.974 3.915 20 30 JHEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccnc3[C@@H](C#N)C(=O)OC(C)(C)C)C[C@H]21 ZINC001165028286 721828159 /nfs/dbraw/zinc/82/81/59/721828159.db2.gz VCIFLIJBZDITIL-ZHHKINOHSA-N 1 1 462.598 3.557 20 30 JHEDMO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982815 722101759 /nfs/dbraw/zinc/10/17/59/722101759.db2.gz PETTULMLBLRXNE-MAUKXSAKSA-N 1 1 468.335 3.927 20 30 JHEDMO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995488 722208359 /nfs/dbraw/zinc/20/83/59/722208359.db2.gz NUBCVQYJNBWATR-RXFWQSSRSA-N 1 1 459.525 3.794 20 30 JHEDMO CCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001306685872 1069422004 /nfs/dbraw/zinc/42/20/04/1069422004.db2.gz MKHDFPIEZCVNIE-VWLOTQADSA-N 1 1 479.673 3.836 20 30 JHEDMO CCCC[N@@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001306685872 1069422009 /nfs/dbraw/zinc/42/20/09/1069422009.db2.gz MKHDFPIEZCVNIE-VWLOTQADSA-N 1 1 479.673 3.836 20 30 JHEDMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC#N ZINC001306722336 1069459695 /nfs/dbraw/zinc/45/96/95/1069459695.db2.gz HDNIAHBYNRTAOO-WOJBJXKFSA-N 1 1 486.690 3.631 20 30 JHEDMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncnn1CC(F)F ZINC001307053531 1069813083 /nfs/dbraw/zinc/81/30/83/1069813083.db2.gz DIHZCWYLSTXGMF-HXUWFJFHSA-N 1 1 483.571 3.574 20 30 JHEDMO CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)C1(C)C ZINC001314242004 1069946228 /nfs/dbraw/zinc/94/62/28/1069946228.db2.gz FWDSNKWSZQLTTG-RBZQAINGSA-N 1 1 480.657 3.813 20 30 JHEDMO N#Cc1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H](O)Cn2c(=O)onc2-c2ccccc2)cc1 ZINC001307535764 1070040003 /nfs/dbraw/zinc/04/00/03/1070040003.db2.gz QEFAGCMWGOPEDS-DEOSSOPVSA-N 1 1 458.493 3.577 20 30 JHEDMO O=C(C[N@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001307675574 1070118765 /nfs/dbraw/zinc/11/87/65/1070118765.db2.gz PPLBRNDJDKENTJ-KRWDZBQOSA-N 1 1 458.406 3.726 20 30 JHEDMO O=C(C[N@@H+]1CCC[C@H](n2ccc(C(F)(F)F)n2)C1)NCC#Cc1cccc(C(F)(F)F)c1 ZINC001307675574 1070118768 /nfs/dbraw/zinc/11/87/68/1070118768.db2.gz PPLBRNDJDKENTJ-KRWDZBQOSA-N 1 1 458.406 3.726 20 30 JHEDMO C[N@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C[C@H](O)c1cccc(Br)c1 ZINC001307838096 1070206598 /nfs/dbraw/zinc/20/65/98/1070206598.db2.gz ARZIBGOQOJCJND-PXNSSMCTSA-N 1 1 451.324 3.652 20 30 JHEDMO CC1(C)[C@@H](c2ccccc2F)CC[N@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC001308008829 1070277765 /nfs/dbraw/zinc/27/77/65/1070277765.db2.gz RQGCCTDAQIJTGG-ISKFKSNPSA-N 1 1 452.549 3.942 20 30 JHEDMO CCC[N@H+]1CCC[C@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1 ZINC001313448984 1070373303 /nfs/dbraw/zinc/37/33/03/1070373303.db2.gz DVCSKBIDWPOMKP-RLSLOFABSA-N 1 1 489.640 3.709 20 30 JHEDMO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@H]2OC)C[C@H]1CC ZINC001314496702 1070418814 /nfs/dbraw/zinc/41/88/14/1070418814.db2.gz RUTIROQHZZHBQT-RBZQAINGSA-N 1 1 466.630 3.569 20 30 JHEDMO CCOCC[NH+]1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2ccc(C#N)o2)CC1 ZINC001314497889 1070422208 /nfs/dbraw/zinc/42/22/08/1070422208.db2.gz GALJGBHXRCCPNA-UHFFFAOYSA-N 1 1 466.611 3.550 20 30 JHEDMO CCOCC[NH+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001314499027 1070426399 /nfs/dbraw/zinc/42/63/99/1070426399.db2.gz VMTFULNRIAPBOE-OAQYLSRUSA-N 1 1 488.583 3.713 20 30 JHEDMO CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001313479503 1070490930 /nfs/dbraw/zinc/49/09/30/1070490930.db2.gz VGGVRQYZJNQOOX-FYYLOGMGSA-N 1 1 477.657 3.824 20 30 JHEDMO CCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC001313520453 1070585710 /nfs/dbraw/zinc/58/57/10/1070585710.db2.gz ADBQWCGKSDCKTC-XMMPIXPASA-N 1 1 479.673 3.628 20 30 JHEDMO CCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001313520453 1070585720 /nfs/dbraw/zinc/58/57/20/1070585720.db2.gz ADBQWCGKSDCKTC-XMMPIXPASA-N 1 1 479.673 3.628 20 30 JHEDMO CCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCN(C)C(C)(C)C2)CC1 ZINC001313520453 1070585731 /nfs/dbraw/zinc/58/57/31/1070585731.db2.gz ADBQWCGKSDCKTC-XMMPIXPASA-N 1 1 479.673 3.628 20 30 JHEDMO 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CC[N@@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(F)(F)F)CC1)C(C)C ZINC001313805596 1071220571 /nfs/dbraw/zinc/22/05/71/1071220571.db2.gz LVBORMHZWIWETD-UHFFFAOYSA-N 1 1 463.552 3.621 20 30 JHEDMO C[N@@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1)C1CCCCC1 ZINC001314858789 1071245846 /nfs/dbraw/zinc/24/58/46/1071245846.db2.gz PWQBFESLQAIFFT-UHFFFAOYSA-N 1 1 475.563 3.766 20 30 JHEDMO CC[N@@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cs2)CC1)C(C)C ZINC001313820915 1071279695 /nfs/dbraw/zinc/27/96/95/1071279695.db2.gz XKEYUGQRTRDJAO-UHFFFAOYSA-N 1 1 494.669 3.551 20 30 JHEDMO CN(CC[N@@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCSC1(C)C ZINC001314871991 1071285113 /nfs/dbraw/zinc/28/51/13/1071285113.db2.gz GKMHUQPWHVWLEZ-OAQYLSRUSA-N 1 1 498.697 3.807 20 30 JHEDMO CN(CC[N@H+]1CCOC(C)(C)C1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCSC1(C)C ZINC001314871991 1071285125 /nfs/dbraw/zinc/28/51/25/1071285125.db2.gz GKMHUQPWHVWLEZ-OAQYLSRUSA-N 1 1 498.697 3.807 20 30 JHEDMO 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CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC2CCOCC2)CC[N@H+]1CCOC ZINC001306409470 1068888566 /nfs/dbraw/zinc/88/85/66/1068888566.db2.gz KAGHFHGFQBWQPX-DEOSSOPVSA-N 1 1 466.630 3.571 20 30 JHEDMO CC[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(C#N)o2)CC[N@H+]1CCOC ZINC001306454544 1068976534 /nfs/dbraw/zinc/97/65/34/1068976534.db2.gz MXDVJBKXBCKVDS-NRFANRHFSA-N 1 1 478.597 3.534 20 30 JHEDMO CCOC(=O)C(C)(C)c1csc(NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC001310843737 1069189916 /nfs/dbraw/zinc/18/99/16/1069189916.db2.gz ICNXMWKIBOWOOH-UHFFFAOYSA-N 1 1 455.584 3.595 20 30 JHEDMO CCOC(=O)C(C)(C)c1csc(NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1 ZINC001310843737 1069189925 /nfs/dbraw/zinc/18/99/25/1069189925.db2.gz ICNXMWKIBOWOOH-UHFFFAOYSA-N 1 1 455.584 3.595 20 30 JHEDMO CSc1nc(Cl)c(C=NO)c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1 ZINC001164696147 719889280 /nfs/dbraw/zinc/88/92/80/719889280.db2.gz ZPSZBRSGPPPKJM-UHFFFAOYSA-N 1 1 454.021 3.593 20 30 JHEDMO 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JHEDMO C=C(C)[C@@H]([NH2+]CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC)c1ccc(F)c(F)c1 ZINC001307697965 1070133511 /nfs/dbraw/zinc/13/35/11/1070133511.db2.gz KGSYDQOXXMCWIU-QGZVFWFLSA-N 1 1 452.479 3.753 20 30 JHEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1C#N ZINC001307833339 1070204984 /nfs/dbraw/zinc/20/49/84/1070204984.db2.gz IJKRUBVFNRVHMV-BJKOFHAPSA-N 1 1 452.574 3.976 20 30 JHEDMO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)C[N@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)c1C#N ZINC001307833339 1070204999 /nfs/dbraw/zinc/20/49/99/1070204999.db2.gz IJKRUBVFNRVHMV-BJKOFHAPSA-N 1 1 452.574 3.976 20 30 JHEDMO CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001314374623 1070213180 /nfs/dbraw/zinc/21/31/80/1070213180.db2.gz NBUVUKZPGZWDBG-HSZRJFAPSA-N 1 1 479.673 3.915 20 30 JHEDMO CCOCc1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@]1(C)CCCS1 ZINC001314378211 1070220919 /nfs/dbraw/zinc/22/09/19/1070220919.db2.gz JJXLSGOYTVGTJJ-DEOSSOPVSA-N 1 1 454.644 3.684 20 30 JHEDMO 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CC[NH+]1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCSC(CC)(CC)C2)CC1 ZINC001313957805 1071661282 /nfs/dbraw/zinc/66/12/82/1071661282.db2.gz IZGYHIDWXLNSFL-UHFFFAOYSA-N 1 1 481.714 3.956 20 30 JHEDMO CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCC[N@H+]2CCC[C@H](C)C2)c2ccccc2c1=O ZINC001313959174 1071666291 /nfs/dbraw/zinc/66/62/91/1071666291.db2.gz MCZYXVQSCPRUSC-LEWJYISDSA-N 1 1 490.656 3.783 20 30 JHEDMO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCC[N@H+]2CC)CC1 ZINC001314013382 1071750228 /nfs/dbraw/zinc/75/02/28/1071750228.db2.gz FAGQRPOMNLAKAL-QHCPKHFHSA-N 1 1 479.629 3.748 20 30 JHEDMO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001314028087 1071794194 /nfs/dbraw/zinc/79/41/94/1071794194.db2.gz PVECORUCBQRGTC-TXTKFYIRSA-N 1 1 481.645 3.896 20 30 JHEDMO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC001314030936 1071803625 /nfs/dbraw/zinc/80/36/25/1071803625.db2.gz YSDIFSVUQIZDAB-WWPVKYPJSA-N 1 1 479.629 3.650 20 30 JHEDMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001306318015 1068740361 /nfs/dbraw/zinc/74/03/61/1068740361.db2.gz CUXNKGMVPAPYFM-RPWUZVMVSA-N 1 1 466.630 3.711 20 30 JHEDMO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866424 721198302 /nfs/dbraw/zinc/19/83/02/721198302.db2.gz ADQZUWMTPPTVAV-HZPDHXFCSA-N 1 1 455.896 3.913 20 30 JHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(C#N)c(Cl)n3)C2)C1 ZINC001164777729 721334011 /nfs/dbraw/zinc/33/40/11/721334011.db2.gz PTSSGEJODDDOEO-OAQYLSRUSA-N 1 1 465.932 3.875 20 30 JHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3ccc(C#N)c(Cl)n3)C2)C1 ZINC001164777729 721334016 /nfs/dbraw/zinc/33/40/16/721334016.db2.gz PTSSGEJODDDOEO-OAQYLSRUSA-N 1 1 465.932 3.875 20 30 JHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)ncc3C#N)C2)C1 ZINC001164779504 721352555 /nfs/dbraw/zinc/35/25/55/721352555.db2.gz UMCWTQBQHPNKLI-NRFANRHFSA-N 1 1 465.932 3.875 20 30 JHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)ncc3C#N)C2)C1 ZINC001164779504 721352558 /nfs/dbraw/zinc/35/25/58/721352558.db2.gz UMCWTQBQHPNKLI-NRFANRHFSA-N 1 1 465.932 3.875 20 30 JHEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164790601 721471221 /nfs/dbraw/zinc/47/12/21/721471221.db2.gz RXMUEZYZSQZTJD-QFIPXVFZSA-N 1 1 479.581 3.749 20 30 JHEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C)C2 ZINC001164910452 721763484 /nfs/dbraw/zinc/76/34/84/721763484.db2.gz GBJNAORUSYVSJA-QFIPXVFZSA-N 1 1 474.565 3.608 20 30 JHEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C)C2 ZINC001164910452 721763486 /nfs/dbraw/zinc/76/34/86/721763486.db2.gz GBJNAORUSYVSJA-QFIPXVFZSA-N 1 1 474.565 3.608 20 30 JHEDMO N#CCc1ccc(OCc2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2)cc1 ZINC001164977038 722144223 /nfs/dbraw/zinc/14/42/23/722144223.db2.gz HYJBOYUQPPPJIM-XNMGPUDCSA-N 1 1 469.589 3.849 20 30 JHEDMO N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164974675 722155814 /nfs/dbraw/zinc/15/58/14/722155814.db2.gz OUIJYQZIEPOOTJ-NZQKXSOJSA-N 1 1 476.968 3.916 20 30 JHEDMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001306722295 1069459808 /nfs/dbraw/zinc/45/98/08/1069459808.db2.gz GLJCJWLSDXAUJW-RPWUZVMVSA-N 1 1 463.630 3.576 20 30 JHEDMO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)C1 ZINC001306783386 1069582218 /nfs/dbraw/zinc/58/22/18/1069582218.db2.gz HCQCVCMUFGZVKX-JTHBVZDNSA-N 1 1 461.614 3.881 20 30 JHEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccco2)N(C)C)C1 ZINC001306783386 1069582229 /nfs/dbraw/zinc/58/22/29/1069582229.db2.gz HCQCVCMUFGZVKX-JTHBVZDNSA-N 1 1 461.614 3.881 20 30 JHEDMO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001312177116 1069766670 /nfs/dbraw/zinc/76/66/70/1069766670.db2.gz JSDZFUJOIUSEGI-QFIPXVFZSA-N 1 1 457.619 3.715 20 30 JHEDMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 ZINC001307053385 1069812097 /nfs/dbraw/zinc/81/20/97/1069812097.db2.gz HPVMCCJVPUYCMV-UZKOGDIHSA-N 1 1 456.566 3.550 20 30 JHEDMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@](F)(C#N)C1 ZINC001307053514 1069812863 /nfs/dbraw/zinc/81/28/63/1069812863.db2.gz DDOHSBBAJJCUJE-MHECFPHRSA-N 1 1 456.566 3.669 20 30 JHEDMO CCOC1CC(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(C)(C)C)([NH+]2CCOCC2)C1 ZINC001314240209 1069941005 /nfs/dbraw/zinc/94/10/05/1069941005.db2.gz LBQLLEQFGLWOGE-UHFFFAOYSA-N 1 1 466.630 3.569 20 30 JHEDMO C[N@H+]1Cc2ccccc2[C@@H](NC(=O)N2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC001312443610 1069941256 /nfs/dbraw/zinc/94/12/56/1069941256.db2.gz UWVMWKIRFRCFGF-MJBXVCDLSA-N 1 1 457.365 3.986 20 30 JHEDMO C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)N2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 ZINC001312443610 1069941261 /nfs/dbraw/zinc/94/12/61/1069941261.db2.gz UWVMWKIRFRCFGF-MJBXVCDLSA-N 1 1 457.365 3.986 20 30 JHEDMO CCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CCCC(C)(C)C2)C1 ZINC001314273841 1070029615 /nfs/dbraw/zinc/02/96/15/1070029615.db2.gz FSNCJEZBZCRMRT-QHCPKHFHSA-N 1 1 466.630 3.856 20 30 JHEDMO CCOC(=O)C[C@H](c1ccccc1)C1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC001307558451 1070052440 /nfs/dbraw/zinc/05/24/40/1070052440.db2.gz DCPWHFLPDFTOQO-XMMPIXPASA-N 1 1 454.592 3.781 20 30 JHEDMO CC(C)[NH+]1CCN(C2CCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)CC1 ZINC001307646546 1070099404 /nfs/dbraw/zinc/09/94/04/1070099404.db2.gz ZGCNHVYNBFOGTM-IBGZPJMESA-N 1 1 457.688 3.706 20 30 JHEDMO COC(=O)C[C@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)c1ccncc1 ZINC001307757968 1070169274 /nfs/dbraw/zinc/16/92/74/1070169274.db2.gz WHUSNIZWUCBHGC-VWLOTQADSA-N 1 1 451.571 3.883 20 30 JHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1C#N ZINC001307780431 1070179531 /nfs/dbraw/zinc/17/95/31/1070179531.db2.gz GNJSDIKPVJKSHH-GOSISDBHSA-N 1 1 453.562 3.657 20 30 JHEDMO Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)C[N@H+]2CCC[C@H](CC(C)(C)C(N)=O)C2)c1C#N ZINC001307780431 1070179535 /nfs/dbraw/zinc/17/95/35/1070179535.db2.gz GNJSDIKPVJKSHH-GOSISDBHSA-N 1 1 453.562 3.657 20 30 JHEDMO CO[C@@H]1COC[C@@H]1[NH2+]CC(=O)Nc1sc2c(c1C#N)C=C(/C=C\c1ccccn1)CC2(C)C ZINC001307827741 1070202661 /nfs/dbraw/zinc/20/26/61/1070202661.db2.gz NUKVDKDVHPWTHG-PNHFMCTPSA-N 1 1 464.591 3.735 20 30 JHEDMO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)CC1 ZINC001307850480 1070211127 /nfs/dbraw/zinc/21/11/27/1070211127.db2.gz QTTHGJNYASSVFG-ISKFKSNPSA-N 1 1 456.512 3.520 20 30 JHEDMO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)CC1 ZINC001307850480 1070211136 /nfs/dbraw/zinc/21/11/36/1070211136.db2.gz QTTHGJNYASSVFG-ISKFKSNPSA-N 1 1 456.512 3.520 20 30 JHEDMO CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C[NH2+][C@H]3CCO[C@H]3c3nc(C)no3)sc2C1 ZINC001307977716 1070266491 /nfs/dbraw/zinc/26/64/91/1070266491.db2.gz IIEIXGDQLQGGNY-CFLQYTFWSA-N 1 1 457.600 3.911 20 30 JHEDMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001313141521 1070267431 /nfs/dbraw/zinc/26/74/31/1070267431.db2.gz YWPNOYHAMYGBFI-HYBUGGRVSA-N 1 1 459.594 3.686 20 30 JHEDMO CCOC(=O)c1sc(CC2CC[NH+]([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)nc1C ZINC001308039655 1070288583 /nfs/dbraw/zinc/28/85/83/1070288583.db2.gz MHDURCDOPFOEEP-HXUWFJFHSA-N 1 1 452.580 3.560 20 30 JHEDMO C#CC[N@@H+](CC(=O)NCc1ccccc1COC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308074446 1070303010 /nfs/dbraw/zinc/30/30/10/1070303010.db2.gz BXQCWMPFLZJHDQ-UHFFFAOYSA-N 1 1 457.615 3.563 20 30 JHEDMO C#CC[N@H+](CC(=O)NCc1ccccc1COC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308074446 1070303031 /nfs/dbraw/zinc/30/30/31/1070303031.db2.gz BXQCWMPFLZJHDQ-UHFFFAOYSA-N 1 1 457.615 3.563 20 30 JHEDMO CCOCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001314458364 1070359572 /nfs/dbraw/zinc/35/95/72/1070359572.db2.gz XFZUKOGYXAGPLL-DEOSSOPVSA-N 1 1 466.630 3.573 20 30 JHEDMO CCC[N@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001313449321 1070374483 /nfs/dbraw/zinc/37/44/83/1070374483.db2.gz QNJQKQMYNUNWLB-SQJMNOBHSA-N 1 1 484.048 3.866 20 30 JHEDMO CCS[C@H]1CC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001314598410 1070643966 /nfs/dbraw/zinc/64/39/66/1070643966.db2.gz KJHGKGQFBRORII-GMAHTHKFSA-N 1 1 498.697 3.950 20 30 JHEDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C)CCCC2)CC1 ZINC001313647943 1070814783 /nfs/dbraw/zinc/81/47/83/1070814783.db2.gz QDCPJWQVCXJMIY-UHFFFAOYSA-N 1 1 477.657 3.778 20 30 JHEDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C)CCCC2)CC1 ZINC001313647943 1070814809 /nfs/dbraw/zinc/81/48/09/1070814809.db2.gz QDCPJWQVCXJMIY-UHFFFAOYSA-N 1 1 477.657 3.778 20 30 JHEDMO CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC001309592880 1070873113 /nfs/dbraw/zinc/87/31/13/1070873113.db2.gz FKUZLZUHSNKIMQ-IFMALSPDSA-N 1 1 469.632 3.897 20 30 JHEDMO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC001313701133 1070979439 /nfs/dbraw/zinc/97/94/39/1070979439.db2.gz BNOIPGDKGUWGNX-AOHZBQACSA-N 1 1 493.700 3.873 20 30 JHEDMO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001310132737 1071143314 /nfs/dbraw/zinc/14/33/14/1071143314.db2.gz WHBUTJGTCFLYQV-FQEVSTJZSA-N 1 1 456.612 3.621 20 30 JHEDMO C#CC1(O)CCN(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c(Cl)c2)CC1 ZINC001310190222 1071195274 /nfs/dbraw/zinc/19/52/74/1071195274.db2.gz YOLXMUDPJQPSOZ-UHFFFAOYSA-N 1 1 452.986 3.654 20 30 JHEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1C[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC001310214531 1071212524 /nfs/dbraw/zinc/21/25/24/1071212524.db2.gz VSMZGCYTQBNVCK-CVDCTZTESA-N 1 1 451.567 3.975 20 30 JHEDMO C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccccc1C[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC001310214531 1071212530 /nfs/dbraw/zinc/21/25/30/1071212530.db2.gz VSMZGCYTQBNVCK-CVDCTZTESA-N 1 1 451.567 3.975 20 30 JHEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(C#N)o2)C[C@H]1C ZINC001313859192 1071363053 /nfs/dbraw/zinc/36/30/53/1071363053.db2.gz FLCYFHATRKRJMH-HZPDHXFCSA-N 1 1 456.497 3.978 20 30 JHEDMO C[N@H+]1CCN(CCn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@](C)(C#N)C2)CC1(C)C ZINC001314930459 1071373550 /nfs/dbraw/zinc/37/35/50/1071373550.db2.gz FVFYINFDGAFMMP-DEOSSOPVSA-N 1 1 456.038 3.755 20 30 JHEDMO CN1CC[N@H+](CCn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@](C)(C#N)C2)CC1(C)C ZINC001314930459 1071373562 /nfs/dbraw/zinc/37/35/62/1071373562.db2.gz FVFYINFDGAFMMP-DEOSSOPVSA-N 1 1 456.038 3.755 20 30 JHEDMO CN1CC[N@@H+](CCn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@](C)(C#N)C2)CC1(C)C ZINC001314930459 1071373573 /nfs/dbraw/zinc/37/35/73/1071373573.db2.gz FVFYINFDGAFMMP-DEOSSOPVSA-N 1 1 456.038 3.755 20 30 JHEDMO CC[N@H+]1CC[C@H](Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2CCC(C#N)CC2)C1 ZINC001313887906 1071475049 /nfs/dbraw/zinc/47/50/49/1071475049.db2.gz YQINONIPBKKOLY-KRWDZBQOSA-N 1 1 473.419 3.798 20 30 JHEDMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001313890104 1071481429 /nfs/dbraw/zinc/48/14/29/1071481429.db2.gz MGSMMUIZLMDGNF-HXUWFJFHSA-N 1 1 479.629 3.652 20 30 JHEDMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001313891911 1071485454 /nfs/dbraw/zinc/48/54/54/1071485454.db2.gz ALNWJFSQPDHLKH-DYESRHJHSA-N 1 1 460.424 3.660 20 30 JHEDMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001313897263 1071502070 /nfs/dbraw/zinc/50/20/70/1071502070.db2.gz WQKFXUWPAFNRQA-JOCHJYFZSA-N 1 1 479.629 3.795 20 30 JHEDMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCCCOC)CC1 ZINC001313908051 1071528899 /nfs/dbraw/zinc/52/88/99/1071528899.db2.gz LPTLVHVJZLZAOH-QHCPKHFHSA-N 1 1 466.630 3.713 20 30 JHEDMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313910604 1071536007 /nfs/dbraw/zinc/53/60/07/1071536007.db2.gz XIFMJGMZXACJGD-YADHBBJMSA-N 1 1 479.629 3.795 20 30 JHEDMO CCN1CC[NH+]([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 ZINC001313929973 1071588004 /nfs/dbraw/zinc/58/80/04/1071588004.db2.gz UMNNLURVSRCDJN-NLFFAJNJSA-N 1 1 470.065 3.678 20 30 JHEDMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+](CC)[C@H](C)C1 ZINC001313937124 1071610191 /nfs/dbraw/zinc/61/01/91/1071610191.db2.gz SZQBXTXSSAOLKT-WOJBJXKFSA-N 1 1 481.645 3.993 20 30 JHEDMO CC[N@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC2CCCCC2)C[C@H]1C ZINC001313942519 1071620213 /nfs/dbraw/zinc/62/02/13/1071620213.db2.gz JDSAPNNMEUVOPS-OAQYLSRUSA-N 1 1 466.630 3.999 20 30 JHEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3ccccc3Br)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001313950772 1071639457 /nfs/dbraw/zinc/63/94/57/1071639457.db2.gz QPONRRDRSHEYFN-MOPGFXCFSA-N 1 1 488.478 3.577 20 30 JHEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313950056 1071637676 /nfs/dbraw/zinc/63/76/76/1071637676.db2.gz MJXASHPSHSRDCX-IBGZPJMESA-N 1 1 487.574 3.789 20 30 JHEDMO 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C[NH+](C)CCN1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(C)(C)C)C2)CC1 ZINC001314671963 1070815957 /nfs/dbraw/zinc/81/59/57/1070815957.db2.gz ZCLWTMDSONMHAY-XMMPIXPASA-N 1 1 463.674 3.963 20 30 JHEDMO CC[NH+](CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)c1ccsc1 ZINC001313675334 1070915166 /nfs/dbraw/zinc/91/51/66/1070915166.db2.gz RUWDCUQKVCBXTL-YADHBBJMSA-N 1 1 498.678 3.585 20 30 JHEDMO CC[NH+](CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)c1ccsc1 ZINC001313675650 1070917249 /nfs/dbraw/zinc/91/72/49/1070917249.db2.gz VIQMAXMIUQVQDF-YADHBBJMSA-N 1 1 498.678 3.585 20 30 JHEDMO CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc(Cl)nc2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001314729619 1070944603 /nfs/dbraw/zinc/94/46/03/1070944603.db2.gz MOLZWKICPWJBCY-UHFFFAOYSA-N 1 1 465.989 3.612 20 30 JHEDMO CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc(Cl)nc2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001314729619 1070944618 /nfs/dbraw/zinc/94/46/18/1070944618.db2.gz MOLZWKICPWJBCY-UHFFFAOYSA-N 1 1 465.989 3.612 20 30 JHEDMO CC[N@@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1)CCC(F)(F)F ZINC001313804478 1071215100 /nfs/dbraw/zinc/21/51/00/1071215100.db2.gz AOVXDBOVCSGXIO-UHFFFAOYSA-N 1 1 494.562 3.926 20 30 JHEDMO CC[N@@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)C(C)C ZINC001313806775 1071226086 /nfs/dbraw/zinc/22/60/86/1071226086.db2.gz XWLDKVZGZMTSED-NRFANRHFSA-N 1 1 481.645 3.898 20 30 JHEDMO CC[N@@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)C(C)C ZINC001313807175 1071227051 /nfs/dbraw/zinc/22/70/51/1071227051.db2.gz FSHOCXHBLJGYBW-UHFFFAOYSA-N 1 1 462.520 3.895 20 30 JHEDMO CC[N@@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C(C)C ZINC001313807336 1071228208 /nfs/dbraw/zinc/22/82/08/1071228208.db2.gz KKKNGKRXSFFQEV-JOCHJYFZSA-N 1 1 479.673 3.926 20 30 JHEDMO C[N@H+]1CCC[C@@H](N2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)C1 ZINC001310249014 1071236353 /nfs/dbraw/zinc/23/63/53/1071236353.db2.gz TZGDUXUCLJDNEM-JOCHJYFZSA-N 1 1 451.546 3.520 20 30 JHEDMO 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JHEDMO CC[N@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OCC(F)(F)F)C[C@@H]1C ZINC001313932749 1071596139 /nfs/dbraw/zinc/59/61/39/1071596139.db2.gz LTRVNFVWCNBMDJ-KRWDZBQOSA-N 1 1 485.514 3.732 20 30 JHEDMO CC[N@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313935422 1071605905 /nfs/dbraw/zinc/60/59/05/1071605905.db2.gz ZPRJCGWKVHZJTQ-UGKGYDQZSA-N 1 1 479.629 3.747 20 30 JHEDMO CC[NH+]1CCN(CCCCn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@](C)(C#N)C2)CC1 ZINC001313954430 1071651727 /nfs/dbraw/zinc/65/17/27/1071651727.db2.gz QPRSKDVHVVNIKC-AREMUKBSSA-N 1 1 467.637 3.556 20 30 JHEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001313957273 1071659971 /nfs/dbraw/zinc/65/99/71/1071659971.db2.gz QIKUZPLSBHLXKV-XMMPIXPASA-N 1 1 493.700 3.878 20 30 JHEDMO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314030389 1071801892 /nfs/dbraw/zinc/80/18/92/1071801892.db2.gz FJHXKAWPKJFVRX-ZFGGDYGUSA-N 1 1 493.656 3.900 20 30 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3.896 20 30 JHEDMO N#Cc1cc2c(nc1N1CC[C@@]3(C1)C[N@@H+](CC1CC1)C[C@@H]3COCc1cccnc1)CCCC2 ZINC001164752253 720910426 /nfs/dbraw/zinc/91/04/26/720910426.db2.gz NUKVOTDJBIJPCG-NAKRPHOHSA-N 1 1 457.622 3.982 20 30 JHEDMO N#Cc1cccc(-c2cc(C(F)(F)N3CCc4[nH+]cc(Cn5cccn5)n4CC3)c(Cl)nn2)c1 ZINC001164861408 721034267 /nfs/dbraw/zinc/03/42/67/721034267.db2.gz HGHXNMZNRABYCC-UHFFFAOYSA-N 1 1 480.910 3.718 20 30 JHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)cc3C#N)C2)C1 ZINC001164784279 721360937 /nfs/dbraw/zinc/36/09/37/721360937.db2.gz RFSGJACXZAFWAZ-OAQYLSRUSA-N 1 1 465.932 3.875 20 30 JHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cnc(Cl)cc3C#N)C2)C1 ZINC001164784279 721360942 /nfs/dbraw/zinc/36/09/42/721360942.db2.gz RFSGJACXZAFWAZ-OAQYLSRUSA-N 1 1 465.932 3.875 20 30 JHEDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cc(F)c(C#N)cc4-c4ccnc(Cl)n4)C3)O2)CC1 ZINC001164886307 721414977 /nfs/dbraw/zinc/41/49/77/721414977.db2.gz IXHAFISSORGRBH-DFBJGRDBSA-N 1 1 485.007 3.573 20 30 JHEDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4ccc(C#N)cc4)C3)O2)CC1 ZINC001164885980 721450131 /nfs/dbraw/zinc/45/01/31/721450131.db2.gz GBJNKWATJQTIHU-BWKNWUBXSA-N 1 1 483.016 3.559 20 30 JHEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc(Cl)nc1C#N)CC2 ZINC001164785291 721455772 /nfs/dbraw/zinc/45/57/72/721455772.db2.gz IGXNXDRJQFMYLH-SFHVURJKSA-N 1 1 468.976 3.885 20 30 JHEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)ccc1C#N)CC2 ZINC001164785697 721460286 /nfs/dbraw/zinc/46/02/86/721460286.db2.gz MTAJTHICSZNTGB-IBGZPJMESA-N 1 1 468.976 3.885 20 30 JHEDMO COc1cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(C#N)c(Cl)n1 ZINC001164903819 721542646 /nfs/dbraw/zinc/54/26/46/721542646.db2.gz DAMAOJJBUHKNND-HOCLYGCPSA-N 1 1 452.864 3.641 20 30 JHEDMO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164912178 721732371 /nfs/dbraw/zinc/73/23/71/721732371.db2.gz MJVYQRXNDRITBW-DVECYGJZSA-N 1 1 484.551 3.558 20 30 JHEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164907765 721751639 /nfs/dbraw/zinc/75/16/39/721751639.db2.gz AITAIVOTNKCWIQ-UHFFFAOYSA-N 1 1 465.941 3.966 20 30 JHEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164907765 721751641 /nfs/dbraw/zinc/75/16/41/721751641.db2.gz AITAIVOTNKCWIQ-UHFFFAOYSA-N 1 1 465.941 3.966 20 30 JHEDMO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938703 721931058 /nfs/dbraw/zinc/93/10/58/721931058.db2.gz FAWUTMZJHATOOK-JOCHJYFZSA-N 1 1 485.588 3.590 20 30 JHEDMO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982817 722101483 /nfs/dbraw/zinc/10/14/83/722101483.db2.gz PETTULMLBLRXNE-QAPCUYQASA-N 1 1 468.335 3.927 20 30 JHEDMO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1F ZINC001164971961 722121754 /nfs/dbraw/zinc/12/17/54/722121754.db2.gz DZXRZVVWSGSFJJ-HOYKHHGWSA-N 1 1 478.959 3.930 20 30 JHEDMO 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CC[C@H]1CCCC[N@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001306317648 1068738830 /nfs/dbraw/zinc/73/88/30/1068738830.db2.gz AZBNYRZBYFEYQD-QHCPKHFHSA-N 1 1 477.657 3.776 20 30 JHEDMO CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)s2)CC[N@H+]1CCOC ZINC001306406952 1068879723 /nfs/dbraw/zinc/87/97/23/1068879723.db2.gz RPNHJQHLTCANMW-NRFANRHFSA-N 1 1 450.612 3.782 20 30 JHEDMO CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCCC2)CC[N@H+]1CCOC ZINC001306451825 1068971718 /nfs/dbraw/zinc/97/17/18/1068971718.db2.gz NQWSAHFSMYXGOV-QHCPKHFHSA-N 1 1 466.630 3.856 20 30 JHEDMO CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)nc1 ZINC001164696940 719783192 /nfs/dbraw/zinc/78/31/92/719783192.db2.gz WSIUOGHWZRQVFZ-LEAFIULHSA-N 1 1 489.620 3.529 20 30 JHEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(C#N)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164712732 720132175 /nfs/dbraw/zinc/13/21/75/720132175.db2.gz OSDNYDYUMXLQNF-QFIPXVFZSA-N 1 1 476.625 3.840 20 30 JHEDMO 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Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc(-c5ccc(C#N)cc5)nnc4Cl)C[C@@H]3C2)cn1 ZINC001164764759 721246531 /nfs/dbraw/zinc/24/65/31/721246531.db2.gz PTIYITRPPIVQHO-PMACEKPBSA-N 1 1 483.954 3.905 20 30 JHEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(OC)nc(Cl)c1C#N)CC2 ZINC001164782702 721462415 /nfs/dbraw/zinc/46/24/15/721462415.db2.gz BAXKLSGLGZZRCA-SFHVURJKSA-N 1 1 499.002 3.894 20 30 JHEDMO Cc1ccc([C@H](C#N)c2ccc(N3C[C@H]([N@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nn2)cc1 ZINC001164807786 721531051 /nfs/dbraw/zinc/53/10/51/721531051.db2.gz RGSOOHPGYTXJAI-IXPOFIJOSA-N 1 1 454.578 3.704 20 30 JHEDMO Cc1ccc([C@H](C#N)c2ccc(N3C[C@H]([N@@H+](C)Cc4cccnc4)[C@H]4OCCC[C@@H]43)nn2)cc1 ZINC001164807786 721531053 /nfs/dbraw/zinc/53/10/53/721531053.db2.gz RGSOOHPGYTXJAI-IXPOFIJOSA-N 1 1 454.578 3.704 20 30 JHEDMO CSc1nc(Cl)c(C=NO)c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907479 721694907 /nfs/dbraw/zinc/69/49/07/721694907.db2.gz UDYPTMQAZJQZFK-IBGZPJMESA-N 1 1 468.961 3.793 20 30 JHEDMO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164912938 721724588 /nfs/dbraw/zinc/72/45/88/721724588.db2.gz RINACHAHRWVAPL-KBMIEXCESA-N 1 1 492.530 3.543 20 30 JHEDMO CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995567 722211365 /nfs/dbraw/zinc/21/13/65/722211365.db2.gz JSIBSPOFRHBSGI-NBGIEHNGSA-N 1 1 451.546 3.809 20 30 JHEDMO C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001311493271 1069404310 /nfs/dbraw/zinc/40/43/10/1069404310.db2.gz LGJDVOIYRCRDRD-CPJSRVTESA-N 1 1 459.594 3.927 20 30 JHEDMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001306679772 1069405951 /nfs/dbraw/zinc/40/59/51/1069405951.db2.gz JTCHQKVHPRLDRG-DEOSSOPVSA-N 1 1 498.697 3.732 20 30 JHEDMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)CC1 ZINC001306680730 1069408712 /nfs/dbraw/zinc/40/87/12/1069408712.db2.gz ZZMIZDLVPOBSCD-UHFFFAOYSA-N 1 1 487.652 3.821 20 30 JHEDMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001306724129 1069464814 /nfs/dbraw/zinc/46/48/14/1069464814.db2.gz WJXHHADTISJCOD-UKILVPOCSA-N 1 1 477.657 3.776 20 30 JHEDMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(CC)nnc1N1CCN(c2cccc(F)c2C#N)CC1 ZINC001306729106 1069477161 /nfs/dbraw/zinc/47/71/61/1069477161.db2.gz WCNNPSMMHYGEEV-HXUWFJFHSA-N 1 1 453.610 3.832 20 30 JHEDMO CCCCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](C)[NH+]2CCOCC2)cc1OC ZINC001306747838 1069536095 /nfs/dbraw/zinc/53/60/95/1069536095.db2.gz WERIHNIKQIMDAK-JIPXPUAJSA-N 1 1 496.656 3.983 20 30 JHEDMO CCC[N@@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C#N)o2)C1 ZINC001306787610 1069591846 /nfs/dbraw/zinc/59/18/46/1069591846.db2.gz AYEAHSFABXPLIJ-STZQEDGTSA-N 1 1 454.619 3.878 20 30 JHEDMO CCC[N@@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001306807119 1069620840 /nfs/dbraw/zinc/62/08/40/1069620840.db2.gz OQXVQPMOFDNARH-UHFFFAOYSA-N 1 1 462.520 3.896 20 30 JHEDMO CCC[N@@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 ZINC001306807699 1069622855 /nfs/dbraw/zinc/62/28/55/1069622855.db2.gz YCYKHHAOGPGEDI-HSZRJFAPSA-N 1 1 461.618 3.599 20 30 JHEDMO CCC[N@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001307039805 1069764888 /nfs/dbraw/zinc/76/48/88/1069764888.db2.gz SUJWWRNCLYMVBH-RBBKRZOGSA-N 1 1 479.629 3.652 20 30 JHEDMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@](F)(C#N)C1 ZINC001307053512 1069813137 /nfs/dbraw/zinc/81/31/37/1069813137.db2.gz DDOHSBBAJJCUJE-HOYKHHGWSA-N 1 1 456.566 3.669 20 30 JHEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC001307411905 1069971003 /nfs/dbraw/zinc/97/10/03/1069971003.db2.gz AFYUEEWPKXDUPU-UXHICEINSA-N 1 1 450.587 3.528 20 30 JHEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC001307411905 1069971006 /nfs/dbraw/zinc/97/10/06/1069971006.db2.gz AFYUEEWPKXDUPU-UXHICEINSA-N 1 1 450.587 3.528 20 30 JHEDMO CCC[N@@H+](CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccc(C#N)cc1 ZINC001307413585 1069972517 /nfs/dbraw/zinc/97/25/17/1069972517.db2.gz ALHJNKQAPJXZPV-UHFFFAOYSA-N 1 1 454.596 3.584 20 30 JHEDMO Cc1ccc(C[N@H+](CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C(C)C)s1 ZINC001307427997 1069979702 /nfs/dbraw/zinc/97/97/02/1069979702.db2.gz LYGYYKHIXVSQTM-UHFFFAOYSA-N 1 1 453.568 3.735 20 30 JHEDMO C#C[C@@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC)c1ccc(Br)cc1 ZINC001312884504 1070166403 /nfs/dbraw/zinc/16/64/03/1070166403.db2.gz HQDRWOFWGPDHDL-YMPZKCBVSA-N 1 1 470.411 3.960 20 30 JHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@H+](CCC(N)=O)[C@H]1CCOc2ccccc21 ZINC001307771032 1070176014 /nfs/dbraw/zinc/17/60/14/1070176014.db2.gz WWHAUDKDINPQJT-XLIONFOSSA-N 1 1 452.580 3.721 20 30 JHEDMO C[C@H](CC#N)Sc1ccccc1NC(=O)C[N@@H+](CCC(N)=O)[C@H]1CCOc2ccccc21 ZINC001307771032 1070176018 /nfs/dbraw/zinc/17/60/18/1070176018.db2.gz WWHAUDKDINPQJT-XLIONFOSSA-N 1 1 452.580 3.721 20 30 JHEDMO CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001314378712 1070221952 /nfs/dbraw/zinc/22/19/52/1070221952.db2.gz OSWHRWNRSGAUIW-ZEQRLZLVSA-N 1 1 493.700 3.767 20 30 JHEDMO CC(C)(C)c1csc(CC2(O)CC[NH+]([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n1 ZINC001308007807 1070276319 /nfs/dbraw/zinc/27/63/19/1070276319.db2.gz XJAIFFKOBLPYJR-HXUWFJFHSA-N 1 1 452.624 3.877 20 30 JHEDMO CCOCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001314458365 1070359421 /nfs/dbraw/zinc/35/94/21/1070359421.db2.gz XFZUKOGYXAGPLL-XMMPIXPASA-N 1 1 466.630 3.573 20 30 JHEDMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001313448643 1070371534 /nfs/dbraw/zinc/37/15/34/1070371534.db2.gz SIEQTVOVMKJQGX-NQIIRXRSSA-N 1 1 475.563 3.764 20 30 JHEDMO CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001314490060 1070401530 /nfs/dbraw/zinc/40/15/30/1070401530.db2.gz IRICOECTWBZGRI-GMAHTHKFSA-N 1 1 466.630 3.856 20 30 JHEDMO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@H]1CC ZINC001314496439 1070417281 /nfs/dbraw/zinc/41/72/81/1070417281.db2.gz QVOLXIRUKYUPCV-OAQYLSRUSA-N 1 1 450.612 3.864 20 30 JHEDMO CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CC[N@@H+](C)C(C)(C)C1)C1CCCC1 ZINC001313619146 1070744820 /nfs/dbraw/zinc/74/48/20/1070744820.db2.gz JVDBGSFSVFBAJD-UHFFFAOYSA-N 1 1 465.646 3.524 20 30 JHEDMO CC[NH+](CC)[C@H](C)Cn1c(CCCc2ccccc2)nnc1N1CCc2[nH]c(=O)c(C#N)cc2C1 ZINC001313665654 1070881275 /nfs/dbraw/zinc/88/12/75/1070881275.db2.gz FXGZKKYJRUAWFF-HXUWFJFHSA-N 1 1 473.625 3.719 20 30 JHEDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC1CC(F)(F)C1 ZINC001314713557 1070901315 /nfs/dbraw/zinc/90/13/15/1070901315.db2.gz KNUUECAOEBDIAE-UHFFFAOYSA-N 1 1 458.557 3.657 20 30 JHEDMO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001313696371 1070963264 /nfs/dbraw/zinc/96/32/64/1070963264.db2.gz VERRGDPPVLPHRX-VXKWHMMOSA-N 1 1 479.673 3.627 20 30 JHEDMO CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313783620 1071151322 /nfs/dbraw/zinc/15/13/22/1071151322.db2.gz SVJNKIKDIWTRJI-IMSXRSKXSA-N 1 1 496.656 3.622 20 30 JHEDMO C[N@@H+](CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 ZINC001314852178 1071226095 /nfs/dbraw/zinc/22/60/95/1071226095.db2.gz QCSDAHHIRBEJJJ-QFIPXVFZSA-N 1 1 473.021 3.894 20 30 JHEDMO CC[N@@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1)CCC(F)(F)F ZINC001313806850 1071226631 /nfs/dbraw/zinc/22/66/31/1071226631.db2.gz ZTTQWHOAUHPMTH-YLJYHZDGSA-N 1 1 464.536 3.952 20 30 JHEDMO CC[N@@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCCC2=O)CC1)C(C)C ZINC001313807706 1071229647 /nfs/dbraw/zinc/22/96/47/1071229647.db2.gz VXLIIVMTQDPZJC-UHFFFAOYSA-N 1 1 463.630 3.528 20 30 JHEDMO CC[N@@H+](CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)C(C)C ZINC001313819886 1071275378 /nfs/dbraw/zinc/27/53/78/1071275378.db2.gz DPGYMZVHDADDPV-UHFFFAOYSA-N 1 1 493.059 3.846 20 30 JHEDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(Br)n2)C[C@H]1C ZINC001313859966 1071366350 /nfs/dbraw/zinc/36/63/50/1071366350.db2.gz JJSZSHJYPLSQJG-SJORKVTESA-N 1 1 480.414 3.941 20 30 JHEDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(Br)n2)C[C@@H]1C ZINC001313859964 1071366386 /nfs/dbraw/zinc/36/63/86/1071366386.db2.gz JJSZSHJYPLSQJG-IRXDYDNUSA-N 1 1 480.414 3.941 20 30 JHEDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313869026 1071407361 /nfs/dbraw/zinc/40/73/61/1071407361.db2.gz PLUUHPGBNHISLH-ROUUACIJSA-N 1 1 463.552 3.620 20 30 JHEDMO CC[N@H+]1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001313891546 1071485317 /nfs/dbraw/zinc/48/53/17/1071485317.db2.gz XIGDAKKPDWVBHO-LJQANCHMSA-N 1 1 465.989 3.755 20 30 JHEDMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001313913748 1071544412 /nfs/dbraw/zinc/54/44/12/1071544412.db2.gz LRUWMLWUKVWAON-TZIWHRDSSA-N 1 1 452.603 3.607 20 30 JHEDMO CC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001313913746 1071544471 /nfs/dbraw/zinc/54/44/71/1071544471.db2.gz LRUWMLWUKVWAON-PZJWPPBQSA-N 1 1 452.603 3.607 20 30 JHEDMO CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC001315028614 1071556415 /nfs/dbraw/zinc/55/64/15/1071556415.db2.gz ICWXMNNVSYDGLZ-HSZRJFAPSA-N 1 1 463.630 3.576 20 30 JHEDMO CCN1CC[NH+]([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001313924437 1071570422 /nfs/dbraw/zinc/57/04/22/1071570422.db2.gz FVRNXAPQPDPUKB-NQIIRXRSSA-N 1 1 475.563 3.621 20 30 JHEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(N(Cc3ccc(C#N)cc3)C3CC3)nnc2C(C)(C)C)CC1 ZINC001313953345 1071648371 /nfs/dbraw/zinc/64/83/71/1071648371.db2.gz XRPQIJVMLOMODB-NRFANRHFSA-N 1 1 463.674 3.890 20 30 JHEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(N(Cc3ccc(C#N)cc3)C3CC3)nnc2C(C)(C)C)CC1 ZINC001313953347 1071648494 /nfs/dbraw/zinc/64/84/94/1071648494.db2.gz XRPQIJVMLOMODB-OAQYLSRUSA-N 1 1 463.674 3.890 20 30 JHEDMO CC[NH+]1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2scnc2C)CC1 ZINC001313955695 1071656047 /nfs/dbraw/zinc/65/60/47/1071656047.db2.gz YPUQMGWGBOUBOW-UHFFFAOYSA-N 1 1 478.670 3.636 20 30 JHEDMO CCNC(=O)C(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001313963864 1071679084 /nfs/dbraw/zinc/67/90/84/1071679084.db2.gz ORKVLIAARHPBCN-FQEVSTJZSA-N 1 1 465.646 3.538 20 30 JHEDMO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC001314028085 1071794242 /nfs/dbraw/zinc/79/42/42/1071794242.db2.gz PVECORUCBQRGTC-MIZPHKNDSA-N 1 1 481.645 3.896 20 30 JHEDMO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2sc(C)nc2C)CC[N@H+]1CCOC ZINC001306405456 1068873727 /nfs/dbraw/zinc/87/37/27/1068873727.db2.gz OQJFTNWGDMUFKD-JOCHJYFZSA-N 1 1 479.654 3.680 20 30 JHEDMO CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CCN1CCOC ZINC001306406541 1068876889 /nfs/dbraw/zinc/87/68/89/1068876889.db2.gz ZCSOXEABAUQIOZ-RSXGOPAZSA-N 1 1 493.700 3.732 20 30 JHEDMO 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CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCSC2)CC[N@H+]1CCOC ZINC001306623676 1069316041 /nfs/dbraw/zinc/31/60/41/1069316041.db2.gz ULQWCRVMWBBQJK-FYYLOGMGSA-N 1 1 468.671 3.897 20 30 JHEDMO C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001311493268 1069404206 /nfs/dbraw/zinc/40/42/06/1069404206.db2.gz LGJDVOIYRCRDRD-CJFMBICVSA-N 1 1 459.594 3.927 20 30 JHEDMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001306724076 1069464730 /nfs/dbraw/zinc/46/47/30/1069464730.db2.gz WFKWYLFMNQMBNA-DEOSSOPVSA-N 1 1 477.657 3.953 20 30 JHEDMO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC[N@@H+](CCC)C2)C1 ZINC001306737284 1069506391 /nfs/dbraw/zinc/50/63/91/1069506391.db2.gz OAIARHJSABFZTL-LADGPHEKSA-N 1 1 477.657 3.681 20 30 JHEDMO CCCCOc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1OC ZINC001306747837 1069536249 /nfs/dbraw/zinc/53/62/49/1069536249.db2.gz WERIHNIKQIMDAK-IDISGSTGSA-N 1 1 496.656 3.983 20 30 JHEDMO 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CCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+]1CCOCC1 ZINC001313789415 1071179165 /nfs/dbraw/zinc/17/91/65/1071179165.db2.gz LQVWXDRKMQGWNU-UHFFFAOYSA-N 1 1 450.612 3.670 20 30 JHEDMO CC[N@@H+](CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@](F)(C#N)C1)C1CC1 ZINC001313802367 1071208310 /nfs/dbraw/zinc/20/83/10/1071208310.db2.gz FHIMIHPSKAXSEP-NRFANRHFSA-N 1 1 477.382 3.642 20 30 JHEDMO CC[N@@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1)CCC(F)(F)F ZINC001313805627 1071220683 /nfs/dbraw/zinc/22/06/83/1071220683.db2.gz MJMXEZQPBJLJFV-IBGZPJMESA-N 1 1 469.443 3.570 20 30 JHEDMO C[N@@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](F)(C#N)C1)C1CCCCC1 ZINC001314858542 1071244431 /nfs/dbraw/zinc/24/44/31/1071244431.db2.gz KDFLXIDGPLVYPN-FQEVSTJZSA-N 1 1 464.387 3.742 20 30 JHEDMO C[N@H+]1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1(C)C ZINC001314932075 1071378542 /nfs/dbraw/zinc/37/85/42/1071378542.db2.gz YWEXUXFUTPUQIZ-QHCPKHFHSA-N 1 1 479.673 3.627 20 30 JHEDMO CN1CC[N@H+](CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1(C)C ZINC001314932075 1071378556 /nfs/dbraw/zinc/37/85/56/1071378556.db2.gz YWEXUXFUTPUQIZ-QHCPKHFHSA-N 1 1 479.673 3.627 20 30 JHEDMO CN1CC[N@@H+](CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1(C)C ZINC001314932075 1071378568 /nfs/dbraw/zinc/37/85/68/1071378568.db2.gz YWEXUXFUTPUQIZ-QHCPKHFHSA-N 1 1 479.673 3.627 20 30 JHEDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)C[C@H]1C ZINC001313864125 1071385501 /nfs/dbraw/zinc/38/55/01/1071385501.db2.gz XGBDFRXACBWORB-UXHICEINSA-N 1 1 463.630 3.527 20 30 JHEDMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CC#N)CC1 ZINC001313895136 1071495705 /nfs/dbraw/zinc/49/57/05/1071495705.db2.gz YTGCPAHQDVSXEL-GOSISDBHSA-N 1 1 460.424 3.660 20 30 JHEDMO CC[N@H+]1CCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(C#N)CC1 ZINC001313896407 1071500228 /nfs/dbraw/zinc/50/02/28/1071500228.db2.gz OWMAWUPYFCJKLU-NRFANRHFSA-N 1 1 452.603 3.965 20 30 JHEDMO CC[N@H+]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001313897617 1071503220 /nfs/dbraw/zinc/50/32/20/1071503220.db2.gz ZRIGVBFKJTWLBO-FYYLOGMGSA-N 1 1 477.657 3.680 20 30 JHEDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001313920776 1071560035 /nfs/dbraw/zinc/56/00/35/1071560035.db2.gz MJGXRVGKRWZDOK-PMACEKPBSA-N 1 1 469.703 3.897 20 30 JHEDMO CC[N@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001313932958 1071597372 /nfs/dbraw/zinc/59/73/72/1071597372.db2.gz NAZAYAXUCITMAO-QGZVFWFLSA-N 1 1 485.514 3.840 20 30 JHEDMO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+](CC)[C@@H](C)C1 ZINC001313937122 1071610216 /nfs/dbraw/zinc/61/02/16/1071610216.db2.gz SZQBXTXSSAOLKT-VQTJNVASSA-N 1 1 481.645 3.993 20 30 JHEDMO CC[N@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ccc(C#N)o2)C[C@@H]1C ZINC001313937476 1071610799 /nfs/dbraw/zinc/61/07/99/1071610799.db2.gz VAJULUXBSFJRCI-AWEZNQCLSA-N 1 1 473.350 3.890 20 30 JHEDMO CC[NH+]1CCN(CCCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001313954956 1071652536 /nfs/dbraw/zinc/65/25/36/1071652536.db2.gz QUMXFZTYARLGDX-UHFFFAOYSA-N 1 1 471.053 3.541 20 30 JHEDMO CCN1CC[NH+](CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001313961518 1071672884 /nfs/dbraw/zinc/67/28/84/1071672884.db2.gz UCKLOHGDOKQJCN-ISKFKSNPSA-N 1 1 479.673 3.771 20 30 JHEDMO CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](CC)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC001314063131 1071903265 /nfs/dbraw/zinc/90/32/65/1071903265.db2.gz OWQNAQBFGLCAKC-ICDZXHCJSA-N 1 1 480.657 3.815 20 30 JHEDMO CCO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001314064980 1071909486 /nfs/dbraw/zinc/90/94/86/1071909486.db2.gz ZCTATDJQXPZFOO-OFVILXPXSA-N 1 1 480.657 3.957 20 30 JHEDMO CCO[C@H](CCn1c(-c2cccnc2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(C)C ZINC001314067113 1071914565 /nfs/dbraw/zinc/91/45/65/1071914565.db2.gz WLCKKMUGSHJXOI-RUZDIDTESA-N 1 1 473.625 3.985 20 30 JHEDMO CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC001305938740 1068245057 /nfs/dbraw/zinc/24/50/57/1068245057.db2.gz BPMDABFJJCEAJH-WXVAWEFUSA-N 1 1 463.674 3.911 20 30 JHEDMO CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC001305941952 1068252733 /nfs/dbraw/zinc/25/27/33/1068252733.db2.gz UJBNDLWEZCWFFH-ZEQKJWHPSA-N 1 1 450.631 3.874 20 30 JHEDMO CCc1nc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)cs1 ZINC001306030671 1068429997 /nfs/dbraw/zinc/42/99/97/1068429997.db2.gz WVVNTYPDTQKLJI-LJQANCHMSA-N 1 1 479.654 3.973 20 30 JHEDMO CCc1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001306180071 1068570477 /nfs/dbraw/zinc/57/04/77/1068570477.db2.gz DWDZVDURRMFQQP-AREMUKBSSA-N 1 1 462.598 3.542 20 30 JHEDMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 ZINC001306320134 1068748101 /nfs/dbraw/zinc/74/81/01/1068748101.db2.gz QESQMBBJSBOPFK-DVECYGJZSA-N 1 1 456.566 3.669 20 30 JHEDMO C[N@H+]1CC[C@@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001310521786 1068998141 /nfs/dbraw/zinc/99/81/41/1068998141.db2.gz ZEQTZPLYTWCIAQ-JXFKEZNVSA-N 1 1 453.909 3.746 20 30 JHEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001164728338 720405106 /nfs/dbraw/zinc/40/51/06/720405106.db2.gz SZTJTKDIRXDILS-QZTJIDSGSA-N 1 1 461.900 3.576 20 30 JHEDMO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@@H]2[C@H]1CC[N@H+]2Cc1cccnc1 ZINC001164728338 720405111 /nfs/dbraw/zinc/40/51/11/720405111.db2.gz SZTJTKDIRXDILS-QZTJIDSGSA-N 1 1 461.900 3.576 20 30 JHEDMO CC(C)[N@@H+]1[C@@H]2CCN(c3ccc([C@H](C#N)c4ccccc4F)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838516 720565809 /nfs/dbraw/zinc/56/58/09/720565809.db2.gz OFGNTJHWPUQZCH-BVVSVSJTSA-N 1 1 459.573 3.845 20 30 JHEDMO N#Cc1ccc(-c2cc(C(F)(F)N3CC[N@@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)cnc2Cl)cc1 ZINC001164742828 720806930 /nfs/dbraw/zinc/80/69/30/720806930.db2.gz FEMKLZFGOAEIQH-UXHICEINSA-N 1 1 482.922 3.950 20 30 JHEDMO N#Cc1ccc(-c2cc(C(F)(F)N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)cnc2Cl)cc1 ZINC001164742828 720806931 /nfs/dbraw/zinc/80/69/31/720806931.db2.gz FEMKLZFGOAEIQH-UXHICEINSA-N 1 1 482.922 3.950 20 30 JHEDMO COCC[N@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C#N)c4)c3)CC[C@H]2C1 ZINC001164861981 720892313 /nfs/dbraw/zinc/89/23/13/720892313.db2.gz ZWMZNHKCUDUHCY-SIKLNZKXSA-N 1 1 476.955 3.992 20 30 JHEDMO N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164870112 721186347 /nfs/dbraw/zinc/18/63/47/721186347.db2.gz SRWSHLBOAQUTDL-FPOVZHCZSA-N 1 1 462.941 3.669 20 30 JHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(C#N)c3)C2)C1 ZINC001164777401 721349375 /nfs/dbraw/zinc/34/93/75/721349375.db2.gz GSXOPNHSFVNTFI-OAQYLSRUSA-N 1 1 465.932 3.875 20 30 JHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nc(C#N)c3)C2)C1 ZINC001164777401 721349376 /nfs/dbraw/zinc/34/93/76/721349376.db2.gz GSXOPNHSFVNTFI-OAQYLSRUSA-N 1 1 465.932 3.875 20 30 JHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)C2)C1 ZINC001164787007 721375078 /nfs/dbraw/zinc/37/50/78/721375078.db2.gz WTXUTTCHJPJRQO-VWLOTQADSA-N 1 1 476.537 3.739 20 30 JHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)C2)C1 ZINC001164787007 721375080 /nfs/dbraw/zinc/37/50/80/721375080.db2.gz WTXUTTCHJPJRQO-VWLOTQADSA-N 1 1 476.537 3.739 20 30 JHEDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)c4C#N)C3)O2)CC1 ZINC001164885606 721383946 /nfs/dbraw/zinc/38/39/46/721383946.db2.gz CVFMLMPMAOLBJX-QRWLVFNGSA-N 1 1 474.383 3.570 20 30 JHEDMO CSc1nc(-c2ccccc2)nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)c1C#N ZINC001164885147 721421151 /nfs/dbraw/zinc/42/11/51/721421151.db2.gz FYDYQKKLWDCXOZ-HFZDXXHNSA-N 1 1 478.666 3.503 20 30 JHEDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4ccc(C#N)cc4)C3)O2)CC1 ZINC001164885987 721450354 /nfs/dbraw/zinc/45/03/54/721450354.db2.gz GBJNKWATJQTIHU-SQJMNOBHSA-N 1 1 483.016 3.559 20 30 JHEDMO C[NH+](C)[C@H]1CCCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001165037841 721895507 /nfs/dbraw/zinc/89/55/07/721895507.db2.gz ZMRVGRGIVHSDEG-UWJYYQICSA-N 1 1 469.998 3.852 20 30 JHEDMO C[NH+]1CCC(Oc2ccnc(N3CCC[C@@]4(C3)COCCN(c3cccc(C#N)c3)C4)c2)CC1 ZINC001165005483 722259084 /nfs/dbraw/zinc/25/90/84/722259084.db2.gz XNZPFRGEDRRGGC-HHHXNRCGSA-N 1 1 461.610 3.550 20 30 JHEDMO CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CCCC[C@@H]2CC)CCO1 ZINC001306633270 1069336201 /nfs/dbraw/zinc/33/62/01/1069336201.db2.gz RULXSOHNHBATSE-UPVQGACJSA-N 1 1 466.630 3.999 20 30 JHEDMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC#N ZINC001306722334 1069459626 /nfs/dbraw/zinc/45/96/26/1069459626.db2.gz HDNIAHBYNRTAOO-UXHICEINSA-N 1 1 486.690 3.631 20 30 JHEDMO CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc[nH+]c2C)C1 ZINC001306726578 1069470478 /nfs/dbraw/zinc/47/04/78/1069470478.db2.gz DXCNWIOZICJZJY-XXBNENTESA-N 1 1 474.613 3.543 20 30 JHEDMO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC001311852831 1069580342 /nfs/dbraw/zinc/58/03/42/1069580342.db2.gz XIOJFUAZGLCLSK-HXUWFJFHSA-N 1 1 450.583 3.950 20 30 JHEDMO CCC[N@@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C#N)o2)C1 ZINC001306787611 1069591825 /nfs/dbraw/zinc/59/18/25/1069591825.db2.gz AYEAHSFABXPLIJ-VLCRHTCISA-N 1 1 454.619 3.878 20 30 JHEDMO CCC[N@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001307032566 1069745527 /nfs/dbraw/zinc/74/55/27/1069745527.db2.gz DXHLNDMAGPOLIH-ICSRJNTNSA-N 1 1 475.563 3.621 20 30 JHEDMO CCC[N@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001307064493 1069866652 /nfs/dbraw/zinc/86/66/52/1069866652.db2.gz BQWWYBJSNKQTKA-QFIPXVFZSA-N 1 1 466.630 3.999 20 30 JHEDMO CCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001312470335 1069957172 /nfs/dbraw/zinc/95/71/72/1069957172.db2.gz ONAMCWIBACAXPD-VXSCBNMQSA-N 1 1 455.603 3.612 20 30 JHEDMO CCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001312470334 1069957210 /nfs/dbraw/zinc/95/72/10/1069957210.db2.gz ONAMCWIBACAXPD-RYFAJOAYSA-N 1 1 455.603 3.612 20 30 JHEDMO N#Cc1cc2c(n(CC(=O)c3ccc(C(F)(F)F)cn3)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC001307374135 1069964415 /nfs/dbraw/zinc/96/44/15/1069964415.db2.gz UNBIVUXWNJLZSV-UHFFFAOYSA-N 1 1 452.436 3.575 20 30 JHEDMO N#Cc1cc2c(n(CC(=O)c3ccc(C(F)(F)F)cn3)c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC001307374135 1069964427 /nfs/dbraw/zinc/96/44/27/1069964427.db2.gz UNBIVUXWNJLZSV-UHFFFAOYSA-N 1 1 452.436 3.575 20 30 JHEDMO N#Cc1cc2c(n(CC(=O)Nc3ccc(F)c(Cl)c3)c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC001307373087 1069964662 /nfs/dbraw/zinc/96/46/62/1069964662.db2.gz IERBJUZGBYGTEM-UHFFFAOYSA-N 1 1 450.901 3.709 20 30 JHEDMO C[C@@H]([NH2+]CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1cc(Cl)ccc1F ZINC001307611628 1070081839 /nfs/dbraw/zinc/08/18/39/1070081839.db2.gz QPKWPLPWJWUIOG-CQSZACIVSA-N 1 1 457.893 3.598 20 30 JHEDMO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1C#N ZINC001307646523 1070099373 /nfs/dbraw/zinc/09/93/73/1070099373.db2.gz YVLUCLKONYJCBW-UHFFFAOYSA-N 1 1 454.663 3.521 20 30 JHEDMO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)CC1 ZINC001307850486 1070211160 /nfs/dbraw/zinc/21/11/60/1070211160.db2.gz QTTHGJNYASSVFG-VWNXMTODSA-N 1 1 456.512 3.520 20 30 JHEDMO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)CC1 ZINC001307850486 1070211174 /nfs/dbraw/zinc/21/11/74/1070211174.db2.gz QTTHGJNYASSVFG-VWNXMTODSA-N 1 1 456.512 3.520 20 30 JHEDMO N#Cc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3)CC2)cc1 ZINC001313039297 1070230750 /nfs/dbraw/zinc/23/07/50/1070230750.db2.gz ACKMEKTZSXTOJW-JWQCQUIFSA-N 1 1 459.594 3.517 20 30 JHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001307961633 1070259374 /nfs/dbraw/zinc/25/93/74/1070259374.db2.gz HHIBPGCNIOMQDM-MHPIHPPYSA-N 1 1 456.587 3.710 20 30 JHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001307961633 1070259386 /nfs/dbraw/zinc/25/93/86/1070259386.db2.gz HHIBPGCNIOMQDM-MHPIHPPYSA-N 1 1 456.587 3.710 20 30 JHEDMO CCOC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2CCCO[C@H](C)C2)C1 ZINC001314417732 1070284952 /nfs/dbraw/zinc/28/49/52/1070284952.db2.gz FIQJEPYGOKHOJU-FYYLOGMGSA-N 1 1 466.630 3.571 20 30 JHEDMO CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC001314441045 1070330231 /nfs/dbraw/zinc/33/02/31/1070330231.db2.gz FBSLXSMUFHCXNO-FUPPJEDESA-N 1 1 466.630 3.712 20 30 JHEDMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001313447706 1070368062 /nfs/dbraw/zinc/36/80/62/1070368062.db2.gz NAQGNEUBHXCBMP-VDGAXYAQSA-N 1 1 462.520 3.847 20 30 JHEDMO CCC[N@H+]1CCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001313449655 1070374977 /nfs/dbraw/zinc/37/49/77/1070374977.db2.gz YZTUTARZXZBOGD-FNZWTVRRSA-N 1 1 482.629 3.975 20 30 JHEDMO N#Cc1ccc(Br)c(C[NH2+]Cc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)c1 ZINC001308424518 1070373707 /nfs/dbraw/zinc/37/37/07/1070373707.db2.gz KRSJMNFUQBGRHF-UHFFFAOYSA-N 1 1 453.340 3.980 20 30 JHEDMO C=CCOc1c(Br)cc(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1OC ZINC001308489927 1070380945 /nfs/dbraw/zinc/38/09/45/1070380945.db2.gz DJSLCSGSGOQHGX-FQEVSTJZSA-N 1 1 451.317 3.928 20 30 JHEDMO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCO[C@H](C)C2)C[C@H]1CC ZINC001314496496 1070417998 /nfs/dbraw/zinc/41/79/98/1070417998.db2.gz RJYHPYLSURGGDA-TZBSWOFLSA-N 1 1 480.657 3.959 20 30 JHEDMO CCS[C@@H](C)c1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC[N@@H+]2CC=CCC2)n1 ZINC001314577356 1070586495 /nfs/dbraw/zinc/58/64/95/1070586495.db2.gz PDNMOXCXNHUFKR-SFHVURJKSA-N 1 1 478.626 3.912 20 30 JHEDMO CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001313520609 1070586848 /nfs/dbraw/zinc/58/68/48/1070586848.db2.gz DLHMRBPCRZBKAH-RPBOFIJWSA-N 1 1 480.657 3.959 20 30 JHEDMO N#Cc1cc(CS(=O)(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cs1 ZINC001309568877 1070863181 /nfs/dbraw/zinc/86/31/81/1070863181.db2.gz LWLRIMBYKNQHKY-XZOQPEGZSA-N 1 1 455.580 3.846 20 30 JHEDMO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCc2[nH]c(=O)c(C#N)cc2C1 ZINC001313721068 1071022372 /nfs/dbraw/zinc/02/23/72/1071022372.db2.gz DBTWRWBHUFSHPJ-MRXNPFEDSA-N 1 1 465.989 3.864 20 30 JHEDMO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001310130259 1071141561 /nfs/dbraw/zinc/14/15/61/1071141561.db2.gz GGJAPRKWJJRWIA-WOJBJXKFSA-N 1 1 456.612 3.620 20 30 JHEDMO CC[N@@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)c2nccs2)CC1)C(C)C ZINC001313806614 1071225036 /nfs/dbraw/zinc/22/50/36/1071225036.db2.gz VVAWVKDGGBOORW-HXUWFJFHSA-N 1 1 478.670 3.887 20 30 JHEDMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)Nc1cccc(C#Cc2ccccn2)c1 ZINC001310276782 1071260840 /nfs/dbraw/zinc/26/08/40/1071260840.db2.gz SDVOUYAYNPYAMZ-UHFFFAOYSA-N 1 1 453.590 3.811 20 30 JHEDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(C#N)o2)C[C@@H]1C ZINC001313859191 1071362401 /nfs/dbraw/zinc/36/24/01/1071362401.db2.gz FLCYFHATRKRJMH-HOTGVXAUSA-N 1 1 456.497 3.978 20 30 JHEDMO CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccsc2)[NH+](C)C)C[C@H]1C ZINC001313942406 1071620284 /nfs/dbraw/zinc/62/02/84/1071620284.db2.gz IWKPILKLZGIRIY-AUSIDOKSSA-N 1 1 479.654 3.624 20 30 JHEDMO CC[N@@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccsc2)N(C)C)C[C@H]1C ZINC001313942406 1071620287 /nfs/dbraw/zinc/62/02/87/1071620287.db2.gz IWKPILKLZGIRIY-AUSIDOKSSA-N 1 1 479.654 3.624 20 30 JHEDMO CC[N@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccsc2)N(C)C)C[C@H]1C ZINC001313942406 1071620290 /nfs/dbraw/zinc/62/02/90/1071620290.db2.gz IWKPILKLZGIRIY-AUSIDOKSSA-N 1 1 479.654 3.624 20 30 JHEDMO CCc1ccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCC[N@@H+](C)C(C)C)cc1 ZINC001305945878 1068260372 /nfs/dbraw/zinc/26/03/72/1068260372.db2.gz WTERFHFWOQVFCT-UHFFFAOYSA-N 1 1 472.641 3.831 20 30 JHEDMO CCc1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001306179709 1068570194 /nfs/dbraw/zinc/57/01/94/1068570194.db2.gz BBBVFZGMRNWPLF-FQEVSTJZSA-N 1 1 481.645 3.680 20 30 JHEDMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001306320225 1068748016 /nfs/dbraw/zinc/74/80/16/1068748016.db2.gz RRGFUERYOLSQSX-HSZRJFAPSA-N 1 1 477.657 3.776 20 30 JHEDMO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1 ZINC001164693532 719813900 /nfs/dbraw/zinc/81/39/00/719813900.db2.gz WCNAYYIMTBWPFO-LJQANCHMSA-N 1 1 476.606 3.810 20 30 JHEDMO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164836407 720713559 /nfs/dbraw/zinc/71/35/59/720713559.db2.gz ABYMWQGDZZYLIC-FCHUYYIVSA-N 1 1 485.588 3.670 20 30 JHEDMO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1 ZINC001164748835 720858296 /nfs/dbraw/zinc/85/82/96/720858296.db2.gz MLKRISOFPJBEMV-PWRODBHTSA-N 1 1 490.999 3.765 20 30 JHEDMO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc1F ZINC001164862756 721095243 /nfs/dbraw/zinc/09/52/43/721095243.db2.gz ABXNAPCPHAOKNO-RTBURBONSA-N 1 1 464.932 3.682 20 30 JHEDMO N#CCc1ccc(OCc2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2)cc1 ZINC001164881142 721152975 /nfs/dbraw/zinc/15/29/75/721152975.db2.gz ZGZWTMWHLFANCR-AHWVRZQESA-N 1 1 455.562 3.601 20 30 JHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3c(C#N)cnc4cnc(Cl)cc43)C2)C1 ZINC001164776609 721338437 /nfs/dbraw/zinc/33/84/37/721338437.db2.gz GUMJWDUZUWYUCF-DEOSSOPVSA-N 1 1 466.973 3.879 20 30 JHEDMO Cc1ccc2nc(N3CC[C@@]4(C3)CCC[C@H](CN3CC[NH+](C)CC3)O4)c(C#N)c(Cl)c2c1 ZINC001164889121 721454026 /nfs/dbraw/zinc/45/40/26/721454026.db2.gz NQVVGHQGGVOAOG-KBMIEXCESA-N 1 1 454.018 3.834 20 30 JHEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)c(C#N)c1)CC2 ZINC001164783691 721460533 /nfs/dbraw/zinc/46/05/33/721460533.db2.gz FIKKGXLJBWNDFG-FQEVSTJZSA-N 1 1 468.976 3.885 20 30 JHEDMO C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(COc3ccc(CC#N)cc3)cn2)[C@H]2CCCO[C@H]12 ZINC001164801084 721580363 /nfs/dbraw/zinc/58/03/63/721580363.db2.gz DPNMBUKOKXVAGC-REUBFRLUSA-N 1 1 469.589 3.990 20 30 JHEDMO N#CC1(c2ccc(N3CCC(F)(F)[C@]4(CC[N@@H+](Cc5ccccn5)C4)C3)nc2)CCOCC1 ZINC001164906663 721721730 /nfs/dbraw/zinc/72/17/30/721721730.db2.gz NQGCMPHMLHHHQH-DEOSSOPVSA-N 1 1 453.537 3.786 20 30 JHEDMO C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C)C2 ZINC001164910450 721763950 /nfs/dbraw/zinc/76/39/50/721763950.db2.gz GBJNAORUSYVSJA-JOCHJYFZSA-N 1 1 474.565 3.608 20 30 JHEDMO C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C)C2 ZINC001164910450 721763952 /nfs/dbraw/zinc/76/39/52/721763952.db2.gz GBJNAORUSYVSJA-JOCHJYFZSA-N 1 1 474.565 3.608 20 30 JHEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccnc3[C@H](C#N)C(=O)OC(C)(C)C)C[C@@H]21 ZINC001165028284 721827952 /nfs/dbraw/zinc/82/79/52/721827952.db2.gz VCIFLIJBZDITIL-RYFAJOAYSA-N 1 1 462.598 3.557 20 30 JHEDMO C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nccnc3[C@H](C#N)C(=O)OC(C)(C)C)C[C@H]21 ZINC001165028278 721828277 /nfs/dbraw/zinc/82/82/77/721828277.db2.gz VCIFLIJBZDITIL-FVTFTPSCSA-N 1 1 462.598 3.557 20 30 JHEDMO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938704 721931211 /nfs/dbraw/zinc/93/12/11/721931211.db2.gz FAWUTMZJHATOOK-QFIPXVFZSA-N 1 1 485.588 3.590 20 30 JHEDMO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@@H]4C[N@@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164984285 722102562 /nfs/dbraw/zinc/10/25/62/722102562.db2.gz SBROEIYUKBPFNQ-USZFVNFHSA-N 1 1 454.578 3.563 20 30 JHEDMO CCCC[N@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCc2[nH]c(=O)c(C#N)cc2C1 ZINC001306681682 1069411063 /nfs/dbraw/zinc/41/10/63/1069411063.db2.gz QSLFWQBJEWUIIP-UHFFFAOYSA-N 1 1 497.550 3.813 20 30 JHEDMO CCCC[N@@H+](C)CCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCc2[nH]c(=O)c(C#N)cc2C1 ZINC001306681682 1069411069 /nfs/dbraw/zinc/41/10/69/1069411069.db2.gz QSLFWQBJEWUIIP-UHFFFAOYSA-N 1 1 497.550 3.813 20 30 JHEDMO CCCC[N@@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001306682771 1069414775 /nfs/dbraw/zinc/41/47/75/1069414775.db2.gz NNKXYJJKVGSUNV-HXUWFJFHSA-N 1 1 481.645 3.994 20 30 JHEDMO CCCC[N@@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001306682976 1069415383 /nfs/dbraw/zinc/41/53/83/1069415383.db2.gz RVFURBNWQAEUIN-UHFFFAOYSA-N 1 1 461.614 3.772 20 30 JHEDMO CCCCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](C)[NH+]2CCOCC2)cc1OC ZINC001306747839 1069536163 /nfs/dbraw/zinc/53/61/63/1069536163.db2.gz WERIHNIKQIMDAK-KDYSTLNUSA-N 1 1 496.656 3.983 20 30 JHEDMO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC001311852830 1069580405 /nfs/dbraw/zinc/58/04/05/1069580405.db2.gz XIOJFUAZGLCLSK-FQEVSTJZSA-N 1 1 450.583 3.950 20 30 JHEDMO CCC[N@@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cc(C)cn2)CC1 ZINC001306807257 1069621735 /nfs/dbraw/zinc/62/17/35/1069621735.db2.gz QNNNOGWDGHFSAJ-UHFFFAOYSA-N 1 1 460.630 3.970 20 30 JHEDMO CCCN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001307013108 1069717488 /nfs/dbraw/zinc/71/74/88/1069717488.db2.gz XZTBFBISKGWMRP-UHFFFAOYSA-N 1 1 491.665 3.501 20 30 JHEDMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001307037697 1069758885 /nfs/dbraw/zinc/75/88/85/1069758885.db2.gz FROAGTXENFCXTJ-IFMALSPDSA-N 1 1 493.656 3.994 20 30 JHEDMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(C#N)C2)C1 ZINC001307037938 1069759789 /nfs/dbraw/zinc/75/97/89/1069759789.db2.gz XSIUGYLSPQWKDE-NLFFAJNJSA-N 1 1 484.048 3.723 20 30 JHEDMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001307037991 1069759993 /nfs/dbraw/zinc/75/99/93/1069759993.db2.gz HLIMBXHEFHVWJV-FCHUYYIVSA-N 1 1 493.656 3.900 20 30 JHEDMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001307039803 1069765038 /nfs/dbraw/zinc/76/50/38/1069765038.db2.gz SUJWWRNCLYMVBH-IFMALSPDSA-N 1 1 479.629 3.652 20 30 JHEDMO CCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001307057073 1069832202 /nfs/dbraw/zinc/83/22/02/1069832202.db2.gz VJTLHGJYPBGTQK-DNQXCXABSA-N 1 1 466.630 3.711 20 30 JHEDMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001307057511 1069835153 /nfs/dbraw/zinc/83/51/53/1069835153.db2.gz WAJQSYXMSDMBAZ-QHCPKHFHSA-N 1 1 463.630 3.563 20 30 JHEDMO CCC[N@H+]1CCCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CC[C@](F)(C#N)C1 ZINC001307067595 1069878290 /nfs/dbraw/zinc/87/82/90/1069878290.db2.gz LYVGFMRKOBQAID-CPJSRVTESA-N 1 1 470.593 3.962 20 30 JHEDMO CCC[N@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N1CC[C@](F)(C#N)C1 ZINC001307067597 1069878443 /nfs/dbraw/zinc/87/84/43/1069878443.db2.gz LYVGFMRKOBQAID-NLFFAJNJSA-N 1 1 470.593 3.962 20 30 JHEDMO CCN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC001312484853 1069964638 /nfs/dbraw/zinc/96/46/38/1069964638.db2.gz CRYMZPYQESLEQT-KSNOWIBYSA-N 1 1 459.594 3.921 20 30 JHEDMO N#Cc1ccc(OC2CCN(C(=O)NC[C@@H]3CSCC[N@@H+]3Cc3ccccc3)CC2)cc1 ZINC001312490762 1069969486 /nfs/dbraw/zinc/96/94/86/1069969486.db2.gz XXRLWXCCHHFJIR-JOCHJYFZSA-N 1 1 450.608 3.729 20 30 JHEDMO N#Cc1ccc(OC2CCN(C(=O)NC[C@@H]3CSCC[N@H+]3Cc3ccccc3)CC2)cc1 ZINC001312490762 1069969497 /nfs/dbraw/zinc/96/94/97/1069969497.db2.gz XXRLWXCCHHFJIR-JOCHJYFZSA-N 1 1 450.608 3.729 20 30 JHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC001307411901 1069970986 /nfs/dbraw/zinc/97/09/86/1069970986.db2.gz AFYUEEWPKXDUPU-PMACEKPBSA-N 1 1 450.587 3.528 20 30 JHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC001307411901 1069970992 /nfs/dbraw/zinc/97/09/92/1069970992.db2.gz AFYUEEWPKXDUPU-PMACEKPBSA-N 1 1 450.587 3.528 20 30 JHEDMO CCOC(=O)c1cnn2c1[nH]c(C[N@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1)cc2=O ZINC001307536194 1070040802 /nfs/dbraw/zinc/04/08/02/1070040802.db2.gz WJEPRKKVZFPOMQ-UHFFFAOYSA-N 1 1 459.481 3.825 20 30 JHEDMO CCOC(=O)c1cnn2c1[nH]c(C[N@@H+](Cc1ccc(C#N)cc1)Cc1cccc(F)c1)cc2=O ZINC001307536194 1070040811 /nfs/dbraw/zinc/04/08/11/1070040811.db2.gz WJEPRKKVZFPOMQ-UHFFFAOYSA-N 1 1 459.481 3.825 20 30 JHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC001307555294 1070050014 /nfs/dbraw/zinc/05/00/14/1070050014.db2.gz PYXOPFFBFDUHSU-IBGZPJMESA-N 1 1 458.566 3.995 20 30 JHEDMO CCOC(=O)C[C@@H](c1ccccc1)C1CC[NH+](CCS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC001307558449 1070052368 /nfs/dbraw/zinc/05/23/68/1070052368.db2.gz DCPWHFLPDFTOQO-DEOSSOPVSA-N 1 1 454.592 3.781 20 30 JHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1C ZINC001307571407 1070057233 /nfs/dbraw/zinc/05/72/33/1070057233.db2.gz HYFVPYXVRMXMGT-LJQANCHMSA-N 1 1 453.974 3.949 20 30 JHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Cl)cn3)C2)c1C ZINC001307571407 1070057244 /nfs/dbraw/zinc/05/72/44/1070057244.db2.gz HYFVPYXVRMXMGT-LJQANCHMSA-N 1 1 453.974 3.949 20 30 JHEDMO 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C#CCN1CCC[C@H]([NH2+]Cc2nc(N(C)C)n(-c3ccc(Br)cc3)c2Cl)C1 ZINC001308937663 1070462258 /nfs/dbraw/zinc/46/22/58/1070462258.db2.gz VAIADWOZPPHXIK-INIZCTEOSA-N 1 1 450.812 3.541 20 30 JHEDMO CCCOc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1OC ZINC001313505079 1070540818 /nfs/dbraw/zinc/54/08/18/1070540818.db2.gz XHUHCZTWPVLSLH-FQEVSTJZSA-N 1 1 482.629 3.593 20 30 JHEDMO CCCOc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC[N@H+]2CCOC[C@@H]2C)cc1OC ZINC001313505079 1070540834 /nfs/dbraw/zinc/54/08/34/1070540834.db2.gz XHUHCZTWPVLSLH-FQEVSTJZSA-N 1 1 482.629 3.593 20 30 JHEDMO CCS[C@@H]1CC[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001314598406 1070644081 /nfs/dbraw/zinc/64/40/81/1070644081.db2.gz KJHGKGQFBRORII-FYYLOGMGSA-N 1 1 498.697 3.950 20 30 JHEDMO C[NH+](C)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1Cl ZINC001314652651 1070764266 /nfs/dbraw/zinc/76/42/66/1070764266.db2.gz AHFOAOFBICBTCX-FXAWDEMLSA-N 1 1 457.003 3.615 20 30 JHEDMO 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C[N@@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)C1CCCC1 ZINC001314862945 1071258097 /nfs/dbraw/zinc/25/80/97/1071258097.db2.gz YUSBADIPKZXAQE-UHFFFAOYSA-N 1 1 479.629 3.748 20 30 JHEDMO CC[N@@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@@H](C)C1)CCC(F)(F)F ZINC001313820979 1071280419 /nfs/dbraw/zinc/28/04/19/1071280419.db2.gz ZLXZCRXPBXKGCJ-SFHVURJKSA-N 1 1 480.535 3.618 20 30 JHEDMO CC[N@@H+](CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@](F)(C#N)C1)CCC(F)(F)F ZINC001313822597 1071285940 /nfs/dbraw/zinc/28/59/40/1071285940.db2.gz SJWZRRAVPLTXQG-OAQYLSRUSA-N 1 1 468.499 3.882 20 30 JHEDMO C[N@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001314928613 1071371407 /nfs/dbraw/zinc/37/14/07/1071371407.db2.gz NKJRLEYDGOQOFI-RTBURBONSA-N 1 1 462.520 3.705 20 30 JHEDMO CC[N@H+]1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)C[C@@H]1C ZINC001313864124 1071385334 /nfs/dbraw/zinc/38/53/34/1071385334.db2.gz XGBDFRXACBWORB-PMACEKPBSA-N 1 1 463.630 3.527 20 30 JHEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313869027 1071407416 /nfs/dbraw/zinc/40/74/16/1071407416.db2.gz PLUUHPGBNHISLH-ZWKOTPCHSA-N 1 1 463.552 3.620 20 30 JHEDMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001313886039 1071468247 /nfs/dbraw/zinc/46/82/47/1071468247.db2.gz LBNQBWUWGQHLLY-HOYKHHGWSA-N 1 1 456.566 3.525 20 30 JHEDMO CCN1CC[NH+]([C@@H](C)Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001313922502 1071564383 /nfs/dbraw/zinc/56/43/83/1071564383.db2.gz WTRXMHHYLHNROM-GMAHTHKFSA-N 1 1 488.684 3.975 20 30 JHEDMO COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC001315076831 1071587960 /nfs/dbraw/zinc/58/79/60/1071587960.db2.gz GUDDKPZGWNGCJR-NZQKXSOJSA-N 1 1 464.614 3.718 20 30 JHEDMO CC[NH+]1CCN(CCCCn2c(Cc3ccccc3C)nnc2N2CCC[C@@](C)(C#N)C2)CC1 ZINC001313954400 1071651241 /nfs/dbraw/zinc/65/12/41/1071651241.db2.gz PXZLEDUKGXOJAN-MHZLTWQESA-N 1 1 463.674 3.725 20 30 JHEDMO CC[NH+]1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313955003 1071653724 /nfs/dbraw/zinc/65/37/24/1071653724.db2.gz ROFITMMTXMFHNI-NDEPHWFRSA-N 1 1 493.700 3.876 20 30 JHEDMO CC[NH+]1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001313957202 1071659496 /nfs/dbraw/zinc/65/94/96/1071659496.db2.gz DZJGQVXHFDOYGY-UHFFFAOYSA-N 1 1 475.563 3.623 20 30 JHEDMO CC[NH+]1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(Cc2ccco2)C(C)C)CC1 ZINC001313958062 1071663117 /nfs/dbraw/zinc/66/31/17/1071663117.db2.gz OIETWZKJUIUIHN-UHFFFAOYSA-N 1 1 461.614 3.852 20 30 JHEDMO CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC001305938737 1068245132 /nfs/dbraw/zinc/24/51/32/1068245132.db2.gz BPMDABFJJCEAJH-AJTFRIOCSA-N 1 1 463.674 3.911 20 30 JHEDMO CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305990681 1068351046 /nfs/dbraw/zinc/35/10/46/1068351046.db2.gz ZABJHOMDSFDEQI-RBBKRZOGSA-N 1 1 466.630 3.659 20 30 JHEDMO CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC001305990670 1068351090 /nfs/dbraw/zinc/35/10/90/1068351090.db2.gz ZABJHOMDSFDEQI-IFMALSPDSA-N 1 1 466.630 3.659 20 30 JHEDMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCCOC)C1 ZINC001306320862 1068750257 /nfs/dbraw/zinc/75/02/57/1068750257.db2.gz YAQZZEYGNDLPOI-ZEQRLZLVSA-N 1 1 466.630 3.713 20 30 JHEDMO CC[C@@H]1CCCC[N@H+]1CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001306325815 1068763076 /nfs/dbraw/zinc/76/30/76/1068763076.db2.gz VMCQMIJPTGHCIC-BWKNWUBXSA-N 1 1 458.651 3.713 20 30 JHEDMO N#Cc1c(F)cccc1-n1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)n1 ZINC001310545161 1069008060 /nfs/dbraw/zinc/00/80/60/1069008060.db2.gz FNQNZCKMFGQRAE-UHFFFAOYSA-N 1 1 454.456 3.947 20 30 JHEDMO COc1cc(NC(=O)NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c(F)cc1C#N ZINC001311032807 1069252284 /nfs/dbraw/zinc/25/22/84/1069252284.db2.gz DYHNWPUTSSOAKT-UHFFFAOYSA-N 1 1 456.518 3.517 20 30 JHEDMO COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1)C2 ZINC001164807890 720122156 /nfs/dbraw/zinc/12/21/56/720122156.db2.gz CTUKEYVYPASZNG-MHECFPHRSA-N 1 1 455.965 3.992 20 30 JHEDMO COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C3(C#N)CCOCC3)cn1)CC2 ZINC001164714744 720136524 /nfs/dbraw/zinc/13/65/24/720136524.db2.gz YMGPAURZBFAHIU-DEOSSOPVSA-N 1 1 461.610 3.556 20 30 JHEDMO COc1cc(C(F)(F)N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(C#N)c(Cl)n1 ZINC001164833698 720563254 /nfs/dbraw/zinc/56/32/54/720563254.db2.gz BELSVKUXUPEVFE-JTDSTZFVSA-N 1 1 464.948 3.734 20 30 JHEDMO Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(C#C[Si](C)(C)C)ccc4NC(=O)C(C)(C)C)C[C@@H]3C2)cn1 ZINC001164762574 721173420 /nfs/dbraw/zinc/17/34/20/721173420.db2.gz CVEGCLSWCNPXJE-YADHBBJMSA-N 1 1 492.744 3.987 20 30 JHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3c(C#N)cnc4cnc(Cl)cc43)C2)C1 ZINC001164776610 721338408 /nfs/dbraw/zinc/33/84/08/721338408.db2.gz GUMJWDUZUWYUCF-XMMPIXPASA-N 1 1 466.973 3.879 20 30 JHEDMO C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)c4C#N)C3)O2)CC1 ZINC001164885603 721384369 /nfs/dbraw/zinc/38/43/69/721384369.db2.gz CVFMLMPMAOLBJX-FOIQADDNSA-N 1 1 474.383 3.570 20 30 JHEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)ncc1C#N)CC2 ZINC001164788611 721461056 /nfs/dbraw/zinc/46/10/56/721461056.db2.gz URUFVXAUSXLYDI-IBGZPJMESA-N 1 1 468.976 3.885 20 30 JHEDMO CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cc(-c3cccc(C#N)c3)nnc2Cl)CC1 ZINC001165013267 721750696 /nfs/dbraw/zinc/75/06/96/721750696.db2.gz WETGRKJREXAGJY-UHFFFAOYSA-N 1 1 488.970 3.737 20 30 JHEDMO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1 ZINC001164910521 721760753 /nfs/dbraw/zinc/76/07/53/721760753.db2.gz HIXAVFNIMAEQLZ-QFIPXVFZSA-N 1 1 482.544 3.593 20 30 JHEDMO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1 ZINC001164910521 721760754 /nfs/dbraw/zinc/76/07/54/721760754.db2.gz HIXAVFNIMAEQLZ-QFIPXVFZSA-N 1 1 482.544 3.593 20 30 JHEDMO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028272 721824281 /nfs/dbraw/zinc/82/42/81/721824281.db2.gz VBFYNKGIXUBCHV-RPLOAYLJSA-N 1 1 470.577 3.542 20 30 JHEDMO Cc1nc(C#Cc2ccnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4CCN(C)C)c2)c(C)n1-c1ccc(F)cc1 ZINC001164928087 721863627 /nfs/dbraw/zinc/86/36/27/721863627.db2.gz XTZAUAXBZXLCJX-SXOMAYOGSA-N 1 1 472.612 3.638 20 30 JHEDMO Cc1nc(C#Cc2ccnc(N3CC[C@@H]4[C@@H]3CC[N@@H+]4CCN(C)C)c2)c(C)n1-c1ccc(F)cc1 ZINC001164928087 721863629 /nfs/dbraw/zinc/86/36/29/721863629.db2.gz XTZAUAXBZXLCJX-SXOMAYOGSA-N 1 1 472.612 3.638 20 30 JHEDMO Cc1ccc([C@@H](C#N)c2ccc(N3CCC4(CC3)COCC[N@@H+](Cc3ccncc3)C4)nn2)cc1 ZINC001164960534 722053186 /nfs/dbraw/zinc/05/31/86/722053186.db2.gz RPAWNKRDZGFAJK-RUZDIDTESA-N 1 1 468.605 3.955 20 30 JHEDMO C[NH+]1CCN(c2ncnc3c2CCN(c2ncc(C#N)c4sc(-c5ccccc5)cc42)CC3)CC1 ZINC001164996332 722234637 /nfs/dbraw/zinc/23/46/37/722234637.db2.gz CBGFUOLWHHEAEA-UHFFFAOYSA-N 1 1 481.629 3.982 20 30 JHEDMO CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCC[C@@H]2C)CC1 ZINC001306662555 1069383958 /nfs/dbraw/zinc/38/39/58/1069383958.db2.gz UMLGKWKYHLPYSQ-NRFANRHFSA-N 1 1 477.657 3.776 20 30 JHEDMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 ZINC001306680478 1069407670 /nfs/dbraw/zinc/40/76/70/1069407670.db2.gz OUDXJCPYAGYVME-SANMLTNESA-N 1 1 466.630 3.571 20 30 JHEDMO CCCC[N@@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 ZINC001306680476 1069407790 /nfs/dbraw/zinc/40/77/90/1069407790.db2.gz OUDXJCPYAGYVME-AREMUKBSSA-N 1 1 466.630 3.571 20 30 JHEDMO CCCC[N@@H+](C)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001306682972 1069415216 /nfs/dbraw/zinc/41/52/16/1069415216.db2.gz RTKKZDOCYNSNEV-UHFFFAOYSA-N 1 1 472.641 3.833 20 30 JHEDMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C#N ZINC001306723638 1069464083 /nfs/dbraw/zinc/46/40/83/1069464083.db2.gz TWRMWJUMBDXDIA-FPOVZHCZSA-N 1 1 452.603 3.967 20 30 JHEDMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001306724128 1069464838 /nfs/dbraw/zinc/46/48/38/1069464838.db2.gz WJXHHADTISJCOD-NOZRDPDXSA-N 1 1 477.657 3.776 20 30 JHEDMO CCOc1ccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2CC[N@@H+]2CCOC(C)(C)C2)cc1 ZINC001314192077 1069755277 /nfs/dbraw/zinc/75/52/77/1069755277.db2.gz DVYICJHMVCBODX-HXUWFJFHSA-N 1 1 482.629 3.668 20 30 JHEDMO CCOc1ccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2CC[N@H+]2CCOC(C)(C)C2)cc1 ZINC001314192077 1069755295 /nfs/dbraw/zinc/75/52/95/1069755295.db2.gz DVYICJHMVCBODX-HXUWFJFHSA-N 1 1 482.629 3.668 20 30 JHEDMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001307037701 1069759124 /nfs/dbraw/zinc/75/91/24/1069759124.db2.gz FROAGTXENFCXTJ-RBBKRZOGSA-N 1 1 493.656 3.994 20 30 JHEDMO CCOc1ccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2CC[N@@H+]2CC=CCC2)cc1 ZINC001314196551 1069775618 /nfs/dbraw/zinc/77/56/18/1069775618.db2.gz ZVTCCVBAJDJWSA-HXUWFJFHSA-N 1 1 450.587 3.819 20 30 JHEDMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 ZINC001307057252 1069833574 /nfs/dbraw/zinc/83/35/74/1069833574.db2.gz XFDBLKCBNWSZAA-ZCNNSNEGSA-N 1 1 456.566 3.550 20 30 JHEDMO CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCC[N@H+]2CCC)CC1=O ZINC001307062701 1069860167 /nfs/dbraw/zinc/86/01/67/1069860167.db2.gz UTMDOJPZIQHFCF-HSZRJFAPSA-N 1 1 463.630 3.530 20 30 JHEDMO CCOC1CC(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)C1 ZINC001314237704 1069936089 /nfs/dbraw/zinc/93/60/89/1069936089.db2.gz FVZBGPGIHHWWRW-ZZOCVYOHSA-N 1 1 466.630 3.853 20 30 JHEDMO CCN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001312484854 1069964288 /nfs/dbraw/zinc/96/42/88/1069964288.db2.gz CRYMZPYQESLEQT-NIJXNBFTSA-N 1 1 459.594 3.921 20 30 JHEDMO N#Cc1cc2c(n(CC(=O)Nc3cc(Cl)ccc3F)c1=O)CC[N@@H+](Cc1ccccc1)C2 ZINC001307373967 1069964692 /nfs/dbraw/zinc/96/46/92/1069964692.db2.gz OLUANVPGJTUZAR-UHFFFAOYSA-N 1 1 450.901 3.709 20 30 JHEDMO CC[N@@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001307530493 1070037345 /nfs/dbraw/zinc/03/73/45/1070037345.db2.gz XOOZFVOGPQZCOZ-HSZRJFAPSA-N 1 1 451.615 3.705 20 30 JHEDMO CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001314277600 1070037935 /nfs/dbraw/zinc/03/79/35/1070037935.db2.gz ZHTIJJRRVXZCBJ-DHIUTWEWSA-N 1 1 466.630 3.854 20 30 JHEDMO CC(C)[N@@H+](CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H](C)c1ccsc1 ZINC001307855208 1070212923 /nfs/dbraw/zinc/21/29/23/1070212923.db2.gz PNLRZUSFWYCCSU-KRWDZBQOSA-N 1 1 453.568 3.988 20 30 JHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@@H+]1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001307961634 1070260301 /nfs/dbraw/zinc/26/03/01/1070260301.db2.gz HHIBPGCNIOMQDM-OSWQYVSFSA-N 1 1 456.587 3.710 20 30 JHEDMO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[N@H+]1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 ZINC001307961634 1070260313 /nfs/dbraw/zinc/26/03/13/1070260313.db2.gz HHIBPGCNIOMQDM-OSWQYVSFSA-N 1 1 456.587 3.710 20 30 JHEDMO CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCC[N@H+]1CCC[C@H](C)C1 ZINC001314402421 1070264049 /nfs/dbraw/zinc/26/40/49/1070264049.db2.gz FASJZKAMYMZSAM-XUZZJYLKSA-N 1 1 466.630 3.776 20 30 JHEDMO CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)[N@H+]2CCC[C@H](C)C2)C1 ZINC001314441144 1070329934 /nfs/dbraw/zinc/32/99/34/1070329934.db2.gz FBSLXSMUFHCXNO-QZNHQXDQSA-N 1 1 466.630 3.712 20 30 JHEDMO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C#N)o2)C[C@@H]1CC ZINC001314498853 1070425715 /nfs/dbraw/zinc/42/57/15/1070425715.db2.gz SPGZDQOSZPSUCA-WWPVKYPJSA-N 1 1 484.645 3.647 20 30 JHEDMO CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001313478305 1070488667 /nfs/dbraw/zinc/48/86/67/1070488667.db2.gz RTGLASMCBGSDSO-GMAHTHKFSA-N 1 1 477.657 3.824 20 30 JHEDMO CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001313520606 1070586309 /nfs/dbraw/zinc/58/63/09/1070586309.db2.gz DLHMRBPCRZBKAH-DQEYMECFSA-N 1 1 480.657 3.959 20 30 JHEDMO C[NH+](C)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1Cl ZINC001314652665 1070764105 /nfs/dbraw/zinc/76/41/05/1070764105.db2.gz AHFOAOFBICBTCX-YLJYHZDGSA-N 1 1 457.003 3.615 20 30 JHEDMO CCN(CC)C(=O)C[N@@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccsc2)CC1 ZINC001313646881 1070809930 /nfs/dbraw/zinc/80/99/30/1070809930.db2.gz HNKRHXRSZBMFJD-UHFFFAOYSA-N 1 1 491.665 3.501 20 30 JHEDMO CCN(CC)C(=O)C[N@H+]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccsc2)CC1 ZINC001313646881 1070809956 /nfs/dbraw/zinc/80/99/56/1070809956.db2.gz HNKRHXRSZBMFJD-UHFFFAOYSA-N 1 1 491.665 3.501 20 30 JHEDMO C[N@@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1)Cc1ccc(F)cc1 ZINC001314865184 1071265742 /nfs/dbraw/zinc/26/57/42/1071265742.db2.gz YFIDYWRVZMGANL-UHFFFAOYSA-N 1 1 490.631 3.731 20 30 JHEDMO CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001314934498 1071381516 /nfs/dbraw/zinc/38/15/16/1071381516.db2.gz PHMPMPPTQDVEEO-IRLDBZIGSA-N 1 1 477.657 3.680 20 30 JHEDMO CC[N@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)CCC(C)C)C[C@@H]1C ZINC001313874194 1071427903 /nfs/dbraw/zinc/42/79/03/1071427903.db2.gz GUGKZKKMZCTQPV-WOVHNISZSA-N 1 1 468.646 3.835 20 30 JHEDMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCC#N)CC1CC1 ZINC001313903947 1071516688 /nfs/dbraw/zinc/51/66/88/1071516688.db2.gz GBRWGEBLGVYWHR-SFTDATJTSA-N 1 1 471.650 3.964 20 30 JHEDMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001313907984 1071528758 /nfs/dbraw/zinc/52/87/58/1071528758.db2.gz KYXGLDYYYKLZDF-DHIUTWEWSA-N 1 1 477.657 3.822 20 30 JHEDMO CC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001313908343 1071529535 /nfs/dbraw/zinc/52/95/35/1071529535.db2.gz MLHXEBIYRYZLHM-DEOSSOPVSA-N 1 1 493.656 3.996 20 30 JHEDMO CCN1CC[NH+]([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(CC)(CC)SC)C2)CC1 ZINC001313945845 1071627284 /nfs/dbraw/zinc/62/72/84/1071627284.db2.gz VOBKVYQKZIUVKT-HSZRJFAPSA-N 1 1 481.714 3.955 20 30 JHEDMO CC[NH+]1CCN(CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313955001 1071653691 /nfs/dbraw/zinc/65/36/91/1071653691.db2.gz ROFITMMTXMFHNI-MUUNZHRXSA-N 1 1 493.700 3.876 20 30 JHEDMO CC[NH+]1CCN(CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001313957001 1071658674 /nfs/dbraw/zinc/65/86/74/1071658674.db2.gz ASTMSOFTTJTODY-SANMLTNESA-N 1 1 467.637 3.712 20 30 JHEDMO CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc2c1=O ZINC001313958446 1071664111 /nfs/dbraw/zinc/66/41/11/1071664111.db2.gz CEAMQLNBCUQFIZ-HBMCJLEFSA-N 1 1 490.656 3.781 20 30 JHEDMO CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]([NH+]2CCOCC2)[C@@H](CC)C1)C(C)C ZINC001314063134 1071903870 /nfs/dbraw/zinc/90/38/70/1071903870.db2.gz OWQNAQBFGLCAKC-ZKMPZPQNSA-N 1 1 480.657 3.815 20 30 JHEDMO CCc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H](C)CN2CC[NH+](CC)CC2)cc1 ZINC001305938738 1068245243 /nfs/dbraw/zinc/24/52/43/1068245243.db2.gz BPMDABFJJCEAJH-AMGIVPHBSA-N 1 1 463.674 3.911 20 30 JHEDMO CCc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC001305941935 1068252395 /nfs/dbraw/zinc/25/23/95/1068252395.db2.gz UJBNDLWEZCWFFH-BVAGGSTKSA-N 1 1 450.631 3.874 20 30 JHEDMO CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC001305990682 1068350857 /nfs/dbraw/zinc/35/08/57/1068350857.db2.gz ZABJHOMDSFDEQI-UNMCSNQZSA-N 1 1 466.630 3.659 20 30 JHEDMO CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306195235 1068586698 /nfs/dbraw/zinc/58/66/98/1068586698.db2.gz YWQVRUQTDIZWRP-BGYRXZFFSA-N 1 1 467.637 3.934 20 30 JHEDMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001306320281 1068748777 /nfs/dbraw/zinc/74/87/77/1068748777.db2.gz SQIGZYKTYBZLCT-RPWUZVMVSA-N 1 1 466.630 3.711 20 30 JHEDMO CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cc[nH+]c2C)CCS1 ZINC001306449458 1068967455 /nfs/dbraw/zinc/96/74/55/1068967455.db2.gz HPRXEMDJEBBYCA-NRFANRHFSA-N 1 1 451.600 3.656 20 30 JHEDMO 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JHEDMO CCC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001307056146 1069824836 /nfs/dbraw/zinc/82/48/36/1069824836.db2.gz CERMSLUOIBASSK-NHCUHLMSSA-N 1 1 479.677 3.508 20 30 JHEDMO CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 ZINC001312289722 1069841040 /nfs/dbraw/zinc/84/10/40/1069841040.db2.gz HNMLNPAEHUOBTN-FCHUYYIVSA-N 1 1 457.619 3.867 20 30 JHEDMO CCOC1CC(Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(C#N)cc2)([NH+]2CCOCC2)C1 ZINC001314240684 1069942622 /nfs/dbraw/zinc/94/26/22/1069942622.db2.gz SWZMYLPWRWRYBX-UHFFFAOYSA-N 1 1 480.657 3.645 20 30 JHEDMO CCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC001312470332 1069957111 /nfs/dbraw/zinc/95/71/11/1069957111.db2.gz ONAMCWIBACAXPD-FVTFTPSCSA-N 1 1 455.603 3.612 20 30 JHEDMO CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC001312518235 1069985671 /nfs/dbraw/zinc/98/56/71/1069985671.db2.gz MSFCYNLIBOIMLN-QFIPXVFZSA-N 1 1 455.603 3.565 20 30 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JHEDMO CC[N@H+]1CC[C@@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CC[C@](F)(C#N)C2)C1 ZINC001313886040 1071468371 /nfs/dbraw/zinc/46/83/71/1071468371.db2.gz LBNQBWUWGQHLLY-KOSHJBKYSA-N 1 1 456.566 3.525 20 30 JHEDMO CC[N@H+]1CCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001313892288 1071486969 /nfs/dbraw/zinc/48/69/69/1071486969.db2.gz DIAJLBSXBMGMEN-DFBJGRDBSA-N 1 1 468.602 3.585 20 30 JHEDMO CC[N@H+]1CCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC001313899876 1071508909 /nfs/dbraw/zinc/50/89/09/1071508909.db2.gz KWLAAPXMQPVITJ-GOTSBHOMSA-N 1 1 452.603 3.529 20 30 JHEDMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](C#N)C1 ZINC001313908359 1071529301 /nfs/dbraw/zinc/52/93/01/1071529301.db2.gz MZGKJIUOJFFRJZ-MOPGFXCFSA-N 1 1 473.419 3.619 20 30 JHEDMO CC[N@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313935429 1071606105 /nfs/dbraw/zinc/60/61/05/1071606105.db2.gz ZYIMTKCZSXGMEI-GOSISDBHSA-N 1 1 467.618 3.650 20 30 JHEDMO 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CCCC[N@@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001306682922 1069415315 /nfs/dbraw/zinc/41/53/15/1069415315.db2.gz QMLFKOKWFXSAOM-LVXARBLLSA-N 1 1 479.629 3.652 20 30 JHEDMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001306722296 1069459681 /nfs/dbraw/zinc/45/96/81/1069459681.db2.gz GLJCJWLSDXAUJW-ZEQRLZLVSA-N 1 1 463.630 3.576 20 30 JHEDMO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC[N@@H+](CCC)C2)C1 ZINC001306737285 1069506241 /nfs/dbraw/zinc/50/62/41/1069506241.db2.gz OAIARHJSABFZTL-UPVQGACJSA-N 1 1 477.657 3.681 20 30 JHEDMO CCC[NH+](CCC)CCCn1c(-c2ccc(C)o2)nnc1N1CCc2[nH]c(=O)c(C#N)cc2C1 ZINC001307005155 1069700101 /nfs/dbraw/zinc/70/01/01/1069700101.db2.gz PATBXFWCRZCJLN-UHFFFAOYSA-N 1 1 463.586 3.894 20 30 JHEDMO CCC[N@H+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CC#N)CC2)C1 ZINC001307030700 1069739160 /nfs/dbraw/zinc/73/91/60/1069739160.db2.gz AWHMYGFTPNVIFP-QGZVFWFLSA-N 1 1 460.424 3.898 20 30 JHEDMO 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Cc1sc(Br)cc1S(=O)(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001309635133 1070894508 /nfs/dbraw/zinc/89/45/08/1070894508.db2.gz FXULKOKHJDCLDE-UHFFFAOYSA-N 1 1 454.415 3.634 20 30 JHEDMO CN(CC(C)(C)C[NH+]1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)C1CCCCC1 ZINC001314714043 1070903434 /nfs/dbraw/zinc/90/34/34/1070903434.db2.gz QINFCVQSJXCZFS-NDEPHWFRSA-N 1 1 494.684 3.943 20 30 JHEDMO CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@@H+]1CC=CCC1 ZINC001314727155 1070936855 /nfs/dbraw/zinc/93/68/55/1070936855.db2.gz QOCRJDCNKOZMOK-ZRZAMGCNSA-N 1 1 491.640 3.819 20 30 JHEDMO CC[NH+](CC)CCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCc2[nH]c(=O)c(C#N)cc2C1 ZINC001313717011 1071016630 /nfs/dbraw/zinc/01/66/30/1071016630.db2.gz YGZYQMCTJFTSLV-UHFFFAOYSA-N 1 1 489.624 3.741 20 30 JHEDMO CC[N@@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1nncn1C)CCC(F)(F)F ZINC001313807743 1071230131 /nfs/dbraw/zinc/23/01/31/1071230131.db2.gz XKIVJNQCZOOHSA-IBGZPJMESA-N 1 1 487.534 3.561 20 30 JHEDMO 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CC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCc1cccs1 ZINC001313904640 1071519093 /nfs/dbraw/zinc/51/90/93/1071519093.db2.gz RNNUHSFQQDDCNT-FQEVSTJZSA-N 1 1 450.612 3.953 20 30 JHEDMO CC[N@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 ZINC001313913076 1071541658 /nfs/dbraw/zinc/54/16/58/1071541658.db2.gz KHTFZWCFUZDDNH-RTWAWAEBSA-N 1 1 471.650 3.964 20 30 JHEDMO CC[N@H+]1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001313915891 1071551491 /nfs/dbraw/zinc/55/14/91/1071551491.db2.gz VCLDGBHVYFRVPC-NRFANRHFSA-N 1 1 466.630 3.997 20 30 JHEDMO CCN1CC[NH+]([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCSCC(C)C)C2)CC1 ZINC001313944435 1071624887 /nfs/dbraw/zinc/62/48/87/1071624887.db2.gz CAMBOZSGPWLBGR-DEOSSOPVSA-N 1 1 481.714 3.812 20 30 JHEDMO CC[NH+]1CCN(CCCCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313953456 1071648915 /nfs/dbraw/zinc/64/89/15/1071648915.db2.gz FUHCZYNSLDJLQN-ZRZAMGCNSA-N 1 1 479.673 3.629 20 30 JHEDMO CC[NH+]1CCN(CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001313957000 1071658883 /nfs/dbraw/zinc/65/88/83/1071658883.db2.gz ASTMSOFTTJTODY-AREMUKBSSA-N 1 1 467.637 3.712 20 30 JHEDMO CCN1CC[NH+](CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001313961519 1071672766 /nfs/dbraw/zinc/67/27/66/1071672766.db2.gz UCKLOHGDOKQJCN-LADGPHEKSA-N 1 1 479.673 3.771 20 30 JHEDMO CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](CC)[C@H]([NH+]2CCOCC2)C1)C(C)C ZINC001314067290 1071914691 /nfs/dbraw/zinc/91/46/91/1071914691.db2.gz SOLDSDPKHCRHMW-QLBJFCOMSA-N 1 1 480.657 3.815 20 30 JHEDMO CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[N@H+](CC)[C@H](C)C2)cs1 ZINC001306025623 1068420225 /nfs/dbraw/zinc/42/02/25/1068420225.db2.gz OXVIBYTUSKCCLS-GOSISDBHSA-N 1 1 465.627 3.521 20 30 JHEDMO CC[C@@H]1CCCC[N@H+]1CCn1c(C(=O)NC(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 ZINC001306319763 1068746850 /nfs/dbraw/zinc/74/68/50/1068746850.db2.gz WGCLSJYASPFGTG-JOCHJYFZSA-N 1 1 463.630 3.721 20 30 JHEDMO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001306405249 1068872260 /nfs/dbraw/zinc/87/22/60/1068872260.db2.gz CDUDVYXZRQRTFO-XFGYDDDFSA-N 1 1 466.630 3.708 20 30 JHEDMO CC[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(C#N)o2)CC[N@H+]1CCOC ZINC001306454546 1068976669 /nfs/dbraw/zinc/97/66/69/1068976669.db2.gz MXDVJBKXBCKVDS-OAQYLSRUSA-N 1 1 478.597 3.534 20 30 JHEDMO CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+](C)C2CCCCC2)CC1 ZINC001306510053 1069100606 /nfs/dbraw/zinc/10/06/06/1069100606.db2.gz SFBLPTDAGKPDQW-UHFFFAOYSA-N 1 1 477.657 3.966 20 30 JHEDMO CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)CCC2 ZINC001164818269 720246658 /nfs/dbraw/zinc/24/66/58/720246658.db2.gz YCKUPALJUGCVQA-UHFFFAOYSA-N 1 1 472.927 3.845 20 30 JHEDMO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC2(C[C@H]([N@@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164836409 720713838 /nfs/dbraw/zinc/71/38/38/720713838.db2.gz ABYMWQGDZZYLIC-VXKWHMMOSA-N 1 1 485.588 3.670 20 30 JHEDMO N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164870116 721186103 /nfs/dbraw/zinc/18/61/03/721186103.db2.gz SRWSHLBOAQUTDL-TZIWHRDSSA-N 1 1 462.941 3.669 20 30 JHEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C#N)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164788563 721463473 /nfs/dbraw/zinc/46/34/73/721463473.db2.gz UABSJZDGHWXNSK-QFIPXVFZSA-N 1 1 483.657 3.672 20 30 JHEDMO N#C[C@H](c1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)nn1)c1ccccc1F ZINC001164963842 722057982 /nfs/dbraw/zinc/05/79/82/722057982.db2.gz NLVZNARZCWDCCP-QHCPKHFHSA-N 1 1 472.568 3.785 20 30 JHEDMO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973037 722155280 /nfs/dbraw/zinc/15/52/80/722155280.db2.gz KJBOEUUFHYRDPH-NFBKMPQASA-N 1 1 476.968 3.916 20 30 JHEDMO N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164974679 722155527 /nfs/dbraw/zinc/15/55/27/722155527.db2.gz OUIJYQZIEPOOTJ-REWPJTCUSA-N 1 1 476.968 3.916 20 30 JHEDMO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973041 722155676 /nfs/dbraw/zinc/15/56/76/722155676.db2.gz KJBOEUUFHYRDPH-OFNKIYASSA-N 1 1 476.968 3.916 20 30 JHEDMO C[NH+]1CCC(Oc2ccnc(N3CCC[C@]4(C3)COCCN(c3cccc(C#N)c3)C4)c2)CC1 ZINC001165005484 722259130 /nfs/dbraw/zinc/25/91/30/722259130.db2.gz XNZPFRGEDRRGGC-MHZLTWQESA-N 1 1 461.610 3.550 20 30 JHEDMO CCCC[N@@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001306683604 1069418144 /nfs/dbraw/zinc/41/81/44/1069418144.db2.gz XQYIPBCJKDHKJU-LJQANCHMSA-N 1 1 494.047 3.707 20 30 JHEDMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CC#N ZINC001306722333 1069459605 /nfs/dbraw/zinc/45/96/05/1069459605.db2.gz HDNIAHBYNRTAOO-PMACEKPBSA-N 1 1 486.690 3.631 20 30 JHEDMO CCCC[N@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001306724209 1069465173 /nfs/dbraw/zinc/46/51/73/1069465173.db2.gz XFUUGRXULYCZHF-DEOSSOPVSA-N 1 1 463.630 3.530 20 30 JHEDMO CCC[N@@H+](CC)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001306801815 1069607007 /nfs/dbraw/zinc/60/70/07/1069607007.db2.gz BIUNJTKHWWDZGG-OAQYLSRUSA-N 1 1 462.440 3.908 20 30 JHEDMO CCCN(CCc1cccs1)c1nnc(-c2cccc(C#N)c2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001307011520 1069712449 /nfs/dbraw/zinc/71/24/49/1069712449.db2.gz DVFPBPJZHSUQOH-UHFFFAOYSA-N 1 1 491.665 3.501 20 30 JHEDMO CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC001312177114 1069766708 /nfs/dbraw/zinc/76/67/08/1069766708.db2.gz JSDZFUJOIUSEGI-JOCHJYFZSA-N 1 1 457.619 3.715 20 30 JHEDMO CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001314203734 1069809293 /nfs/dbraw/zinc/80/92/93/1069809293.db2.gz SBYGUCLWOCTYGL-RQTOMXEWSA-N 1 1 496.656 3.914 20 30 JHEDMO CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC001314203735 1069809179 /nfs/dbraw/zinc/80/91/79/1069809179.db2.gz SBYGUCLWOCTYGL-SLSDLSHTSA-N 1 1 496.656 3.914 20 30 JHEDMO CCC[N@H+]1CCCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001307055150 1069820311 /nfs/dbraw/zinc/82/03/11/1069820311.db2.gz OTQBRULLJWUDSR-IRLDBZIGSA-N 1 1 450.635 3.649 20 30 JHEDMO C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@H+]1Cc1ccccc1 ZINC001312485141 1069965560 /nfs/dbraw/zinc/96/55/60/1069965560.db2.gz IFZRODIRSDFWLU-ZPZUNKDASA-N 1 1 459.594 3.748 20 30 JHEDMO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC001307499719 1070017960 /nfs/dbraw/zinc/01/79/60/1070017960.db2.gz NWEDLPRAZWAEBQ-IBGZPJMESA-N 1 1 452.521 3.673 20 30 JHEDMO Cc1ccc(CNC(=O)C2CC[NH+]([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)cc1 ZINC001307508263 1070024883 /nfs/dbraw/zinc/02/48/83/1070024883.db2.gz GQHGHEWXKYHZJF-FQEVSTJZSA-N 1 1 450.558 3.798 20 30 JHEDMO CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001314277602 1070037958 /nfs/dbraw/zinc/03/79/58/1070037958.db2.gz ZHTIJJRRVXZCBJ-PKTZIBPZSA-N 1 1 466.630 3.854 20 30 JHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1C ZINC001307571406 1070057626 /nfs/dbraw/zinc/05/76/26/1070057626.db2.gz HYFVPYXVRMXMGT-IBGZPJMESA-N 1 1 453.974 3.949 20 30 JHEDMO Cc1cccc(N(CCC#N)C(=O)C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Cl)cn3)C2)c1C ZINC001307571406 1070057641 /nfs/dbraw/zinc/05/76/41/1070057641.db2.gz HYFVPYXVRMXMGT-IBGZPJMESA-N 1 1 453.974 3.949 20 30 JHEDMO N#Cc1ccc(OC2CC[NH+](Cc3cc(=O)n4cc(Br)ccc4n3)CC2)c(F)c1 ZINC001307750963 1070166682 /nfs/dbraw/zinc/16/66/82/1070166682.db2.gz ZSHXFTPFTPYXMJ-UHFFFAOYSA-N 1 1 457.303 3.511 20 30 JHEDMO COc1cc(C#N)ccc1OCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001307938794 1070250450 /nfs/dbraw/zinc/25/04/50/1070250450.db2.gz OAWJZJXPIBUNLC-DLBZAZTESA-N 1 1 457.493 3.971 20 30 JHEDMO CC(C)(C)OC(=O)NC[C@@H]1C[N@@H+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001307939068 1070250475 /nfs/dbraw/zinc/25/04/75/1070250475.db2.gz PGSRVMSBDTURBR-JTNHKYCSSA-N 1 1 458.390 3.960 20 30 JHEDMO CCC[N@H+]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 ZINC001313453364 1070385462 /nfs/dbraw/zinc/38/54/62/1070385462.db2.gz QOXUAIBTBZEZAY-BAGYTPMASA-N 1 1 452.603 3.607 20 30 JHEDMO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H]2OC)C[C@H]1CC ZINC001314496703 1070418933 /nfs/dbraw/zinc/41/89/33/1070418933.db2.gz RUTIROQHZZHBQT-VXNXHJTFSA-N 1 1 466.630 3.569 20 30 JHEDMO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(OC)CCCC2)C[C@H]1CC ZINC001314497480 1070420571 /nfs/dbraw/zinc/42/05/71/1070420571.db2.gz ZBVSYJWDTZXGIR-HSZRJFAPSA-N 1 1 466.630 3.713 20 30 JHEDMO CCOCC[N@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(F)(F)Br)C[C@@H]1CC ZINC001314498138 1070423085 /nfs/dbraw/zinc/42/30/85/1070423085.db2.gz WTYGFVURPXJOPO-SFHVURJKSA-N 1 1 497.388 3.742 20 30 JHEDMO CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001313478304 1070488609 /nfs/dbraw/zinc/48/86/09/1070488609.db2.gz RTGLASMCBGSDSO-GGAORHGYSA-N 1 1 477.657 3.824 20 30 JHEDMO 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CCCC[N@@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001306684717 1069419337 /nfs/dbraw/zinc/41/93/37/1069419337.db2.gz QCDFLTLEMGMIPZ-UHFFFAOYSA-N 1 1 476.604 3.718 20 30 JHEDMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001306722293 1069459634 /nfs/dbraw/zinc/45/96/34/1069459634.db2.gz GLJCJWLSDXAUJW-BJKOFHAPSA-N 1 1 463.630 3.576 20 30 JHEDMO CCCCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)cc1OC ZINC001306747393 1069534876 /nfs/dbraw/zinc/53/48/76/1069534876.db2.gz PQPUEGYRMVDMTF-FQEVSTJZSA-N 1 1 482.629 3.593 20 30 JHEDMO CCCCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC[N@H+]2CCOC[C@@H]2C)cc1OC ZINC001306747393 1069534879 /nfs/dbraw/zinc/53/48/79/1069534879.db2.gz PQPUEGYRMVDMTF-FQEVSTJZSA-N 1 1 482.629 3.593 20 30 JHEDMO CCC[N@@H+](CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC001306801789 1069606975 /nfs/dbraw/zinc/60/69/75/1069606975.db2.gz ARGFVOQUCVGFSS-QHCPKHFHSA-N 1 1 475.645 3.674 20 30 JHEDMO CCC[N@@H+](CC)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CC#N ZINC001306804371 1069613633 /nfs/dbraw/zinc/61/36/33/1069613633.db2.gz NOHVQTGFIPPIEZ-WOJBJXKFSA-N 1 1 461.655 3.863 20 30 JHEDMO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](CC)[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001312009969 1069666444 /nfs/dbraw/zinc/66/64/44/1069666444.db2.gz OHPKUYZYXUYUJR-PZUNEJSGSA-N 1 1 450.583 3.846 20 30 JHEDMO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](CC)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC001312009969 1069666449 /nfs/dbraw/zinc/66/64/49/1069666449.db2.gz OHPKUYZYXUYUJR-PZUNEJSGSA-N 1 1 450.583 3.846 20 30 JHEDMO CCC[N@H+]1CC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC[C@](C)(C#N)C2)C1 ZINC001307037936 1069759949 /nfs/dbraw/zinc/75/99/49/1069759949.db2.gz XSIUGYLSPQWKDE-NBGIEHNGSA-N 1 1 484.048 3.723 20 30 JHEDMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 ZINC001307053384 1069811801 /nfs/dbraw/zinc/81/18/01/1069811801.db2.gz HPVMCCJVPUYCMV-SYYKKAFVSA-N 1 1 456.566 3.550 20 30 JHEDMO C[C@H](c1cccc(Cl)c1)[N@H+](C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC001307420208 1069975751 /nfs/dbraw/zinc/97/57/51/1069975751.db2.gz BSTZKSNLUVACPF-MRXNPFEDSA-N 1 1 453.930 3.801 20 30 JHEDMO C[C@H](c1cccc(Cl)c1)[N@@H+](C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC001307420208 1069975766 /nfs/dbraw/zinc/97/57/66/1069975766.db2.gz BSTZKSNLUVACPF-MRXNPFEDSA-N 1 1 453.930 3.801 20 30 JHEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@H+](CCO)[C@@H]2CCc3ccccc32)cc1 ZINC001307506072 1070023829 /nfs/dbraw/zinc/02/38/29/1070023829.db2.gz AOODXZAYUSPARC-RUZDIDTESA-N 1 1 458.562 3.895 20 30 JHEDMO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)C[N@@H+](CCO)[C@@H]2CCc3ccccc32)cc1 ZINC001307506072 1070023848 /nfs/dbraw/zinc/02/38/48/1070023848.db2.gz AOODXZAYUSPARC-RUZDIDTESA-N 1 1 458.562 3.895 20 30 JHEDMO Cc1ccc(N(CCC#N)C(=O)CN(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1C ZINC001307509136 1070025222 /nfs/dbraw/zinc/02/52/22/1070025222.db2.gz AGXOMTDPJVMAEO-UHFFFAOYSA-N 1 1 453.675 3.678 20 30 JHEDMO CCOCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001314286799 1070060834 /nfs/dbraw/zinc/06/08/34/1070060834.db2.gz POPCBBFSVYOYQB-ZRZAMGCNSA-N 1 1 493.700 3.874 20 30 JHEDMO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2Cc2cc(F)ccc2F)CC1 ZINC001307850482 1070211076 /nfs/dbraw/zinc/21/10/76/1070211076.db2.gz QTTHGJNYASSVFG-LADGPHEKSA-N 1 1 456.512 3.520 20 30 JHEDMO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)CC1 ZINC001307850482 1070211089 /nfs/dbraw/zinc/21/10/89/1070211089.db2.gz QTTHGJNYASSVFG-LADGPHEKSA-N 1 1 456.512 3.520 20 30 JHEDMO CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3C[C@@H](O)COc2ccccc2C#N)n1 ZINC001308121117 1070320153 /nfs/dbraw/zinc/32/01/53/1070320153.db2.gz MYYWBFQXLVCTTC-VZWWMUCISA-N 1 1 455.624 3.653 20 30 JHEDMO CCOCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1 ZINC001314459789 1070364570 /nfs/dbraw/zinc/36/45/70/1070364570.db2.gz NOONYHPWZCWFHJ-UHFFFAOYSA-N 1 1 465.989 3.614 20 30 JHEDMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2[N@@H+](C)CCCC2(C)C)C1 ZINC001313460065 1070408759 /nfs/dbraw/zinc/40/87/59/1070408759.db2.gz MPGFIXPAFAMGPT-GOTSBHOMSA-N 1 1 477.657 3.680 20 30 JHEDMO CCOCC[N@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@@H]1CC ZINC001314496438 1070417250 /nfs/dbraw/zinc/41/72/50/1070417250.db2.gz QVOLXIRUKYUPCV-NRFANRHFSA-N 1 1 450.612 3.864 20 30 JHEDMO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001313467777 1070445382 /nfs/dbraw/zinc/44/53/82/1070445382.db2.gz SOHKRCHIRHLGNQ-LADGPHEKSA-N 1 1 477.657 3.680 20 30 JHEDMO CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC001314563576 1070565902 /nfs/dbraw/zinc/56/59/02/1070565902.db2.gz JSGVZELMHHMDTF-MHYLJGINSA-N 1 1 468.671 3.676 20 30 JHEDMO CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC001314570826 1070576518 /nfs/dbraw/zinc/57/65/18/1070576518.db2.gz ZMFBRFZXIAJJEO-BBXSLGCESA-N 1 1 468.671 3.676 20 30 JHEDMO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001310132738 1071143354 /nfs/dbraw/zinc/14/33/54/1071143354.db2.gz WHBUTJGTCFLYQV-HXUWFJFHSA-N 1 1 456.612 3.621 20 30 JHEDMO CC[N@@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC001313804533 1071215765 /nfs/dbraw/zinc/21/57/65/1071215765.db2.gz BHIUVPWKAZHPSF-NRFANRHFSA-N 1 1 467.618 3.650 20 30 JHEDMO CC[N@@H+](CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@@H](C#N)C1)C(C)C ZINC001313805413 1071219722 /nfs/dbraw/zinc/21/97/22/1071219722.db2.gz PKJXNYYJZYARCR-FQEVSTJZSA-N 1 1 465.627 3.836 20 30 JHEDMO CC[N@@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCOC2)C1)CCC(F)(F)F ZINC001313805674 1071221414 /nfs/dbraw/zinc/22/14/14/1071221414.db2.gz NLVBKWKWKZFWPF-QFIPXVFZSA-N 1 1 462.520 3.708 20 30 JHEDMO CN(CCCn1c(CC2CC2)nnc1N1CC[NH+](Cc2ccc(C#N)cc2)CC1)C(=O)OC(C)(C)C ZINC001314851774 1071223388 /nfs/dbraw/zinc/22/33/88/1071223388.db2.gz AQBWYWWFEKMFRI-UHFFFAOYSA-N 1 1 493.656 3.681 20 30 JHEDMO CC[N@@H+](CCn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1)CCC(F)(F)F ZINC001313807388 1071228070 /nfs/dbraw/zinc/22/80/70/1071228070.db2.gz LUOBFGZZJKWVRZ-UHFFFAOYSA-N 1 1 498.557 3.813 20 30 JHEDMO C[N@@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1)C1CCCC1 ZINC001314867706 1071275482 /nfs/dbraw/zinc/27/54/82/1071275482.db2.gz RAXVQAZFFKEZMF-CYFREDJKSA-N 1 1 475.613 3.666 20 30 JHEDMO Cn1cccc1-c1nnc(N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)n1CCCOC(F)(F)F ZINC001314917951 1071361191 /nfs/dbraw/zinc/36/11/91/1071361191.db2.gz PPSMTXDOBWEHFW-UHFFFAOYSA-N 1 1 487.530 3.794 20 30 JHEDMO CC[N@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(Br)n2)C[C@@H]1C ZINC001313859960 1071366587 /nfs/dbraw/zinc/36/65/87/1071366587.db2.gz JJSZSHJYPLSQJG-DLBZAZTESA-N 1 1 480.414 3.941 20 30 JHEDMO CC[N@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313935430 1071605957 /nfs/dbraw/zinc/60/59/57/1071605957.db2.gz ZYIMTKCZSXGMEI-SFHVURJKSA-N 1 1 467.618 3.650 20 30 JHEDMO CC[NH+]1CCN(C[C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(CC#N)CC2)CC1 ZINC001313955351 1071655411 /nfs/dbraw/zinc/65/54/11/1071655411.db2.gz GCOWTODBNVWHOX-JOCHJYFZSA-N 1 1 493.700 3.878 20 30 JHEDMO CCO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@H+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001314065469 1071911198 /nfs/dbraw/zinc/91/11/98/1071911198.db2.gz KPLHXECDBGDBSY-OFVILXPXSA-N 1 1 480.657 3.957 20 30 JHEDMO CCc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001305941328 1068250448 /nfs/dbraw/zinc/25/04/48/1068250448.db2.gz QKAXGDRTMMZZME-KCWPFWIISA-N 1 1 477.657 3.580 20 30 JHEDMO CCc1nc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2CCCO[C@@H](C)C2)cs1 ZINC001306030670 1068430052 /nfs/dbraw/zinc/43/00/52/1068430052.db2.gz WVVNTYPDTQKLJI-IBGZPJMESA-N 1 1 479.654 3.973 20 30 JHEDMO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CCS1 ZINC001306406472 1068876427 /nfs/dbraw/zinc/87/64/27/1068876427.db2.gz XXRKBDRBTABOOS-FGZHOGPDSA-N 1 1 454.644 3.505 20 30 JHEDMO CCOC(=O)c1cc(C)nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C#N ZINC001164748472 720881239 /nfs/dbraw/zinc/88/12/39/720881239.db2.gz FEJFWLSIJDOTDP-QDPGVEIFSA-N 1 1 489.620 3.589 20 30 JHEDMO N#Cc1cc2c(nc1N1CC[C@]3(C1)C[N@@H+](CC1CC1)C[C@@H]3COCc1cccnc1)CCCC2 ZINC001164752244 720909850 /nfs/dbraw/zinc/90/98/50/720909850.db2.gz NUKVOTDJBIJPCG-LEAFIULHSA-N 1 1 457.622 3.982 20 30 JHEDMO N#CCc1cnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164751304 720927455 /nfs/dbraw/zinc/92/74/55/720927455.db2.gz LDZAPCVAPQHJDH-WIOPSUGQSA-N 1 1 452.002 3.951 20 30 JHEDMO CSc1nc(-c2ccccc2)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1C#N ZINC001164866743 721108213 /nfs/dbraw/zinc/10/82/13/721108213.db2.gz UTXJQPCFEQWAQB-SFTDATJTSA-N 1 1 458.591 3.612 20 30 JHEDMO C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cc(F)c(C#N)cc4-c4ccnc(Cl)n4)C3)O2)CC1 ZINC001164886302 721414290 /nfs/dbraw/zinc/41/42/90/721414290.db2.gz IXHAFISSORGRBH-CLOONOSVSA-N 1 1 485.007 3.573 20 30 JHEDMO C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc5cc(F)ccc5c(Cl)c4C#N)C3)O2)CC1 ZINC001164890033 721452501 /nfs/dbraw/zinc/45/25/01/721452501.db2.gz QDHOEYRWZLOISP-UUOWRZLLSA-N 1 1 457.981 3.664 20 30 JHEDMO COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(C#N)cnc3cnc(Cl)cc31)CC2 ZINC001164786608 721453558 /nfs/dbraw/zinc/45/35/58/721453558.db2.gz NGPVAXZKWNWLOZ-FQEVSTJZSA-N 1 1 470.017 3.889 20 30 JHEDMO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@@]4(C3)CCC[C@@H](CN3CC[NH+](C)CC3)O4)c12 ZINC001164885909 721453826 /nfs/dbraw/zinc/45/38/26/721453826.db2.gz FWGOXPQLOGYHDI-UQBPGWFLSA-N 1 1 454.018 3.834 20 30 JHEDMO C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc5cc(F)c(F)cc5c(Cl)c4C#N)C3)O2)CC1 ZINC001164888365 721453900 /nfs/dbraw/zinc/45/39/00/721453900.db2.gz LSFVSBRWUZUCBD-UPCLLVRISA-N 1 1 475.971 3.803 20 30 JHEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(-c3ccncc3)ccc1C#N)CC2 ZINC001164787519 721466853 /nfs/dbraw/zinc/46/68/53/721466853.db2.gz GIJAENYNTRSFMJ-XMMPIXPASA-N 1 1 461.610 3.749 20 30 JHEDMO CSc1nc(Cl)c(C#N)c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905027 721583439 /nfs/dbraw/zinc/58/34/39/721583439.db2.gz RQWQLEUXGRRSAX-LJQANCHMSA-N 1 1 450.946 3.856 20 30 JHEDMO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164912937 721724412 /nfs/dbraw/zinc/72/44/12/721724412.db2.gz RINACHAHRWVAPL-DFBJGRDBSA-N 1 1 492.530 3.543 20 30 JHEDMO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC001164912936 721724726 /nfs/dbraw/zinc/72/47/26/721724726.db2.gz RINACHAHRWVAPL-CLOONOSVSA-N 1 1 492.530 3.543 20 30 JHEDMO C=CC[NH+]1CCN(c2ncnc3cc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)cc32)CC1 ZINC001165032401 721870151 /nfs/dbraw/zinc/87/01/51/721870151.db2.gz QLNODVCXPFJLOE-UHFFFAOYSA-N 1 1 454.571 3.841 20 30 JHEDMO CSc1nc(-c2ccccc2)nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164970977 722128118 /nfs/dbraw/zinc/12/81/18/722128118.db2.gz AZSJYFJKGPBVSD-GGAORHGYSA-N 1 1 472.618 3.859 20 30 JHEDMO N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164974673 722155540 /nfs/dbraw/zinc/15/55/40/722155540.db2.gz OUIJYQZIEPOOTJ-NFBKMPQASA-N 1 1 476.968 3.916 20 30 JHEDMO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC[C@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995466 722208356 /nfs/dbraw/zinc/20/83/56/722208356.db2.gz NUBCVQYJNBWATR-FNZWTVRRSA-N 1 1 459.525 3.794 20 30 JHEDMO CCCC[N@@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001306681399 1069410415 /nfs/dbraw/zinc/41/04/15/1069410415.db2.gz LSAJOQMFAHCOBU-IBGZPJMESA-N 1 1 494.047 3.707 20 30 JHEDMO CCCC[N@@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 ZINC001306682364 1069413206 /nfs/dbraw/zinc/41/32/06/1069413206.db2.gz FELVAMYMTNZCMM-FQEVSTJZSA-N 1 1 478.670 3.888 20 30 JHEDMO CCCC[N@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001306719573 1069453392 /nfs/dbraw/zinc/45/33/92/1069453392.db2.gz CVXCGMLDUMRJDQ-QHCPKHFHSA-N 1 1 463.630 3.677 20 30 JHEDMO CCCC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C#N ZINC001306723639 1069464207 /nfs/dbraw/zinc/46/42/07/1069464207.db2.gz TWRMWJUMBDXDIA-PZJWPPBQSA-N 1 1 452.603 3.967 20 30 JHEDMO CCOC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[N@H+](C(C)C)CC2)CCCC1 ZINC001314152379 1069616280 /nfs/dbraw/zinc/61/62/80/1069616280.db2.gz LADCMLWHLIUMBZ-UHFFFAOYSA-N 1 1 466.630 3.999 20 30 JHEDMO CCC[N@@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001306807698 1069622124 /nfs/dbraw/zinc/62/21/24/1069622124.db2.gz YCUVSHRQPMKIJY-UHFFFAOYSA-N 1 1 467.618 3.606 20 30 JHEDMO CCC[N@H+]1CC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC[C@](C)(C#N)C2)C1 ZINC001307037932 1069760066 /nfs/dbraw/zinc/76/00/66/1069760066.db2.gz XSIUGYLSPQWKDE-CJFMBICVSA-N 1 1 484.048 3.723 20 30 JHEDMO CCC[N@H+]1CC[C@@H](Cn2c(COc3ccc(Br)cc3)nnc2N(C)C[C@H](C)C#N)C1 ZINC001307046866 1069786684 /nfs/dbraw/zinc/78/66/84/1069786684.db2.gz SCKGLCMDTFFHGJ-QZTJIDSGSA-N 1 1 475.435 3.947 20 30 JHEDMO CCC[N@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 ZINC001307057250 1069833423 /nfs/dbraw/zinc/83/34/23/1069833423.db2.gz XFDBLKCBNWSZAA-VAMGGRTRSA-N 1 1 456.566 3.550 20 30 JHEDMO CCC[N@H+]1CCCC[C@H]1Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N(C)[C@@H](C)CC#N ZINC001307063295 1069862711 /nfs/dbraw/zinc/86/27/11/1069862711.db2.gz PQXUQVVQJGSDQS-PMACEKPBSA-N 1 1 476.629 3.678 20 30 JHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001307472780 1070005408 /nfs/dbraw/zinc/00/54/08/1070005408.db2.gz OPXHRWUISCOZGV-DYVFJYSZSA-N 1 1 455.864 3.929 20 30 JHEDMO C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)[N@@H+](C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC001307472780 1070005428 /nfs/dbraw/zinc/00/54/28/1070005428.db2.gz OPXHRWUISCOZGV-DYVFJYSZSA-N 1 1 455.864 3.929 20 30 JHEDMO C=C(C)[C@@H]([NH2+]CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1)c1ccc(F)c(F)c1 ZINC001307698404 1070134111 /nfs/dbraw/zinc/13/41/11/1070134111.db2.gz NDJNXYIGNOLCHZ-AREMUKBSSA-N 1 1 455.549 3.912 20 30 JHEDMO COc1ccccc1N(CCC#N)C(=O)[C@@H](C)[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC001307741860 1070161238 /nfs/dbraw/zinc/16/12/38/1070161238.db2.gz QUIRSUJGUNGNAF-WBVHZDCISA-N 1 1 451.445 3.552 20 30 JHEDMO COc1ccc(C[N@@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C(C)(C)C)cc1 ZINC001307815364 1070195985 /nfs/dbraw/zinc/19/59/85/1070195985.db2.gz NICWAIBYAXQWQI-XMMPIXPASA-N 1 1 452.574 3.844 20 30 JHEDMO CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCC[N@H+]1CCC[C@@H](C)C1 ZINC001314402422 1070264546 /nfs/dbraw/zinc/26/45/46/1070264546.db2.gz FASJZKAMYMZSAM-ZJSXRUAMSA-N 1 1 466.630 3.776 20 30 JHEDMO CC(C)(C)c1csc(CC2(O)CC[NH+]([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n1 ZINC001308007794 1070276793 /nfs/dbraw/zinc/27/67/93/1070276793.db2.gz XJAIFFKOBLPYJR-FQEVSTJZSA-N 1 1 452.624 3.877 20 30 JHEDMO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001313467781 1070445372 /nfs/dbraw/zinc/44/53/72/1070445372.db2.gz SOHKRCHIRHLGNQ-VWNXMTODSA-N 1 1 477.657 3.680 20 30 JHEDMO CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC001313520607 1070586273 /nfs/dbraw/zinc/58/62/73/1070586273.db2.gz DLHMRBPCRZBKAH-JWQCQUIFSA-N 1 1 480.657 3.959 20 30 JHEDMO CCS[C@@H]1CC[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001314598412 1070644066 /nfs/dbraw/zinc/64/40/66/1070644066.db2.gz KJHGKGQFBRORII-JTHBVZDNSA-N 1 1 498.697 3.950 20 30 JHEDMO CN(C)C(=O)[C@H]1CCC[N@H+]1CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 ZINC001314628209 1070723431 /nfs/dbraw/zinc/72/34/31/1070723431.db2.gz HISUOBMZSCWXLO-JOCHJYFZSA-N 1 1 498.075 3.595 20 30 JHEDMO CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 ZINC001314628210 1070723730 /nfs/dbraw/zinc/72/37/30/1070723730.db2.gz HISUOBMZSCWXLO-QFIPXVFZSA-N 1 1 498.075 3.595 20 30 JHEDMO C[NH+](C)CCN1CCC(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C#N)CC2)CC1 ZINC001314669768 1070809005 /nfs/dbraw/zinc/80/90/05/1070809005.db2.gz KUUANMAZAFGJPD-UHFFFAOYSA-N 1 1 474.028 3.751 20 30 JHEDMO N#Cc1sccc1S(=O)(=O)N(Cc1ccncc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001309525530 1070828034 /nfs/dbraw/zinc/82/80/34/1070828034.db2.gz UZKSNAHKFCZGLW-OAQYLSRUSA-N 1 1 452.605 3.870 20 30 JHEDMO N#Cc1sccc1S(=O)(=O)N(Cc1ccncc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC001309525530 1070828062 /nfs/dbraw/zinc/82/80/62/1070828062.db2.gz UZKSNAHKFCZGLW-OAQYLSRUSA-N 1 1 452.605 3.870 20 30 JHEDMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC001309749085 1070952666 /nfs/dbraw/zinc/95/26/66/1070952666.db2.gz IEJRSEKVBBPJKB-IZZNHLLZSA-N 1 1 461.587 3.654 20 30 JHEDMO CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 ZINC001310182806 1071188578 /nfs/dbraw/zinc/18/85/78/1071188578.db2.gz VQOPPHPASJWHIU-PAEYTKSYSA-N 1 1 451.637 3.522 20 30 JHEDMO CC[N@@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1nncn1C)CCC(F)(F)F ZINC001313807744 1071230074 /nfs/dbraw/zinc/23/00/74/1071230074.db2.gz XKIVJNQCZOOHSA-LJQANCHMSA-N 1 1 487.534 3.561 20 30 JHEDMO C[N@H+]1CCC[C@H](N2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)C1 ZINC001310249016 1071236235 /nfs/dbraw/zinc/23/62/35/1071236235.db2.gz TZGDUXUCLJDNEM-QFIPXVFZSA-N 1 1 451.546 3.520 20 30 JHEDMO CC[N@@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCCC2)C1)C(C)C ZINC001313820906 1071279888 /nfs/dbraw/zinc/27/98/88/1071279888.db2.gz WXJFGSYKVCJQTK-UHFFFAOYSA-N 1 1 452.603 3.608 20 30 JHEDMO CC[N@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC001313899877 1071508880 /nfs/dbraw/zinc/50/88/80/1071508880.db2.gz KWLAAPXMQPVITJ-PKTZIBPZSA-N 1 1 452.603 3.529 20 30 JHEDMO CC[N@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001313908332 1071529369 /nfs/dbraw/zinc/52/93/69/1071529369.db2.gz MFYCXEIQTVAHME-HXUWFJFHSA-N 1 1 493.553 3.714 20 30 JHEDMO CC[N@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@H]1C ZINC001313931110 1071590933 /nfs/dbraw/zinc/59/09/33/1071590933.db2.gz HDVKROMJQWKGMZ-LJQANCHMSA-N 1 1 479.629 3.747 20 30 JHEDMO CC[NH+]1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001313957268 1071660142 /nfs/dbraw/zinc/66/01/42/1071660142.db2.gz QFDSTZYMTMPMKE-NRFANRHFSA-N 1 1 451.663 3.648 20 30 JHEDMO CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCC[N@H+]2CCC[C@@H](C)C2)c2ccccc2c1=O ZINC001313959175 1071666212 /nfs/dbraw/zinc/66/62/12/1071666212.db2.gz MCZYXVQSCPRUSC-NHCUHLMSSA-N 1 1 490.656 3.783 20 30 JHEDMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001306317647 1068739268 /nfs/dbraw/zinc/73/92/68/1068739268.db2.gz AZBNYRZBYFEYQD-HSZRJFAPSA-N 1 1 477.657 3.776 20 30 JHEDMO CC[C@H]1CCCC[N@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C#N ZINC001306319231 1068744097 /nfs/dbraw/zinc/74/40/97/1068744097.db2.gz RLIQIBIDPIPOFP-AEFFLSMTSA-N 1 1 462.440 3.906 20 30 JHEDMO CC[C@@H]1CCCC[N@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCCOC)C1 ZINC001306320861 1068750420 /nfs/dbraw/zinc/75/04/20/1068750420.db2.gz YAQZZEYGNDLPOI-RPWUZVMVSA-N 1 1 466.630 3.713 20 30 JHEDMO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+]2CCCC[C@@H]2CC)C1 ZINC001306498697 1069051084 /nfs/dbraw/zinc/05/10/84/1069051084.db2.gz KXOQYPDHTDWPGA-RPWUZVMVSA-N 1 1 477.657 3.966 20 30 JHEDMO CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC001306551469 1069215392 /nfs/dbraw/zinc/21/53/92/1069215392.db2.gz XVSGDECOERYXKN-NHCUHLMSSA-N 1 1 477.657 3.680 20 30 JHEDMO C[C@@H]1C[N@H+](Cc2ccc(CNC(=O)Nc3ccc(Br)c(C#N)n3)cc2)C[C@H](C)O1 ZINC001311072153 1069264624 /nfs/dbraw/zinc/26/46/24/1069264624.db2.gz HHNYFTMRPTYYRF-GASCZTMLSA-N 1 1 458.360 3.647 20 30 JHEDMO CCCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)o1 ZINC001306612618 1069291372 /nfs/dbraw/zinc/29/13/72/1069291372.db2.gz LXZMPGUAYRYVFY-GOSISDBHSA-N 1 1 463.586 3.556 20 30 JHEDMO COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc(C3(C#N)CCOCC3)cn1)CC2 ZINC001164714750 720136341 /nfs/dbraw/zinc/13/63/41/720136341.db2.gz YMGPAURZBFAHIU-XMMPIXPASA-N 1 1 461.610 3.556 20 30 JHEDMO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866422 721197411 /nfs/dbraw/zinc/19/74/11/721197411.db2.gz ADQZUWMTPPTVAV-CVEARBPZSA-N 1 1 455.896 3.913 20 30 JHEDMO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)ccc3C#N)C2)C1 ZINC001164776760 721352266 /nfs/dbraw/zinc/35/22/66/721352266.db2.gz CROPACMLGFYYMZ-OAQYLSRUSA-N 1 1 465.932 3.875 20 30 JHEDMO Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3nc(Cl)ccc3C#N)C2)C1 ZINC001164776760 721352269 /nfs/dbraw/zinc/35/22/69/721352269.db2.gz CROPACMLGFYYMZ-OAQYLSRUSA-N 1 1 465.932 3.875 20 30 JHEDMO COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)cc1C#N)CC2 ZINC001164785859 721464298 /nfs/dbraw/zinc/46/42/98/721464298.db2.gz OEVWUICSTKCPKD-LJQANCHMSA-N 1 1 468.976 3.885 20 30 JHEDMO CSc1nc(Cl)c(C=NO)c(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164940613 721923722 /nfs/dbraw/zinc/92/37/22/721923722.db2.gz UVWAWERRQCNBEZ-UHFFFAOYSA-N 1 1 462.019 3.840 20 30 JHEDMO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@@]2(CC[N@H+]2Cc2cccc(F)c2)C1 ZINC001164995480 722208584 /nfs/dbraw/zinc/20/85/84/722208584.db2.gz NUBCVQYJNBWATR-FQRUVTKNSA-N 1 1 459.525 3.794 20 30 JHEDMO