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 1069315978 /nfs/dbraw/zinc/31/59/78/1069315978.db2.gz ULQWCRVMWBBQJK-GGAORHGYSA-N 1 0 468.671 3.897 20 30 JHEDRO CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCSC2)CC[N@@H+]1CCOC ZINC001306623679 1069316150 /nfs/dbraw/zinc/31/61/50/1069316150.db2.gz ULQWCRVMWBBQJK-JTHBVZDNSA-N 1 0 468.671 3.897 20 30 JHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001311493274 1069404154 /nfs/dbraw/zinc/40/41/54/1069404154.db2.gz LGJDVOIYRCRDRD-NLFFAJNJSA-N 1 0 459.594 3.927 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001306719572 1069453475 /nfs/dbraw/zinc/45/34/75/1069453475.db2.gz CVXCGMLDUMRJDQ-HSZRJFAPSA-N 1 0 463.630 3.677 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001306724087 1069464856 /nfs/dbraw/zinc/46/48/56/1069464856.db2.gz WFKWYLFMNQMBNA-XMMPIXPASA-N 1 0 477.657 3.953 20 30 JHEDRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[N@H+](CCC)C2)C1 ZINC001306739457 1069511541 /nfs/dbraw/zinc/51/15/41/1069511541.db2.gz YYVIZKNDJHVWDT-ISKFKSNPSA-N 1 0 477.657 3.681 20 30 JHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001312126576 1069733613 /nfs/dbraw/zinc/73/36/13/1069733613.db2.gz CSMVSVIZJQPQLN-CVDCTZTESA-N 1 0 452.002 3.954 20 30 JHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1C ZINC001307056576 1069828695 /nfs/dbraw/zinc/82/86/95/1069828695.db2.gz BNWXDIZVDBCSLD-QHCPKHFHSA-N 1 0 476.629 3.672 20 30 JHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001307057077 1069831922 /nfs/dbraw/zinc/83/19/22/1069831922.db2.gz VJTLHGJYPBGTQK-ZEQRLZLVSA-N 1 0 466.630 3.711 20 30 JHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001307057071 1069832350 /nfs/dbraw/zinc/83/23/50/1069832350.db2.gz VJTLHGJYPBGTQK-BJKOFHAPSA-N 1 0 466.630 3.711 20 30 JHEDRO C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC001312310305 1069854136 /nfs/dbraw/zinc/85/41/36/1069854136.db2.gz KUXXBRKYRNPCBQ-UHFFFAOYSA-N 1 0 452.599 3.592 20 30 JHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC(OCC[NH+]3CCCC3)CC2)c1C#N ZINC001307503571 1070021411 /nfs/dbraw/zinc/02/14/11/1070021411.db2.gz IGOQKPMUTZCLGA-UHFFFAOYSA-N 1 0 455.647 3.997 20 30 JHEDRO C#C[C@@H]1CCCN(C(=O)NCC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001312850977 1070155174 /nfs/dbraw/zinc/15/51/74/1070155174.db2.gz IGUCPYZSZNXACI-OAQYLSRUSA-N 1 0 454.615 3.601 20 30 JHEDRO O=C(N1CCc2ccc([C@@H](O)C[NH+]3CCC4(CC3)C(F)(F)C4(F)F)cc2C1)C(F)(F)F ZINC001307902825 1070232597 /nfs/dbraw/zinc/23/25/97/1070232597.db2.gz BVMIIGDFZZKFSW-HNNXBMFYSA-N 1 0 454.386 3.533 20 30 JHEDRO C=CCN(Cc1cc(Br)ccc1F)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC001313082609 1070244013 /nfs/dbraw/zinc/24/40/13/1070244013.db2.gz SKMQATQYIJAHIF-WOJBJXKFSA-N 1 0 466.395 3.929 20 30 JHEDRO C[C@H]([NH2+]CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccc(C#N)c1 ZINC001308066082 1070299849 /nfs/dbraw/zinc/29/98/49/1070299849.db2.gz MCTCQRDWTVMTNG-AWEZNQCLSA-N 1 0 451.880 3.625 20 30 JHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3cc(-c4ccc(F)cc4F)on3)CC2)cc1 ZINC001313234223 1070301045 /nfs/dbraw/zinc/30/10/45/1070301045.db2.gz QJTDYRXLZSZXIW-UHFFFAOYSA-N 1 0 451.477 3.909 20 30 JHEDRO 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 1070322154 /nfs/dbraw/zinc/32/21/54/1070322154.db2.gz QLWUSCPDOMHYBB-YUELXQCFSA-N 1 0 458.349 3.595 20 30 JHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cnnn2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001308272725 1070349119 /nfs/dbraw/zinc/34/91/19/1070349119.db2.gz IBYUGCSMFHWXRS-TZIWHRDSSA-N 1 0 454.575 3.821 20 30 JHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001308514135 1070383897 /nfs/dbraw/zinc/38/38/97/1070383897.db2.gz VKINAWGNGSUMSR-NRFANRHFSA-N 1 0 453.377 3.577 20 30 JHEDRO CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001314490058 1070401446 /nfs/dbraw/zinc/40/14/46/1070401446.db2.gz IRICOECTWBZGRI-FYYLOGMGSA-N 1 0 466.630 3.856 20 30 JHEDRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2c(C)noc2C)C[C@H]1CC ZINC001314495959 1070416221 /nfs/dbraw/zinc/41/62/21/1070416221.db2.gz MJVPAUYWTXOATO-HSZRJFAPSA-N 1 0 477.613 3.601 20 30 JHEDRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCC[N@@H+]2CCC)CC1 ZINC001313469554 1070453060 /nfs/dbraw/zinc/45/30/60/1070453060.db2.gz WVMHKCUZTBKILC-DEOSSOPVSA-N 1 0 477.657 3.824 20 30 JHEDRO CCCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2([NH+](C)C)CCC2)cc1OC ZINC001313505911 1070545524 /nfs/dbraw/zinc/54/55/24/1070545524.db2.gz PJWOBMHVLSANDN-HSZRJFAPSA-N 1 0 456.566 3.669 20 30 JHEDRO CCCOc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)cn1 ZINC001313514255 1070570333 /nfs/dbraw/zinc/57/03/33/1070570333.db2.gz QMZBKYNEPGVIQU-UHFFFAOYSA-N 1 0 459.598 3.969 20 30 JHEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)cc(C#N)c2)[C@H]1c1cccs1 ZINC001309221381 1070620997 /nfs/dbraw/zinc/62/09/97/1070620997.db2.gz ZWSKZTKQIHXTQS-KDOFPFPSSA-N 1 0 454.415 3.744 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 ZINC001314647295 1070749252 /nfs/dbraw/zinc/74/92/52/1070749252.db2.gz PXLDEGKQAAEUEG-NHCUHLMSSA-N 1 0 487.446 3.947 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccsc1 ZINC001314647745 1070750674 /nfs/dbraw/zinc/75/06/74/1070750674.db2.gz DCQXEMNFNPLSMY-QFIPXVFZSA-N 1 0 491.665 3.876 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 ZINC001314650261 1070757926 /nfs/dbraw/zinc/75/79/26/1070757926.db2.gz ZFIRTBWLCPTDRE-ZWKOTPCHSA-N 1 0 487.427 3.801 20 30 JHEDRO C[NH+](C)[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@](C)(C#N)C1)C1CC1 ZINC001314651124 1070760645 /nfs/dbraw/zinc/76/06/45/1070760645.db2.gz OXFDQJOFVZLMDJ-UZINWLIJSA-N 1 0 485.677 3.863 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1)c1ccco1 ZINC001314652121 1070762572 /nfs/dbraw/zinc/76/25/72/1070762572.db2.gz DHAXQQNVDTWDBG-GCJKJVERSA-N 1 0 458.925 3.848 20 30 JHEDRO C[NH+](C)C1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 ZINC001314661070 1070785885 /nfs/dbraw/zinc/78/58/85/1070785885.db2.gz ZWZOVOHDACTAFD-HSZRJFAPSA-N 1 0 457.022 3.763 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001314665096 1070796090 /nfs/dbraw/zinc/79/60/90/1070796090.db2.gz AVLYLESRDHYGKB-UHFFFAOYSA-N 1 0 456.038 3.670 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 ZINC001313662822 1070870829 /nfs/dbraw/zinc/87/08/29/1070870829.db2.gz XFASTDKAPJIOIW-HXUWFJFHSA-N 1 0 476.604 3.716 20 30 JHEDRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314708026 1070880581 /nfs/dbraw/zinc/88/05/81/1070880581.db2.gz ZYRRCUOCHVIIGJ-IBGZPJMESA-N 1 0 465.627 3.532 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccsc1 ZINC001313671430 1070899793 /nfs/dbraw/zinc/89/97/93/1070899793.db2.gz IZACCYQXYBJABW-REWPJTCUSA-N 1 0 452.632 3.953 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)c1ccsc1 ZINC001313675368 1070915694 /nfs/dbraw/zinc/91/56/94/1070915694.db2.gz SJYYABPMEROZSM-QFIPXVFZSA-N 1 0 477.638 3.663 20 30 JHEDRO CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314739921 1070974001 /nfs/dbraw/zinc/97/40/01/1070974001.db2.gz JUOWNGWZQGEIRL-FQEVSTJZSA-N 1 0 486.605 3.798 20 30 JHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)C1 ZINC001313702309 1070983542 /nfs/dbraw/zinc/98/35/42/1070983542.db2.gz OEOLHXIOVSXFQW-SFHVURJKSA-N 1 0 466.540 3.761 20 30 JHEDRO CC[NH+](CC)Cc1ccccc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 ZINC001313705099 1070993121 /nfs/dbraw/zinc/99/31/21/1070993121.db2.gz QYEIEUSBMXVTRN-UHFFFAOYSA-N 1 0 491.665 3.900 20 30 JHEDRO CC[NH+](CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313712416 1071008457 /nfs/dbraw/zinc/00/84/57/1071008457.db2.gz PNNBIUZMAOPAGT-DENIHFKCSA-N 1 0 481.645 3.898 20 30 JHEDRO CC[NH+](CC)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2ccc(Cl)nc2C1 ZINC001313718569 1071018907 /nfs/dbraw/zinc/01/89/07/1071018907.db2.gz SAMNINZCMFNIKG-UHFFFAOYSA-N 1 0 480.016 3.786 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2csc(C)n2)CC1 ZINC001313721615 1071024561 /nfs/dbraw/zinc/02/45/61/1071024561.db2.gz OKFKPHDGQYSUCN-LJQANCHMSA-N 1 0 478.670 3.634 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccccc2C#N)CC1 ZINC001313728161 1071038669 /nfs/dbraw/zinc/03/86/69/1071038669.db2.gz PZKQPSBAWPEEIV-HXUWFJFHSA-N 1 0 463.655 3.859 20 30 JHEDRO CN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)CC(F)(F)F ZINC001314850013 1071214589 /nfs/dbraw/zinc/21/45/89/1071214589.db2.gz UCUSEKRKHCXDEZ-NRFANRHFSA-N 1 0 475.563 3.766 20 30 JHEDRO 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 1071223672 /nfs/dbraw/zinc/22/36/72/1071223672.db2.gz RYZCYMJHGIROEE-LVXARBLLSA-N 1 0 479.629 3.650 20 30 JHEDRO C[N@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1)C1CCCC1 ZINC001314867707 1071275310 /nfs/dbraw/zinc/27/53/10/1071275310.db2.gz RAXVQAZFFKEZMF-YADARESESA-N 1 0 475.613 3.666 20 30 JHEDRO C[N@@H+]1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC001314931359 1071375659 /nfs/dbraw/zinc/37/56/59/1071375659.db2.gz RMOTUOFSZHKXTL-HXUWFJFHSA-N 1 0 475.563 3.621 20 30 JHEDRO C[N@@H+]1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1(C)C ZINC001314932074 1071378596 /nfs/dbraw/zinc/37/85/96/1071378596.db2.gz YWEXUXFUTPUQIZ-HSZRJFAPSA-N 1 0 479.673 3.627 20 30 JHEDRO 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 1071404644 /nfs/dbraw/zinc/40/46/44/1071404644.db2.gz NWQRTGZUTAQUFT-QSAFDGGLSA-N 1 0 462.598 3.853 20 30 JHEDRO CC[NH+]1CCC(CCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001313882306 1071458399 /nfs/dbraw/zinc/45/83/99/1071458399.db2.gz ZKOIYXWDJZVARJ-HXUWFJFHSA-N 1 0 462.520 3.706 20 30 JHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001313890102 1071481326 /nfs/dbraw/zinc/48/13/26/1071481326.db2.gz MGSMMUIZLMDGNF-FQEVSTJZSA-N 1 0 479.629 3.652 20 30 JHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001313892290 1071486988 /nfs/dbraw/zinc/48/69/88/1071486988.db2.gz DIAJLBSXBMGMEN-UQBPGWFLSA-N 1 0 468.602 3.585 20 30 JHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001313891913 1071485401 /nfs/dbraw/zinc/48/54/01/1071485401.db2.gz ALNWJFSQPDHLKH-UTKZUKDTSA-N 1 0 460.424 3.660 20 30 JHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313910603 1071535949 /nfs/dbraw/zinc/53/59/49/1071535949.db2.gz XIFMJGMZXACJGD-VXKWHMMOSA-N 1 0 479.629 3.795 20 30 JHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001313913742 1071544346 /nfs/dbraw/zinc/54/43/46/1071544346.db2.gz LRUWMLWUKVWAON-CTNGQTDRSA-N 1 0 452.603 3.607 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC001313934370 1071602264 /nfs/dbraw/zinc/60/22/64/1071602264.db2.gz UMAOPFOMSQQXQY-SFHVURJKSA-N 1 0 463.586 3.699 20 30 JHEDRO CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H](c2ccccc2)[NH+](CC)CC)CCOC1 ZINC001314099768 1071982815 /nfs/dbraw/zinc/98/28/15/1071982815.db2.gz CCOJFNUYEDALGF-ZEQKJWHPSA-N 1 0 466.630 3.753 20 30 JHEDRO CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCOC1 ZINC001314100937 1071984788 /nfs/dbraw/zinc/98/47/88/1071984788.db2.gz OVGBCJVBNSLXGA-FNZWTVRRSA-N 1 0 466.630 3.800 20 30 JHEDRO CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CCOC1 ZINC001314113482 1072009430 /nfs/dbraw/zinc/00/94/30/1072009430.db2.gz PLGNGCSUVZMZEF-IPVFLDMMSA-N 1 0 472.678 3.817 20 30 JHEDRO CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCC[NH+]1CCC(C)CC1 ZINC001306193292 1068584376 /nfs/dbraw/zinc/58/43/76/1068584376.db2.gz FSLNXEKCBCUCKG-UHFFFAOYSA-N 1 0 453.610 3.690 20 30 JHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001306325858 1068762945 /nfs/dbraw/zinc/76/29/45/1068762945.db2.gz VMCQMIJPTGHCIC-OFVILXPXSA-N 1 0 458.651 3.713 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001306326501 1068764278 /nfs/dbraw/zinc/76/42/78/1068764278.db2.gz YPGAKUQTZHRMJI-IFMALSPDSA-N 1 0 466.630 3.997 20 30 JHEDRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCCC[C@H]2CC)C1 ZINC001306498696 1069051093 /nfs/dbraw/zinc/05/10/93/1069051093.db2.gz KXOQYPDHTDWPGA-DNQXCXABSA-N 1 0 477.657 3.966 20 30 JHEDRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001306517809 1069129134 /nfs/dbraw/zinc/12/91/34/1069129134.db2.gz INSRZXCKQJKTSH-JOCHJYFZSA-N 1 0 477.657 3.824 20 30 JHEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@@H](c3cccc(C#N)c3)C(F)(F)F)cc2)CC1 ZINC001311144477 1069283472 /nfs/dbraw/zinc/28/34/72/1069283472.db2.gz IFQVSDKGJCPGFN-QFIPXVFZSA-N 1 0 459.516 3.799 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164624025 719047240 /nfs/dbraw/zinc/04/72/40/719047240.db2.gz NQLDENARPXAYSX-GCJKJVERSA-N 1 0 460.912 3.912 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc(CC#N)cc3Cl)CC2)c2ccccc21 ZINC001164687252 719680642 /nfs/dbraw/zinc/68/06/42/719680642.db2.gz RHATYLMZDHHZMD-HXUWFJFHSA-N 1 0 466.029 3.894 20 30 JHEDRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(C#N)cc3)c1)CC2 ZINC001164691021 719757363 /nfs/dbraw/zinc/75/73/63/719757363.db2.gz KDCUZIQCCHFCQN-UHFFFAOYSA-N 1 0 473.955 3.999 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164808104 720138013 /nfs/dbraw/zinc/13/80/13/720138013.db2.gz DOWPLSLRWOLOJF-VGOFRKELSA-N 1 0 482.959 3.513 20 30 JHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1cccc(C#N)c1)C2 ZINC001164811956 720197570 /nfs/dbraw/zinc/19/75/70/720197570.db2.gz KNEATWWWHXYVGW-CYFREDJKSA-N 1 0 453.974 3.979 20 30 JHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c12 ZINC001164815596 720248493 /nfs/dbraw/zinc/24/84/93/720248493.db2.gz CQKHLVOMJLRSSH-UHFFFAOYSA-N 1 0 450.974 3.876 20 30 JHEDRO N#Cc1c(Cl)nccc1C(F)(F)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844439 720741461 /nfs/dbraw/zinc/74/14/61/720741461.db2.gz SFFAWZCEMQHVCM-UHFFFAOYSA-N 1 0 455.900 3.509 20 30 JHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743499 720811562 /nfs/dbraw/zinc/81/15/62/720811562.db2.gz GEQUIMBRCURAFN-RVKKMQEKSA-N 1 0 482.366 3.776 20 30 JHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745431 720860324 /nfs/dbraw/zinc/86/03/24/720860324.db2.gz DLFOIPOQYQXTJR-SGXKBVARSA-N 1 0 465.964 3.870 20 30 JHEDRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(C#N)cc4)c3)CC[C@H]2C1 ZINC001164856953 720892488 /nfs/dbraw/zinc/89/24/88/720892488.db2.gz INBAKYYACQFKIF-SIKLNZKXSA-N 1 0 476.955 3.992 20 30 JHEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)c4C#N)C3)O2)CC1 ZINC001164885605 721384115 /nfs/dbraw/zinc/38/41/15/721384115.db2.gz CVFMLMPMAOLBJX-MGPUTAFESA-N 1 0 474.383 3.570 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(C#N)c(Cl)cc1Cl)CC2 ZINC001164791670 721470835 /nfs/dbraw/zinc/47/08/35/721470835.db2.gz XKMNGUCOAKGMJS-QGZVFWFLSA-N 1 0 453.414 3.994 20 30 JHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164984284 722102677 /nfs/dbraw/zinc/10/26/77/722102677.db2.gz SBROEIYUKBPFNQ-RMTZWNOUSA-N 1 0 454.578 3.563 20 30 JHEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164970973 722128482 /nfs/dbraw/zinc/12/84/82/722128482.db2.gz AZSJYFJKGPBVSD-FYYLOGMGSA-N 1 0 472.618 3.859 20 30 JHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995484 722208694 /nfs/dbraw/zinc/20/86/94/722208694.db2.gz NUBCVQYJNBWATR-IBVKSMDESA-N 1 0 459.525 3.794 20 30 JHEDRO CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CC(F)(F)C2)CC[N@@H+]1CCOC ZINC001306622052 1069311475 /nfs/dbraw/zinc/31/14/75/1069311475.db2.gz GXNZXAXUADWYCH-NRFANRHFSA-N 1 0 458.557 3.799 20 30 JHEDRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1 ZINC001306677916 1069402330 /nfs/dbraw/zinc/40/23/30/1069402330.db2.gz FAHVJUPWOTXSSN-XMMPIXPASA-N 1 0 466.630 3.571 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001306682625 1069413915 /nfs/dbraw/zinc/41/39/15/1069413915.db2.gz JYAWOCVRQYBUPB-UHFFFAOYSA-N 1 0 479.032 3.924 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001306724126 1069464784 /nfs/dbraw/zinc/46/47/84/1069464784.db2.gz WJXHHADTISJCOD-ILBGXUMGSA-N 1 0 477.657 3.776 20 30 JHEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCn2ccnc2C)C1 ZINC001306726577 1069469973 /nfs/dbraw/zinc/46/99/73/1069469973.db2.gz DXCNWIOZICJZJY-WMZHIEFXSA-N 1 0 474.613 3.543 20 30 JHEDRO CCC[N@H+](CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 ZINC001306802195 1069608874 /nfs/dbraw/zinc/60/88/74/1069608874.db2.gz HMRIAGNFRZJOOD-UHFFFAOYSA-N 1 0 467.618 3.606 20 30 JHEDRO CCOc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC[NH+]2CCSCC2)cc1OC ZINC001314172418 1069689339 /nfs/dbraw/zinc/68/93/39/1069689339.db2.gz HMVGFFVIEVSEEV-UHFFFAOYSA-N 1 0 470.643 3.531 20 30 JHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001312126575 1069733569 /nfs/dbraw/zinc/73/35/69/1069733569.db2.gz CSMVSVIZJQPQLN-AUSIDOKSSA-N 1 0 452.002 3.954 20 30 JHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(CC(C)C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC001307038218 1069760426 /nfs/dbraw/zinc/76/04/26/1069760426.db2.gz CFCXPGVJBCKABM-OAQYLSRUSA-N 1 0 453.610 3.546 20 30 JHEDRO CCC[NH+]1CCC(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)CC1 ZINC001307043993 1069776841 /nfs/dbraw/zinc/77/68/41/1069776841.db2.gz NNVHAUVECBHUPW-UHFFFAOYSA-N 1 0 464.662 3.582 20 30 JHEDRO CCC[NH+]1CCC(Cn2c(COc3ccccc3OC)nnc2N2CCC(C#N)CC2)CC1 ZINC001307044135 1069777159 /nfs/dbraw/zinc/77/71/59/1069777159.db2.gz DGLZLUFKVNJVFZ-UHFFFAOYSA-N 1 0 452.603 3.728 20 30 JHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3nccn3CCCc3ccccc3)CC2)cc1 ZINC001312217366 1069788142 /nfs/dbraw/zinc/78/81/42/1069788142.db2.gz IJMHVFLDZLETGN-UHFFFAOYSA-N 1 0 456.594 3.805 20 30 JHEDRO CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC001314201154 1069794507 /nfs/dbraw/zinc/79/45/07/1069794507.db2.gz IYKCUDDKDGFALD-COPCDDAFSA-N 1 0 496.637 3.910 20 30 JHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N ZINC001307054859 1069817937 /nfs/dbraw/zinc/81/79/37/1069817937.db2.gz NSLFCJOCIQRRIV-RXVVDRJESA-N 1 0 472.037 3.864 20 30 JHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 ZINC001307054939 1069818183 /nfs/dbraw/zinc/81/81/83/1069818183.db2.gz MHZXQYKLDMKBBP-PKTZIBPZSA-N 1 0 463.630 3.576 20 30 JHEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 ZINC001312289724 1069840868 /nfs/dbraw/zinc/84/08/68/1069840868.db2.gz HNMLNPAEHUOBTN-VXKWHMMOSA-N 1 0 457.619 3.867 20 30 JHEDRO CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001314220142 1069865568 /nfs/dbraw/zinc/86/55/68/1069865568.db2.gz GZDGBGNEECICFI-QHCPKHFHSA-N 1 0 488.633 3.525 20 30 JHEDRO C=CCOc1ccc(C[N@@H+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C(C)(C)C)cc1 ZINC001307570828 1070057586 /nfs/dbraw/zinc/05/75/86/1070057586.db2.gz UUVBUOWWUHVXCS-UHFFFAOYSA-N 1 0 456.587 3.528 20 30 JHEDRO CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001314374624 1070213292 /nfs/dbraw/zinc/21/32/92/1070213292.db2.gz NBUVUKZPGZWDBG-QHCPKHFHSA-N 1 0 479.673 3.915 20 30 JHEDRO CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]([NH2+]CC(=O)NCc2ccc(C#N)cc2)C1 ZINC001307919420 1070241470 /nfs/dbraw/zinc/24/14/70/1070241470.db2.gz SZLHVFUCJIASDB-DHIUTWEWSA-N 1 0 466.557 3.696 20 30 JHEDRO CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314392442 1070248462 /nfs/dbraw/zinc/24/84/62/1070248462.db2.gz YQXKYPXNVLMMOL-OAQYLSRUSA-N 1 0 483.617 3.516 20 30 JHEDRO 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 ZINC001307939070 1070249900 /nfs/dbraw/zinc/24/99/00/1070249900.db2.gz PGSRVMSBDTURBR-UHIISALHSA-N 1 0 458.390 3.960 20 30 JHEDRO CC1(C)[C@@H](c2ccccc2F)CC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC001308008832 1070277712 /nfs/dbraw/zinc/27/77/12/1070277712.db2.gz RQGCCTDAQIJTGG-VWNXMTODSA-N 1 0 452.549 3.942 20 30 JHEDRO N#CCCn1cc(C[NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c(-c2ccncc2)n1 ZINC001308236897 1070344258 /nfs/dbraw/zinc/34/42/58/1070344258.db2.gz KIEGXYVDFXKJNS-QHCPKHFHSA-N 1 0 450.974 3.675 20 30 JHEDRO CN(C)c1ccc([C@@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)[NH+](C)C)cc1 ZINC001313410809 1070351628 /nfs/dbraw/zinc/35/16/28/1070351628.db2.gz FMMPBIRKWLAPQL-HSZRJFAPSA-N 1 0 453.562 3.619 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(CC#N)CC1 ZINC001313446841 1070364255 /nfs/dbraw/zinc/36/42/55/1070364255.db2.gz GKJWVSJYAIGTSU-NRFANRHFSA-N 1 0 452.603 3.967 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC001313448650 1070371785 /nfs/dbraw/zinc/37/17/85/1070371785.db2.gz SIEQTVOVMKJQGX-RXVVDRJESA-N 1 0 475.563 3.764 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001313448974 1070372888 /nfs/dbraw/zinc/37/28/88/1070372888.db2.gz DVCSKBIDWPOMKP-OHUGHZGNSA-N 1 0 489.640 3.709 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](CC)C1 ZINC001313453366 1070385307 /nfs/dbraw/zinc/38/53/07/1070385307.db2.gz QOXUAIBTBZEZAY-HJNYFJLDSA-N 1 0 452.603 3.607 20 30 JHEDRO CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+](C(C)C)C(C)C)CC1 ZINC001314504250 1070443318 /nfs/dbraw/zinc/44/33/18/1070443318.db2.gz DAUNYOCRSZFTMX-UHFFFAOYSA-N 1 0 486.686 3.729 20 30 JHEDRO CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001313478306 1070488558 /nfs/dbraw/zinc/48/85/58/1070488558.db2.gz RTGLASMCBGSDSO-JTHBVZDNSA-N 1 0 477.657 3.824 20 30 JHEDRO CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001314570827 1070576547 /nfs/dbraw/zinc/57/65/47/1070576547.db2.gz ZMFBRFZXIAJJEO-DLDYESNYSA-N 1 0 468.671 3.676 20 30 JHEDRO C[NH+](C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(O)(C(F)(F)F)CC2)CCCC1 ZINC001314652575 1070763473 /nfs/dbraw/zinc/76/34/73/1070763473.db2.gz HNIBNUSDBNGBQH-UHFFFAOYSA-N 1 0 462.520 3.585 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1)c1cccs1 ZINC001314656768 1070775602 /nfs/dbraw/zinc/77/56/02/1070775602.db2.gz SDGPJDRIMCRTKT-HXUWFJFHSA-N 1 0 478.670 3.824 20 30 JHEDRO CN(C)c1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)cn1 ZINC001314661699 1070787054 /nfs/dbraw/zinc/78/70/54/1070787054.db2.gz WTJRXTNFMVBNRY-UHFFFAOYSA-N 1 0 458.614 3.637 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001314666648 1070799600 /nfs/dbraw/zinc/79/96/00/1070799600.db2.gz UFJRYPCOKKSLMD-AREMUKBSSA-N 1 0 468.646 3.958 20 30 JHEDRO C[NH+](C)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 ZINC001314670370 1070811232 /nfs/dbraw/zinc/81/12/32/1070811232.db2.gz LBOZBHUAFLANME-QFIPXVFZSA-N 1 0 494.043 3.902 20 30 JHEDRO CN(C)CC[NH+]1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(C)(C)C)C2)CC1 ZINC001314671962 1070816056 /nfs/dbraw/zinc/81/60/56/1070816056.db2.gz ZCLWTMDSONMHAY-DEOSSOPVSA-N 1 0 463.674 3.963 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001313659271 1070862024 /nfs/dbraw/zinc/86/20/24/1070862024.db2.gz XMUDROIQNAPJNQ-INIZCTEOSA-N 1 0 474.535 3.936 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1)c1ccsc1 ZINC001313672856 1070905084 /nfs/dbraw/zinc/90/50/84/1070905084.db2.gz BNHPWXWAELQYPU-JOCHJYFZSA-N 1 0 466.611 3.710 20 30 JHEDRO CN(Cc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314754774 1071008134 /nfs/dbraw/zinc/00/81/34/1071008134.db2.gz LCNXIYDZGWMSLZ-JOCHJYFZSA-N 1 0 457.538 3.656 20 30 JHEDRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001313750424 1071081982 /nfs/dbraw/zinc/08/19/82/1071081982.db2.gz INTQSWHORWEVCK-OYRHEFFESA-N 1 0 460.630 3.945 20 30 JHEDRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001313750425 1071082160 /nfs/dbraw/zinc/08/21/60/1071082160.db2.gz INTQSWHORWEVCK-SFTDATJTSA-N 1 0 460.630 3.945 20 30 JHEDRO CCN(C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](C)C(C)C)C1)CC(F)(F)F ZINC001313787872 1071170701 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/nfs/dbraw/zinc/23/56/60/1071235660.db2.gz KJMZNKXJFCFMAS-UHFFFAOYSA-N 1 0 479.629 3.820 20 30 JHEDRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)ccc1OC ZINC001310246296 1071234037 /nfs/dbraw/zinc/23/40/37/1071234037.db2.gz HGKVDSLURJDILQ-DEOSSOPVSA-N 1 0 452.555 3.893 20 30 JHEDRO CC[N@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(c2cccc(F)c2C#N)CC1)C(C)C ZINC001313817776 1071266793 /nfs/dbraw/zinc/26/67/93/1071266793.db2.gz MZJHPAFUPUWYJM-UHFFFAOYSA-N 1 0 455.626 3.934 20 30 JHEDRO CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001314934495 1071381391 /nfs/dbraw/zinc/38/13/91/1071381391.db2.gz PHMPMPPTQDVEEO-IFMALSPDSA-N 1 0 477.657 3.680 20 30 JHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2cc(C)oc2C)C[C@H]1C ZINC001313868330 1071404488 /nfs/dbraw/zinc/40/44/88/1071404488.db2.gz NWQRTGZUTAQUFT-ZENTWMBTSA-N 1 0 462.598 3.853 20 30 JHEDRO CC[NH+]1CCC(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CNC(=O)C(C)C)C2)CC1 ZINC001313882177 1071457628 /nfs/dbraw/zinc/45/76/28/1071457628.db2.gz WWQSGTARWYDWPU-XMMPIXPASA-N 1 0 491.684 3.927 20 30 JHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313910602 1071535689 /nfs/dbraw/zinc/53/56/89/1071535689.db2.gz XIFMJGMZXACJGD-FGZHOGPDSA-N 1 0 479.629 3.795 20 30 JHEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@H](C)CC#N)CC1 ZINC001313922345 1071564319 /nfs/dbraw/zinc/56/43/19/1071564319.db2.gz WAAVAPPWPRFQHT-CVEARBPZSA-N 1 0 480.480 3.533 20 30 JHEDRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@](C)(C#N)C2)CC1 ZINC001313929969 1071588099 /nfs/dbraw/zinc/58/80/99/1071588099.db2.gz UMNNLURVSRCDJN-NBGIEHNGSA-N 1 0 470.065 3.678 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001313935419 1071606063 /nfs/dbraw/zinc/60/60/63/1071606063.db2.gz ZPRJCGWKVHZJTQ-DENIHFKCSA-N 1 0 479.629 3.747 20 30 JHEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001313949085 1071635248 /nfs/dbraw/zinc/63/52/48/1071635248.db2.gz HMZKURFOALDRQY-HXUWFJFHSA-N 1 0 493.059 3.775 20 30 JHEDRO CCN1CC[NH+](CCCCn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 ZINC001313954431 1071651715 /nfs/dbraw/zinc/65/17/15/1071651715.db2.gz QPRSKDVHVVNIKC-SANMLTNESA-N 1 0 467.637 3.556 20 30 JHEDRO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC001314028088 1071794279 /nfs/dbraw/zinc/79/42/79/1071794279.db2.gz PVECORUCBQRGTC-ZRCGQRJVSA-N 1 0 481.645 3.896 20 30 JHEDRO CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCOC1 ZINC001314100940 1071984819 /nfs/dbraw/zinc/98/48/19/1071984819.db2.gz OVGBCJVBNSLXGA-RXFWQSSRSA-N 1 0 466.630 3.800 20 30 JHEDRO CCc1nc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@]2([NH+](C)C)CCSC2)cs1 ZINC001306033966 1068437727 /nfs/dbraw/zinc/43/77/27/1068437727.db2.gz SRWAESAVDCPDTE-XMMPIXPASA-N 1 0 497.694 3.821 20 30 JHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCCOC)C1 ZINC001306320859 1068750290 /nfs/dbraw/zinc/75/02/90/1068750290.db2.gz YAQZZEYGNDLPOI-BJKOFHAPSA-N 1 0 466.630 3.713 20 30 JHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001306326502 1068764435 /nfs/dbraw/zinc/76/44/35/1068764435.db2.gz YPGAKUQTZHRMJI-IRLDBZIGSA-N 1 0 466.630 3.997 20 30 JHEDRO CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCCCC2)C[C@@H](C)O1 ZINC001306455858 1068979856 /nfs/dbraw/zinc/97/98/56/1068979856.db2.gz UHASCADOHIRWQH-IRLDBZIGSA-N 1 0 466.630 3.997 20 30 JHEDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001310521793 1068998299 /nfs/dbraw/zinc/99/82/99/1068998299.db2.gz ZEQTZPLYTWCIAQ-OXQOHEQNSA-N 1 0 453.909 3.746 20 30 JHEDRO CCOC(=O)c1c(NC(=O)NC[C@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c(C#N)cn1CC ZINC001310893332 1069212219 /nfs/dbraw/zinc/21/22/19/1069212219.db2.gz LLTSOOUNNJHOOV-HXUWFJFHSA-N 1 0 455.559 3.768 20 30 JHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC001310963669 1069235150 /nfs/dbraw/zinc/23/51/50/1069235150.db2.gz QTBUIXUJJFQTGW-JOCHJYFZSA-N 1 0 457.534 3.942 20 30 JHEDRO CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncccc2C)CC[N@@H+]1CCOC ZINC001306620300 1069305837 /nfs/dbraw/zinc/30/58/37/1069305837.db2.gz OKLIOHPKPFOIPV-HSZRJFAPSA-N 1 0 459.598 3.506 20 30 JHEDRO CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)(C)C)CC[N@@H+]1CCOC ZINC001306621317 1069309593 /nfs/dbraw/zinc/30/95/93/1069309593.db2.gz AKGYGKHRIIXTHS-QFIPXVFZSA-N 1 0 454.619 3.569 20 30 JHEDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)C2 ZINC001164617802 719007025 /nfs/dbraw/zinc/00/70/25/719007025.db2.gz PYRQMGIHLZHRLJ-FOIQADDNSA-N 1 0 473.351 3.954 20 30 JHEDRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1 ZINC001164614839 719020649 /nfs/dbraw/zinc/02/06/49/719020649.db2.gz GPXPJTROXVUWQJ-VFVAKGGASA-N 1 0 455.292 3.688 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)c(C#N)cc3C#N)CC2)c2ccccc21 ZINC001164680809 719668450 /nfs/dbraw/zinc/66/84/50/719668450.db2.gz HRGWOGLNZLXBLP-SFHVURJKSA-N 1 0 477.012 3.572 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc4c(cc3C#N)CCCC4)CC2)c2ccccc21 ZINC001164684387 719677110 /nfs/dbraw/zinc/67/71/10/719677110.db2.gz TYOMJLKUSJZZDI-JOCHJYFZSA-N 1 0 471.649 3.925 20 30 JHEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(SC)nc(Cl)c1C#N)CC2 ZINC001164712105 720093239 /nfs/dbraw/zinc/09/32/39/720093239.db2.gz VOBIJJPROGPROQ-QGZVFWFLSA-N 1 0 459.019 3.626 20 30 JHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1)C2 ZINC001164807887 720121922 /nfs/dbraw/zinc/12/19/22/720121922.db2.gz CTUKEYVYPASZNG-KOSHJBKYSA-N 1 0 455.965 3.992 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cnc(Cl)nc2Oc2ccc(C#N)cc2)CC1 ZINC001164825294 720353305 /nfs/dbraw/zinc/35/33/05/720353305.db2.gz JIWZKBRSFIHTCM-LEWJYISDSA-N 1 0 481.000 3.705 20 30 JHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc([C@H](C#N)c4ccccc4F)nn3)CC[C@@H]21 ZINC001164838517 720567260 /nfs/dbraw/zinc/56/72/60/720567260.db2.gz OFGNTJHWPUQZCH-GFMPLVLUSA-N 1 0 459.573 3.845 20 30 JHEDRO 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 ZINC001164842580 720568264 /nfs/dbraw/zinc/56/82/64/720568264.db2.gz YKKNNNKHUMCDBP-RJGXRXQPSA-N 1 0 479.701 3.671 20 30 JHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164749954 720813391 /nfs/dbraw/zinc/81/33/91/720813391.db2.gz UVLCLOMSLRBGIU-QQKQFIJSSA-N 1 0 457.557 3.730 20 30 JHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1F ZINC001164744063 720830672 /nfs/dbraw/zinc/83/06/72/720830672.db2.gz UBSQONUBVUDTDY-SFYKDHMMSA-N 1 0 492.990 3.779 20 30 JHEDRO N#CCc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164751301 720926876 /nfs/dbraw/zinc/92/68/76/720926876.db2.gz LDZAPCVAPQHJDH-DHLKQENFSA-N 1 0 452.002 3.951 20 30 JHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870828 721187254 /nfs/dbraw/zinc/18/72/54/721187254.db2.gz WINJPJJHLBMEQU-PZJWPPBQSA-N 1 0 462.941 3.669 20 30 JHEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4ccccc4C#N)C3)O2)CC1 ZINC001164887072 721450652 /nfs/dbraw/zinc/45/06/52/721450652.db2.gz IMHZAAMWMZGKSF-CJFMBICVSA-N 1 0 483.016 3.559 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc(C#N)c(Cl)n1)CC2 ZINC001164783855 721451252 /nfs/dbraw/zinc/45/12/52/721451252.db2.gz CSZWTJUOCHMKTE-IBGZPJMESA-N 1 0 468.976 3.885 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)ncc1C#N)CC2 ZINC001164788612 721460993 /nfs/dbraw/zinc/46/09/93/721460993.db2.gz URUFVXAUSXLYDI-LJQANCHMSA-N 1 0 468.976 3.885 20 30 JHEDRO COc1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c(C#N)c(Cl)n1 ZINC001164903814 721542570 /nfs/dbraw/zinc/54/25/70/721542570.db2.gz DAMAOJJBUHKNND-GDBMZVCRSA-N 1 0 452.864 3.641 20 30 JHEDRO CCOC(=O)c1cc(C)nc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1C#N ZINC001165022179 721839942 /nfs/dbraw/zinc/83/99/42/721839942.db2.gz QCHZQBAYEDBZBE-UHFFFAOYSA-N 1 0 452.555 3.556 20 30 JHEDRO Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC(C[NH+](C)C)CC2)cc1 ZINC001165044581 721948825 /nfs/dbraw/zinc/94/88/25/721948825.db2.gz FPZUQJRTFZSOLE-HSZRJFAPSA-N 1 0 463.607 3.755 20 30 JHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164984282 722102441 /nfs/dbraw/zinc/10/24/41/722102441.db2.gz SBROEIYUKBPFNQ-GNKBHMEESA-N 1 0 454.578 3.563 20 30 JHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164973039 722155437 /nfs/dbraw/zinc/15/54/37/722155437.db2.gz KJBOEUUFHYRDPH-NZQKXSOJSA-N 1 0 476.968 3.916 20 30 JHEDRO CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CC(F)(F)C2)CC[N@@H+]1CCOC ZINC001306622053 1069311360 /nfs/dbraw/zinc/31/13/60/1069311360.db2.gz GXNZXAXUADWYCH-OAQYLSRUSA-N 1 0 458.557 3.799 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001306680731 1069407625 /nfs/dbraw/zinc/40/76/25/1069407625.db2.gz DBCYVFRYLUYKEV-UHFFFAOYSA-N 1 0 479.032 3.924 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001306725269 1069466455 /nfs/dbraw/zinc/46/64/55/1069466455.db2.gz CDEBOFSKZMLUKX-QHCPKHFHSA-N 1 0 464.662 3.724 20 30 JHEDRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[N@H+](CCC)C2)C1 ZINC001306739460 1069511469 /nfs/dbraw/zinc/51/14/69/1069511469.db2.gz YYVIZKNDJHVWDT-VWNXMTODSA-N 1 0 477.657 3.681 20 30 JHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)CCc2ccc(I)cc2)CC1 ZINC001311891406 1069600497 /nfs/dbraw/zinc/60/04/97/1069600497.db2.gz LFADFXVOOFDTCN-MRXNPFEDSA-N 1 0 455.384 3.952 20 30 JHEDRO CCC[N@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cccs2)CC1 ZINC001306806828 1069620069 /nfs/dbraw/zinc/62/00/69/1069620069.db2.gz JCEZLQJIEXQMDZ-UHFFFAOYSA-N 1 0 463.655 3.932 20 30 JHEDRO CCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC2([NH+](C)C)CCCC2)cc1OC ZINC001314170128 1069679313 /nfs/dbraw/zinc/67/93/13/1069679313.db2.gz QCOLDEQIYABXNB-UHFFFAOYSA-N 1 0 452.603 3.967 20 30 JHEDRO CCC[NH+]1CCC(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC(C#N)CC2)CC1 ZINC001307046125 1069784043 /nfs/dbraw/zinc/78/40/43/1069784043.db2.gz JVWNOSNXEUQKGY-SZPZYZBQSA-N 1 0 485.677 3.911 20 30 JHEDRO CCOCCOc1cc(C)ccc1CNC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001312242131 1069803403 /nfs/dbraw/zinc/80/34/03/1069803403.db2.gz RTSYYYCVTXLRTE-UHFFFAOYSA-N 1 0 450.583 3.746 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 ZINC001307053382 1069811617 /nfs/dbraw/zinc/81/16/17/1069811617.db2.gz HPVMCCJVPUYCMV-CZTZKLFOSA-N 1 0 456.566 3.550 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001307055149 1069819927 /nfs/dbraw/zinc/81/99/27/1069819927.db2.gz OTQBRULLJWUDSR-IFMALSPDSA-N 1 0 450.635 3.649 20 30 JHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001307055152 1069820139 /nfs/dbraw/zinc/82/01/39/1069820139.db2.gz OTQBRULLJWUDSR-UNMCSNQZSA-N 1 0 450.635 3.649 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001307055151 1069820555 /nfs/dbraw/zinc/82/05/55/1069820555.db2.gz OTQBRULLJWUDSR-RBBKRZOGSA-N 1 0 450.635 3.649 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 ZINC001307057249 1069833179 /nfs/dbraw/zinc/83/31/79/1069833179.db2.gz XFDBLKCBNWSZAA-AQNXPRMDSA-N 1 0 456.566 3.550 20 30 JHEDRO CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCC[N@@H+]2CCC)CC1=O ZINC001307065069 1069869501 /nfs/dbraw/zinc/86/95/01/1069869501.db2.gz XEWNBIMHFFLYMS-QHCPKHFHSA-N 1 0 463.630 3.530 20 30 JHEDRO CCOC1CC(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)C1 ZINC001314237703 1069936050 /nfs/dbraw/zinc/93/60/50/1069936050.db2.gz FVZBGPGIHHWWRW-XIXYPUAESA-N 1 0 466.630 3.853 20 30 JHEDRO CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC001307499720 1070018008 /nfs/dbraw/zinc/01/80/08/1070018008.db2.gz NWEDLPRAZWAEBQ-LJQANCHMSA-N 1 0 452.521 3.673 20 30 JHEDRO COc1ccc(CCNC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)c(Cl)c1OC ZINC001312759038 1070108514 /nfs/dbraw/zinc/10/85/14/1070108514.db2.gz RSDKMLPKEXYFCE-UHFFFAOYSA-N 1 0 456.974 3.689 20 30 JHEDRO COC(=O)C[C@@](C)(NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)c1ccncc1 ZINC001307757967 1070169190 /nfs/dbraw/zinc/16/91/90/1070169190.db2.gz WHUSNIZWUCBHGC-RUZDIDTESA-N 1 0 451.571 3.883 20 30 JHEDRO C[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CN1C(=O)OC(C)(C)C ZINC001312948507 1070194233 /nfs/dbraw/zinc/19/42/33/1070194233.db2.gz WHGMJZRILKSYSJ-GCJKJVERSA-N 1 0 455.603 3.610 20 30 JHEDRO CCOC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001314417742 1070285012 /nfs/dbraw/zinc/28/50/12/1070285012.db2.gz FIQJEPYGOKHOJU-GMAHTHKFSA-N 1 0 466.630 3.571 20 30 JHEDRO Cc1cc(S(=O)(=O)NCC[NH2+]Cc2cccc(OCc3cccc(C#N)c3)c2)c(C)s1 ZINC001308337313 1070358678 /nfs/dbraw/zinc/35/86/78/1070358678.db2.gz OBPGVNYTNBLZKG-UHFFFAOYSA-N 1 0 455.605 3.884 20 30 JHEDRO CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+]Cc1cccc(OCc3ccccc3C#N)c1)CC2 ZINC001308375087 1070363826 /nfs/dbraw/zinc/36/38/26/1070363826.db2.gz WITJCBNRRZVRSX-OAQYLSRUSA-N 1 0 457.578 3.824 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1 ZINC001313448986 1070373039 /nfs/dbraw/zinc/37/30/39/1070373039.db2.gz DVCSKBIDWPOMKP-RNHFSVANSA-N 1 0 489.640 3.709 20 30 JHEDRO CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314490061 1070401632 /nfs/dbraw/zinc/40/16/32/1070401632.db2.gz IRICOECTWBZGRI-JTHBVZDNSA-N 1 0 466.630 3.856 20 30 JHEDRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2c(C)noc2C)C[C@@H]1CC ZINC001314495965 1070416382 /nfs/dbraw/zinc/41/63/82/1070416382.db2.gz MJVPAUYWTXOATO-QHCPKHFHSA-N 1 0 477.613 3.601 20 30 JHEDRO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001313471126 1070460350 /nfs/dbraw/zinc/46/03/50/1070460350.db2.gz BTCYUPIJSVRBOY-OAQYLSRUSA-N 1 0 477.657 3.680 20 30 JHEDRO CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001313479505 1070491766 /nfs/dbraw/zinc/49/17/66/1070491766.db2.gz VGGVRQYZJNQOOX-GMAHTHKFSA-N 1 0 477.657 3.824 20 30 JHEDRO CC[N@H+](C)Cc1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@](C)(C#N)C2)c1 ZINC001313574039 1070688861 /nfs/dbraw/zinc/68/88/61/1070688861.db2.gz JKCIXTNVJFAEST-AREMUKBSSA-N 1 0 460.630 3.770 20 30 JHEDRO CC[N@H+](CCC1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1)CC1CC1 ZINC001309342189 1070710583 /nfs/dbraw/zinc/71/05/83/1070710583.db2.gz CQUONLJFYZOICM-UHFFFAOYSA-N 1 0 454.434 3.843 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001314647446 1070749959 /nfs/dbraw/zinc/74/99/59/1070749959.db2.gz BJOXHPXLNDPDOA-VXKWHMMOSA-N 1 0 479.629 3.650 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1ccsc1 ZINC001314647744 1070750791 /nfs/dbraw/zinc/75/07/91/1070750791.db2.gz DCQXEMNFNPLSMY-JOCHJYFZSA-N 1 0 491.665 3.876 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1)c1cccs1 ZINC001314656767 1070775622 /nfs/dbraw/zinc/77/56/22/1070775622.db2.gz SDGPJDRIMCRTKT-FQEVSTJZSA-N 1 0 478.670 3.824 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1)c1cccs1 ZINC001314655311 1070772153 /nfs/dbraw/zinc/77/21/53/1070772153.db2.gz OSTDQFOWLDRCMY-PGRDOPGGSA-N 1 0 458.538 3.803 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 ZINC001314655823 1070773416 /nfs/dbraw/zinc/77/34/16/1070773416.db2.gz OATWJQAJURWSIR-PMACEKPBSA-N 1 0 457.003 3.615 20 30 JHEDRO C[NH+](C)[C@@]1(Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C)(C#N)CC2)CCSC1 ZINC001314658226 1070779047 /nfs/dbraw/zinc/77/90/47/1070779047.db2.gz VNOWFJBKSMKGJN-HSZRJFAPSA-N 1 0 458.607 3.564 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001313656940 1070853829 /nfs/dbraw/zinc/85/38/29/1070853829.db2.gz HVQQRZSTWKVVGP-OAQYLSRUSA-N 1 0 477.657 3.776 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 ZINC001313662187 1070870314 /nfs/dbraw/zinc/87/03/14/1070870314.db2.gz PFMBIZBRIKGDED-REWPJTCUSA-N 1 0 460.630 3.740 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001313664510 1070877410 /nfs/dbraw/zinc/87/74/10/1070877410.db2.gz NVEPBAVUCJNBPY-OAQYLSRUSA-N 1 0 487.656 3.690 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)c1ccsc1 ZINC001313666141 1070883509 /nfs/dbraw/zinc/88/35/09/1070883509.db2.gz ULWAXJWBVGITOQ-KNQAVFIVSA-N 1 0 493.685 3.923 20 30 JHEDRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)c2cc(C#N)ccc2C)cc1 ZINC001309748999 1070952478 /nfs/dbraw/zinc/95/24/78/1070952478.db2.gz CWTOLAOYRFJRMY-LOSJGSFVSA-N 1 0 461.587 3.822 20 30 JHEDRO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001309942704 1071024772 /nfs/dbraw/zinc/02/47/72/1071024772.db2.gz HFGFXTKWPTYQPA-DYXWJJEUSA-N 1 0 474.424 3.900 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 ZINC001313721788 1071025083 /nfs/dbraw/zinc/02/50/83/1071025083.db2.gz KEAOWQSIVCGHMW-LJQANCHMSA-N 1 0 489.624 3.847 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)C[C@@H](C)C#N ZINC001313723772 1071029732 /nfs/dbraw/zinc/02/97/32/1071029732.db2.gz MLZDJGRVSMIIMQ-RBUKOAKNSA-N 1 0 464.618 3.562 20 30 JHEDRO CN(Cc1ccsc1)c1nnc(COc2ccc(C#N)cc2)n1CC1([NH+](C)C)CCOCC1 ZINC001314769333 1071031535 /nfs/dbraw/zinc/03/15/35/1071031535.db2.gz KFSNQLZHJKPINZ-UHFFFAOYSA-N 1 0 466.611 3.537 20 30 JHEDRO CN(Cc1ncc(Cl)n1C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314772721 1071039750 /nfs/dbraw/zinc/03/97/50/1071039750.db2.gz BYRDZRYTFCFIEW-IBGZPJMESA-N 1 0 494.987 3.648 20 30 JHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)C(C)C ZINC001313805229 1071219002 /nfs/dbraw/zinc/21/90/02/1071219002.db2.gz ILBGXEIXPCVTIJ-UHFFFAOYSA-N 1 0 474.535 3.936 20 30 JHEDRO C[N@H+](CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1)C1CCCCC1 ZINC001314852405 1071226823 /nfs/dbraw/zinc/22/68/23/1071226823.db2.gz YZNNQALYKIOUQP-UHFFFAOYSA-N 1 0 466.630 3.592 20 30 JHEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001313807289 1071228229 /nfs/dbraw/zinc/22/82/29/1071228229.db2.gz JBLGBVUQXGUHCA-OAQYLSRUSA-N 1 0 479.629 3.795 20 30 JHEDRO CC[N@H+](CCn1c(-c2ccccc2Cl)nnc1N1CCN(c2ccc(C#N)cn2)CC1)C(C)C ZINC001313808412 1071232614 /nfs/dbraw/zinc/23/26/14/1071232614.db2.gz NEAIGVIETSJHRP-UHFFFAOYSA-N 1 0 479.032 3.922 20 30 JHEDRO CC[N@H+](CCn1c(-c2cccnc2)nnc1N1CCCN(c2ccccc2C#N)CC1)C(C)C ZINC001313810233 1071240514 /nfs/dbraw/zinc/24/05/14/1071240514.db2.gz MTTGPEQSHAQNOO-UHFFFAOYSA-N 1 0 458.614 3.659 20 30 JHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(C#N)o2)C[C@H]1C ZINC001313859190 1071362642 /nfs/dbraw/zinc/36/26/42/1071362642.db2.gz FLCYFHATRKRJMH-CVEARBPZSA-N 1 0 456.497 3.978 20 30 JHEDRO C[N@@H+]1CCN(CCn2c(-c3ccccc3Cl)nnc2N2CCC(C)(C#N)CC2)CC1(C)C ZINC001314932056 1071377904 /nfs/dbraw/zinc/37/79/04/1071377904.db2.gz XZCYKXVAUVJRBM-UHFFFAOYSA-N 1 0 456.038 3.755 20 30 JHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCCC(F)(F)F)C[C@H]1C ZINC001313873561 1071425800 /nfs/dbraw/zinc/42/58/00/1071425800.db2.gz DDAHYSSGNCCJFX-IAGOWNOFSA-N 1 0 450.509 3.990 20 30 JHEDRO CC[NH+]1CCC(CCn2c(COc3ccc(OC)cc3)nnc2N2CCC(C#N)CC2)CC1 ZINC001313881834 1071456792 /nfs/dbraw/zinc/45/67/92/1071456792.db2.gz OPPYGPXFAYWBIY-UHFFFAOYSA-N 1 0 452.603 3.728 20 30 JHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313895889 1071498599 /nfs/dbraw/zinc/49/85/99/1071498599.db2.gz LJVWHDVMXOVKSU-FGZHOGPDSA-N 1 0 479.629 3.795 20 30 JHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC001313899875 1071508703 /nfs/dbraw/zinc/50/87/03/1071508703.db2.gz KWLAAPXMQPVITJ-DHIUTWEWSA-N 1 0 452.603 3.529 20 30 JHEDRO 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CC(C)(C)OC(=O)N1CC(O)(C[N@H+](CCCOc2cccc(C#N)c2)Cc2ccccc2)C1 ZINC001308047347 1070291751 /nfs/dbraw/zinc/29/17/51/1070291751.db2.gz BQDBTMFYSKCQQW-UHFFFAOYSA-N 1 0 451.567 3.811 20 30 JHEDRO N#CCCn1cc(C[NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)c(-c2ccncc2)n1 ZINC001308236884 1070344307 /nfs/dbraw/zinc/34/43/07/1070344307.db2.gz KIEGXYVDFXKJNS-HSZRJFAPSA-N 1 0 450.974 3.675 20 30 JHEDRO CC[NH+](CC)[C@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)Cc1ccccc1 ZINC001309030486 1070496194 /nfs/dbraw/zinc/49/61/94/1070496194.db2.gz CDAARHQDOZJECJ-SFHVURJKSA-N 1 0 450.402 3.552 20 30 JHEDRO CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001314563574 1070566095 /nfs/dbraw/zinc/56/60/95/1070566095.db2.gz JSGVZELMHHMDTF-DLDYESNYSA-N 1 0 468.671 3.676 20 30 JHEDRO CCSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001314614584 1070683608 /nfs/dbraw/zinc/68/36/08/1070683608.db2.gz ZKPBPBBARYRSSM-HSZRJFAPSA-N 1 0 467.687 3.565 20 30 JHEDRO C[NH+](C)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCC(N)=O)CC2)CCCCC1 ZINC001314654193 1070768265 /nfs/dbraw/zinc/76/82/65/1070768265.db2.gz WVPDZEMDYGFTRB-UHFFFAOYSA-N 1 0 463.630 3.563 20 30 JHEDRO CN(C)CC[NH+]1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(Cl)=C(Cl)C2)CC1 ZINC001314670802 1070812809 /nfs/dbraw/zinc/81/28/09/1070812809.db2.gz PCRGWNRDZAGQFI-UHFFFAOYSA-N 1 0 488.467 3.990 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001313668046 1070890787 /nfs/dbraw/zinc/89/07/87/1070890787.db2.gz NWVNFHXSHYJZBJ-OALUTQOASA-N 1 0 493.578 3.532 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N)c1ccsc1 ZINC001313674374 1070911314 /nfs/dbraw/zinc/91/13/14/1070911314.db2.gz VTIUBOGVCQZKJS-LPHOPBHVSA-N 1 0 469.615 3.746 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1C(C)(C)C)c1ccco1 ZINC001313674463 1070912158 /nfs/dbraw/zinc/91/21/58/1070912158.db2.gz JWGFZLUDCQYZGV-OAQYLSRUSA-N 1 0 476.629 3.845 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)c1ccco1 ZINC001313678406 1070929070 /nfs/dbraw/zinc/92/90/70/1070929070.db2.gz OHHMUIDBWZYNTL-SFTDATJTSA-N 1 0 453.635 3.719 20 30 JHEDRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)CC2(C#N)CCCC2)cc1 ZINC001309749051 1070952499 /nfs/dbraw/zinc/95/24/99/1070952499.db2.gz GCPJBDOUZULZGB-BJKOFHAPSA-N 1 0 453.608 3.667 20 30 JHEDRO CC[NH+](CC)Cc1cccc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)c1 ZINC001313702460 1070984199 /nfs/dbraw/zinc/98/41/99/1070984199.db2.gz JASALSWRZJNWSO-JOCHJYFZSA-N 1 0 450.612 3.549 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 ZINC001313721150 1071023383 /nfs/dbraw/zinc/02/33/83/1071023383.db2.gz HCSIMHDPABYRAY-IFMALSPDSA-N 1 0 466.630 3.569 20 30 JHEDRO CN(CCC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314842734 1071193430 /nfs/dbraw/zinc/19/34/30/1071193430.db2.gz XTKJNRSBRKSDGP-XMMPIXPASA-N 1 0 454.644 3.507 20 30 JHEDRO CN(CCCNC(=O)C1CCC1)c1nnc(-c2ccc(C#N)cc2)n1CC1([NH+](C)C)CCCCC1 ZINC001314858076 1071242309 /nfs/dbraw/zinc/24/23/09/1071242309.db2.gz WMAMCCPPZNIITM-UHFFFAOYSA-N 1 0 477.657 3.824 20 30 JHEDRO C[N@H+](CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1)C1CCCC1 ZINC001314864504 1071263100 /nfs/dbraw/zinc/26/31/00/1071263100.db2.gz BIONEQJYHXQVQF-CLOONOSVSA-N 1 0 489.640 3.709 20 30 JHEDRO CC[N@H+](CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)C(C)C ZINC001313820771 1071279593 /nfs/dbraw/zinc/27/95/93/1071279593.db2.gz KWDPYMWMWOTXPB-UHFFFAOYSA-N 1 0 493.059 3.846 20 30 JHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2Cl)C[C@H]1C ZINC001313864954 1071389365 /nfs/dbraw/zinc/38/93/65/1071389365.db2.gz ZSRQEXCQUVTVBW-MSOLQXFVSA-N 1 0 465.989 3.863 20 30 JHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2cc(C)oc2C)C[C@H]1C ZINC001313868327 1071404329 /nfs/dbraw/zinc/40/43/29/1071404329.db2.gz NWQRTGZUTAQUFT-FIAZIHOUSA-N 1 0 462.598 3.853 20 30 JHEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001313922504 1071564218 /nfs/dbraw/zinc/56/42/18/1071564218.db2.gz WTRXMHHYLHNROM-JTHBVZDNSA-N 1 0 488.684 3.975 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313932957 1071597211 /nfs/dbraw/zinc/59/72/11/1071597211.db2.gz NAZAYAXUCITMAO-KRWDZBQOSA-N 1 0 485.514 3.840 20 30 JHEDRO CC[NH+]1CCN(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(CC#N)CC2)CC1 ZINC001313961226 1071672155 /nfs/dbraw/zinc/67/21/55/1071672155.db2.gz RQTDMGKXQDEQMF-OAQYLSRUSA-N 1 0 483.636 3.715 20 30 JHEDRO CCn1nc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H](CC(C)C)[NH+](C)C)c2ccccc2c1=O ZINC001313962927 1071676484 /nfs/dbraw/zinc/67/64/84/1071676484.db2.gz QIDLNYARYRBPSR-OAQYLSRUSA-N 1 0 490.656 3.781 20 30 JHEDRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccsc1)[NH+](CC)CC ZINC001306244690 1068649233 /nfs/dbraw/zinc/64/92/33/1068649233.db2.gz CTFVASCGUGQVCZ-FCHUYYIVSA-N 1 0 477.638 3.676 20 30 JHEDRO CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001306455367 1068978508 /nfs/dbraw/zinc/97/85/08/1068978508.db2.gz ZFTZTXOSCQKVTN-PKTZIBPZSA-N 1 0 466.630 3.712 20 30 JHEDRO 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 ZINC001310557086 1069016117 /nfs/dbraw/zinc/01/61/17/1069016117.db2.gz MTRQNEIHZGEQAT-LWYYNNOASA-N 1 0 454.596 3.888 20 30 JHEDRO CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001306546446 1069203991 /nfs/dbraw/zinc/20/39/91/1069203991.db2.gz BRGHQZTXJWENEL-FQEVSTJZSA-N 1 0 465.646 3.680 20 30 JHEDRO CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@H](c3cccc(C#N)c3)C(F)(F)F)cc2)CC1 ZINC001311144476 1069283557 /nfs/dbraw/zinc/28/35/57/1069283557.db2.gz IFQVSDKGJCPGFN-JOCHJYFZSA-N 1 0 459.516 3.799 20 30 JHEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(-c3ccncc3)ccc1C#N)CC2 ZINC001164714076 720138096 /nfs/dbraw/zinc/13/80/96/720138096.db2.gz VYVOTRITMQWPPO-DEOSSOPVSA-N 1 0 454.578 3.918 20 30 JHEDRO 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COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccnc(Cl)c1C#N)CC2 ZINC001164785293 721452127 /nfs/dbraw/zinc/45/21/27/721452127.db2.gz IHDUOCZRWMUNNV-GOSISDBHSA-N 1 0 468.976 3.885 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(C#N)cnc3cnc(Cl)cc31)CC2 ZINC001164786620 721453450 /nfs/dbraw/zinc/45/34/50/721453450.db2.gz NGPVAXZKWNWLOZ-HXUWFJFHSA-N 1 0 470.017 3.889 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)cc(Cl)c1C#N)CC2 ZINC001164786317 721471277 /nfs/dbraw/zinc/47/12/77/721471277.db2.gz AUEFKEKEZCTUFV-QGZVFWFLSA-N 1 0 453.414 3.994 20 30 JHEDRO COc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c(C#N)c(Cl)n1 ZINC001164903821 721542698 /nfs/dbraw/zinc/54/26/98/721542698.db2.gz DAMAOJJBUHKNND-ZBFHGGJFSA-N 1 0 452.864 3.641 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165017809 721807454 /nfs/dbraw/zinc/80/74/54/721807454.db2.gz ASTJUFZPZGEIMG-ZLGUVYLKSA-N 1 0 453.974 3.915 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938954 721923475 /nfs/dbraw/zinc/92/34/75/721923475.db2.gz DFOFMFAZECFLIB-UHFFFAOYSA-N 1 0 468.985 3.963 20 30 JHEDRO Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N(C)CC2CC[NH+](C)CC2)cc1 ZINC001165043174 721936483 /nfs/dbraw/zinc/93/64/83/721936483.db2.gz PJCQBIUKWXZRRA-QHCPKHFHSA-N 1 0 463.607 3.755 20 30 JHEDRO N#CCc1ccc(OCc2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nc2)cc1 ZINC001164977036 722144143 /nfs/dbraw/zinc/14/41/43/722144143.db2.gz HYJBOYUQPPPJIM-BDYUSTAISA-N 1 0 469.589 3.849 20 30 JHEDRO CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)CCO1 ZINC001306623092 1069314067 /nfs/dbraw/zinc/31/40/67/1069314067.db2.gz POENZOTUZBWJCB-LOSJGSFVSA-N 1 0 480.657 3.959 20 30 JHEDRO CCCCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001306658642 1069374530 /nfs/dbraw/zinc/37/45/30/1069374530.db2.gz UELCGJZNSPWUDJ-NRFANRHFSA-N 1 0 477.657 3.824 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 ZINC001306683325 1069416541 /nfs/dbraw/zinc/41/65/41/1069416541.db2.gz WTTBANXMPPCGGN-UHFFFAOYSA-N 1 0 477.657 3.778 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)c2nccs2)CC1 ZINC001306682365 1069413128 /nfs/dbraw/zinc/41/31/28/1069413128.db2.gz FELVAMYMTNZCMM-HXUWFJFHSA-N 1 0 478.670 3.888 20 30 JHEDRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC[N@H+](CCC)C2)C1 ZINC001306739458 1069511551 /nfs/dbraw/zinc/51/15/51/1069511551.db2.gz YYVIZKNDJHVWDT-LADGPHEKSA-N 1 0 477.657 3.681 20 30 JHEDRO N#Cc1ccccc1N1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001311993199 1069655527 /nfs/dbraw/zinc/65/55/27/1069655527.db2.gz FVMMBOXPKGIJSM-NRFANRHFSA-N 1 0 457.500 3.683 20 30 JHEDRO C=CC[NH+](CC=C)[C@H](CNc1ncnc2c1ncn2C1CN(C(=O)OC(C)(C)C)C1)C(C)C ZINC001306925544 1069683938 /nfs/dbraw/zinc/68/39/38/1069683938.db2.gz QXMOLPLIDJUZNM-LJQANCHMSA-N 1 0 455.607 3.729 20 30 JHEDRO CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC001314176689 1069706315 /nfs/dbraw/zinc/70/63/15/1069706315.db2.gz KIEFNZIVRPTACX-YADARESESA-N 1 0 458.582 3.771 20 30 JHEDRO CCC[NH+]1CCC(Cn2c(COCC)nnc2N2CCC(Oc3cccc(C#N)c3)CC2)CC1 ZINC001307043746 1069775268 /nfs/dbraw/zinc/77/52/68/1069775268.db2.gz AIKXFXJJLRCZQS-UHFFFAOYSA-N 1 0 466.630 3.856 20 30 JHEDRO CCc1ccc([C@H](CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[NH+](CC)CC)cc1 ZINC001312469596 1069956747 /nfs/dbraw/zinc/95/67/47/1069956747.db2.gz LYKNFYRBHAEVSV-FSSWDIPSSA-N 1 0 457.619 3.690 20 30 JHEDRO C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC001312485139 1069964364 /nfs/dbraw/zinc/96/43/64/1069964364.db2.gz IFZRODIRSDFWLU-NIJXNBFTSA-N 1 0 459.594 3.748 20 30 JHEDRO COc1ccc(C[N@H+](CCO)CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(OC)c1 ZINC001307459737 1069997299 /nfs/dbraw/zinc/99/72/99/1069997299.db2.gz UIKCOPVEYJMEFN-MRXNPFEDSA-N 1 0 457.596 3.585 20 30 JHEDRO COc1cc(OC)cc(N2CCC[N@H+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 ZINC001307580401 1070062553 /nfs/dbraw/zinc/06/25/53/1070062553.db2.gz DEWXEFJSXMWZEO-UHFFFAOYSA-N 1 0 454.596 3.667 20 30 JHEDRO CSc1ccc([C@H](C)[NH2+]CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 ZINC001307725700 1070150299 /nfs/dbraw/zinc/15/02/99/1070150299.db2.gz XMPHGFUBEFYWEU-INIZCTEOSA-N 1 0 451.552 3.528 20 30 JHEDRO C#C[C@H]1CCCN(C(=O)NCC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC001312850976 1070155246 /nfs/dbraw/zinc/15/52/46/1070155246.db2.gz IGUCPYZSZNXACI-NRFANRHFSA-N 1 0 454.615 3.601 20 30 JHEDRO C#C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccc(Cl)cc1 ZINC001312938752 1070190252 /nfs/dbraw/zinc/19/02/52/1070190252.db2.gz UHRSSJLTUMVGCD-OFNKIYASSA-N 1 0 452.002 3.653 20 30 JHEDRO CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1([NH+](C)C)CCCCC1 ZINC001314376370 1070216353 /nfs/dbraw/zinc/21/63/53/1070216353.db2.gz YWVJCQUHTOBYIN-UHFFFAOYSA-N 1 0 465.646 3.667 20 30 JHEDRO Cc1nsc(N2CCN(C(=O)N[C@H]3CCCCC[N@H+](Cc4ccccc4)C3)CC2)c1C#N ZINC001313138483 1070266469 /nfs/dbraw/zinc/26/64/69/1070266469.db2.gz JFLCGNIXEYLLPW-NRFANRHFSA-N 1 0 452.628 3.600 20 30 JHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001313141525 1070267066 /nfs/dbraw/zinc/26/70/66/1070267066.db2.gz YWPNOYHAMYGBFI-RDPSFJRHSA-N 1 0 459.594 3.686 20 30 JHEDRO CN(C)c1ccc([C@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)[NH+](C)C)cc1 ZINC001313410810 1070351340 /nfs/dbraw/zinc/35/13/40/1070351340.db2.gz FMMPBIRKWLAPQL-QHCPKHFHSA-N 1 0 453.562 3.619 20 30 JHEDRO CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC(C)(C)[NH+]2CCCCC2)c2ccccc2c1=O ZINC001313453883 1070387715 /nfs/dbraw/zinc/38/77/15/1070387715.db2.gz XYWGSGZDNSSXTM-FQEVSTJZSA-N 1 0 490.656 3.925 20 30 JHEDRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314517811 1070495678 /nfs/dbraw/zinc/49/56/78/1070495678.db2.gz OFVVEEQWKKZDLZ-OHUGHZGNSA-N 1 0 486.686 3.587 20 30 JHEDRO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCc2cccc(OCC#N)c2)cc1 ZINC001309182573 1070589479 /nfs/dbraw/zinc/58/94/79/1070589479.db2.gz RMKSJIVFEJZKEJ-RRPNLBNLSA-N 1 0 475.614 3.985 20 30 JHEDRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001313543005 1070639186 /nfs/dbraw/zinc/63/91/86/1070639186.db2.gz HLUYXIGJOPSGMS-HXUWFJFHSA-N 1 0 493.656 3.994 20 30 JHEDRO CC[N@H+](C)Cc1cccc(Cn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)c1 ZINC001313573779 1070688221 /nfs/dbraw/zinc/68/82/21/1070688221.db2.gz HJHBDKDLDGMHOL-UHFFFAOYSA-N 1 0 472.641 3.669 20 30 JHEDRO CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001314629014 1070725367 /nfs/dbraw/zinc/72/53/67/1070725367.db2.gz TWJIVNDJZUCMAR-HSZRJFAPSA-N 1 0 477.657 3.632 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1)c1cccs1 ZINC001314651393 1070761394 /nfs/dbraw/zinc/76/13/94/1070761394.db2.gz BKCDTMSZMIPIFO-CVDCTZTESA-N 1 0 465.558 3.535 20 30 JHEDRO C[NH+](C)C1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CCOCC1 ZINC001314661071 1070785835 /nfs/dbraw/zinc/78/58/35/1070785835.db2.gz ZWZOVOHDACTAFD-QHCPKHFHSA-N 1 0 457.022 3.763 20 30 JHEDRO C[NH+](C)CCOCCn1c(-c2ccc(F)cc2Br)nnc1N1CCC(C)(C#N)CC1 ZINC001314670364 1070811092 /nfs/dbraw/zinc/81/10/92/1070811092.db2.gz KYBNVIFUXOHZJW-UHFFFAOYSA-N 1 0 479.398 3.555 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001313658437 1070859859 /nfs/dbraw/zinc/85/98/59/1070859859.db2.gz ABYGQNICIDYOSV-AJSBUHFISA-N 1 0 493.656 3.850 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccsc1 ZINC001313666147 1070883377 /nfs/dbraw/zinc/88/33/77/1070883377.db2.gz ULWAXJWBVGITOQ-UGKGYDQZSA-N 1 0 493.685 3.923 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001313668048 1070890816 /nfs/dbraw/zinc/89/08/16/1070890816.db2.gz NWVNFHXSHYJZBJ-RTBURBONSA-N 1 0 493.578 3.532 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1)c1ccsc1 ZINC001313676193 1070920317 /nfs/dbraw/zinc/92/03/17/1070920317.db2.gz XIVUACLBPKZHAK-PGRDOPGGSA-N 1 0 477.638 3.628 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)c1ccco1 ZINC001313678401 1070929101 /nfs/dbraw/zinc/92/91/01/1070929101.db2.gz OHHMUIDBWZYNTL-LEWJYISDSA-N 1 0 453.635 3.719 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1)c1ccco1 ZINC001313678405 1070929125 /nfs/dbraw/zinc/92/91/25/1070929125.db2.gz OHHMUIDBWZYNTL-RTWAWAEBSA-N 1 0 453.635 3.719 20 30 JHEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2=CCCCC2)CC1 ZINC001313698970 1070972482 /nfs/dbraw/zinc/97/24/82/1070972482.db2.gz GMBONHIUOGXGTB-UHFFFAOYSA-N 1 0 475.641 3.698 20 30 JHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2)C1 ZINC001313709589 1071002861 /nfs/dbraw/zinc/00/28/61/1071002861.db2.gz OESFFIWOCHJSJE-NHCUHLMSSA-N 1 0 454.644 3.650 20 30 JHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2)C1 ZINC001313709591 1071003027 /nfs/dbraw/zinc/00/30/27/1071003027.db2.gz OESFFIWOCHJSJE-SFTDATJTSA-N 1 0 454.644 3.650 20 30 JHEDRO CC[NH+](CC)CCOCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@H](C#N)C1 ZINC001313720922 1071022029 /nfs/dbraw/zinc/02/20/29/1071022029.db2.gz UZOYWXNAGNVVBT-QGZVFWFLSA-N 1 0 489.045 3.900 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001313724093 1071030033 /nfs/dbraw/zinc/03/00/33/1071030033.db2.gz NCUMRXHVZFVDNW-JOCHJYFZSA-N 1 0 472.641 3.501 20 30 JHEDRO CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001313784359 1071154831 /nfs/dbraw/zinc/15/48/31/1071154831.db2.gz VZBZZKZTGJKGLB-IMSXRSKXSA-N 1 0 466.630 3.854 20 30 JHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCOC2)C1)CCC(F)(F)F ZINC001313805673 1071221471 /nfs/dbraw/zinc/22/14/71/1071221471.db2.gz NLVBKWKWKZFWPF-JOCHJYFZSA-N 1 0 462.520 3.708 20 30 JHEDRO C[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC001314858793 1071245609 /nfs/dbraw/zinc/24/56/09/1071245609.db2.gz QEQHYHASXPAJAG-FQEVSTJZSA-N 1 0 462.520 3.849 20 30 JHEDRO CC[N@H+](CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1)CCC(F)(F)F ZINC001313818306 1071268170 /nfs/dbraw/zinc/26/81/70/1071268170.db2.gz VDSHFFJBRDYAMJ-HXUWFJFHSA-N 1 0 478.519 3.805 20 30 JHEDRO Cn1cc(Br)cc1-c1nnc(N2CCC(C#N)CC2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314895405 1071328222 /nfs/dbraw/zinc/32/82/22/1071328222.db2.gz ONAWPGFONCRIQG-UHFFFAOYSA-N 1 0 474.451 3.908 20 30 JHEDRO Cn1cc(C[N@@H+]2CCCN(c3nnc(-c4cccc(C#N)c4)n3CCCC(F)(F)F)CC2)cn1 ZINC001314905019 1071343633 /nfs/dbraw/zinc/34/36/33/1071343633.db2.gz JWCDZNNQACANKR-UHFFFAOYSA-N 1 0 472.519 3.605 20 30 JHEDRO C[N@@H+]1CCN(CCn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@](C)(C#N)C2)CC1(C)C ZINC001314930462 1071373669 /nfs/dbraw/zinc/37/36/69/1071373669.db2.gz FVFYINFDGAFMMP-XMMPIXPASA-N 1 0 456.038 3.755 20 30 JHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccc(C#N)o2)C[C@H]1C ZINC001313868087 1071402588 /nfs/dbraw/zinc/40/25/88/1071402588.db2.gz LXTFRXPNNDHOMD-RTBURBONSA-N 1 0 497.644 3.824 20 30 JHEDRO CC[NH+]1CCC(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cscn2)CC1 ZINC001313881227 1071454330 /nfs/dbraw/zinc/45/43/30/1071454330.db2.gz HZSMRHPLZMGDNS-UHFFFAOYSA-N 1 0 465.627 3.944 20 30 JHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001313891914 1071486302 /nfs/dbraw/zinc/48/63/02/1071486302.db2.gz ALNWJFSQPDHLKH-UWJYYQICSA-N 1 0 460.424 3.660 20 30 JHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@H](C#N)C1 ZINC001313908361 1071530433 /nfs/dbraw/zinc/53/04/33/1071530433.db2.gz MZGKJIUOJFFRJZ-RBUKOAKNSA-N 1 0 473.419 3.619 20 30 JHEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(CC#N)CC2)CC1 ZINC001313921976 1071563080 /nfs/dbraw/zinc/56/30/80/1071563080.db2.gz UOWZZOKNWWQHCQ-LJQANCHMSA-N 1 0 487.599 3.703 20 30 JHEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@@H](C)CC#N)CC1 ZINC001313922348 1071564470 /nfs/dbraw/zinc/56/44/70/1071564470.db2.gz WAAVAPPWPRFQHT-JKSUJKDBSA-N 1 0 480.480 3.533 20 30 JHEDRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@H](C)CC#N)CC1 ZINC001313926995 1071578804 /nfs/dbraw/zinc/57/88/04/1071578804.db2.gz GXWWSBIXEIIFOH-YADHBBJMSA-N 1 0 481.689 3.919 20 30 JHEDRO CC[NH+]1CCN(c2ccc(Cn3c(CC(C)(C)C)nnc3N3CCC[C@](C)(C#N)C3)cn2)CC1 ZINC001313931170 1071590784 /nfs/dbraw/zinc/59/07/84/1071590784.db2.gz BEGHRLDUGONIHL-AREMUKBSSA-N 1 0 464.662 3.582 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OCC(F)(F)F)C[C@H]1C ZINC001313932753 1071596460 /nfs/dbraw/zinc/59/64/60/1071596460.db2.gz LTRVNFVWCNBMDJ-QGZVFWFLSA-N 1 0 485.514 3.732 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccc(OCC(F)(F)F)nc2)C[C@@H]1C ZINC001313937121 1071610120 /nfs/dbraw/zinc/61/01/20/1071610120.db2.gz SVTWFGYGSBEODF-SFHVURJKSA-N 1 0 499.541 3.926 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ccc(C#N)o2)C[C@H]1C ZINC001313937477 1071610884 /nfs/dbraw/zinc/61/08/84/1071610884.db2.gz VAJULUXBSFJRCI-CQSZACIVSA-N 1 0 473.350 3.890 20 30 JHEDRO CC[NH+]1CCN(CCCn2c(CSc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)CC1 ZINC001313959480 1071666782 /nfs/dbraw/zinc/66/67/82/1071666782.db2.gz UKWALSQBJUBKCJ-UHFFFAOYSA-N 1 0 488.105 3.991 20 30 JHEDRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001314012874 1071749172 /nfs/dbraw/zinc/74/91/72/1071749172.db2.gz AKQGZSQFQCGNOU-JOCHJYFZSA-N 1 0 493.656 3.994 20 30 JHEDRO CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2cccc(C[NH+](CC)CC)c2)CCOC1 ZINC001314120038 1072021888 /nfs/dbraw/zinc/02/18/88/1072021888.db2.gz JNRDILFMWFNZPC-SXOMAYOGSA-N 1 0 480.657 3.950 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N ZINC001306319232 1068743887 /nfs/dbraw/zinc/74/38/87/1068743887.db2.gz RLIQIBIDPIPOFP-FUHWJXTLSA-N 1 0 462.440 3.906 20 30 JHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001306320282 1068748898 /nfs/dbraw/zinc/74/88/98/1068748898.db2.gz SQIGZYKTYBZLCT-ZEQRLZLVSA-N 1 0 466.630 3.711 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001306320280 1068749034 /nfs/dbraw/zinc/74/90/34/1068749034.db2.gz SQIGZYKTYBZLCT-DNQXCXABSA-N 1 0 466.630 3.711 20 30 JHEDRO CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2sccc2C)CC[N@@H+]1CCOC ZINC001306408321 1068885034 /nfs/dbraw/zinc/88/50/34/1068885034.db2.gz ALDKODQQQUJWIR-QFIPXVFZSA-N 1 0 464.639 3.976 20 30 JHEDRO CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc(C)c2)CC[N@@H+]1CCOC ZINC001306408644 1068886549 /nfs/dbraw/zinc/88/65/49/1068886549.db2.gz CMJQQWBQXYQGHB-JOCHJYFZSA-N 1 0 450.612 3.782 20 30 JHEDRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001306500304 1069057922 /nfs/dbraw/zinc/05/79/22/1069057922.db2.gz YLOSXWCWIKHXHY-BJKOFHAPSA-N 1 0 477.657 3.822 20 30 JHEDRO CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCCCC2)C1 ZINC001306517815 1069129112 /nfs/dbraw/zinc/12/91/12/1069129112.db2.gz IPFNMZCFNUUDOM-HSZRJFAPSA-N 1 0 477.657 3.825 20 30 JHEDRO C[NH+]1CCN(Cc2cccc(CNC(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)c2)CC1 ZINC001310832225 1069183726 /nfs/dbraw/zinc/18/37/26/1069183726.db2.gz VDLIZZOWBSPMSD-UHFFFAOYSA-N 1 0 456.550 3.815 20 30 JHEDRO CCCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)o1 ZINC001306612619 1069291199 /nfs/dbraw/zinc/29/11/99/1069291199.db2.gz LXZMPGUAYRYVFY-SFHVURJKSA-N 1 0 463.586 3.556 20 30 JHEDRO CSc1nc(Cl)c(C#N)c(N2CCC3(C[C@@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680291 719655612 /nfs/dbraw/zinc/65/56/12/719655612.db2.gz DYXABSWUDYUSRN-QGZVFWFLSA-N 1 0 499.084 3.817 20 30 JHEDRO Cc1ccc2nc(N3CCCn4c(=O)cc(C[N@@H+](C)C(C)C)nc4C3)c(C#N)c(Cl)c2c1 ZINC001164816700 720247122 /nfs/dbraw/zinc/24/71/22/720247122.db2.gz LOWOYSKAMLLRES-UHFFFAOYSA-N 1 0 450.974 3.876 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)CC1 ZINC001164823847 720321054 /nfs/dbraw/zinc/32/10/54/720321054.db2.gz BJZXEGGETOOYND-VXKWHMMOSA-N 1 0 482.991 3.719 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cnc(Cl)nc2Oc2cccc(C#N)c2)CC1 ZINC001164831587 720353020 /nfs/dbraw/zinc/35/30/20/720353020.db2.gz YVVDUHSSJVDVBS-LEWJYISDSA-N 1 0 481.000 3.705 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N([C@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001164735292 720545638 /nfs/dbraw/zinc/54/56/38/720545638.db2.gz OBCPTLFHDYRQMW-OAHLLOKOSA-N 1 0 470.948 3.844 20 30 JHEDRO N#Cc1cnc(Cl)cc1C(F)(F)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844298 720742509 /nfs/dbraw/zinc/74/25/09/720742509.db2.gz OWBREWCFCGKOIV-UHFFFAOYSA-N 1 0 455.900 3.509 20 30 JHEDRO N#Cc1cc(C(F)(F)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)cnc1Cl ZINC001164843979 720742704 /nfs/dbraw/zinc/74/27/04/720742704.db2.gz NIYINMMQWYLTKG-UHFFFAOYSA-N 1 0 455.900 3.509 20 30 JHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164744732 720858134 /nfs/dbraw/zinc/85/81/34/720858134.db2.gz CFYPOSWUZHAFAI-TUNNFDKTSA-N 1 0 490.999 3.765 20 30 JHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745421 720860450 /nfs/dbraw/zinc/86/04/50/720860450.db2.gz DLFOIPOQYQXTJR-AQOAWAETSA-N 1 0 465.964 3.870 20 30 JHEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc5cc(F)ccc5c(Cl)c4C#N)C3)O2)CC1 ZINC001164890028 721452536 /nfs/dbraw/zinc/45/25/36/721452536.db2.gz QDHOEYRWZLOISP-KOSHJBKYSA-N 1 0 457.981 3.664 20 30 JHEDRO CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164912182 721732063 /nfs/dbraw/zinc/73/20/63/721732063.db2.gz MJVYQRXNDRITBW-YADARESESA-N 1 0 484.551 3.558 20 30 JHEDRO CC[NH+](CC)C1CCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccccc2)CC1 ZINC001165053338 722005723 /nfs/dbraw/zinc/00/57/23/722005723.db2.gz NPUZWKAORDFVPC-QHCPKHFHSA-N 1 0 463.607 3.979 20 30 JHEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995569 722211232 /nfs/dbraw/zinc/21/12/32/722211232.db2.gz JSIBSPOFRHBSGI-NLFFAJNJSA-N 1 0 451.546 3.809 20 30 JHEDRO CCOc1ccc(CCNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)cc1OCC ZINC001311416739 1069367151 /nfs/dbraw/zinc/36/71/51/1069367151.db2.gz LEILKIPNTWIIKZ-UHFFFAOYSA-N 1 0 450.583 3.862 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 ZINC001306724060 1069464619 /nfs/dbraw/zinc/46/46/19/1069464619.db2.gz XPSCBOHWUOHOJV-QHCPKHFHSA-N 1 0 463.630 3.563 20 30 JHEDRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[N@H+](CCC)C2)C1 ZINC001306737286 1069506274 /nfs/dbraw/zinc/50/62/74/1069506274.db2.gz OAIARHJSABFZTL-VWNXMTODSA-N 1 0 477.657 3.681 20 30 JHEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CSCCS2)C1 ZINC001306788566 1069594361 /nfs/dbraw/zinc/59/43/61/1069594361.db2.gz KYYWBGZRCPLAHR-IRLDBZIGSA-N 1 0 486.711 3.745 20 30 JHEDRO CCCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001306799583 1069604900 /nfs/dbraw/zinc/60/49/00/1069604900.db2.gz PLOMRNDNIWINFE-BGYRXZFFSA-N 1 0 454.619 3.853 20 30 JHEDRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001314194202 1069763111 /nfs/dbraw/zinc/76/31/11/1069763111.db2.gz QSZMTDSQHJUHMF-PXDATVDWSA-N 1 0 496.656 3.914 20 30 JHEDRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(Br)cc3)nnc2N(C)C[C@H](C)C#N)C1 ZINC001307046865 1069786655 /nfs/dbraw/zinc/78/66/55/1069786655.db2.gz SCKGLCMDTFFHGJ-MSOLQXFVSA-N 1 0 475.435 3.947 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 ZINC001307054937 1069818548 /nfs/dbraw/zinc/81/85/48/1069818548.db2.gz MHZXQYKLDMKBBP-DHIUTWEWSA-N 1 0 463.630 3.576 20 30 JHEDRO CCOc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314218208 1069858085 /nfs/dbraw/zinc/85/80/85/1069858085.db2.gz SWZYPRKCBFGJOR-FQEVSTJZSA-N 1 0 464.570 3.892 20 30 JHEDRO CCOC1CC(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)C1 ZINC001314237701 1069936165 /nfs/dbraw/zinc/93/61/65/1069936165.db2.gz FVZBGPGIHHWWRW-JDJBWLAASA-N 1 0 466.630 3.853 20 30 JHEDRO CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001312484835 1069964599 /nfs/dbraw/zinc/96/45/99/1069964599.db2.gz CJJZXDSCTFPWNF-LOSJGSFVSA-N 1 0 459.594 3.750 20 30 JHEDRO CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001314277113 1070036373 /nfs/dbraw/zinc/03/63/73/1070036373.db2.gz VRXPWJCOTORGBF-XMMPIXPASA-N 1 0 496.656 3.623 20 30 JHEDRO Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1C#N ZINC001307640396 1070096029 /nfs/dbraw/zinc/09/60/29/1070096029.db2.gz NCCOKMPUVUPHHL-KRWDZBQOSA-N 1 0 450.564 3.659 20 30 JHEDRO C#C[C@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC)c1ccc(Br)cc1 ZINC001312884502 1070166331 /nfs/dbraw/zinc/16/63/31/1070166331.db2.gz HQDRWOFWGPDHDL-AKIFATBCSA-N 1 0 470.411 3.960 20 30 JHEDRO CC(C)[N@H+](CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H](C)c1ccsc1 ZINC001307855209 1070213092 /nfs/dbraw/zinc/21/30/92/1070213092.db2.gz PNLRZUSFWYCCSU-QGZVFWFLSA-N 1 0 453.568 3.988 20 30 JHEDRO COC(=O)c1c(NC(=O)C[NH2+]C2(c3cccc(C#N)c3)CCOCC2)sc2c1CCCC2 ZINC001307939918 1070251114 /nfs/dbraw/zinc/25/11/14/1070251114.db2.gz ACKZRSLFTCULNH-UHFFFAOYSA-N 1 0 453.564 3.519 20 30 JHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001313141528 1070267144 /nfs/dbraw/zinc/26/71/44/1070267144.db2.gz YWPNOYHAMYGBFI-YKSBVNFPSA-N 1 0 459.594 3.686 20 30 JHEDRO CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001314405509 1070268719 /nfs/dbraw/zinc/26/87/19/1070268719.db2.gz CZWSAWXBINDCGN-VWNXMTODSA-N 1 0 466.630 3.632 20 30 JHEDRO CCOCCN(CC)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314473427 1070383579 /nfs/dbraw/zinc/38/35/79/1070383579.db2.gz MVCVXNKBKXHVIB-BGYRXZFFSA-N 1 0 454.619 3.567 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](OCC)C1 ZINC001313452818 1070384339 /nfs/dbraw/zinc/38/43/39/1070384339.db2.gz MDGLRAPHVHPONV-GMAHTHKFSA-N 1 0 452.603 3.608 20 30 JHEDRO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](CC(C)C)[NH+](C)C)CC1 ZINC001313472392 1070466420 /nfs/dbraw/zinc/46/64/20/1070466420.db2.gz YLKRYKPZJUQWSF-HSZRJFAPSA-N 1 0 465.646 3.536 20 30 JHEDRO CCCOc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001313517996 1070581657 /nfs/dbraw/zinc/58/16/57/1070581657.db2.gz JNQKUHPZHAOBPU-UHFFFAOYSA-N 1 0 459.598 3.969 20 30 JHEDRO CCSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC001314614585 1070683639 /nfs/dbraw/zinc/68/36/39/1070683639.db2.gz ZKPBPBBARYRSSM-QHCPKHFHSA-N 1 0 467.687 3.565 20 30 JHEDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(-c2ccccc2Cl)nnc1N1CCC(C)(C#N)CC1 ZINC001314628176 1070722913 /nfs/dbraw/zinc/72/29/13/1070722913.db2.gz GLKPZRUYGVJZMQ-OAQYLSRUSA-N 1 0 484.048 3.671 20 30 JHEDRO CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001314629294 1070726848 /nfs/dbraw/zinc/72/68/48/1070726848.db2.gz WHLAWMGOJPQLDF-UHFFFAOYSA-N 1 0 477.657 3.776 20 30 JHEDRO Cn1cc(Br)cc1-c1nnc(N2CCC(C#N)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314647496 1070749995 /nfs/dbraw/zinc/74/99/95/1070749995.db2.gz SIZQNKDGXRIKRM-SFHVURJKSA-N 1 0 472.391 3.682 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1cccs1 ZINC001314648745 1070753067 /nfs/dbraw/zinc/75/30/67/1070753067.db2.gz OUFWSGYEMXDGAB-OAQYLSRUSA-N 1 0 491.665 3.876 20 30 JHEDRO C[NH+](C)[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@](C)(C#N)C1)C1CC1 ZINC001314651122 1070760761 /nfs/dbraw/zinc/76/07/61/1070760761.db2.gz OXFDQJOFVZLMDJ-IPVFLDMMSA-N 1 0 485.677 3.863 20 30 JHEDRO C[NH+](C)C1(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC(CC#N)CC2)CCCCC1 ZINC001314657853 1070777743 /nfs/dbraw/zinc/77/77/43/1070777743.db2.gz ICFRUQQVLRBXQR-UHFFFAOYSA-N 1 0 469.659 3.664 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001314666649 1070799495 /nfs/dbraw/zinc/79/94/95/1070799495.db2.gz UFJRYPCOKKSLMD-SANMLTNESA-N 1 0 468.646 3.958 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001313660650 1070866380 /nfs/dbraw/zinc/86/63/80/1070866380.db2.gz SBTCVELCJKCBTH-IBGZPJMESA-N 1 0 479.032 3.922 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001313664506 1070877431 /nfs/dbraw/zinc/87/74/31/1070877431.db2.gz NVEPBAVUCJNBPY-NRFANRHFSA-N 1 0 487.656 3.690 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001313668047 1070891000 /nfs/dbraw/zinc/89/10/00/1070891000.db2.gz NWVNFHXSHYJZBJ-RBUKOAKNSA-N 1 0 493.578 3.532 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1)c1ccco1 ZINC001313675440 1070915658 /nfs/dbraw/zinc/91/56/58/1070915658.db2.gz UHBPRAZETJTTFL-QHCPKHFHSA-N 1 0 475.597 3.551 20 30 JHEDRO CN(Cc1cccc(C#N)c1)c1nnc(CNC(=O)c2cccs2)n1CC1([NH+](C)C)CCCC1 ZINC001314741993 1070980270 /nfs/dbraw/zinc/98/02/70/1070980270.db2.gz ZRGZFRPLAZRGHV-UHFFFAOYSA-N 1 0 477.638 3.652 20 30 JHEDRO CN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(Cl)nc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314740615 1070976652 /nfs/dbraw/zinc/97/66/52/1070976652.db2.gz YAJMNCCRKMNTFD-UHFFFAOYSA-N 1 0 479.032 3.528 20 30 JHEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001313700963 1070978139 /nfs/dbraw/zinc/97/81/39/1070978139.db2.gz OTEQSYVWJVCQCZ-JOCHJYFZSA-N 1 0 499.610 3.633 20 30 JHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCSC2)C1 ZINC001313709588 1071002784 /nfs/dbraw/zinc/00/27/84/1071002784.db2.gz OESFFIWOCHJSJE-LEWJYISDSA-N 1 0 454.644 3.650 20 30 JHEDRO CC[NH+](CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1 ZINC001313712282 1071008549 /nfs/dbraw/zinc/00/85/49/1071008549.db2.gz NGWMRGXVXQHJGU-UHFFFAOYSA-N 1 0 458.614 3.572 20 30 JHEDRO CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001313784358 1071154823 /nfs/dbraw/zinc/15/48/23/1071154823.db2.gz VZBZZKZTGJKGLB-HFMPRLQTSA-N 1 0 466.630 3.854 20 30 JHEDRO CCN(C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)[NH+](C)C)C1)CC(F)(F)F ZINC001313784800 1071157522 /nfs/dbraw/zinc/15/75/22/1071157522.db2.gz HDPZVFDROPCQGS-DENIHFKCSA-N 1 0 489.590 3.867 20 30 JHEDRO CN(CCc1cccs1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001314832051 1071165024 /nfs/dbraw/zinc/16/50/24/1071165024.db2.gz CYGUBIZXWJRDEJ-UHFFFAOYSA-N 1 0 463.655 3.583 20 30 JHEDRO CN(CCC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314842732 1071193423 /nfs/dbraw/zinc/19/34/23/1071193423.db2.gz XTKJNRSBRKSDGP-DEOSSOPVSA-N 1 0 454.644 3.507 20 30 JHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2ccsc2)CC1)C(C)C ZINC001313804800 1071217244 /nfs/dbraw/zinc/21/72/44/1071217244.db2.gz DTROQKDUYRZBNN-UHFFFAOYSA-N 1 0 463.655 3.931 20 30 JHEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)C1CC1 ZINC001313807511 1071228588 /nfs/dbraw/zinc/22/85/88/1071228588.db2.gz PXVADFKLUBWDRJ-QFIPXVFZSA-N 1 0 479.629 3.747 20 30 JHEDRO C[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC(F)(F)F)CC1)C1CCCC1 ZINC001314862150 1071254512 /nfs/dbraw/zinc/25/45/12/1071254512.db2.gz ODFXYXNTFYILLZ-UHFFFAOYSA-N 1 0 475.563 3.766 20 30 JHEDRO CC[N@H+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1)CCC(F)(F)F ZINC001313818589 1071268633 /nfs/dbraw/zinc/26/86/33/1071268633.db2.gz MFBAUVJQLAHADP-GOSISDBHSA-N 1 0 470.927 3.525 20 30 JHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccc(C#N)o2)C[C@@H]1C ZINC001313868082 1071402423 /nfs/dbraw/zinc/40/24/23/1071402423.db2.gz LXTFRXPNNDHOMD-OALUTQOASA-N 1 0 497.644 3.824 20 30 JHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)NCCNc2ncccc2C#N)cc1)C[C@H]1CCCCO1 ZINC001310490301 1071428454 /nfs/dbraw/zinc/42/84/54/1071428454.db2.gz NKOYLIGSDVAXRS-HSZRJFAPSA-N 1 0 450.587 3.966 20 30 JHEDRO CC[N@@H+]1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC001313884320 1071463323 /nfs/dbraw/zinc/46/33/23/1071463323.db2.gz NXOMCPGHKXWPSQ-UNMCSNQZSA-N 1 0 464.614 3.509 20 30 JHEDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001313887680 1071474260 /nfs/dbraw/zinc/47/42/60/1071474260.db2.gz XKJVBHYGZVQOHJ-OAQYLSRUSA-N 1 0 493.656 3.994 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccc(OCC(F)(F)F)nc2)C[C@H]1C ZINC001313937120 1071610180 /nfs/dbraw/zinc/61/01/80/1071610180.db2.gz SVTWFGYGSBEODF-GOSISDBHSA-N 1 0 499.541 3.926 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(COC)CCCC2)C[C@@H]1C ZINC001313944391 1071624992 /nfs/dbraw/zinc/62/49/92/1071624992.db2.gz ZKKZKCIPENHMCG-NRFANRHFSA-N 1 0 466.630 3.856 20 30 JHEDRO CCN1CC[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001313952726 1071646577 /nfs/dbraw/zinc/64/65/77/1071646577.db2.gz AXZHMTDVBHARTG-UHFFFAOYSA-N 1 0 478.670 3.636 20 30 JHEDRO CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@H](C)[NH+]2CCC(C)CC2)c2ccccc2c1=O ZINC001313959005 1071665873 /nfs/dbraw/zinc/66/58/73/1071665873.db2.gz JGWMDWPTBQTNSV-UXHICEINSA-N 1 0 476.629 3.534 20 30 JHEDRO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC001314030935 1071803475 /nfs/dbraw/zinc/80/34/75/1071803475.db2.gz YSDIFSVUQIZDAB-UEVCKROQSA-N 1 0 479.629 3.650 20 30 JHEDRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CC[NH+](CC)CC2)C1 ZINC001314034542 1071816172 /nfs/dbraw/zinc/81/61/72/1071816172.db2.gz ULMMOUOKRVMPFH-QHCPKHFHSA-N 1 0 479.629 3.654 20 30 JHEDRO CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC2CC[NH+](CCC(C)C)CC2)CCOC1 ZINC001314110935 1072004472 /nfs/dbraw/zinc/00/44/72/1072004472.db2.gz XLZPYAYBEODOMO-SANMLTNESA-N 1 0 472.678 3.818 20 30 JHEDRO CCc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CCCN(C)C(=O)OC(C)(C)C ZINC001306181128 1068573202 /nfs/dbraw/zinc/57/32/02/1068573202.db2.gz SYPZSSRGRNFDGK-UHFFFAOYSA-N 1 0 481.645 3.681 20 30 JHEDRO CCc1nsc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC[NH+](C(C)C)C(C)C)CC2)n1 ZINC001306239983 1068637169 /nfs/dbraw/zinc/63/71/69/1068637169.db2.gz IFYUBDBTLHWPKD-UHFFFAOYSA-N 1 0 493.685 3.676 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C#N ZINC001306319233 1068744108 /nfs/dbraw/zinc/74/41/08/1068744108.db2.gz RLIQIBIDPIPOFP-SJLPKXTDSA-N 1 0 462.440 3.906 20 30 JHEDRO C[N@H+](CCO)CCNC(=O)N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC001310585283 1069031218 /nfs/dbraw/zinc/03/12/18/1069031218.db2.gz YCJFEQDCGMMDSC-LBPRGKRZSA-N 1 0 455.321 3.551 20 30 JHEDRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCCCC2)C1 ZINC001306496857 1069044006 /nfs/dbraw/zinc/04/40/06/1069044006.db2.gz ARCQPIAVGTUHMH-HSZRJFAPSA-N 1 0 463.630 3.578 20 30 JHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001310961633 1069234403 /nfs/dbraw/zinc/23/44/03/1069234403.db2.gz VWGSEKRMYJEFMV-SANMLTNESA-N 1 0 457.534 3.813 20 30 JHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC001310963670 1069235003 /nfs/dbraw/zinc/23/50/03/1069235003.db2.gz QTBUIXUJJFQTGW-QFIPXVFZSA-N 1 0 457.534 3.942 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc3cc(F)ccc3c(Cl)c2C#N)CC1 ZINC001164825276 720355211 /nfs/dbraw/zinc/35/52/11/720355211.db2.gz JGNBOQAUURTZAU-RTWAWAEBSA-N 1 0 455.965 3.810 20 30 JHEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cc(-c3ccc(C#N)cc3)nnc2Cl)C1 ZINC001164733075 720534473 /nfs/dbraw/zinc/53/44/73/720534473.db2.gz ARBZLLMAGCKTNN-INIZCTEOSA-N 1 0 457.916 3.608 20 30 JHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743497 720811486 /nfs/dbraw/zinc/81/14/86/720811486.db2.gz GEQUIMBRCURAFN-RLFYNMQTSA-N 1 0 482.366 3.776 20 30 JHEDRO N#CCc1ccc(OCc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2)cc1 ZINC001164745748 720849164 /nfs/dbraw/zinc/84/91/64/720849164.db2.gz NCQUAEPPYJFTIB-RGSZASNESA-N 1 0 483.620 3.698 20 30 JHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164744723 720858629 /nfs/dbraw/zinc/85/86/29/720858629.db2.gz CFYPOSWUZHAFAI-KCZVDYSFSA-N 1 0 490.999 3.765 20 30 JHEDRO N#CC1(c2ccc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2)CCOCC1 ZINC001164753697 720905578 /nfs/dbraw/zinc/90/55/78/720905578.db2.gz SBJBBQZLHXFYDJ-WNJJXGMVSA-N 1 0 487.648 3.803 20 30 JHEDRO N#CCc1ccc(OCc2ccc(N3CC[N@@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2)cc1 ZINC001164881145 721152651 /nfs/dbraw/zinc/15/26/51/721152651.db2.gz ZGZWTMWHLFANCR-AZGAKELHSA-N 1 0 455.562 3.601 20 30 JHEDRO 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 ZINC001164762572 721174210 /nfs/dbraw/zinc/17/42/10/721174210.db2.gz CVEGCLSWCNPXJE-VXKWHMMOSA-N 1 0 492.744 3.987 20 30 JHEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4ccccc4C#N)C3)O2)CC1 ZINC001164887074 721450322 /nfs/dbraw/zinc/45/03/22/721450322.db2.gz IMHZAAMWMZGKSF-NBGIEHNGSA-N 1 0 483.016 3.559 20 30 JHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164885907 721453935 /nfs/dbraw/zinc/45/39/35/721453935.db2.gz FWGOXPQLOGYHDI-KBMIEXCESA-N 1 0 454.018 3.834 20 30 JHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccnc2[C@@H](C#N)C(=O)OC(C)(C)C)CC1 ZINC001165031170 721844892 /nfs/dbraw/zinc/84/48/92/721844892.db2.gz WDAHLEPBNRTZIY-LJQANCHMSA-N 1 0 481.597 3.543 20 30 JHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164974677 722155230 /nfs/dbraw/zinc/15/52/30/722155230.db2.gz OUIJYQZIEPOOTJ-OFNKIYASSA-N 1 0 476.968 3.916 20 30 JHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164973043 722155407 /nfs/dbraw/zinc/15/54/07/722155407.db2.gz KJBOEUUFHYRDPH-REWPJTCUSA-N 1 0 476.968 3.916 20 30 JHEDRO CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)CCO1 ZINC001306623090 1069314100 /nfs/dbraw/zinc/31/41/00/1069314100.db2.gz POENZOTUZBWJCB-DQEYMECFSA-N 1 0 480.657 3.959 20 30 JHEDRO CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCC(OC)CC2)CC[N@@H+]1CCOC ZINC001306623387 1069315320 /nfs/dbraw/zinc/31/53/20/1069315320.db2.gz SECLAGZHQDEEEB-QNVARPAVSA-N 1 0 480.657 3.959 20 30 JHEDRO CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)C[NH+]2CCCCC2)CCO1 ZINC001306632387 1069333937 /nfs/dbraw/zinc/33/39/37/1069333937.db2.gz LFMHVVMIEYSYGN-ZJSXRUAMSA-N 1 0 466.630 3.856 20 30 JHEDRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCCS2(=O)=O)CC1 ZINC001306679775 1069405800 /nfs/dbraw/zinc/40/58/00/1069405800.db2.gz JTCHQKVHPRLDRG-XMMPIXPASA-N 1 0 498.697 3.732 20 30 JHEDRO CCCC[N@H+](C)CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 ZINC001306686582 1069423236 /nfs/dbraw/zinc/42/32/36/1069423236.db2.gz GZWRWTYNVYMXOH-FQEVSTJZSA-N 1 0 459.639 3.822 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001306724130 1069464599 /nfs/dbraw/zinc/46/45/99/1069464599.db2.gz WJXHHADTISJCOD-ZCYQVOJMSA-N 1 0 477.657 3.776 20 30 JHEDRO CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1OC ZINC001314176687 1069706181 /nfs/dbraw/zinc/70/61/81/1069706181.db2.gz KIEFNZIVRPTACX-DVECYGJZSA-N 1 0 458.582 3.771 20 30 JHEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001307040183 1069765849 /nfs/dbraw/zinc/76/58/49/1069765849.db2.gz WVEWIHGTZHGLDL-NWSQWKLXSA-N 1 0 493.656 3.898 20 30 JHEDRO C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC001312485138 1069964432 /nfs/dbraw/zinc/96/44/32/1069964432.db2.gz IFZRODIRSDFWLU-DCEDVJGZSA-N 1 0 459.594 3.748 20 30 JHEDRO CCO[C@@H]1C[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2([NH+](C)C)CCSC2)C1(C)C ZINC001314246279 1069961937 /nfs/dbraw/zinc/96/19/37/1069961937.db2.gz ABWRFNMRRSZRAD-DRLORSAXSA-N 1 0 498.697 3.806 20 30 JHEDRO CCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001314277601 1070037481 /nfs/dbraw/zinc/03/74/81/1070037481.db2.gz ZHTIJJRRVXZCBJ-GOTSBHOMSA-N 1 0 466.630 3.854 20 30 JHEDRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)oc21 ZINC001307662397 1070109538 /nfs/dbraw/zinc/10/95/38/1070109538.db2.gz VFIZWFQEMAHWHN-MJGOQNOKSA-N 1 0 452.580 3.953 20 30 JHEDRO CCOC(=O)C[C@@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)C(C)C ZINC001307712828 1070140816 /nfs/dbraw/zinc/14/08/16/1070140816.db2.gz KKBUDKBLIHDWET-RUZDIDTESA-N 1 0 454.571 3.870 20 30 JHEDRO C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC001312945653 1070193573 /nfs/dbraw/zinc/19/35/73/1070193573.db2.gz LMXKBRQSFMUDSU-RBUKOAKNSA-N 1 0 455.603 3.562 20 30 JHEDRO CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCC[N@@H+]1CCCC[C@H]1C ZINC001314389718 1070242662 /nfs/dbraw/zinc/24/26/62/1070242662.db2.gz JZUMMLNZIZUFCD-HXUWFJFHSA-N 1 0 486.064 3.931 20 30 JHEDRO CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCC1CC[NH+](CC)CC1 ZINC001314391873 1070246739 /nfs/dbraw/zinc/24/67/39/1070246739.db2.gz UBHDFFDYZXXGFV-UHFFFAOYSA-N 1 0 486.064 3.788 20 30 JHEDRO CC1(C)[C@H](c2ccccc2F)CC[N@@H+]1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC001308008831 1070277250 /nfs/dbraw/zinc/27/72/50/1070277250.db2.gz RQGCCTDAQIJTGG-UPVQGACJSA-N 1 0 452.549 3.942 20 30 JHEDRO CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H](O)COc2ccccc2C#N)n1 ZINC001308121102 1070320033 /nfs/dbraw/zinc/32/00/33/1070320033.db2.gz MYYWBFQXLVCTTC-MAELHVQTSA-N 1 0 455.624 3.653 20 30 JHEDRO CC[C@H](C#N)Oc1cccc(C[NH2+]Cc2cnnn2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001308272724 1070349059 /nfs/dbraw/zinc/34/90/59/1070349059.db2.gz IBYUGCSMFHWXRS-PZJWPPBQSA-N 1 0 454.575 3.821 20 30 JHEDRO CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]Cc1cccc(OCc3ccccc3C#N)c1)CC2 ZINC001308375086 1070364090 /nfs/dbraw/zinc/36/40/90/1070364090.db2.gz WITJCBNRRZVRSX-NRFANRHFSA-N 1 0 457.578 3.824 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC001313447700 1070368270 /nfs/dbraw/zinc/36/82/70/1070368270.db2.gz NAQGNEUBHXCBMP-LSTHTHJFSA-N 1 0 462.520 3.847 20 30 JHEDRO C[C@H]1C[C@@H](C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001308623159 1070403963 /nfs/dbraw/zinc/40/39/63/1070403963.db2.gz ISUBDZLCGJICGV-ROUUACIJSA-N 1 0 455.559 3.964 20 30 JHEDRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001308686951 1070418469 /nfs/dbraw/zinc/41/84/69/1070418469.db2.gz RWQKFRRBYBKWDM-MGPUTAFESA-N 1 0 455.356 3.823 20 30 JHEDRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@H]2OC)C[C@@H]1CC ZINC001314496701 1070418896 /nfs/dbraw/zinc/41/88/96/1070418896.db2.gz RUTIROQHZZHBQT-KMDXXIMOSA-N 1 0 466.630 3.569 20 30 JHEDRO CCCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1OC ZINC001313503443 1070533473 /nfs/dbraw/zinc/53/34/73/1070533473.db2.gz DEQUEQURNVBGJZ-KOSHJBKYSA-N 1 0 456.566 3.669 20 30 JHEDRO CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001313520667 1070586827 /nfs/dbraw/zinc/58/68/27/1070586827.db2.gz FISBGZAYMLJYEG-SANMLTNESA-N 1 0 493.700 3.876 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 ZINC001314650259 1070757976 /nfs/dbraw/zinc/75/79/76/1070757976.db2.gz ZFIRTBWLCPTDRE-ROUUACIJSA-N 1 0 487.427 3.801 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1)c1cccs1 ZINC001314655309 1070772118 /nfs/dbraw/zinc/77/21/18/1070772118.db2.gz OSTDQFOWLDRCMY-AVRDEDQJSA-N 1 0 458.538 3.803 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@@](F)(C#N)C1 ZINC001314662472 1070789445 /nfs/dbraw/zinc/78/94/45/1070789445.db2.gz FCYOMNFPPBSIDM-HXUWFJFHSA-N 1 0 467.362 3.876 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@H]2CCOC2)CC1 ZINC001314665609 1070797848 /nfs/dbraw/zinc/79/78/48/1070797848.db2.gz FTDJMZSDKJVJET-QFIPXVFZSA-N 1 0 466.630 3.569 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC001314667915 1070803136 /nfs/dbraw/zinc/80/31/36/1070803136.db2.gz LEQPJMXBOMDXEA-HSZRJFAPSA-N 1 0 465.646 3.696 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001314669061 1070806728 /nfs/dbraw/zinc/80/67/28/1070806728.db2.gz XXQRMTCZMYIWKB-UHFFFAOYSA-N 1 0 456.038 3.985 20 30 JHEDRO CN(C)CC[NH+]1CCC(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 ZINC001314669405 1070808361 /nfs/dbraw/zinc/80/83/61/1070808361.db2.gz FHRQFHKEOPNVRF-SANMLTNESA-N 1 0 484.092 3.926 20 30 JHEDRO CN(C)CC[NH+]1CCC(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CC#N)CC2)CC1 ZINC001314670983 1070813554 /nfs/dbraw/zinc/81/35/54/1070813554.db2.gz HZQBCSOZPAJOPL-DNQXCXABSA-N 1 0 485.721 3.600 20 30 JHEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001309517256 1070822297 /nfs/dbraw/zinc/82/22/97/1070822297.db2.gz UQDQGVYMNMYWRX-DEOSSOPVSA-N 1 0 453.608 3.878 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 ZINC001313656939 1070853178 /nfs/dbraw/zinc/85/31/78/1070853178.db2.gz HVQQRZSTWKVVGP-NRFANRHFSA-N 1 0 477.657 3.776 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 ZINC001313662821 1070870892 /nfs/dbraw/zinc/87/08/92/1070870892.db2.gz XFASTDKAPJIOIW-FQEVSTJZSA-N 1 0 476.604 3.716 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 ZINC001313669163 1070894497 /nfs/dbraw/zinc/89/44/97/1070894497.db2.gz STBNGEXKRXBQBX-IUKKYPGJSA-N 1 0 463.602 3.522 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001313671057 1070898643 /nfs/dbraw/zinc/89/86/43/1070898643.db2.gz NWHXMUNVHZDEKD-NRFANRHFSA-N 1 0 473.625 3.914 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnccn1)c1ccco1 ZINC001313672656 1070904675 /nfs/dbraw/zinc/90/46/75/1070904675.db2.gz IHSUJVPVJBHZQB-QFIPXVFZSA-N 1 0 456.554 3.919 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 ZINC001313674060 1070910024 /nfs/dbraw/zinc/91/00/24/1070910024.db2.gz MKKRLYIBBLSXRZ-NHCUHLMSSA-N 1 0 496.637 3.836 20 30 JHEDRO CN(CC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1CC1([NH+]2CCOCC2)CCCCC1 ZINC001314718594 1070910120 /nfs/dbraw/zinc/91/01/20/1070910120.db2.gz FGWXPDBXKVGERO-UHFFFAOYSA-N 1 0 462.520 3.850 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1)c1ccsc1 ZINC001313676194 1070920484 /nfs/dbraw/zinc/92/04/84/1070920484.db2.gz XIVUACLBPKZHAK-XMSQKQJNSA-N 1 0 477.638 3.628 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)c1ccco1 ZINC001313679476 1070935354 /nfs/dbraw/zinc/93/53/54/1070935354.db2.gz QUKJRQLADCCQQP-IFMALSPDSA-N 1 0 491.644 3.529 20 30 JHEDRO CN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314740208 1070974854 /nfs/dbraw/zinc/97/48/54/1070974854.db2.gz QGYADRSBANDDOK-QHCPKHFHSA-N 1 0 468.030 3.939 20 30 JHEDRO CC[NH+](CC)CCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001313717621 1071017576 /nfs/dbraw/zinc/01/75/76/1071017576.db2.gz GXYIDMFCJLOBDT-SANMLTNESA-N 1 0 463.630 3.925 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 ZINC001313721118 1071022712 /nfs/dbraw/zinc/02/27/12/1071022712.db2.gz GBDSVWBQTZYNKU-NQIIRXRSSA-N 1 0 478.601 3.631 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001313721665 1071024693 /nfs/dbraw/zinc/02/46/93/1071024693.db2.gz PGVJHCULVLQGGZ-MRXNPFEDSA-N 1 0 476.610 3.894 20 30 JHEDRO C[N@H+](CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 ZINC001314852177 1071226235 /nfs/dbraw/zinc/22/62/35/1071226235.db2.gz QCSDAHHIRBEJJJ-JOCHJYFZSA-N 1 0 473.021 3.894 20 30 JHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1)CCC(F)(F)F ZINC001313806848 1071226688 /nfs/dbraw/zinc/22/66/88/1071226688.db2.gz ZTTQWHOAUHPMTH-PXNSSMCTSA-N 1 0 464.536 3.952 20 30 JHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(C#N)o2)C[C@@H]1C ZINC001313859193 1071362920 /nfs/dbraw/zinc/36/29/20/1071362920.db2.gz FLCYFHATRKRJMH-JKSUJKDBSA-N 1 0 456.497 3.978 20 30 JHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccc(C#N)o2)C[C@@H]1C ZINC001313868085 1071402400 /nfs/dbraw/zinc/40/24/00/1071402400.db2.gz LXTFRXPNNDHOMD-RBUKOAKNSA-N 1 0 497.644 3.824 20 30 JHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCCC2(C)C)C[C@@H]1C ZINC001313879118 1071447811 /nfs/dbraw/zinc/44/78/11/1071447811.db2.gz XXBNFCANPIOPNQ-DYLHXGEVSA-N 1 0 466.630 3.589 20 30 JHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(C#N)CC1 ZINC001313896408 1071500312 /nfs/dbraw/zinc/50/03/12/1071500312.db2.gz OWMAWUPYFCJKLU-OAQYLSRUSA-N 1 0 452.603 3.965 20 30 JHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001313897619 1071503377 /nfs/dbraw/zinc/50/33/77/1071503377.db2.gz ZRIGVBFKJTWLBO-GMAHTHKFSA-N 1 0 477.657 3.680 20 30 JHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC001313897620 1071503566 /nfs/dbraw/zinc/50/35/66/1071503566.db2.gz ZRIGVBFKJTWLBO-JTHBVZDNSA-N 1 0 477.657 3.680 20 30 JHEDRO CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1cccs1)[NH+]1CCCC1 ZINC001315027613 1071554409 /nfs/dbraw/zinc/55/44/09/1071554409.db2.gz UPSZEWFDTSMMFD-OAQYLSRUSA-N 1 0 477.638 3.678 20 30 JHEDRO CCO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001314064981 1071909515 /nfs/dbraw/zinc/90/95/15/1071909515.db2.gz ZCTATDJQXPZFOO-SQJMNOBHSA-N 1 0 480.657 3.957 20 30 JHEDRO CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCOC1 ZINC001314084328 1071951405 /nfs/dbraw/zinc/95/14/05/1071951405.db2.gz XAUKRBRZLXOXLI-RPLLCQBOSA-N 1 0 480.657 3.949 20 30 JHEDRO CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC(C)(C)[NH2+][C@H](C)c2ccccc2)CCOC1 ZINC001314100939 1071984824 /nfs/dbraw/zinc/98/48/24/1071984824.db2.gz OVGBCJVBNSLXGA-IBVKSMDESA-N 1 0 466.630 3.800 20 30 JHEDRO CCc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C ZINC001306179710 1068570275 /nfs/dbraw/zinc/57/02/75/1068570275.db2.gz BBBVFZGMRNWPLF-HXUWFJFHSA-N 1 0 481.645 3.680 20 30 JHEDRO CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001306195245 1068586664 /nfs/dbraw/zinc/58/66/64/1068586664.db2.gz YWQVRUQTDIZWRP-WOJBJXKFSA-N 1 0 467.637 3.934 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001306320135 1068747990 /nfs/dbraw/zinc/74/79/90/1068747990.db2.gz QESQMBBJSBOPFK-NTKDMRAZSA-N 1 0 456.566 3.669 20 30 JHEDRO CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CC[NH+](C)CC2)CCS1 ZINC001306407154 1068880069 /nfs/dbraw/zinc/88/00/69/1068880069.db2.gz WGTUDQQLURBGOB-FQEVSTJZSA-N 1 0 456.685 3.976 20 30 JHEDRO CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC2CCOCC2)CC[N@@H+]1CCOC ZINC001306409471 1068888467 /nfs/dbraw/zinc/88/84/67/1068888467.db2.gz KAGHFHGFQBWQPX-XMMPIXPASA-N 1 0 466.630 3.571 20 30 JHEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1)[NH+]1CCOCC1 ZINC001306409951 1068889356 /nfs/dbraw/zinc/88/93/56/1068889356.db2.gz LZPNGFFCZBTORC-ZPZUNKDASA-N 1 0 480.657 3.957 20 30 JHEDRO 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Cc1cc(C#N)cc(C)c1C[NH+]1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 ZINC001307718102 1070143320 /nfs/dbraw/zinc/14/33/20/1070143320.db2.gz AYSRVHGQKWWCEY-UHFFFAOYSA-N 1 0 450.587 3.897 20 30 JHEDRO CC1(C)CN(CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001307967080 1070262244 /nfs/dbraw/zinc/26/22/44/1070262244.db2.gz GXKIQSACHHWDER-RUZDIDTESA-N 1 0 451.636 3.955 20 30 JHEDRO CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001314402420 1070263839 /nfs/dbraw/zinc/26/38/39/1070263839.db2.gz FASJZKAMYMZSAM-URXFXBBRSA-N 1 0 466.630 3.776 20 30 JHEDRO CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001314405506 1070268251 /nfs/dbraw/zinc/26/82/51/1070268251.db2.gz CZWSAWXBINDCGN-ISKFKSNPSA-N 1 0 466.630 3.632 20 30 JHEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC001307982045 1070268841 /nfs/dbraw/zinc/26/88/41/1070268841.db2.gz IGADBDPJLKSBED-CSKUQDPHSA-N 1 0 457.619 3.537 20 30 JHEDRO CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC[C@H](C)[NH+]2CCCCC2)c2ccccc2c1=O ZINC001313452122 1070381350 /nfs/dbraw/zinc/38/13/50/1070381350.db2.gz FQZIEUFOHCMHHX-SFTDATJTSA-N 1 0 490.656 3.925 20 30 JHEDRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001313466592 1070439203 /nfs/dbraw/zinc/43/92/03/1070439203.db2.gz MSPAIVLPHJOGCT-QHCPKHFHSA-N 1 0 465.646 3.678 20 30 JHEDRO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001313472405 1070466473 /nfs/dbraw/zinc/46/64/73/1070466473.db2.gz YZNQEVKCDLRPHD-HSZRJFAPSA-N 1 0 491.684 3.927 20 30 JHEDRO CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314563578 1070565851 /nfs/dbraw/zinc/56/58/51/1070565851.db2.gz JSGVZELMHHMDTF-UBRWKZKUSA-N 1 0 468.671 3.676 20 30 JHEDRO C[N@@H+]1CCC[C@H](CNS(=O)(=O)c2cc(Br)cc(C#N)c2)[C@@H]1c1cccs1 ZINC001309221385 1070621177 /nfs/dbraw/zinc/62/11/77/1070621177.db2.gz ZWSKZTKQIHXTQS-RDTXWAMCSA-N 1 0 454.415 3.744 20 30 JHEDRO CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C1CC1)[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314649153 1070754800 /nfs/dbraw/zinc/75/48/00/1070754800.db2.gz SQAZJZHJWWLHNF-QHCPKHFHSA-N 1 0 493.656 3.993 20 30 JHEDRO C[NH+](C)[C@@]1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CC[C@](F)(C#N)C2)CCSC1 ZINC001314654223 1070768227 /nfs/dbraw/zinc/76/82/27/1070768227.db2.gz XGHMEIWTOBHBQC-VQTJNVASSA-N 1 0 497.413 3.726 20 30 JHEDRO C[NH+](C)[C@@]1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CC[C@@](F)(C#N)C2)CCSC1 ZINC001314654226 1070768356 /nfs/dbraw/zinc/76/83/56/1070768356.db2.gz XGHMEIWTOBHBQC-WOJBJXKFSA-N 1 0 497.413 3.726 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 ZINC001314655826 1070773748 /nfs/dbraw/zinc/77/37/48/1070773748.db2.gz OATWJQAJURWSIR-WOJBJXKFSA-N 1 0 457.003 3.615 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 ZINC001314655825 1070773818 /nfs/dbraw/zinc/77/38/18/1070773818.db2.gz OATWJQAJURWSIR-VQTJNVASSA-N 1 0 457.003 3.615 20 30 JHEDRO C[NH+](C)C1(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 ZINC001314660308 1070783885 /nfs/dbraw/zinc/78/38/85/1070783885.db2.gz NCBDYPJMJHXYNQ-FDDCHVKYSA-N 1 0 475.613 3.666 20 30 JHEDRO CN(C)CC[NH+]1CCC(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@](C)(C#N)C2)CC1 ZINC001314669404 1070807241 /nfs/dbraw/zinc/80/72/41/1070807241.db2.gz FHRQFHKEOPNVRF-AREMUKBSSA-N 1 0 484.092 3.926 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001313657725 1070856854 /nfs/dbraw/zinc/85/68/54/1070856854.db2.gz OCXJGQVOIQITOL-HXUWFJFHSA-N 1 0 461.614 3.771 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 ZINC001313657741 1070857289 /nfs/dbraw/zinc/85/72/89/1070857289.db2.gz OCZFPVOCJDDTFX-LJQANCHMSA-N 1 0 480.686 3.550 20 30 JHEDRO C[N@H+](CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1)C1CCCC1 ZINC001314864505 1071263068 /nfs/dbraw/zinc/26/30/68/1071263068.db2.gz BIONEQJYHXQVQF-DFBJGRDBSA-N 1 0 489.640 3.709 20 30 JHEDRO CN(CCn1c(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)nnc1C(C)(C)C)CC(F)(F)F ZINC001314866826 1071271821 /nfs/dbraw/zinc/27/18/21/1071271821.db2.gz CWWHOEYSMVNFRI-UHFFFAOYSA-N 1 0 477.579 3.654 20 30 JHEDRO CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314870574 1071281161 /nfs/dbraw/zinc/28/11/61/1071281161.db2.gz DVDXHLJQDQQLRA-HSZRJFAPSA-N 1 0 493.681 3.728 20 30 JHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(CCC#N)CC1CC1 ZINC001314925045 1071368333 /nfs/dbraw/zinc/36/83/33/1071368333.db2.gz RDDVQPHZZVHKRI-FQEVSTJZSA-N 1 0 469.659 3.520 20 30 JHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001314928612 1071371548 /nfs/dbraw/zinc/37/15/48/1071371548.db2.gz NKJRLEYDGOQOFI-RBUKOAKNSA-N 1 0 462.520 3.705 20 30 JHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001314928959 1071372276 /nfs/dbraw/zinc/37/22/76/1071372276.db2.gz QXZFBPQPGNPQBN-QFIPXVFZSA-N 1 0 477.657 3.632 20 30 JHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCCC(F)(F)F)C[C@H]1C ZINC001313873763 1071425548 /nfs/dbraw/zinc/42/55/48/1071425548.db2.gz DDAHYSSGNCCJFX-SJORKVTESA-N 1 0 450.509 3.990 20 30 JHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001313916118 1071552035 /nfs/dbraw/zinc/55/20/35/1071552035.db2.gz WBQMBDFOMLEBSM-NVQXNPDNSA-N 1 0 466.630 3.999 20 30 JHEDRO CC[NH+]1CCN(c2ccc(Cn3c(Cc4ccc(Cl)cc4)nnc3N(C)[C@H](C)CC#N)cn2)CC1 ZINC001313933345 1071597763 /nfs/dbraw/zinc/59/77/63/1071597763.db2.gz KLJSPWBMFQQTIW-HXUWFJFHSA-N 1 0 493.059 3.846 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001313934369 1071602445 /nfs/dbraw/zinc/60/24/45/1071602445.db2.gz UMAOPFOMSQQXQY-GOSISDBHSA-N 1 0 463.586 3.699 20 30 JHEDRO CCN1CC[NH+](CCCCn2c(CCc3ccccc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 ZINC001313953434 1071649017 /nfs/dbraw/zinc/64/90/17/1071649017.db2.gz DYBYRTPKWUTQRO-MHZLTWQESA-N 1 0 463.674 3.611 20 30 JHEDRO CCN1CC[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCC=C(Br)C2)CC1 ZINC001313955471 1071655377 /nfs/dbraw/zinc/65/53/77/1071655377.db2.gz UUEKCOOWYNHAEC-UHFFFAOYSA-N 1 0 498.473 3.723 20 30 JHEDRO CCc1nn(C)c(CC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([NH2+]C(C)C)CC1 ZINC001306044209 1068462856 /nfs/dbraw/zinc/46/28/56/1068462856.db2.gz CTXILJBBDKAMPK-UHFFFAOYSA-N 1 0 490.656 3.602 20 30 JHEDRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H](c1ccsc1)[NH+](CC)CC ZINC001306244693 1068649280 /nfs/dbraw/zinc/64/92/80/1068649280.db2.gz CTFVASCGUGQVCZ-FGZHOGPDSA-N 1 0 477.638 3.676 20 30 JHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c1C#N ZINC001306285949 1068704389 /nfs/dbraw/zinc/70/43/89/1068704389.db2.gz LCIOIGJDQIRJIQ-UHFFFAOYSA-N 1 0 457.513 3.606 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 ZINC001306319005 1068743559 /nfs/dbraw/zinc/74/35/59/1068743559.db2.gz QJKYIPFRTBPCCW-ZCNNSNEGSA-N 1 0 456.566 3.550 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCCOC)C1 ZINC001306320860 1068750386 /nfs/dbraw/zinc/75/03/86/1068750386.db2.gz YAQZZEYGNDLPOI-DNQXCXABSA-N 1 0 466.630 3.713 20 30 JHEDRO 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 1068872448 /nfs/dbraw/zinc/87/24/48/1068872448.db2.gz CDUDVYXZRQRTFO-ISHFTEKXSA-N 1 0 466.630 3.708 20 30 JHEDRO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)s2)CC[N@@H+]1CCOC ZINC001306406953 1068879459 /nfs/dbraw/zinc/87/94/59/1068879459.db2.gz RPNHJQHLTCANMW-OAQYLSRUSA-N 1 0 450.612 3.782 20 30 JHEDRO C[N@H+](CCN1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1)Cc1ccccc1 ZINC001310712395 1069128101 /nfs/dbraw/zinc/12/81/01/1069128101.db2.gz DLEBRKPXBXZARJ-UHFFFAOYSA-N 1 0 456.388 3.602 20 30 JHEDRO CCC[C@@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001306534534 1069178106 /nfs/dbraw/zinc/17/81/06/1069178106.db2.gz FWVWVVFHGAANRR-HHHXNRCGSA-N 1 0 473.625 3.784 20 30 JHEDRO CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001306551471 1069215400 /nfs/dbraw/zinc/21/54/00/1069215400.db2.gz XVSGDECOERYXKN-SFTDATJTSA-N 1 0 477.657 3.680 20 30 JHEDRO Cn1c(Cl)cnc1-c1csc(NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC001310994472 1069243812 /nfs/dbraw/zinc/24/38/12/1069243812.db2.gz RGHRDQIKGNQOKX-UHFFFAOYSA-N 1 0 455.975 3.855 20 30 JHEDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F ZINC001311143887 1069283090 /nfs/dbraw/zinc/28/30/90/1069283090.db2.gz ABVHLKQKCLWERM-JOCHJYFZSA-N 1 0 459.516 3.621 20 30 JHEDRO CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)(C)C)CC[N@@H+]1CCOC ZINC001306621316 1069309709 /nfs/dbraw/zinc/30/97/09/1069309709.db2.gz AKGYGKHRIIXTHS-JOCHJYFZSA-N 1 0 454.619 3.569 20 30 JHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccccc1C#N)C2 ZINC001164815286 720198247 /nfs/dbraw/zinc/19/82/47/720198247.db2.gz YHBLTYFHEPZHAM-YADARESESA-N 1 0 453.974 3.979 20 30 JHEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3cc(F)ccc3c(Cl)c1C#N)CCC2 ZINC001164817160 720248236 /nfs/dbraw/zinc/24/82/36/720248236.db2.gz POVGAYLDQFSVAN-UHFFFAOYSA-N 1 0 454.937 3.706 20 30 JHEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C#N ZINC001164834389 720326293 /nfs/dbraw/zinc/32/62/93/720326293.db2.gz ZVJIKUNLJJHPCU-FCHUYYIVSA-N 1 0 476.650 3.649 20 30 JHEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C#N ZINC001164744481 720836352 /nfs/dbraw/zinc/83/63/52/720836352.db2.gz KEYDNQQHQRQQAS-QZNHQXDQSA-N 1 0 486.649 3.708 20 30 JHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164744711 720858611 /nfs/dbraw/zinc/85/86/11/720858611.db2.gz CFYPOSWUZHAFAI-JAXLGGSGSA-N 1 0 490.999 3.765 20 30 JHEDRO N#Cc1cc(C#N)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1Cl ZINC001164750586 720888544 /nfs/dbraw/zinc/88/85/44/720888544.db2.gz BKCIMPGEZXMXMT-WIOPSUGQSA-N 1 0 462.985 3.628 20 30 JHEDRO CSc1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1C#N ZINC001164866738 721108930 /nfs/dbraw/zinc/10/89/30/721108930.db2.gz UTXJQPCFEQWAQB-LEWJYISDSA-N 1 0 458.591 3.612 20 30 JHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868294 721186236 /nfs/dbraw/zinc/18/62/36/721186236.db2.gz LWBVABBQWKKARE-WOJBJXKFSA-N 1 0 462.941 3.669 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)cc1C#N)CC2 ZINC001164785858 721463550 /nfs/dbraw/zinc/46/35/50/721463550.db2.gz OEVWUICSTKCPKD-IBGZPJMESA-N 1 0 468.976 3.885 20 30 JHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796708 721500775 /nfs/dbraw/zinc/50/07/75/721500775.db2.gz WALKNRAPPKLLCC-OAQYLSRUSA-N 1 0 470.577 3.686 20 30 JHEDRO Cc1nc(C#Cc2ccnc(N3CC[C@H]4[C@H]3CCN4CC[NH+](C)C)c2)c(C)n1-c1ccc(F)cc1 ZINC001164928082 721863731 /nfs/dbraw/zinc/86/37/31/721863731.db2.gz XTZAUAXBZXLCJX-RRPNLBNLSA-N 1 0 472.612 3.638 20 30 JHEDRO Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCC[C@H]([NH+](C)C)C2)cc1C ZINC001165036041 721895680 /nfs/dbraw/zinc/89/56/80/721895680.db2.gz REDUWPKROMXXOZ-CVDCTZTESA-N 1 0 463.607 3.816 20 30 JHEDRO Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCC[C@@H]([NH+](C)C)C2)cc1C ZINC001165036046 721895718 /nfs/dbraw/zinc/89/57/18/721895718.db2.gz REDUWPKROMXXOZ-XXBNENTESA-N 1 0 463.607 3.816 20 30 JHEDRO N#CCc1ccc(CNC(=O)NCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC001311421253 1069368431 /nfs/dbraw/zinc/36/84/31/1069368431.db2.gz BKJQVQQJWXACQL-UHFFFAOYSA-N 1 0 459.516 3.783 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 ZINC001306682307 1069413272 /nfs/dbraw/zinc/41/32/72/1069413272.db2.gz GJGSUSGJTXONJN-UHFFFAOYSA-N 1 0 465.646 3.632 20 30 JHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC001311820961 1069560468 /nfs/dbraw/zinc/56/04/68/1069560468.db2.gz UYDIOOYLLYVANO-NQIIRXRSSA-N 1 0 453.562 3.819 20 30 JHEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001307037704 1069758948 /nfs/dbraw/zinc/75/89/48/1069758948.db2.gz FROAGTXENFCXTJ-UNMCSNQZSA-N 1 0 493.656 3.994 20 30 JHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001307045461 1069782568 /nfs/dbraw/zinc/78/25/68/1069782568.db2.gz JNEVLMQWWSIDHI-UHFFFAOYSA-N 1 0 467.618 3.652 20 30 JHEDRO CCC[NH+]1CCC(Cn2c(N3CCC[C@@](C)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001307047676 1069790822 /nfs/dbraw/zinc/79/08/22/1069790822.db2.gz XXAYEZYCTXOXKE-DQEYMECFSA-N 1 0 458.651 3.571 20 30 JHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@](F)(C#N)C1 ZINC001307053515 1069812911 /nfs/dbraw/zinc/81/29/11/1069812911.db2.gz DDOHSBBAJJCUJE-UUOWRZLLSA-N 1 0 456.566 3.669 20 30 JHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N ZINC001307054858 1069818392 /nfs/dbraw/zinc/81/83/92/1069818392.db2.gz NSLFCJOCIQRRIV-NQIIRXRSSA-N 1 0 472.037 3.864 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 ZINC001307057251 1069832955 /nfs/dbraw/zinc/83/29/55/1069832955.db2.gz XFDBLKCBNWSZAA-XUVXKRRUSA-N 1 0 456.566 3.550 20 30 JHEDRO COc1ccc(CNC(=O)NCCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)cc1C#N ZINC001312404360 1069911999 /nfs/dbraw/zinc/91/19/99/1069911999.db2.gz JUPXESVRTUOXQR-WOJBJXKFSA-N 1 0 450.583 3.575 20 30 JHEDRO CCc1ccc([C@H](CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[NH+](CC)CC)cc1 ZINC001312469597 1069956538 /nfs/dbraw/zinc/95/65/38/1069956538.db2.gz LYKNFYRBHAEVSV-VSKRKVRLSA-N 1 0 457.619 3.690 20 30 JHEDRO COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC(CCC[NH+](C)C)CC2)cc1 ZINC001307588702 1070067718 /nfs/dbraw/zinc/06/77/18/1070067718.db2.gz GNMXBTTYZLFILY-UHFFFAOYSA-N 1 0 451.615 3.967 20 30 JHEDRO CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001314348109 1070156854 /nfs/dbraw/zinc/15/68/54/1070156854.db2.gz CFLWANSPTQFLQM-OYRHEFFESA-N 1 0 496.656 3.622 20 30 JHEDRO CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314373856 1070211996 /nfs/dbraw/zinc/21/19/96/1070211996.db2.gz GVHWYUIDKRLXDL-QHCPKHFHSA-N 1 0 479.654 3.767 20 30 JHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)c1C#N ZINC001307939143 1070250488 /nfs/dbraw/zinc/25/04/88/1070250488.db2.gz QVFCOOVJBTXVKF-QFIPXVFZSA-N 1 0 455.647 3.996 20 30 JHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4F)C3)CC2)cc1 ZINC001313118760 1070257083 /nfs/dbraw/zinc/25/70/83/1070257083.db2.gz HEZCLKRTJXGHNX-NRFANRHFSA-N 1 0 455.965 3.847 20 30 JHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4F)C3)CC2)cc1 ZINC001313118761 1070257232 /nfs/dbraw/zinc/25/72/32/1070257232.db2.gz HEZCLKRTJXGHNX-OAQYLSRUSA-N 1 0 455.965 3.847 20 30 JHEDRO CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314408916 1070273558 /nfs/dbraw/zinc/27/35/58/1070273558.db2.gz RJYSHSXPCIHAEQ-AMZDPNTKSA-N 1 0 466.630 3.775 20 30 JHEDRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@@H]2OC)C[C@@H]1CC ZINC001314496700 1070418956 /nfs/dbraw/zinc/41/89/56/1070418956.db2.gz RUTIROQHZZHBQT-HJOGWXRNSA-N 1 0 466.630 3.569 20 30 JHEDRO Cn1cc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H](c2ccccc2Cl)[NH+](C)C)cn1 ZINC001314652504 1070763094 /nfs/dbraw/zinc/76/30/94/1070763094.db2.gz ZMYGSGOWCLIROQ-FQEVSTJZSA-N 1 0 452.994 3.765 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001314665041 1070796199 /nfs/dbraw/zinc/79/61/99/1070796199.db2.gz KHYVVPCGTOFVDA-FQEVSTJZSA-N 1 0 481.645 3.756 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2C#N)CC1 ZINC001313659497 1070862828 /nfs/dbraw/zinc/86/28/28/1070862828.db2.gz IKQUHFLLIQIMEV-IBGZPJMESA-N 1 0 479.032 3.922 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 ZINC001313662185 1070869854 /nfs/dbraw/zinc/86/98/54/1070869854.db2.gz PFMBIZBRIKGDED-NZQKXSOJSA-N 1 0 460.630 3.740 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001313671058 1070898917 /nfs/dbraw/zinc/89/89/17/1070898917.db2.gz NWHXMUNVHZDEKD-OAQYLSRUSA-N 1 0 473.625 3.914 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 ZINC001313674062 1070909946 /nfs/dbraw/zinc/90/99/46/1070909946.db2.gz MKKRLYIBBLSXRZ-RTWAWAEBSA-N 1 0 496.637 3.836 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 ZINC001313675995 1070919499 /nfs/dbraw/zinc/91/94/99/1070919499.db2.gz SQPDWJUWTRNLAV-FGZHOGPDSA-N 1 0 484.601 3.870 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)c1ccsc1 ZINC001313675367 1070915882 /nfs/dbraw/zinc/91/58/82/1070915882.db2.gz SJYYABPMEROZSM-JOCHJYFZSA-N 1 0 477.638 3.663 20 30 JHEDRO CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[NH+]1CCC(O)CC1 ZINC001314727517 1070938225 /nfs/dbraw/zinc/93/82/25/1070938225.db2.gz YNFSWJPEQKDLSA-DNQXCXABSA-N 1 0 480.657 3.552 20 30 JHEDRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@H]2C)CC1 ZINC001313697747 1070968172 /nfs/dbraw/zinc/96/81/72/1070968172.db2.gz STUVRRWUKPPXKO-FQRUVTKNSA-N 1 0 466.630 3.590 20 30 JHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCCC2(C)C)C1 ZINC001313710163 1071003711 /nfs/dbraw/zinc/00/37/11/1071003711.db2.gz VKUMJJQDRJCXTI-AMGIVPHBSA-N 1 0 480.657 3.838 20 30 JHEDRO CC[NH+](CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001313712425 1071008996 /nfs/dbraw/zinc/00/89/96/1071008996.db2.gz PNNBIUZMAOPAGT-UGKGYDQZSA-N 1 0 481.645 3.898 20 30 JHEDRO CC[NH+](CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001313711807 1071007060 /nfs/dbraw/zinc/00/70/60/1071007060.db2.gz HKBVPCZZMGOORJ-UHFFFAOYSA-N 1 0 489.624 3.721 20 30 JHEDRO CN(Cc1ncc(Cl)n1C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314772722 1071039690 /nfs/dbraw/zinc/03/96/90/1071039690.db2.gz BYRDZRYTFCFIEW-LJQANCHMSA-N 1 0 494.987 3.648 20 30 JHEDRO CCN(C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CC2)[NH+](C)C)C1)CC(F)(F)F ZINC001313784803 1071157567 /nfs/dbraw/zinc/15/75/67/1071157567.db2.gz HDPZVFDROPCQGS-KNQAVFIVSA-N 1 0 489.590 3.867 20 30 JHEDRO C[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC001314858794 1071245809 /nfs/dbraw/zinc/24/58/09/1071245809.db2.gz QEQHYHASXPAJAG-HXUWFJFHSA-N 1 0 462.520 3.849 20 30 JHEDRO CC[N@H+](CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)Cc1cccc(C#N)c1)C(C)C ZINC001313815618 1071261145 /nfs/dbraw/zinc/26/11/45/1071261145.db2.gz REAOPNFDTRLQKK-UHFFFAOYSA-N 1 0 487.656 3.690 20 30 JHEDRO C[N@H+](CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1)C1CCCC1 ZINC001314864507 1071263216 /nfs/dbraw/zinc/26/32/16/1071263216.db2.gz BIONEQJYHXQVQF-UQBPGWFLSA-N 1 0 489.640 3.709 20 30 JHEDRO CC[N@H+](CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1)CCC(F)(F)F ZINC001313818305 1071268009 /nfs/dbraw/zinc/26/80/09/1071268009.db2.gz VDSHFFJBRDYAMJ-FQEVSTJZSA-N 1 0 478.519 3.805 20 30 JHEDRO CC[N@H+](CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCC(C)(C#N)CC1)C1CC1 ZINC001313821542 1071283147 /nfs/dbraw/zinc/28/31/47/1071283147.db2.gz DFTVJCHRWBSHAG-KDURUIRLSA-N 1 0 471.650 3.663 20 30 JHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NCC3(O)CC[NH+](Cc4ccccc4)CC3)c2)nc1 ZINC001310351418 1071331223 /nfs/dbraw/zinc/33/12/23/1071331223.db2.gz YJJLNHWWZJTFSL-UHFFFAOYSA-N 1 0 457.534 3.894 20 30 JHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001313891912 1071485412 /nfs/dbraw/zinc/48/54/12/1071485412.db2.gz ALNWJFSQPDHLKH-LAUBAEHRSA-N 1 0 460.424 3.660 20 30 JHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001313897264 1071501767 /nfs/dbraw/zinc/50/17/67/1071501767.db2.gz WQKFXUWPAFNRQA-QFIPXVFZSA-N 1 0 479.629 3.795 20 30 JHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001313897618 1071503464 /nfs/dbraw/zinc/50/34/64/1071503464.db2.gz ZRIGVBFKJTWLBO-GGAORHGYSA-N 1 0 477.657 3.680 20 30 JHEDRO CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC001315028615 1071556484 /nfs/dbraw/zinc/55/64/84/1071556484.db2.gz ICWXMNNVSYDGLZ-QHCPKHFHSA-N 1 0 463.630 3.576 20 30 JHEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@@H](C)CC#N)CC1 ZINC001313922346 1071564290 /nfs/dbraw/zinc/56/42/90/1071564290.db2.gz WAAVAPPWPRFQHT-HOTGVXAUSA-N 1 0 480.480 3.533 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001313935420 1071606017 /nfs/dbraw/zinc/60/60/17/1071606017.db2.gz ZPRJCGWKVHZJTQ-KNQAVFIVSA-N 1 0 479.629 3.747 20 30 JHEDRO CCN1CC[NH+](CCCCn2c(CCc3ccccc3)nnc2N2CCC[C@](C)(C#N)C2)CC1 ZINC001313953433 1071648397 /nfs/dbraw/zinc/64/83/97/1071648397.db2.gz DYBYRTPKWUTQRO-HHHXNRCGSA-N 1 0 463.674 3.611 20 30 JHEDRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001313957272 1071659996 /nfs/dbraw/zinc/65/99/96/1071659996.db2.gz QIKUZPLSBHLXKV-DEOSSOPVSA-N 1 0 493.700 3.878 20 30 JHEDRO CCc1ccc([C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)[NH+](C)C)cc1 ZINC001305922060 1068218209 /nfs/dbraw/zinc/21/82/09/1068218209.db2.gz YUEWCAZGNBQDIS-UARRHKHWSA-N 1 0 480.657 3.791 20 30 JHEDRO CCc1ccc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@@H](C)[NH+](CC)CC)cc1 ZINC001305944727 1068257623 /nfs/dbraw/zinc/25/76/23/1068257623.db2.gz NWYKDDHHSXIQRG-OAQYLSRUSA-N 1 0 472.641 3.831 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001306326503 1068764350 /nfs/dbraw/zinc/76/43/50/1068764350.db2.gz YPGAKUQTZHRMJI-RBBKRZOGSA-N 1 0 466.630 3.997 20 30 JHEDRO CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001306455365 1068978338 /nfs/dbraw/zinc/97/83/38/1068978338.db2.gz ZFTZTXOSCQKVTN-GOTSBHOMSA-N 1 0 466.630 3.712 20 30 JHEDRO Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC001310799379 1069168358 /nfs/dbraw/zinc/16/83/58/1069168358.db2.gz CDRAOAAVISAICL-UHFFFAOYSA-N 1 0 457.600 3.804 20 30 JHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC001310961639 1069234653 /nfs/dbraw/zinc/23/46/53/1069234653.db2.gz VZCAMPFJGRSQCS-UHFFFAOYSA-N 1 0 457.538 3.523 20 30 JHEDRO CC(C)N(C)Cc1nn(-c2nc(C#C[Si](C)(C)C)ccc2NC(=O)C(C)(C)C)c2c1CC[NH2+]C2 ZINC001164683587 719631417 /nfs/dbraw/zinc/63/14/17/719631417.db2.gz TUPXUVCRVFYFMQ-UHFFFAOYSA-N 1 0 480.733 3.967 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3[nH]ccc4ncc(C#N)c3-4)CC2)c2ccccc21 ZINC001164680371 719675782 /nfs/dbraw/zinc/67/57/82/719675782.db2.gz DCPBZOSASLRRTR-LJQANCHMSA-N 1 0 456.594 3.528 20 30 JHEDRO CNC(=O)C[N@@H+]1CCCC12CCN(C(F)(F)c1cnc(Cl)c(-c3cccc(C#N)c3)c1)CC2 ZINC001164690400 719759229 /nfs/dbraw/zinc/75/92/29/719759229.db2.gz BMUGETPVCVTBCK-UHFFFAOYSA-N 1 0 473.955 3.999 20 30 JHEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164693528 719813771 /nfs/dbraw/zinc/81/37/71/719813771.db2.gz WCNAYYIMTBWPFO-IBGZPJMESA-N 1 0 476.606 3.810 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164808103 720137941 /nfs/dbraw/zinc/13/79/41/720137941.db2.gz DOWPLSLRWOLOJF-JTSKRJEESA-N 1 0 482.959 3.513 20 30 JHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccccc1C#N)C2 ZINC001164815283 720197530 /nfs/dbraw/zinc/19/75/30/720197530.db2.gz YHBLTYFHEPZHAM-DVECYGJZSA-N 1 0 453.974 3.979 20 30 JHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccc(C#N)cc1)C2 ZINC001164812053 720198236 /nfs/dbraw/zinc/19/82/36/720198236.db2.gz KRWWINGOVDKJKQ-CYFREDJKSA-N 1 0 453.974 3.979 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc(COc3ccc(CC#N)cc3)cn2)CC1 ZINC001164828398 720341085 /nfs/dbraw/zinc/34/10/85/720341085.db2.gz OQPATNFLQDGFKS-CLJLJLNGSA-N 1 0 473.621 3.638 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc3cc(F)c(F)cc3c(Cl)c2C#N)CC1 ZINC001164826717 720357442 /nfs/dbraw/zinc/35/74/42/720357442.db2.gz KUJVWPQGFWMKFN-SFTDATJTSA-N 1 0 473.955 3.950 20 30 JHEDRO N#Cc1cc(C(F)(F)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)cc(Cl)n1 ZINC001164844296 720742227 /nfs/dbraw/zinc/74/22/27/720742227.db2.gz OUSKRDNCQWFPLW-UHFFFAOYSA-N 1 0 455.900 3.509 20 30 JHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001164745318 720858869 /nfs/dbraw/zinc/85/88/69/720858869.db2.gz DBAYMSUBYXASBO-KCZVDYSFSA-N 1 0 490.999 3.765 20 30 JHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745429 720860478 /nfs/dbraw/zinc/86/04/78/720860478.db2.gz DLFOIPOQYQXTJR-RADWXHQJSA-N 1 0 465.964 3.870 20 30 JHEDRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(C#N)cc4)c3)CC[C@H]2C1 ZINC001164856954 720892559 /nfs/dbraw/zinc/89/25/59/720892559.db2.gz INBAKYYACQFKIF-UGKGYDQZSA-N 1 0 476.955 3.992 20 30 JHEDRO N#C[C@@H](c1nc2ccccc2nc1N1CC2(C1)CC[N@H+](CC1CC1)C2)S(=O)(=O)c1ccccc1 ZINC001164769795 721297686 /nfs/dbraw/zinc/29/76/86/721297686.db2.gz NETSBVDTDZDKEQ-QHCPKHFHSA-N 1 0 473.602 3.590 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1ccc(Cl)nc1C#N)CC2 ZINC001164785290 721455690 /nfs/dbraw/zinc/45/56/90/721455690.db2.gz IGXNXDRJQFMYLH-GOSISDBHSA-N 1 0 468.976 3.885 20 30 JHEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165021206 721843625 /nfs/dbraw/zinc/84/36/25/721843625.db2.gz HWGLSJGPGUMXHV-IBGZPJMESA-N 1 0 489.576 3.528 20 30 JHEDRO C[NH+](C)[C@@H]1CCCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001165037840 721895421 /nfs/dbraw/zinc/89/54/21/721895421.db2.gz ZMRVGRGIVHSDEG-UTKZUKDTSA-N 1 0 469.998 3.852 20 30 JHEDRO Cc1nc(C#Cc2ccnc(N3C[C@@H]4C[N@@H+](CC5CC5)C[C@H](C3)O4)c2)c(C)n1-c1ccc(F)cc1 ZINC001164966750 722072072 /nfs/dbraw/zinc/07/20/72/722072072.db2.gz ARXBUXCAPPRZPU-WMPKNSHKSA-N 1 0 471.580 3.722 20 30 JHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nn2)cc1 ZINC001164984283 722102746 /nfs/dbraw/zinc/10/27/46/722102746.db2.gz SBROEIYUKBPFNQ-KYPHJKQUSA-N 1 0 454.578 3.563 20 30 JHEDRO CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995565 722210536 /nfs/dbraw/zinc/21/05/36/722210536.db2.gz JSIBSPOFRHBSGI-CPJSRVTESA-N 1 0 451.546 3.809 20 30 JHEDRO CCCCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC001306660058 1069378181 /nfs/dbraw/zinc/37/81/81/1069378181.db2.gz HDQNMSHSWYZCGZ-DEOSSOPVSA-N 1 0 477.657 3.824 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 ZINC001306682209 1069412533 /nfs/dbraw/zinc/41/25/33/1069412533.db2.gz CVIFEWKXVLSNCP-UHFFFAOYSA-N 1 0 489.624 3.721 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 ZINC001306684784 1069419964 /nfs/dbraw/zinc/41/99/64/1069419964.db2.gz STZPYRUAYOCBFK-HSZRJFAPSA-N 1 0 460.630 3.741 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 ZINC001306684785 1069420199 /nfs/dbraw/zinc/42/01/99/1069420199.db2.gz STZPYRUAYOCBFK-QHCPKHFHSA-N 1 0 460.630 3.741 20 30 JHEDRO CCCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1OC ZINC001306748887 1069540203 /nfs/dbraw/zinc/54/02/03/1069540203.db2.gz MSZVTVZPINVPAM-JOCHJYFZSA-N 1 0 496.656 3.983 20 30 JHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC001311820960 1069560220 /nfs/dbraw/zinc/56/02/20/1069560220.db2.gz UYDIOOYLLYVANO-GHTZIAJQSA-N 1 0 453.562 3.819 20 30 JHEDRO CCC[N@H+](CC)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC#N ZINC001306804370 1069613586 /nfs/dbraw/zinc/61/35/86/1069613586.db2.gz NOHVQTGFIPPIEZ-VQTJNVASSA-N 1 0 461.655 3.863 20 30 JHEDRO CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1OC ZINC001314174802 1069699915 /nfs/dbraw/zinc/69/99/15/1069699915.db2.gz BKNGGEHCRMRMET-RUZDIDTESA-N 1 0 470.593 3.916 20 30 JHEDRO CCOc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC001314175228 1069700993 /nfs/dbraw/zinc/70/09/93/1069700993.db2.gz XZPICUOLIHOTQI-MHZLTWQESA-N 1 0 495.672 3.508 20 30 JHEDRO CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001314177823 1069712572 /nfs/dbraw/zinc/71/25/72/1069712572.db2.gz RPZYLDJGBHDVSC-CLOONOSVSA-N 1 0 470.593 3.915 20 30 JHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001307032568 1069745618 /nfs/dbraw/zinc/74/56/18/1069745618.db2.gz DXHLNDMAGPOLIH-UYAOXDASSA-N 1 0 475.563 3.621 20 30 JHEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001307037699 1069759068 /nfs/dbraw/zinc/75/90/68/1069759068.db2.gz FROAGTXENFCXTJ-IRLDBZIGSA-N 1 0 493.656 3.994 20 30 JHEDRO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001312181082 1069769094 /nfs/dbraw/zinc/76/90/94/1069769094.db2.gz XEOFTURWUYIAIR-QFIPXVFZSA-N 1 0 457.619 3.761 20 30 JHEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(=O)C(F)(F)F)CC2)C1 ZINC001307040852 1069768452 /nfs/dbraw/zinc/76/84/52/1069768452.db2.gz YTRHLGLJRFNPKS-SFHVURJKSA-N 1 0 474.531 3.896 20 30 JHEDRO CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](c2cccs2)[NH+](C)C)cc1 ZINC001314201153 1069794545 /nfs/dbraw/zinc/79/45/45/1069794545.db2.gz IYKCUDDKDGFALD-BVYCBKJFSA-N 1 0 496.637 3.910 20 30 JHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CC2(C(=O)N(C)C)CCCC2)CC1 ZINC001307049403 1069797537 /nfs/dbraw/zinc/79/75/37/1069797537.db2.gz JSFUQCQBDMAEPC-UHFFFAOYSA-N 1 0 477.657 3.776 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@](F)(C#N)C1 ZINC001307053513 1069813392 /nfs/dbraw/zinc/81/33/92/1069813392.db2.gz DDOHSBBAJJCUJE-KOSHJBKYSA-N 1 0 456.566 3.669 20 30 JHEDRO CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001314204333 1069811624 /nfs/dbraw/zinc/81/16/24/1069811624.db2.gz XEYIEYOHOTYVFG-NFBKMPQASA-N 1 0 482.629 3.810 20 30 JHEDRO CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001314204335 1069812207 /nfs/dbraw/zinc/81/22/07/1069812207.db2.gz XEYIEYOHOTYVFG-OFNKIYASSA-N 1 0 482.629 3.810 20 30 JHEDRO CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)CC1=O ZINC001307064139 1069865462 /nfs/dbraw/zinc/86/54/62/1069865462.db2.gz LEKRDGZSWGIISG-JOCHJYFZSA-N 1 0 477.657 3.778 20 30 JHEDRO CCN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001312484852 1069964405 /nfs/dbraw/zinc/96/44/05/1069964405.db2.gz CRYMZPYQESLEQT-DCEDVJGZSA-N 1 0 459.594 3.921 20 30 JHEDRO N#Cc1cc2c(n(CC(=O)Nc3ccc(F)cc3Cl)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC001307372966 1069964724 /nfs/dbraw/zinc/96/47/24/1069964724.db2.gz GGHZQLFSHHOULZ-UHFFFAOYSA-N 1 0 450.901 3.709 20 30 JHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)cc1 ZINC001307571432 1070057119 /nfs/dbraw/zinc/05/71/19/1070057119.db2.gz IJVSTZPAIYYMDE-QGZVFWFLSA-N 1 0 455.356 3.505 20 30 JHEDRO CCOCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001314286792 1070060810 /nfs/dbraw/zinc/06/08/10/1070060810.db2.gz POPCBBFSVYOYQB-DHIUTWEWSA-N 1 0 493.700 3.874 20 30 JHEDRO C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C[C@H](O)c1cccc(Br)c1 ZINC001307838097 1070206369 /nfs/dbraw/zinc/20/63/69/1070206369.db2.gz ARZIBGOQOJCJND-XLIONFOSSA-N 1 0 451.324 3.652 20 30 JHEDRO Cc1ccc(NC(=O)C[NH2+]C(C)(C)c2cccc(C#N)c2)cc1S(=O)(=O)N1CCCCC1 ZINC001307922678 1070244200 /nfs/dbraw/zinc/24/42/00/1070244200.db2.gz AYUJWYBPMBUBCV-UHFFFAOYSA-N 1 0 454.596 3.505 20 30 JHEDRO 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 1070250417 /nfs/dbraw/zinc/25/04/17/1070250417.db2.gz PGSRVMSBDTURBR-SUNKGSAMSA-N 1 0 458.390 3.960 20 30 JHEDRO Cc1nsc(N2CCN(C(=O)N[C@@H]3CCCCC[N@H+](Cc4ccccc4)C3)CC2)c1C#N ZINC001313138484 1070266416 /nfs/dbraw/zinc/26/64/16/1070266416.db2.gz JFLCGNIXEYLLPW-OAQYLSRUSA-N 1 0 452.628 3.600 20 30 JHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC001308069865 1070302148 /nfs/dbraw/zinc/30/21/48/1070302148.db2.gz GYSFXDQFRGPABM-APWZRJJASA-N 1 0 451.527 3.615 20 30 JHEDRO 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 1070322107 /nfs/dbraw/zinc/32/21/07/1070322107.db2.gz QLWUSCPDOMHYBB-AEGPPILISA-N 1 0 458.349 3.595 20 30 JHEDRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCO[C@@H](C)C2)C[C@H]1CC ZINC001314496494 1070417936 /nfs/dbraw/zinc/41/79/36/1070417936.db2.gz RJYHPYLSURGGDA-SGIRGMQISA-N 1 0 480.657 3.959 20 30 JHEDRO CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001313479504 1070491005 /nfs/dbraw/zinc/49/10/05/1070491005.db2.gz VGGVRQYZJNQOOX-GGAORHGYSA-N 1 0 477.657 3.824 20 30 JHEDRO CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC001313520663 1070586798 /nfs/dbraw/zinc/58/67/98/1070586798.db2.gz FISBGZAYMLJYEG-AREMUKBSSA-N 1 0 493.700 3.876 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](F)(C#N)C1)c1ccc(F)cc1 ZINC001314649473 1070755990 /nfs/dbraw/zinc/75/59/90/1070755990.db2.gz WCJNVTCKVQIPJF-GCJKJVERSA-N 1 0 457.916 3.877 20 30 JHEDRO C[NH+](C)[C@]1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CC[C@](F)(C#N)C2)CCSC1 ZINC001314654216 1070768318 /nfs/dbraw/zinc/76/83/18/1070768318.db2.gz XGHMEIWTOBHBQC-PMACEKPBSA-N 1 0 497.413 3.726 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@](C)(C#N)C1)C1CCCCC1 ZINC001314654587 1070769187 /nfs/dbraw/zinc/76/91/87/1070769187.db2.gz KIMSVWWGKUCJOB-CPJSRVTESA-N 1 0 483.686 3.910 20 30 JHEDRO C[NH+](C)C1(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 ZINC001314657968 1070777910 /nfs/dbraw/zinc/77/79/10/1070777910.db2.gz MESJHAAURBGQQR-OAQYLSRUSA-N 1 0 497.402 3.717 20 30 JHEDRO C[NH+](C)C1(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC(CC#N)CC2)CCC1 ZINC001314659281 1070781231 /nfs/dbraw/zinc/78/12/31/1070781231.db2.gz CKWRQGVIXHGLJJ-FQEVSTJZSA-N 1 0 471.650 3.964 20 30 JHEDRO CN(C)CC[NH+]1CCC(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C#N)CC2)CC1 ZINC001314671994 1070816144 /nfs/dbraw/zinc/81/61/44/1070816144.db2.gz OGBGLDQCANWBCN-UHFFFAOYSA-N 1 0 486.064 3.524 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001313657282 1070854370 /nfs/dbraw/zinc/85/43/70/1070854370.db2.gz KVNLGZNEUIMFGZ-DOTOQJQBSA-N 1 0 492.491 3.676 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@](C)(C#N)C1)c1ccsc1 ZINC001313671429 1070899408 /nfs/dbraw/zinc/89/94/08/1070899408.db2.gz IZACCYQXYBJABW-OFNKIYASSA-N 1 0 452.632 3.953 20 30 JHEDRO CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC[N@@H+]1CCCC(C)(C)C1 ZINC001314730053 1070946699 /nfs/dbraw/zinc/94/66/99/1070946699.db2.gz SAOPWZNFQRIEIM-UHFFFAOYSA-N 1 0 472.597 3.555 20 30 JHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)C1 ZINC001313702049 1070982057 /nfs/dbraw/zinc/98/20/57/1070982057.db2.gz LVLPZKBOMYHPLX-MQFAKOPTSA-N 1 0 456.660 3.532 20 30 JHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)C1 ZINC001313702050 1070982205 /nfs/dbraw/zinc/98/22/05/1070982205.db2.gz LVLPZKBOMYHPLX-QTYPKTMWSA-N 1 0 456.660 3.532 20 30 JHEDRO CC[NH+](CC)Cc1cccc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)c1 ZINC001313702466 1070984313 /nfs/dbraw/zinc/98/43/13/1070984313.db2.gz JASALSWRZJNWSO-QFIPXVFZSA-N 1 0 450.612 3.549 20 30 JHEDRO CN(C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC001314802099 1071084376 /nfs/dbraw/zinc/08/43/76/1071084376.db2.gz ZWCIAWZHTCQJJS-JOCHJYFZSA-N 1 0 493.656 3.996 20 30 JHEDRO CC[N@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@](C)(C#N)C1)C(C)C ZINC001313805115 1071218765 /nfs/dbraw/zinc/21/87/65/1071218765.db2.gz NHQGXDVYOCPEGE-OAQYLSRUSA-N 1 0 462.440 3.906 20 30 JHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1)CCC(F)(F)F ZINC001313806847 1071226730 /nfs/dbraw/zinc/22/67/30/1071226730.db2.gz ZTTQWHOAUHPMTH-FXAWDEMLSA-N 1 0 464.536 3.952 20 30 JHEDRO CC[NH+](CC)CCOc1cc(NC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)ccc1OC ZINC001310246297 1071234062 /nfs/dbraw/zinc/23/40/62/1071234062.db2.gz HGKVDSLURJDILQ-XMMPIXPASA-N 1 0 452.555 3.893 20 30 JHEDRO Cn1cc(CCCn2c(CC(C)(C)C)nnc2N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC001314904552 1071342522 /nfs/dbraw/zinc/34/25/22/1071342522.db2.gz YTTOZHUORNNGAC-UHFFFAOYSA-N 1 0 474.657 3.817 20 30 JHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313869024 1071407462 /nfs/dbraw/zinc/40/74/62/1071407462.db2.gz PLUUHPGBNHISLH-MSOLQXFVSA-N 1 0 463.552 3.620 20 30 JHEDRO C[NH+](C)CCOc1ccc(CCNC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cc1 ZINC001310465799 1071408234 /nfs/dbraw/zinc/40/82/34/1071408234.db2.gz FWJPIGAREUDTET-UHFFFAOYSA-N 1 0 452.946 3.702 20 30 JHEDRO 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 1071427920 /nfs/dbraw/zinc/42/79/20/1071427920.db2.gz GUGKZKKMZCTQPV-ISJBWFOZSA-N 1 0 468.646 3.835 20 30 JHEDRO 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 1071447731 /nfs/dbraw/zinc/44/77/31/1071447731.db2.gz XXBNFCANPIOPNQ-CUVVAGTFSA-N 1 0 466.630 3.589 20 30 JHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2Cl)C[C@@H]1C ZINC001313879377 1071449265 /nfs/dbraw/zinc/44/92/65/1071449265.db2.gz ZOUGEONCFVYQSW-OALUTQOASA-N 1 0 496.015 3.775 20 30 JHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2Cl)C[C@@H]1C ZINC001313879379 1071449951 /nfs/dbraw/zinc/44/99/51/1071449951.db2.gz ZOUGEONCFVYQSW-RBUKOAKNSA-N 1 0 496.015 3.775 20 30 JHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001313886041 1071468303 /nfs/dbraw/zinc/46/83/03/1071468303.db2.gz LBNQBWUWGQHLLY-MHECFPHRSA-N 1 0 456.566 3.525 20 30 JHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313895890 1071498831 /nfs/dbraw/zinc/49/88/31/1071498831.db2.gz LJVWHDVMXOVKSU-YADHBBJMSA-N 1 0 479.629 3.795 20 30 JHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001313907986 1071528793 /nfs/dbraw/zinc/52/87/93/1071528793.db2.gz KYXGLDYYYKLZDF-PKTZIBPZSA-N 1 0 477.657 3.822 20 30 JHEDRO CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001315021033 1071542188 /nfs/dbraw/zinc/54/21/88/1071542188.db2.gz KHYQKGWJCYFXQM-NFQMXDRXSA-N 1 0 477.657 3.680 20 30 JHEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001313920786 1071560017 /nfs/dbraw/zinc/56/00/17/1071560017.db2.gz MJGXRVGKRWZDOK-VQTJNVASSA-N 1 0 469.703 3.897 20 30 JHEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001313920788 1071560061 /nfs/dbraw/zinc/56/00/61/1071560061.db2.gz MJGXRVGKRWZDOK-WOJBJXKFSA-N 1 0 469.703 3.897 20 30 JHEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001313922484 1071564486 /nfs/dbraw/zinc/56/44/86/1071564486.db2.gz WTRXMHHYLHNROM-FYYLOGMGSA-N 1 0 488.684 3.975 20 30 JHEDRO CC[NH+]1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001313927229 1071579390 /nfs/dbraw/zinc/57/93/90/1071579390.db2.gz JAQPSEHIAXRKKE-HSZRJFAPSA-N 1 0 479.673 3.630 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C ZINC001313932770 1071596105 /nfs/dbraw/zinc/59/61/05/1071596105.db2.gz MAUCQQGJGFJYHB-FQEVSTJZSA-N 1 0 491.640 3.914 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313935421 1071605973 /nfs/dbraw/zinc/60/59/73/1071605973.db2.gz ZPRJCGWKVHZJTQ-SIKLNZKXSA-N 1 0 479.629 3.747 20 30 JHEDRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCSCC(C)C)C2)CC1 ZINC001313944436 1071625048 /nfs/dbraw/zinc/62/50/48/1071625048.db2.gz CAMBOZSGPWLBGR-XMMPIXPASA-N 1 0 481.714 3.812 20 30 JHEDRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001314012876 1071749156 /nfs/dbraw/zinc/74/91/56/1071749156.db2.gz AKQGZSQFQCGNOU-QFIPXVFZSA-N 1 0 493.656 3.994 20 30 JHEDRO CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC2CC[NH+](CCC(C)C)CC2)CCOC1 ZINC001314110934 1072004502 /nfs/dbraw/zinc/00/45/02/1072004502.db2.gz XLZPYAYBEODOMO-AREMUKBSSA-N 1 0 472.678 3.818 20 30 JHEDRO CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001305941329 1068250492 /nfs/dbraw/zinc/25/04/92/1068250492.db2.gz QKAXGDRTMMZZME-WNCULLNHSA-N 1 0 477.657 3.580 20 30 JHEDRO CCc1ccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@@H](C)[NH+](CC)CC)cc1 ZINC001305945256 1068258707 /nfs/dbraw/zinc/25/87/07/1068258707.db2.gz RKEMHSPFFZASBW-OAQYLSRUSA-N 1 0 472.641 3.831 20 30 JHEDRO CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[N@@H+](CC)[C@@H](C)C2)cs1 ZINC001306025626 1068420242 /nfs/dbraw/zinc/42/02/42/1068420242.db2.gz OXVIBYTUSKCCLS-SFHVURJKSA-N 1 0 465.627 3.521 20 30 JHEDRO CCc1nn(C)c(CC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC001306045019 1068465487 /nfs/dbraw/zinc/46/54/87/1068465487.db2.gz JZEOHFXOPASRSW-WOJBJXKFSA-N 1 0 490.656 3.554 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 ZINC001306318991 1068743314 /nfs/dbraw/zinc/74/33/14/1068743314.db2.gz QJKYIPFRTBPCCW-AQNXPRMDSA-N 1 0 456.566 3.550 20 30 JHEDRO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](CC)CCC(F)(F)F)CCO1 ZINC001306404703 1068870458 /nfs/dbraw/zinc/87/04/58/1068870458.db2.gz LHTNSUORCNWMAM-LJQANCHMSA-N 1 0 450.509 3.706 20 30 JHEDRO CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2sc(C)nc2C)CC[N@@H+]1CCOC ZINC001306405457 1068873690 /nfs/dbraw/zinc/87/36/90/1068873690.db2.gz OQJFTNWGDMUFKD-QFIPXVFZSA-N 1 0 479.654 3.680 20 30 JHEDRO CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001306455363 1068977905 /nfs/dbraw/zinc/97/79/05/1068977905.db2.gz ZFTZTXOSCQKVTN-DHIUTWEWSA-N 1 0 466.630 3.712 20 30 JHEDRO CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CCO1 ZINC001306455369 1068978553 /nfs/dbraw/zinc/97/85/53/1068978553.db2.gz ZFTZTXOSCQKVTN-XZOQPEGZSA-N 1 0 466.630 3.712 20 30 JHEDRO Cc1cc(NC(=O)N(Cc2ccccc2Br)C2CC[NH+](C)CC2)nn1CCC#N ZINC001310499024 1068984029 /nfs/dbraw/zinc/98/40/29/1068984029.db2.gz HQHGWAYOHRMJOZ-UHFFFAOYSA-N 1 0 459.392 3.996 20 30 JHEDRO 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 1069015937 /nfs/dbraw/zinc/01/59/37/1069015937.db2.gz MTRQNEIHZGEQAT-ZGXWSNOMSA-N 1 0 454.596 3.888 20 30 JHEDRO CCC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)OC ZINC001306591625 1069261484 /nfs/dbraw/zinc/26/14/84/1069261484.db2.gz XRWWONLFHBBVDI-DEOSSOPVSA-N 1 0 459.598 3.739 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1[C@@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413923 718880875 /nfs/dbraw/zinc/88/08/75/718880875.db2.gz ODKHUGOTGVMHBE-CYBMUJFWSA-N 1 0 466.838 3.982 20 30 JHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3Cc4ncnn4C4(CC[NH2+]CC4)C3)cc2c1Cl ZINC001164416189 718885920 /nfs/dbraw/zinc/88/59/20/718885920.db2.gz UDCKAAMZQPDSFV-UHFFFAOYSA-N 1 0 464.307 3.649 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(Cl)ncc3C#N)CC2)c2ccccc21 ZINC001164685179 719658832 /nfs/dbraw/zinc/65/88/32/719658832.db2.gz YLGPICUZRVPYMF-SFHVURJKSA-N 1 0 452.002 3.700 20 30 JHEDRO 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 720563967 /nfs/dbraw/zinc/56/39/67/720563967.db2.gz BELSVKUXUPEVFE-TXPKVOOTSA-N 1 0 464.948 3.734 20 30 JHEDRO N#Cc1nc(Cl)ccc1C(F)(F)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844970 720742814 /nfs/dbraw/zinc/74/28/14/720742814.db2.gz WFTJKBASAUCKLD-UHFFFAOYSA-N 1 0 455.900 3.509 20 30 JHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743495 720811752 /nfs/dbraw/zinc/81/17/52/720811752.db2.gz GEQUIMBRCURAFN-IIDMSEBBSA-N 1 0 482.366 3.776 20 30 JHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1 ZINC001164744728 720858234 /nfs/dbraw/zinc/85/82/34/720858234.db2.gz CFYPOSWUZHAFAI-RZUBCFFCSA-N 1 0 490.999 3.765 20 30 JHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164866425 721197260 /nfs/dbraw/zinc/19/72/60/721197260.db2.gz ADQZUWMTPPTVAV-JKSUJKDBSA-N 1 0 455.896 3.913 20 30 JHEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cc(F)c(C#N)cc4-c4ccnc(Cl)n4)C3)O2)CC1 ZINC001164886310 721414703 /nfs/dbraw/zinc/41/47/03/721414703.db2.gz IXHAFISSORGRBH-KBMIEXCESA-N 1 0 485.007 3.573 20 30 JHEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc5cc(F)ccc5c(Cl)c4C#N)C3)O2)CC1 ZINC001164890004 721452755 /nfs/dbraw/zinc/45/27/55/721452755.db2.gz QDHOEYRWZLOISP-HOYKHHGWSA-N 1 0 457.981 3.664 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165017808 721807212 /nfs/dbraw/zinc/80/72/12/721807212.db2.gz ASTJUFZPZGEIMG-ORYQWCPZSA-N 1 0 453.974 3.915 20 30 JHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982818 722101754 /nfs/dbraw/zinc/10/17/54/722101754.db2.gz PETTULMLBLRXNE-YJBOKZPZSA-N 1 0 468.335 3.927 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 ZINC001306682376 1069413306 /nfs/dbraw/zinc/41/33/06/1069413306.db2.gz FIOACJJAHCYISH-UHFFFAOYSA-N 1 0 489.624 3.849 20 30 JHEDRO CCC[N@H+](CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC001306801788 1069606924 /nfs/dbraw/zinc/60/69/24/1069606924.db2.gz ARGFVOQUCVGFSS-HSZRJFAPSA-N 1 0 475.645 3.674 20 30 JHEDRO CCC[N@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 ZINC001306806638 1069619465 /nfs/dbraw/zinc/61/94/65/1069619465.db2.gz HPKPHNAQFNQDLE-UHFFFAOYSA-N 1 0 484.530 3.920 20 30 JHEDRO CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(C)(C)C[NH+]2CCCC2)cc1OC ZINC001314174889 1069699918 /nfs/dbraw/zinc/69/99/18/1069699918.db2.gz BKNGGEHCRMRMET-VWLOTQADSA-N 1 0 470.593 3.916 20 30 JHEDRO CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC2CC[NH+](CC)CC2)cc1OC ZINC001314176293 1069705076 /nfs/dbraw/zinc/70/50/76/1069705076.db2.gz HCCLULNMMNZPAU-VWLOTQADSA-N 1 0 470.593 3.916 20 30 JHEDRO CCC[NH+]1CCC(Cn2c(N3CCC[C@](C)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001307047677 1069790676 /nfs/dbraw/zinc/79/06/76/1069790676.db2.gz XXAYEZYCTXOXKE-JWQCQUIFSA-N 1 0 458.651 3.571 20 30 JHEDRO CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001314200603 1069792569 /nfs/dbraw/zinc/79/25/69/1069792569.db2.gz HVLDVGQCVIKINL-AGILITTLSA-N 1 0 482.629 3.666 20 30 JHEDRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1 ZINC001307051485 1069804031 /nfs/dbraw/zinc/80/40/31/1069804031.db2.gz OVRLVUPZOVUZMF-UHFFFAOYSA-N 1 0 459.554 3.552 20 30 JHEDRO CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1=O ZINC001307064140 1069865085 /nfs/dbraw/zinc/86/50/85/1069865085.db2.gz LEKRDGZSWGIISG-QFIPXVFZSA-N 1 0 477.657 3.778 20 30 JHEDRO C=CCC[C@@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1C)c1ccc(C(F)(F)F)cc1 ZINC001307618628 1070083919 /nfs/dbraw/zinc/08/39/19/1070083919.db2.gz OYEFGFZMGQZCNQ-GOSISDBHSA-N 1 0 455.502 3.897 20 30 JHEDRO C#C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccc(Cl)cc1 ZINC001312938750 1070190294 /nfs/dbraw/zinc/19/02/94/1070190294.db2.gz UHRSSJLTUMVGCD-NFBKMPQASA-N 1 0 452.002 3.653 20 30 JHEDRO C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001312945651 1070193584 /nfs/dbraw/zinc/19/35/84/1070193584.db2.gz LMXKBRQSFMUDSU-OALUTQOASA-N 1 0 455.603 3.562 20 30 JHEDRO C[C@H]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CN1C(=O)OC(C)(C)C ZINC001312948514 1070194213 /nfs/dbraw/zinc/19/42/13/1070194213.db2.gz WHGMJZRILKSYSJ-PGRDOPGGSA-N 1 0 455.603 3.610 20 30 JHEDRO CCC1([NH+]2CCOCC2)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)CC1 ZINC001307979294 1070267682 /nfs/dbraw/zinc/26/76/82/1070267682.db2.gz JDWMRNXCAQIFHW-UHFFFAOYSA-N 1 0 455.647 3.997 20 30 JHEDRO CCOC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001314417737 1070285161 /nfs/dbraw/zinc/28/51/61/1070285161.db2.gz FIQJEPYGOKHOJU-GGAORHGYSA-N 1 0 466.630 3.571 20 30 JHEDRO C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001308107152 1070313622 /nfs/dbraw/zinc/31/36/22/1070313622.db2.gz JLFWEFQXSKSECN-QFIPXVFZSA-N 1 0 452.574 3.685 20 30 JHEDRO CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CC[C@@H](C)[NH+]2CCCCC2)c2ccccc2c1=O ZINC001313452120 1070381631 /nfs/dbraw/zinc/38/16/31/1070381631.db2.gz FQZIEUFOHCMHHX-NHCUHLMSSA-N 1 0 490.656 3.925 20 30 JHEDRO CCCn1nc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H](C)[NH+](CC)CC)c2ccccc2c1=O ZINC001313456119 1070394865 /nfs/dbraw/zinc/39/48/65/1070394865.db2.gz SUMCQRCRMWYBAX-HXUWFJFHSA-N 1 0 490.656 3.925 20 30 JHEDRO C[C@H]1C[C@H](C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001308623162 1070403914 /nfs/dbraw/zinc/40/39/14/1070403914.db2.gz ISUBDZLCGJICGV-ZWKOTPCHSA-N 1 0 455.559 3.964 20 30 JHEDRO C[C@@H]1C[C@H](C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001308623157 1070404107 /nfs/dbraw/zinc/40/41/07/1070404107.db2.gz ISUBDZLCGJICGV-QZTJIDSGSA-N 1 0 455.559 3.964 20 30 JHEDRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001313460070 1070408697 /nfs/dbraw/zinc/40/86/97/1070408697.db2.gz MPGFIXPAFAMGPT-XZOQPEGZSA-N 1 0 477.657 3.680 20 30 JHEDRO CCCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCC[N@@H+]2CC)cc1OC ZINC001313504751 1070540020 /nfs/dbraw/zinc/54/00/20/1070540020.db2.gz KGBJQSHQHVEDMO-CYFREDJKSA-N 1 0 456.566 3.669 20 30 JHEDRO CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1OC ZINC001313506228 1070546863 /nfs/dbraw/zinc/54/68/63/1070546863.db2.gz WGQCLDLRXYJRPE-GOTSBHOMSA-N 1 0 496.656 3.982 20 30 JHEDRO C[NH+](C)CCN(CCCc1ccccc1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC001309120181 1070550425 /nfs/dbraw/zinc/55/04/25/1070550425.db2.gz ZMWMSTATJZDGMY-UHFFFAOYSA-N 1 0 450.402 3.506 20 30 JHEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)cc(C#N)c2)[C@H]1c1cccs1 ZINC001309221383 1070621039 /nfs/dbraw/zinc/62/10/39/1070621039.db2.gz ZWSKZTKQIHXTQS-KSSFIOAISA-N 1 0 454.415 3.744 20 30 JHEDRO CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC001314629015 1070726228 /nfs/dbraw/zinc/72/62/28/1070726228.db2.gz TWJIVNDJZUCMAR-QHCPKHFHSA-N 1 0 477.657 3.632 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC001314648557 1070752303 /nfs/dbraw/zinc/75/23/03/1070752303.db2.gz KXYGIKBBMUYWMV-JOCHJYFZSA-N 1 0 479.629 3.650 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1)c1cccs1 ZINC001314655312 1070771978 /nfs/dbraw/zinc/77/19/78/1070771978.db2.gz OSTDQFOWLDRCMY-XMSQKQJNSA-N 1 0 458.538 3.803 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(C(C)C)nnc1N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC001313652263 1070829544 /nfs/dbraw/zinc/82/95/44/1070829544.db2.gz ROAOYHXZOWQOCL-SFHVURJKSA-N 1 0 466.590 3.578 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001313657724 1070856768 /nfs/dbraw/zinc/85/67/68/1070856768.db2.gz OCXJGQVOIQITOL-FQEVSTJZSA-N 1 0 461.614 3.771 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@](C)(C#N)C1)c1ccsc1 ZINC001313671427 1070899586 /nfs/dbraw/zinc/89/95/86/1070899586.db2.gz IZACCYQXYBJABW-NFBKMPQASA-N 1 0 452.632 3.953 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1C(C)(C)C)c1ccco1 ZINC001313674462 1070912216 /nfs/dbraw/zinc/91/22/16/1070912216.db2.gz JWGFZLUDCQYZGV-NRFANRHFSA-N 1 0 476.629 3.845 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)c1ccco1 ZINC001313679478 1070935391 /nfs/dbraw/zinc/93/53/91/1070935391.db2.gz QUKJRQLADCCQQP-IRLDBZIGSA-N 1 0 491.644 3.529 20 30 JHEDRO CC[NH+](CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC001313713951 1071011282 /nfs/dbraw/zinc/01/12/82/1071011282.db2.gz FXWPXELQYUMLHI-NRFANRHFSA-N 1 0 462.602 3.699 20 30 JHEDRO CC[NH+](CC)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 ZINC001313720915 1071022185 /nfs/dbraw/zinc/02/21/85/1071022185.db2.gz UWUUVSAFIVSPDN-YLJYHZDGSA-N 1 0 464.536 3.810 20 30 JHEDRO CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001314814113 1071116176 /nfs/dbraw/zinc/11/61/76/1071116176.db2.gz QHSKXLXLNDNZSI-ZJSXRUAMSA-N 1 0 466.630 3.712 20 30 JHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2N(C)C)C1)C(C)C ZINC001313804501 1071215278 /nfs/dbraw/zinc/21/52/78/1071215278.db2.gz AZBFIZAYKVNENN-UHFFFAOYSA-N 1 0 458.614 3.571 20 30 JHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)c2nccs2)CC1)C(C)C ZINC001313806609 1071225074 /nfs/dbraw/zinc/22/50/74/1071225074.db2.gz VVAWVKDGGBOORW-FQEVSTJZSA-N 1 0 478.670 3.887 20 30 JHEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1)C(C)C ZINC001313807337 1071228188 /nfs/dbraw/zinc/22/81/88/1071228188.db2.gz KKKNGKRXSFFQEV-QFIPXVFZSA-N 1 0 479.673 3.926 20 30 JHEDRO CC[N@H+](CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)[C@@H](C)CC#N)C(C)C ZINC001313809297 1071236719 /nfs/dbraw/zinc/23/67/19/1071236719.db2.gz JQHXRVLKJBEFIM-IBGZPJMESA-N 1 0 464.618 3.705 20 30 JHEDRO CC[N@H+](CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCC(C#N)CC1)C(C)C ZINC001313810612 1071241993 /nfs/dbraw/zinc/24/19/93/1071241993.db2.gz VUBZYXVKHOVYAM-UHFFFAOYSA-N 1 0 476.629 3.706 20 30 JHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CC#N)CC1 ZINC001313895140 1071495710 /nfs/dbraw/zinc/49/57/10/1071495710.db2.gz YTGCPAHQDVSXEL-SFHVURJKSA-N 1 0 460.424 3.660 20 30 JHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(CCC#N)CCOC ZINC001313907341 1071527168 /nfs/dbraw/zinc/52/71/68/1071527168.db2.gz BZWYBYDSLJYDLK-FQEVSTJZSA-N 1 0 475.435 3.948 20 30 JHEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001313927049 1071578899 /nfs/dbraw/zinc/57/88/99/1071578899.db2.gz YZDYORZYGUHTTH-IBGZPJMESA-N 1 0 479.032 3.528 20 30 JHEDRO CC[NH+]1CCN([C@H](C)Cn2c(CSc3ccccc3OC)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001313928888 1071584971 /nfs/dbraw/zinc/58/49/71/1071584971.db2.gz WLEOYGROFGPDKH-OAQYLSRUSA-N 1 0 497.713 3.735 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@@H]1C ZINC001313931109 1071591225 /nfs/dbraw/zinc/59/12/25/1071591225.db2.gz HDVKROMJQWKGMZ-IBGZPJMESA-N 1 0 479.629 3.747 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C(C)(C)C)no2)C[C@@H]1C ZINC001313943515 1071623269 /nfs/dbraw/zinc/62/32/69/1071623269.db2.gz SJOSHIKLTCVREO-SFHVURJKSA-N 1 0 463.586 3.593 20 30 JHEDRO CCN1CC[NH+](CCCCn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313953155 1071647809 /nfs/dbraw/zinc/64/78/09/1071647809.db2.gz BSCOJRFFACRJTO-HSZRJFAPSA-N 1 0 479.673 3.773 20 30 JHEDRO CCNC(=O)C(C)(C)Cn1c([C@H](C)CC)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001313963865 1071679071 /nfs/dbraw/zinc/67/90/71/1071679071.db2.gz ORKVLIAARHPBCN-HXUWFJFHSA-N 1 0 465.646 3.538 20 30 JHEDRO CCn1nc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c2ccccc2c1=O ZINC001313965826 1071684597 /nfs/dbraw/zinc/68/45/97/1071684597.db2.gz FRZAKSBDEFYNAK-HRFSGMKKSA-N 1 0 490.656 3.781 20 30 JHEDRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](C)[C@H](C)CC)CC1 ZINC001314013467 1071750534 /nfs/dbraw/zinc/75/05/34/1071750534.db2.gz FXHNDUPJHDTYFD-LJQANCHMSA-N 1 0 467.618 3.604 20 30 JHEDRO CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H](c2ccccc2)[NH+](CC)CC)CCOC1 ZINC001314099765 1071982727 /nfs/dbraw/zinc/98/27/27/1071982727.db2.gz CCOJFNUYEDALGF-BVAGGSTKSA-N 1 0 466.630 3.753 20 30 JHEDRO CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001314113485 1072009476 /nfs/dbraw/zinc/00/94/76/1072009476.db2.gz PLGNGCSUVZMZEF-YZIHRLCOSA-N 1 0 472.678 3.817 20 30 JHEDRO CCc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC001305941327 1068250300 /nfs/dbraw/zinc/25/03/00/1068250300.db2.gz QKAXGDRTMMZZME-HOFKKMOUSA-N 1 0 477.657 3.580 20 30 JHEDRO CCc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1Cc1cccnc1OCC(F)(F)F ZINC001306181192 1068572999 /nfs/dbraw/zinc/57/29/99/1068572999.db2.gz VZSIXFIZGAZOEH-UHFFFAOYSA-N 1 0 499.541 3.809 20 30 JHEDRO CCc1nsc(N2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CCC[N@H+](C)C(C)C)CC2)n1 ZINC001306240121 1068638122 /nfs/dbraw/zinc/63/81/22/1068638122.db2.gz XCOAOFKOPSXLMW-UHFFFAOYSA-N 1 0 493.685 3.678 20 30 JHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001306320279 1068748735 /nfs/dbraw/zinc/74/87/35/1068748735.db2.gz SQIGZYKTYBZLCT-BJKOFHAPSA-N 1 0 466.630 3.711 20 30 JHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 ZINC001306326556 1068765020 /nfs/dbraw/zinc/76/50/20/1068765020.db2.gz ZNRYFRHAAZQXDK-JTHBVZDNSA-N 1 0 452.603 3.608 20 30 JHEDRO CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCS1 ZINC001306405769 1068874331 /nfs/dbraw/zinc/87/43/31/1068874331.db2.gz RMIRNYXPBOTESQ-JQVVWYNYSA-N 1 0 454.644 3.648 20 30 JHEDRO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC001310556620 1069015272 /nfs/dbraw/zinc/01/52/72/1069015272.db2.gz MAAMIBFDWOISAW-SIKLNZKXSA-N 1 0 454.596 3.891 20 30 JHEDRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306498305 1069049375 /nfs/dbraw/zinc/04/93/75/1069049375.db2.gz OBAHHFMBMGYUAF-AWRGLXIESA-N 1 0 477.657 3.822 20 30 JHEDRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCCC[C@@H]2CC)C1 ZINC001306498698 1069051109 /nfs/dbraw/zinc/05/11/09/1069051109.db2.gz KXOQYPDHTDWPGA-ZEQRLZLVSA-N 1 0 477.657 3.966 20 30 JHEDRO CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC001306551468 1069215287 /nfs/dbraw/zinc/21/52/87/1069215287.db2.gz XVSGDECOERYXKN-LEWJYISDSA-N 1 0 477.657 3.680 20 30 JHEDRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc(COc4ccc(CC#N)cc4)cn3)CC2)CC1 ZINC001164616445 719031904 /nfs/dbraw/zinc/03/19/04/719031904.db2.gz CHIOYHPWCMTLLA-UHFFFAOYSA-N 1 0 462.594 3.971 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc4c(cc3C#N)CCCC4)CC2)c2ccccc21 ZINC001164684394 719677154 /nfs/dbraw/zinc/67/71/54/719677154.db2.gz TYOMJLKUSJZZDI-QFIPXVFZSA-N 1 0 471.649 3.925 20 30 JHEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C#N)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164712730 720133251 /nfs/dbraw/zinc/13/32/51/720133251.db2.gz OSDNYDYUMXLQNF-JOCHJYFZSA-N 1 0 476.625 3.840 20 30 JHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1cccc(C#N)c1)C2 ZINC001164811959 720198263 /nfs/dbraw/zinc/19/82/63/720198263.db2.gz KNEATWWWHXYVGW-DVECYGJZSA-N 1 0 453.974 3.979 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc(Cl)c2C#N)CC1 ZINC001164823856 720293115 /nfs/dbraw/zinc/29/31/15/720293115.db2.gz QKGYWTYRJOWXHK-DLBZAZTESA-N 1 0 472.367 3.716 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)CC1 ZINC001164823849 720320832 /nfs/dbraw/zinc/32/08/32/720320832.db2.gz BJZXEGGETOOYND-YADHBBJMSA-N 1 0 482.991 3.719 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc(COc3ccc(CC#N)cc3)cn2)CC1 ZINC001164828400 720341111 /nfs/dbraw/zinc/34/11/11/720341111.db2.gz OQPATNFLQDGFKS-IZZNHLLZSA-N 1 0 473.621 3.638 20 30 JHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164830567 720357259 /nfs/dbraw/zinc/35/72/59/720357259.db2.gz WBWSDZBXDKYHBH-LEWJYISDSA-N 1 0 452.002 3.980 20 30 JHEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(C#C[Si](C)(C)C)ccc2NC(=O)C(C)(C)C)C1 ZINC001164734265 720520186 /nfs/dbraw/zinc/52/01/86/720520186.db2.gz PCDMUAFQBALEHD-IBGZPJMESA-N 1 0 466.706 3.690 20 30 JHEDRO 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 720562999 /nfs/dbraw/zinc/56/29/99/720562999.db2.gz BELSVKUXUPEVFE-GPMSIDNRSA-N 1 0 464.948 3.734 20 30 JHEDRO CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc([C@@H](C#N)c4ccccc4F)nn3)CC[C@@H]21 ZINC001164838514 720566720 /nfs/dbraw/zinc/56/67/20/720566720.db2.gz OFGNTJHWPUQZCH-AWZJCTCXSA-N 1 0 459.573 3.845 20 30 JHEDRO CSc1nc(Cl)c(C=NO)c(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838266 720676876 /nfs/dbraw/zinc/67/68/76/720676876.db2.gz GVHSYMDXMHURGG-QGZVFWFLSA-N 1 0 462.019 3.920 20 30 JHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164836408 720713286 /nfs/dbraw/zinc/71/32/86/720713286.db2.gz ABYMWQGDZZYLIC-FGZHOGPDSA-N 1 0 485.588 3.670 20 30 JHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164749959 720813395 /nfs/dbraw/zinc/81/33/95/720813395.db2.gz UVLCLOMSLRBGIU-UMXIMWEHSA-N 1 0 457.557 3.730 20 30 JHEDRO N#CCc1cnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164751303 720927654 /nfs/dbraw/zinc/92/76/54/720927654.db2.gz LDZAPCVAPQHJDH-RDGATRHJSA-N 1 0 452.002 3.951 20 30 JHEDRO N#Cc1c2c(cnc1N1CC[C@@]3(C1)C[N@H+](CC1CC1)C[C@H]3COCc1cccnc1)CCCC2 ZINC001164749966 720939183 /nfs/dbraw/zinc/93/91/83/720939183.db2.gz IQMISBIRJRPWTO-CUBQBAPOSA-N 1 0 457.622 3.982 20 30 JHEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4cccc(C#N)c4)C3)O2)CC1 ZINC001164887370 721450137 /nfs/dbraw/zinc/45/01/37/721450137.db2.gz JVUOMVYSWAOPAR-PXDATVDWSA-N 1 0 483.016 3.559 20 30 JHEDRO Cc1ccc2nc(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c(C#N)c(Cl)c2c1 ZINC001164889116 721453885 /nfs/dbraw/zinc/45/38/85/721453885.db2.gz NQVVGHQGGVOAOG-CLOONOSVSA-N 1 0 454.018 3.834 20 30 JHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164890356 721453917 /nfs/dbraw/zinc/45/39/17/721453917.db2.gz REAAGZZKLOECOU-AVRWGWEMSA-N 1 0 472.008 3.973 20 30 JHEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC2(CC([N@H+](C)Cc3ccncc3)C2)CC1 ZINC001164796706 721500762 /nfs/dbraw/zinc/50/07/62/721500762.db2.gz WALKNRAPPKLLCC-NRFANRHFSA-N 1 0 470.577 3.686 20 30 JHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028274 721824400 /nfs/dbraw/zinc/82/44/00/721824400.db2.gz VBFYNKGIXUBCHV-UQWVPHONSA-N 1 0 470.577 3.542 20 30 JHEDRO CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)CCO1 ZINC001306632383 1069333667 /nfs/dbraw/zinc/33/36/67/1069333667.db2.gz LFMHVVMIEYSYGN-URXFXBBRSA-N 1 0 466.630 3.856 20 30 JHEDRO CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CCCC[C@H]2CC)CCO1 ZINC001306633268 1069335622 /nfs/dbraw/zinc/33/56/22/1069335622.db2.gz RULXSOHNHBATSE-ISKFKSNPSA-N 1 0 466.630 3.999 20 30 JHEDRO CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CCCC[C@H]2CC)CCO1 ZINC001306633271 1069336566 /nfs/dbraw/zinc/33/65/66/1069336566.db2.gz RULXSOHNHBATSE-VWNXMTODSA-N 1 0 466.630 3.999 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001306681681 1069411315 /nfs/dbraw/zinc/41/13/15/1069411315.db2.gz QSHGKEZVPAHJTE-OAQYLSRUSA-N 1 0 462.440 3.908 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001306682046 1069412376 /nfs/dbraw/zinc/41/23/76/1069412376.db2.gz ANMANVSCTPQCMD-OAQYLSRUSA-N 1 0 467.618 3.652 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001306723151 1069462244 /nfs/dbraw/zinc/46/22/44/1069462244.db2.gz QHUPSJPCQPKXJZ-DEOSSOPVSA-N 1 0 477.657 3.776 20 30 JHEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001306737635 1069507332 /nfs/dbraw/zinc/50/73/32/1069507332.db2.gz XNUIWJHEKBKPGF-FOVJLYNBSA-N 1 0 477.657 3.678 20 30 JHEDRO CCCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001306742406 1069520057 /nfs/dbraw/zinc/52/00/57/1069520057.db2.gz SENHYADMWMXWSX-UHFFFAOYSA-N 1 0 465.646 3.537 20 30 JHEDRO CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC001311820963 1069560345 /nfs/dbraw/zinc/56/03/45/1069560345.db2.gz UYDIOOYLLYVANO-WIYYLYMNSA-N 1 0 453.562 3.819 20 30 JHEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)C1 ZINC001306788564 1069593584 /nfs/dbraw/zinc/59/35/84/1069593584.db2.gz KYYWBGZRCPLAHR-IFMALSPDSA-N 1 0 486.711 3.745 20 30 JHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)C1 ZINC001306788569 1069594126 /nfs/dbraw/zinc/59/41/26/1069594126.db2.gz KYYWBGZRCPLAHR-RBBKRZOGSA-N 1 0 486.711 3.745 20 30 JHEDRO CCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC[NH+]2CCCCCC2)cc1OC ZINC001314170172 1069679725 /nfs/dbraw/zinc/67/97/25/1069679725.db2.gz QRHHHGNWKAWMIT-UHFFFAOYSA-N 1 0 452.603 3.968 20 30 JHEDRO CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC2CC[NH+](CC)CC2)cc1OC ZINC001314176292 1069704632 /nfs/dbraw/zinc/70/46/32/1069704632.db2.gz HCCLULNMMNZPAU-RUZDIDTESA-N 1 0 470.593 3.916 20 30 JHEDRO CCC[NH+]1CCC(Cn2c([C@H](C)CC)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC001307033318 1069747628 /nfs/dbraw/zinc/74/76/28/1069747628.db2.gz BIXUTSNSUPZTRA-HXUWFJFHSA-N 1 0 450.635 3.507 20 30 JHEDRO CCC[N@@H+]1CC[C@H](Cn2c(CC(C)C)nnc2N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC001307038217 1069760868 /nfs/dbraw/zinc/76/08/68/1069760868.db2.gz CFCXPGVJBCKABM-NRFANRHFSA-N 1 0 453.610 3.546 20 30 JHEDRO CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001314200610 1069792730 /nfs/dbraw/zinc/79/27/30/1069792730.db2.gz HVLDVGQCVIKINL-HUVFLSCGSA-N 1 0 482.629 3.666 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC001307054940 1069818800 /nfs/dbraw/zinc/81/88/00/1069818800.db2.gz MHZXQYKLDMKBBP-XZOQPEGZSA-N 1 0 463.630 3.576 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001307057075 1069831784 /nfs/dbraw/zinc/83/17/84/1069831784.db2.gz VJTLHGJYPBGTQK-RPWUZVMVSA-N 1 0 466.630 3.711 20 30 JHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N(C)[C@H](C)CC#N ZINC001307063296 1069863110 /nfs/dbraw/zinc/86/31/10/1069863110.db2.gz PQXUQVVQJGSDQS-UXHICEINSA-N 1 0 476.629 3.678 20 30 JHEDRO CCOC1CC(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)C1 ZINC001314237702 1069935982 /nfs/dbraw/zinc/93/59/82/1069935982.db2.gz FVZBGPGIHHWWRW-MICDNJKTSA-N 1 0 466.630 3.853 20 30 JHEDRO CC(C)[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)C[C@H](O)COc1cccc2ccccc21 ZINC001307458657 1069996707 /nfs/dbraw/zinc/99/67/07/1069996707.db2.gz JIIGFXAUHVAARY-QFIPXVFZSA-N 1 0 456.542 3.590 20 30 JHEDRO COc1ccc(C[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C(C)(C)C)cc1 ZINC001307815363 1070196079 /nfs/dbraw/zinc/19/60/79/1070196079.db2.gz NICWAIBYAXQWQI-DEOSSOPVSA-N 1 0 452.574 3.844 20 30 JHEDRO CCOCc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CC[C@@](C)(CC)O1 ZINC001314377639 1070219508 /nfs/dbraw/zinc/21/95/08/1070219508.db2.gz FZDFDZOPRZOPJB-ZEQKJWHPSA-N 1 0 466.630 3.746 20 30 JHEDRO CCOCc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(C)CCCS1 ZINC001314378212 1070220825 /nfs/dbraw/zinc/22/08/25/1070220825.db2.gz JJXLSGOYTVGTJJ-XMMPIXPASA-N 1 0 454.644 3.684 20 30 JHEDRO CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@H](C)[NH+]1CCC(C)CC1 ZINC001314389021 1070240909 /nfs/dbraw/zinc/24/09/09/1070240909.db2.gz GLPYVDOSYVRGGT-FQEVSTJZSA-N 1 0 486.064 3.787 20 30 JHEDRO CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001314392441 1070248512 /nfs/dbraw/zinc/24/85/12/1070248512.db2.gz YQXKYPXNVLMMOL-NRFANRHFSA-N 1 0 483.617 3.516 20 30 JHEDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001313141518 1070267305 /nfs/dbraw/zinc/26/73/05/1070267305.db2.gz YWPNOYHAMYGBFI-GBXCKJPGSA-N 1 0 459.594 3.686 20 30 JHEDRO CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314408917 1070273766 /nfs/dbraw/zinc/27/37/66/1070273766.db2.gz RJYSHSXPCIHAEQ-CHZKFRDHSA-N 1 0 466.630 3.775 20 30 JHEDRO COC(=O)c1cnc(CC2CC[NH+](CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)s1 ZINC001308044208 1070290586 /nfs/dbraw/zinc/29/05/86/1070290586.db2.gz UOOLVOAVCUEGBE-UHFFFAOYSA-N 1 0 458.609 3.635 20 30 JHEDRO C[C@@H]([NH2+]CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC001308069866 1070301663 /nfs/dbraw/zinc/30/16/63/1070301663.db2.gz GYSFXDQFRGPABM-VQIMIIECSA-N 1 0 451.527 3.615 20 30 JHEDRO CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001314441046 1070330181 /nfs/dbraw/zinc/33/01/81/1070330181.db2.gz FBSLXSMUFHCXNO-MQSCRBSSSA-N 1 0 466.630 3.712 20 30 JHEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)cc1 ZINC001308383526 1070365241 /nfs/dbraw/zinc/36/52/41/1070365241.db2.gz ZNCFEVJJVLGHCK-HXUWFJFHSA-N 1 0 455.521 3.662 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001313449311 1070373800 /nfs/dbraw/zinc/37/38/00/1070373800.db2.gz QNJQKQMYNUNWLB-OFVILXPXSA-N 1 0 484.048 3.866 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCC)C1 ZINC001313452819 1070384284 /nfs/dbraw/zinc/38/42/84/1070384284.db2.gz MDGLRAPHVHPONV-JTHBVZDNSA-N 1 0 452.603 3.608 20 30 JHEDRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001308686953 1070418272 /nfs/dbraw/zinc/41/82/72/1070418272.db2.gz RWQKFRRBYBKWDM-QRWLVFNGSA-N 1 0 455.356 3.823 20 30 JHEDRO CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001314504326 1070443948 /nfs/dbraw/zinc/44/39/48/1070443948.db2.gz FCBAZARIVKADMB-JOCHJYFZSA-N 1 0 498.697 3.588 20 30 JHEDRO CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1OC ZINC001313506227 1070547162 /nfs/dbraw/zinc/54/71/62/1070547162.db2.gz WGQCLDLRXYJRPE-DHIUTWEWSA-N 1 0 496.656 3.982 20 30 JHEDRO N#Cc1cc(S(=O)(=O)NCC2CC[NH+](Cc3cccs3)CC2)ccc1Br ZINC001309119166 1070549779 /nfs/dbraw/zinc/54/97/79/1070549779.db2.gz NWSNATNPZAQUPF-UHFFFAOYSA-N 1 0 454.415 3.573 20 30 JHEDRO CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001313520874 1070587585 /nfs/dbraw/zinc/58/75/85/1070587585.db2.gz HOBJOZZNHMHEHO-QPPBQGQZSA-N 1 0 466.630 3.571 20 30 JHEDRO CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001313521536 1070589154 /nfs/dbraw/zinc/58/91/54/1070589154.db2.gz ODKMTNORASBZJK-DQEYMECFSA-N 1 0 480.657 3.959 20 30 JHEDRO CN(C)C(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC001314628132 1070722888 /nfs/dbraw/zinc/72/28/88/1070722888.db2.gz ISYOTYGKNRCZDG-UHFFFAOYSA-N 1 0 477.657 3.633 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](F)(C#N)C1)c1ccc(F)cc1 ZINC001314649475 1070756305 /nfs/dbraw/zinc/75/63/05/1070756305.db2.gz WCJNVTCKVQIPJF-XMSQKQJNSA-N 1 0 457.916 3.877 20 30 JHEDRO C[NH+](C)C1(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(C)(C#N)CC2)CCOCC1 ZINC001314658414 1070779367 /nfs/dbraw/zinc/77/93/67/1070779367.db2.gz BPDWQFCDAPOXHX-UHFFFAOYSA-N 1 0 457.022 3.763 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313659172 1070862463 /nfs/dbraw/zinc/86/24/63/1070862463.db2.gz FRRCCVXIGMWXHI-VQTJNVASSA-N 1 0 481.645 3.993 20 30 JHEDRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CC(F)(F)F)CC1 ZINC001313693174 1070954040 /nfs/dbraw/zinc/95/40/40/1070954040.db2.gz AMMPADBNYNUXIG-UHFFFAOYSA-N 1 0 463.552 3.621 20 30 JHEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCC2(C)C)CC1 ZINC001313699085 1070972671 /nfs/dbraw/zinc/97/26/71/1070972671.db2.gz GUTIQFANODJHEO-QHCPKHFHSA-N 1 0 477.657 3.633 20 30 JHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC2CCCCC2)C1 ZINC001313703501 1070986691 /nfs/dbraw/zinc/98/66/91/1070986691.db2.gz XQNTZXNPVIVJIK-QFIPXVFZSA-N 1 0 477.657 3.824 20 30 JHEDRO CC[NH+](CC)CCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001313721247 1071023175 /nfs/dbraw/zinc/02/31/75/1071023175.db2.gz XMXVGVUHIVAUKZ-ISKFKSNPSA-N 1 0 494.688 3.522 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 ZINC001313722508 1071027297 /nfs/dbraw/zinc/02/72/97/1071027297.db2.gz DARTZOLTKSJFCG-LJQANCHMSA-N 1 0 479.032 3.922 20 30 JHEDRO CCN(C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](C)C(C)C)C1)CC(F)(F)F ZINC001313787873 1071170805 /nfs/dbraw/zinc/17/08/05/1071170805.db2.gz OKZOXHAFNINEJU-HXUWFJFHSA-N 1 0 477.579 3.867 20 30 JHEDRO CN(CCc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1[N@H+](C)CCCC1(C)C ZINC001314837626 1071179626 /nfs/dbraw/zinc/17/96/26/1071179626.db2.gz NCGUGJNWOYHNCT-NRFANRHFSA-N 1 0 479.654 3.985 20 30 JHEDRO CN(CCc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1[N@H+](C)CCCC1(C)C ZINC001314837682 1071180640 /nfs/dbraw/zinc/18/06/40/1071180640.db2.gz NCGUGJNWOYHNCT-OAQYLSRUSA-N 1 0 479.654 3.985 20 30 JHEDRO CC[N@H+](CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1)CCC(F)(F)F ZINC001313818590 1071269062 /nfs/dbraw/zinc/26/90/62/1071269062.db2.gz MFBAUVJQLAHADP-SFHVURJKSA-N 1 0 470.927 3.525 20 30 JHEDRO CC[N@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C)C(C)C ZINC001313819436 1071273623 /nfs/dbraw/zinc/27/36/23/1071273623.db2.gz AXEREMLSAUUDLP-HSZRJFAPSA-N 1 0 476.629 3.706 20 30 JHEDRO CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1ccsc1)[NH+](C)C ZINC001314870775 1071280993 /nfs/dbraw/zinc/28/09/93/1071280993.db2.gz DVDXHLJQDQQLRA-QHCPKHFHSA-N 1 0 493.681 3.728 20 30 JHEDRO N#Cc1ccc(Oc2cccc(NC(=O)NCCN3CC[NH+](Cc4ccccc4)CC3)c2)nc1 ZINC001310350482 1071330497 /nfs/dbraw/zinc/33/04/97/1071330497.db2.gz WZOUFIHHFAAFMM-UHFFFAOYSA-N 1 0 456.550 3.685 20 30 JHEDRO C[N@@H+]1CCCC(C)(C)[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001314928611 1071371420 /nfs/dbraw/zinc/37/14/20/1071371420.db2.gz NKJRLEYDGOQOFI-OALUTQOASA-N 1 0 462.520 3.705 20 30 JHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)C[C@@H]1C ZINC001313864126 1071385410 /nfs/dbraw/zinc/38/54/10/1071385410.db2.gz XGBDFRXACBWORB-VQTJNVASSA-N 1 0 463.630 3.527 20 30 JHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2Cl)C[C@@H]1C ZINC001313864957 1071390079 /nfs/dbraw/zinc/39/00/79/1071390079.db2.gz ZSRQEXCQUVTVBW-ZWKOTPCHSA-N 1 0 465.989 3.863 20 30 JHEDRO 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 1071447560 /nfs/dbraw/zinc/44/75/60/1071447560.db2.gz XXBNFCANPIOPNQ-BVFVYWQFSA-N 1 0 466.630 3.589 20 30 JHEDRO 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 1071447837 /nfs/dbraw/zinc/44/78/37/1071447837.db2.gz XXBNFCANPIOPNQ-GOHWNWGWSA-N 1 0 466.630 3.589 20 30 JHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2Cl)C[C@H]1C ZINC001313879373 1071449450 /nfs/dbraw/zinc/44/94/50/1071449450.db2.gz ZOUGEONCFVYQSW-MOPGFXCFSA-N 1 0 496.015 3.775 20 30 JHEDRO CC[N@@H+]1CC[C@@H](Cn2c([C@H](C)OCCOC)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC001313884319 1071463331 /nfs/dbraw/zinc/46/33/31/1071463331.db2.gz NXOMCPGHKXWPSQ-RBBKRZOGSA-N 1 0 464.614 3.509 20 30 JHEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(CC#N)CC2)CC1 ZINC001313921974 1071563216 /nfs/dbraw/zinc/56/32/16/1071563216.db2.gz UOWZZOKNWWQHCQ-IBGZPJMESA-N 1 0 487.599 3.703 20 30 JHEDRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@](C)(C#N)C2)CC1 ZINC001313929964 1071588183 /nfs/dbraw/zinc/58/81/83/1071588183.db2.gz UMNNLURVSRCDJN-CJFMBICVSA-N 1 0 470.065 3.678 20 30 JHEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313950061 1071637632 /nfs/dbraw/zinc/63/76/32/1071637632.db2.gz MJXASHPSHSRDCX-LJQANCHMSA-N 1 0 487.574 3.789 20 30 JHEDRO CCN1CC[NH+](C[C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(CC#N)CC2)CC1 ZINC001313955352 1071655467 /nfs/dbraw/zinc/65/54/67/1071655467.db2.gz GCOWTODBNVWHOX-QFIPXVFZSA-N 1 0 493.700 3.878 20 30 JHEDRO CCn1nc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](CC(C)C)[NH+](C)C)c2ccccc2c1=O ZINC001313965828 1071684712 /nfs/dbraw/zinc/68/47/12/1071684712.db2.gz FRZAKSBDEFYNAK-NFQMXDRXSA-N 1 0 490.656 3.781 20 30 JHEDRO CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@@H](C2CCCCC2)[NH+](C)C)CCOC1 ZINC001314084327 1071951395 /nfs/dbraw/zinc/95/13/95/1071951395.db2.gz XAUKRBRZLXOXLI-IGKIAQTJSA-N 1 0 480.657 3.949 20 30 JHEDRO CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2cccc(C[NH+](CC)CC)c2)CCOC1 ZINC001314120032 1072022039 /nfs/dbraw/zinc/02/20/39/1072022039.db2.gz JNRDILFMWFNZPC-KAYWLYCHSA-N 1 0 480.657 3.950 20 30 JHEDRO CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H](c1cccs1)[NH+](C)C ZINC001306193281 1068584388 /nfs/dbraw/zinc/58/43/88/1068584388.db2.gz FOHPMHDWTPQHQN-FQEVSTJZSA-N 1 0 453.591 3.542 20 30 JHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N ZINC001306319234 1068744014 /nfs/dbraw/zinc/74/40/14/1068744014.db2.gz RLIQIBIDPIPOFP-WMZOPIPTSA-N 1 0 462.440 3.906 20 30 JHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 ZINC001306320133 1068748058 /nfs/dbraw/zinc/74/80/58/1068748058.db2.gz QESQMBBJSBOPFK-CYFREDJKSA-N 1 0 456.566 3.669 20 30 JHEDRO CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](CC)CCC(F)(F)F)CCO1 ZINC001306404702 1068870324 /nfs/dbraw/zinc/87/03/24/1068870324.db2.gz LHTNSUORCNWMAM-IBGZPJMESA-N 1 0 450.509 3.706 20 30 JHEDRO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC001306405243 1068872548 /nfs/dbraw/zinc/87/25/48/1068872548.db2.gz CDUDVYXZRQRTFO-IHFIDZABSA-N 1 0 466.630 3.708 20 30 JHEDRO CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2csc(C)c2)CC[N@@H+]1CCOC ZINC001306456125 1068979865 /nfs/dbraw/zinc/97/98/65/1068979865.db2.gz YCPSGOXWIITPIW-JOCHJYFZSA-N 1 0 480.638 3.694 20 30 JHEDRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001306500307 1069059573 /nfs/dbraw/zinc/05/95/73/1069059573.db2.gz YLOSXWCWIKHXHY-ZEQRLZLVSA-N 1 0 477.657 3.822 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc(C#N)cc3Cl)CC2)c2ccccc21 ZINC001164680341 719658774 /nfs/dbraw/zinc/65/87/74/719658774.db2.gz FSCYRYISLATLJP-LJQANCHMSA-N 1 0 452.002 3.700 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3[nH]ccc4ncc(C#N)c3-4)CC2)c2ccccc21 ZINC001164680368 719675760 /nfs/dbraw/zinc/67/57/60/719675760.db2.gz DCPBZOSASLRRTR-IBGZPJMESA-N 1 0 456.594 3.528 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)CC1 ZINC001164823844 720320931 /nfs/dbraw/zinc/32/09/31/720320931.db2.gz BJZXEGGETOOYND-FGZHOGPDSA-N 1 0 482.991 3.719 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc3cc(F)ccc3c(Cl)c2C#N)CC1 ZINC001164825274 720355458 /nfs/dbraw/zinc/35/54/58/720355458.db2.gz JGNBOQAUURTZAU-NHCUHLMSSA-N 1 0 455.965 3.810 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2nc3cc(F)c(F)cc3c(Cl)c2C#N)CC1 ZINC001164826711 720356727 /nfs/dbraw/zinc/35/67/27/720356727.db2.gz KUJVWPQGFWMKFN-RTWAWAEBSA-N 1 0 473.955 3.950 20 30 JHEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cc(-c3ccc(C#N)cc3)nnc2Cl)C1 ZINC001164733087 720534853 /nfs/dbraw/zinc/53/48/53/720534853.db2.gz ARBZLLMAGCKTNN-MRXNPFEDSA-N 1 0 457.916 3.608 20 30 JHEDRO 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 720564550 /nfs/dbraw/zinc/56/45/50/720564550.db2.gz BELSVKUXUPEVFE-FRQCXROJSA-N 1 0 464.948 3.734 20 30 JHEDRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C#N)c4)c3)CC[C@@H]2C1 ZINC001164861977 720892624 /nfs/dbraw/zinc/89/26/24/720892624.db2.gz ZWMZNHKCUDUHCY-DENIHFKCSA-N 1 0 476.955 3.992 20 30 JHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164870827 721186317 /nfs/dbraw/zinc/18/63/17/721186317.db2.gz WINJPJJHLBMEQU-FPOVZHCZSA-N 1 0 462.941 3.669 20 30 JHEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc5cc(F)ccc5c(Cl)c4C#N)C3)O2)CC1 ZINC001164890030 721452339 /nfs/dbraw/zinc/45/23/39/721452339.db2.gz QDHOEYRWZLOISP-MHECFPHRSA-N 1 0 457.981 3.664 20 30 JHEDRO Cc1ccc2nc(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c(C#N)c(Cl)c2c1 ZINC001164889122 721454127 /nfs/dbraw/zinc/45/41/27/721454127.db2.gz NQVVGHQGGVOAOG-UQBPGWFLSA-N 1 0 454.018 3.834 20 30 JHEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4nc5cc(F)c(F)cc5c(Cl)c4C#N)C3)O2)CC1 ZINC001164888363 721454157 /nfs/dbraw/zinc/45/41/57/721454157.db2.gz LSFVSBRWUZUCBD-GYCJOSAFSA-N 1 0 475.971 3.803 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC2(C[C@@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164783906 721455109 /nfs/dbraw/zinc/45/51/09/721455109.db2.gz CXTNEWFWJYXJKB-FQEVSTJZSA-N 1 0 491.032 3.517 20 30 JHEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc(C#N)c4sc(-c5ccccc5)cc42)CC3)CC1 ZINC001164797121 721514497 /nfs/dbraw/zinc/51/44/97/721514497.db2.gz GXFVJKOMNZMFQB-UHFFFAOYSA-N 1 0 469.618 3.799 20 30 JHEDRO N#CC1(c2ccc(N3CCC(F)(F)[C@@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2)CCOCC1 ZINC001164906664 721721773 /nfs/dbraw/zinc/72/17/73/721721773.db2.gz NQGCMPHMLHHHQH-XMMPIXPASA-N 1 0 453.537 3.786 20 30 JHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1F ZINC001164971966 722121638 /nfs/dbraw/zinc/12/16/38/722121638.db2.gz DZXRZVVWSGSFJJ-MHECFPHRSA-N 1 0 478.959 3.930 20 30 JHEDRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 ZINC001306679286 1069404215 /nfs/dbraw/zinc/40/42/15/1069404215.db2.gz GVVCOWVNONCJJD-UHFFFAOYSA-N 1 0 480.657 3.697 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CC#N ZINC001306722335 1069459716 /nfs/dbraw/zinc/45/97/16/1069459716.db2.gz HDNIAHBYNRTAOO-VQTJNVASSA-N 1 0 486.690 3.631 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001306724210 1069465227 /nfs/dbraw/zinc/46/52/27/1069465227.db2.gz XFUUGRXULYCZHF-XMMPIXPASA-N 1 0 463.630 3.530 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001306725268 1069466444 /nfs/dbraw/zinc/46/64/44/1069466444.db2.gz CDEBOFSKZMLUKX-HSZRJFAPSA-N 1 0 464.662 3.724 20 30 JHEDRO COc1ccccc1[C@@H](CNC(=O)N1CCN(c2ccsc2C#N)CC1)[NH+]1CCCCC1 ZINC001311623515 1069473772 /nfs/dbraw/zinc/47/37/72/1069473772.db2.gz VTMXGYFIOITFQR-OAQYLSRUSA-N 1 0 453.612 3.687 20 30 JHEDRO CC[NH+](CC)CCOc1ccc(CNC(=O)N2CCc3c(CC#N)cccc3C2)cc1OC ZINC001311626050 1069476129 /nfs/dbraw/zinc/47/61/29/1069476129.db2.gz RQKHIDMHCHFQMT-UHFFFAOYSA-N 1 0 450.583 3.750 20 30 JHEDRO CCC[N@H+](CC)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001306801814 1069607024 /nfs/dbraw/zinc/60/70/24/1069607024.db2.gz BIUNJTKHWWDZGG-NRFANRHFSA-N 1 0 462.440 3.908 20 30 JHEDRO CCC[N@H+](CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001306802506 1069609485 /nfs/dbraw/zinc/60/94/85/1069609485.db2.gz LSHRUFAXUOJDQQ-HXUWFJFHSA-N 1 0 451.600 3.583 20 30 JHEDRO CCC[N@H+](CC)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001306806863 1069620185 /nfs/dbraw/zinc/62/01/85/1069620185.db2.gz KRSUWKQYXTUQJP-HXUWFJFHSA-N 1 0 472.037 3.516 20 30 JHEDRO CC[C@@H](C)[NH2+][C@H](CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccco1 ZINC001306841217 1069655076 /nfs/dbraw/zinc/65/50/76/1069655076.db2.gz ZEJSZIDANWZLID-VQIMIIECSA-N 1 0 451.527 3.861 20 30 JHEDRO C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001312126577 1069733636 /nfs/dbraw/zinc/73/36/36/1069733636.db2.gz CSMVSVIZJQPQLN-WMZHIEFXSA-N 1 0 452.002 3.954 20 30 JHEDRO CCC[NH+]1CCC(Cn2c([C@@H](C)CC)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC001307033285 1069747578 /nfs/dbraw/zinc/74/75/78/1069747578.db2.gz BIXUTSNSUPZTRA-FQEVSTJZSA-N 1 0 450.635 3.507 20 30 JHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001307045808 1069783054 /nfs/dbraw/zinc/78/30/54/1069783054.db2.gz OWLYNLJYDGJKIQ-UHFFFAOYSA-N 1 0 458.614 3.637 20 30 JHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(OC)nc2OC)CC1 ZINC001307048916 1069795559 /nfs/dbraw/zinc/79/55/59/1069795559.db2.gz BSCWHCIQRUOSFB-UHFFFAOYSA-N 1 0 475.597 3.588 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001307056145 1069825650 /nfs/dbraw/zinc/82/56/50/1069825650.db2.gz CERMSLUOIBASSK-LEWJYISDSA-N 1 0 479.677 3.508 20 30 JHEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 ZINC001312289723 1069840713 /nfs/dbraw/zinc/84/07/13/1069840713.db2.gz HNMLNPAEHUOBTN-FGZHOGPDSA-N 1 0 457.619 3.867 20 30 JHEDRO CCOc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314218209 1069858009 /nfs/dbraw/zinc/85/80/09/1069858009.db2.gz SWZYPRKCBFGJOR-HXUWFJFHSA-N 1 0 464.570 3.892 20 30 JHEDRO 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 1069946049 /nfs/dbraw/zinc/94/60/49/1069946049.db2.gz FWDSNKWSZQLTTG-KMDXXIMOSA-N 1 0 480.657 3.813 20 30 JHEDRO C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C[C@@H](O)c1cccc(Br)c1 ZINC001307838095 1070206397 /nfs/dbraw/zinc/20/63/97/1070206397.db2.gz ARZIBGOQOJCJND-FXAWDEMLSA-N 1 0 451.324 3.652 20 30 JHEDRO C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C[C@@H](O)c1cccc(Br)c1 ZINC001307838098 1070206684 /nfs/dbraw/zinc/20/66/84/1070206684.db2.gz ARZIBGOQOJCJND-YLJYHZDGSA-N 1 0 451.324 3.652 20 30 JHEDRO COc1ccccc1N(CCC#N)C(=O)[C@H](C)[NH+]1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC001307893319 1070228455 /nfs/dbraw/zinc/22/84/55/1070228455.db2.gz RIRBXLSOZXBOOY-IBGZPJMESA-N 1 0 458.603 3.957 20 30 JHEDRO CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC[N@H+](C)C1CCCC1 ZINC001314389004 1070240848 /nfs/dbraw/zinc/24/08/48/1070240848.db2.gz GCXHSBZENIIYHQ-UHFFFAOYSA-N 1 0 472.037 3.541 20 30 JHEDRO CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314409560 1070273918 /nfs/dbraw/zinc/27/39/18/1070273918.db2.gz RJYSHSXPCIHAEQ-UVWWXKGLSA-N 1 0 466.630 3.775 20 30 JHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cnnn2[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001308272722 1070349278 /nfs/dbraw/zinc/34/92/78/1070349278.db2.gz IBYUGCSMFHWXRS-CTNGQTDRSA-N 1 0 454.575 3.821 20 30 JHEDRO CCOc1cc(C[NH2+]C2CCN(c3ccccc3C#N)CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC001308483256 1070380905 /nfs/dbraw/zinc/38/09/05/1070380905.db2.gz MKZRVXBQHWGPOJ-IBGZPJMESA-N 1 0 450.583 3.571 20 30 JHEDRO CCOc1cc(C[NH2+]C2CCN(c3ccccc3C#N)CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC001308483257 1070381057 /nfs/dbraw/zinc/38/10/57/1070381057.db2.gz MKZRVXBQHWGPOJ-LJQANCHMSA-N 1 0 450.583 3.571 20 30 JHEDRO CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001314490059 1070401419 /nfs/dbraw/zinc/40/14/19/1070401419.db2.gz IRICOECTWBZGRI-GGAORHGYSA-N 1 0 466.630 3.856 20 30 JHEDRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314517819 1070495683 /nfs/dbraw/zinc/49/56/83/1070495683.db2.gz OFVVEEQWKKZDLZ-RLSLOFABSA-N 1 0 486.686 3.587 20 30 JHEDRO Cc1ccc(Br)c(CS(=O)(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c1 ZINC001309064392 1070517437 /nfs/dbraw/zinc/51/74/37/1070517437.db2.gz PQLXBOXKJNRHCE-UHFFFAOYSA-N 1 0 450.402 3.523 20 30 JHEDRO CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001313521541 1070589260 /nfs/dbraw/zinc/58/92/60/1070589260.db2.gz ODKMTNORASBZJK-LOSJGSFVSA-N 1 0 480.657 3.959 20 30 JHEDRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)[NH+](C)C)CC1 ZINC001313543155 1070639789 /nfs/dbraw/zinc/63/97/89/1070639789.db2.gz VQNQQBURKAQALD-IBGZPJMESA-N 1 0 481.645 3.993 20 30 JHEDRO CC[N@H+](C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@](C)(C#N)C2)c1 ZINC001313574816 1070690264 /nfs/dbraw/zinc/69/02/64/1070690264.db2.gz MVSLPTFVICWJGO-SANMLTNESA-N 1 0 491.665 3.900 20 30 JHEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)C1CCCCC1 ZINC001313586224 1070711488 /nfs/dbraw/zinc/71/14/88/1070711488.db2.gz SOUKGTZQBLJOIR-DEOSSOPVSA-N 1 0 477.657 3.918 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 ZINC001314647296 1070749583 /nfs/dbraw/zinc/74/95/83/1070749583.db2.gz PXLDEGKQAAEUEG-RTWAWAEBSA-N 1 0 487.446 3.947 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1)c1cccs1 ZINC001314651394 1070761223 /nfs/dbraw/zinc/76/12/23/1070761223.db2.gz BKCDTMSZMIPIFO-WMZHIEFXSA-N 1 0 465.558 3.535 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@](F)(C#N)C1)c1ccco1 ZINC001314652120 1070762500 /nfs/dbraw/zinc/76/25/00/1070762500.db2.gz DHAXQQNVDTWDBG-AVRDEDQJSA-N 1 0 458.925 3.848 20 30 JHEDRO C[NH+](C)C1(Cn2c(-c3cccc(Br)c3)nnc2N2CCO[C@@H](C#N)C2)CCCCC1 ZINC001314652324 1070762962 /nfs/dbraw/zinc/76/29/62/1070762962.db2.gz GUBMMGYMIVHGAC-IBGZPJMESA-N 1 0 473.419 3.701 20 30 JHEDRO C[NH+](C)[C@]1(Cn2c(-c3cc(F)ccc3Br)nnc2N2CC[C@@](F)(C#N)C2)CCSC1 ZINC001314654221 1070768439 /nfs/dbraw/zinc/76/84/39/1070768439.db2.gz XGHMEIWTOBHBQC-UXHICEINSA-N 1 0 497.413 3.726 20 30 JHEDRO C[NH+](C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CCOCC1 ZINC001314657994 1070778456 /nfs/dbraw/zinc/77/84/56/1070778456.db2.gz NCYSZOQEWQDMBP-LJQANCHMSA-N 1 0 492.546 3.618 20 30 JHEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001309517257 1070822212 /nfs/dbraw/zinc/82/22/12/1070822212.db2.gz UQDQGVYMNMYWRX-XMMPIXPASA-N 1 0 453.608 3.878 20 30 JHEDRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCC[NH+]2CCCC2)CC1 ZINC001313654434 1070838704 /nfs/dbraw/zinc/83/87/04/1070838704.db2.gz LLBVORVZFNHWGS-UHFFFAOYSA-N 1 0 492.672 3.667 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 ZINC001313664354 1070876745 /nfs/dbraw/zinc/87/67/45/1070876745.db2.gz BFMVPOODQBIVSC-KNQAVFIVSA-N 1 0 495.653 3.802 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@](C)(C#N)C1)c1ccsc1 ZINC001313671428 1070899384 /nfs/dbraw/zinc/89/93/84/1070899384.db2.gz IZACCYQXYBJABW-NZQKXSOJSA-N 1 0 452.632 3.953 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 ZINC001313673811 1070909270 /nfs/dbraw/zinc/90/92/70/1070909270.db2.gz GVHVHTJRWLQAIE-VXKWHMMOSA-N 1 0 478.597 3.879 20 30 JHEDRO CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC[NH+]1CCSCC1 ZINC001314741992 1070980289 /nfs/dbraw/zinc/98/02/89/1070980289.db2.gz ZQEPHKZYEUHDMZ-FGZHOGPDSA-N 1 0 468.671 3.754 20 30 JHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccn2C(F)F)C1 ZINC001313703593 1070987406 /nfs/dbraw/zinc/98/74/06/1070987406.db2.gz ZRJHQIDWDAXMLN-SFHVURJKSA-N 1 0 454.529 3.625 20 30 JHEDRO CC[NH+](CC)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@H](C)C#N ZINC001313717590 1071017334 /nfs/dbraw/zinc/01/73/34/1071017334.db2.gz FUQNWTDQTODTGV-LJQANCHMSA-N 1 0 461.655 3.720 20 30 JHEDRO CC[NH+](CC)CCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(C)(C#N)CC1 ZINC001313720843 1071022125 /nfs/dbraw/zinc/02/21/25/1071022125.db2.gz RZWWHKFQSIQUDV-UHFFFAOYSA-N 1 0 478.439 3.524 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2cnc(C)s2)CC1 ZINC001313721661 1071025226 /nfs/dbraw/zinc/02/52/26/1071025226.db2.gz ICNBWWGQXXKWQC-LJQANCHMSA-N 1 0 478.670 3.634 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001313722624 1071027404 /nfs/dbraw/zinc/02/74/04/1071027404.db2.gz DMDOEBZBBBBYMF-LJQANCHMSA-N 1 0 479.032 3.922 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001313725870 1071034115 /nfs/dbraw/zinc/03/41/15/1071034115.db2.gz SYLRORJPRAUQOU-XXBNENTESA-N 1 0 469.609 3.587 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(c2ccnn2C)CC1 ZINC001313727538 1071037226 /nfs/dbraw/zinc/03/72/26/1071037226.db2.gz UPYQDOUFBKFCJD-HXUWFJFHSA-N 1 0 476.629 3.577 20 30 JHEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001310130251 1071141576 /nfs/dbraw/zinc/14/15/76/1071141576.db2.gz GGJAPRKWJJRWIA-PMACEKPBSA-N 1 0 456.612 3.620 20 30 JHEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 ZINC001310182805 1071188591 /nfs/dbraw/zinc/18/85/91/1071188591.db2.gz VQOPPHPASJWHIU-IQWWUADYSA-N 1 0 451.637 3.522 20 30 JHEDRO CN(CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](C2CCCC2)CC1)CC(F)(F)F ZINC001314848613 1071209346 /nfs/dbraw/zinc/20/93/46/1071209346.db2.gz MAGBVEOYGUQPAY-UHFFFAOYSA-N 1 0 475.563 3.766 20 30 JHEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OC)C1)CCC(F)(F)F ZINC001313807475 1071228757 /nfs/dbraw/zinc/22/87/57/1071228757.db2.gz OSPDKAQYGHUUSR-IBGZPJMESA-N 1 0 450.509 3.706 20 30 JHEDRO C[N@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](F)(C#N)C1)C1CCCCC1 ZINC001314858547 1071244392 /nfs/dbraw/zinc/24/43/92/1071244392.db2.gz KDFLXIDGPLVYPN-HXUWFJFHSA-N 1 0 464.387 3.742 20 30 JHEDRO CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)OCCOC)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC001313884318 1071463537 /nfs/dbraw/zinc/46/35/37/1071463537.db2.gz NXOMCPGHKXWPSQ-IRLDBZIGSA-N 1 0 464.614 3.509 20 30 JHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@H](C#N)C1 ZINC001313906002 1071523326 /nfs/dbraw/zinc/52/33/26/1071523326.db2.gz XAKFXTPLGNRBPR-RTWAWAEBSA-N 1 0 452.603 3.502 20 30 JHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](C#N)C1 ZINC001313908360 1071530420 /nfs/dbraw/zinc/53/04/20/1071530420.db2.gz MZGKJIUOJFFRJZ-OALUTQOASA-N 1 0 473.419 3.619 20 30 JHEDRO CC[NH+]1CCN([C@@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@@H](C)CC#N)CC1 ZINC001313926994 1071578771 /nfs/dbraw/zinc/57/87/71/1071578771.db2.gz GXWWSBIXEIIFOH-VXKWHMMOSA-N 1 0 481.689 3.919 20 30 JHEDRO CC[NH+]1CCN(c2ccc(Cn3c(-c4cccc(C#N)c4)nnc3N(C)CC(C)(C)C)cn2)CC1 ZINC001313934162 1071601031 /nfs/dbraw/zinc/60/10/31/1071601031.db2.gz PQGZCCIGGDKCTB-UHFFFAOYSA-N 1 0 472.641 3.884 20 30 JHEDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001313949084 1071635239 /nfs/dbraw/zinc/63/52/39/1071635239.db2.gz HMZKURFOALDRQY-FQEVSTJZSA-N 1 0 493.059 3.775 20 30 JHEDRO CCN1CC[NH+](CCCCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001313953454 1071648984 /nfs/dbraw/zinc/64/89/84/1071648984.db2.gz FUHCZYNSLDJLQN-DHIUTWEWSA-N 1 0 479.673 3.629 20 30 JHEDRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001313957434 1071660712 /nfs/dbraw/zinc/66/07/12/1071660712.db2.gz GPYCLUKDRXSORE-UHFFFAOYSA-N 1 0 474.028 3.895 20 30 JHEDRO CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c2ccccc2c1=O ZINC001313959176 1071666241 /nfs/dbraw/zinc/66/62/41/1071666241.db2.gz MCZYXVQSCPRUSC-RTWAWAEBSA-N 1 0 490.656 3.783 20 30 JHEDRO CCO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001314065471 1071911013 /nfs/dbraw/zinc/91/10/13/1071911013.db2.gz KPLHXECDBGDBSY-SQJMNOBHSA-N 1 0 480.657 3.957 20 30 JHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001306320226 1068748026 /nfs/dbraw/zinc/74/80/26/1068748026.db2.gz RRGFUERYOLSQSX-QHCPKHFHSA-N 1 0 477.657 3.776 20 30 JHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCCOC)C1 ZINC001306320558 1068749570 /nfs/dbraw/zinc/74/95/70/1068749570.db2.gz WLHXHJZXEZYNBG-ZEQRLZLVSA-N 1 0 466.630 3.713 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCCOC)C1 ZINC001306320557 1068749595 /nfs/dbraw/zinc/74/95/95/1068749595.db2.gz WLHXHJZXEZYNBG-RPWUZVMVSA-N 1 0 466.630 3.713 20 30 JHEDRO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H](C)O1 ZINC001306405246 1068872412 /nfs/dbraw/zinc/87/24/12/1068872412.db2.gz CDUDVYXZRQRTFO-QTDGGUCWSA-N 1 0 466.630 3.708 20 30 JHEDRO C[N@@H+]1CC[C@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001310521795 1068998203 /nfs/dbraw/zinc/99/82/03/1068998203.db2.gz ZEQTZPLYTWCIAQ-UZLBHIALSA-N 1 0 453.909 3.746 20 30 JHEDRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001306500306 1069057774 /nfs/dbraw/zinc/05/77/74/1069057774.db2.gz YLOSXWCWIKHXHY-RPWUZVMVSA-N 1 0 477.657 3.822 20 30 JHEDRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306500891 1069062091 /nfs/dbraw/zinc/06/20/91/1069062091.db2.gz SQHHCAVHYDTAJA-QFIPXVFZSA-N 1 0 495.697 3.529 20 30 JHEDRO CCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001306510212 1069101317 /nfs/dbraw/zinc/10/13/17/1069101317.db2.gz WIKNPRVTZYXYDW-UHFFFAOYSA-N 1 0 477.657 3.824 20 30 JHEDRO CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCC(C)CC2)CC1 ZINC001306510550 1069101911 /nfs/dbraw/zinc/10/19/11/1069101911.db2.gz YODMWMXMYQLNGV-UHFFFAOYSA-N 1 0 477.657 3.824 20 30 JHEDRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCCCC2)C1 ZINC001306517816 1069129149 /nfs/dbraw/zinc/12/91/49/1069129149.db2.gz IPFNMZCFNUUDOM-QHCPKHFHSA-N 1 0 477.657 3.825 20 30 JHEDRO CCC[C@](C)(O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001306534536 1069178146 /nfs/dbraw/zinc/17/81/46/1069178146.db2.gz FWVWVVFHGAANRR-MHZLTWQESA-N 1 0 473.625 3.784 20 30 JHEDRO CCOC(=O)c1c(NC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)c(C#N)cn1CC ZINC001310893285 1069212181 /nfs/dbraw/zinc/21/21/81/1069212181.db2.gz ZYEKLRJOEZDDMF-UHFFFAOYSA-N 1 0 457.962 3.996 20 30 JHEDRO C#C[C@@H](C)NC(=O)Nc1cc(Br)ccc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC001311088131 1069269480 /nfs/dbraw/zinc/26/94/80/1069269480.db2.gz NYILMECDCXFGIN-GOSISDBHSA-N 1 0 455.400 3.910 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164624030 719046939 /nfs/dbraw/zinc/04/69/39/719046939.db2.gz NQLDENARPXAYSX-PGRDOPGGSA-N 1 0 460.912 3.912 20 30 JHEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(SC)nc(Cl)c1C#N)CC2 ZINC001164712104 720092627 /nfs/dbraw/zinc/09/26/27/720092627.db2.gz VOBIJJPROGPROQ-KRWDZBQOSA-N 1 0 459.019 3.626 20 30 JHEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(COc3ccc(CC#N)cc3)cn1)CCC2 ZINC001164814021 720237819 /nfs/dbraw/zinc/23/78/19/720237819.db2.gz TXCOFWIJSDNMKW-UHFFFAOYSA-N 1 0 472.593 3.534 20 30 JHEDRO C[NH+](C)C[C@H]1Cn2ccnc2CN(C(F)(F)c2cc(-c3cccc(C#N)c3)nnc2Cl)C1 ZINC001164734711 720535926 /nfs/dbraw/zinc/53/59/26/720535926.db2.gz KRLJXFYIUNIPDE-INIZCTEOSA-N 1 0 457.916 3.608 20 30 JHEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC2(C[C@@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164836410 720713948 /nfs/dbraw/zinc/71/39/48/720713948.db2.gz ABYMWQGDZZYLIC-YADHBBJMSA-N 1 0 485.588 3.670 20 30 JHEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C#N ZINC001164744475 720836193 /nfs/dbraw/zinc/83/61/93/720836193.db2.gz KEYDNQQHQRQQAS-MQSCRBSSSA-N 1 0 486.649 3.708 20 30 JHEDRO N#Cc1ccc2ncnc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164751648 720877653 /nfs/dbraw/zinc/87/76/53/720877653.db2.gz LPVVMTABSYZKEN-WNCULLNHSA-N 1 0 454.578 3.652 20 30 JHEDRO N#Cc1cc(C#N)c(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1Cl ZINC001164750575 720888313 /nfs/dbraw/zinc/88/83/13/720888313.db2.gz BKCIMPGEZXMXMT-RCZVLFRGSA-N 1 0 462.985 3.628 20 30 JHEDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncc(C#N)c3sc(-c4ccccc4)cc31)CC2 ZINC001164752295 720955735 /nfs/dbraw/zinc/95/57/35/720955735.db2.gz VQPPOSMFSAYEOV-UHFFFAOYSA-N 1 0 472.574 3.677 20 30 JHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cc1F ZINC001164862751 721094939 /nfs/dbraw/zinc/09/49/39/721094939.db2.gz ABXNAPCPHAOKNO-OALUTQOASA-N 1 0 464.932 3.682 20 30 JHEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(-c5cccc(C#N)c5)nnc4Cl)C[C@@H]3C2)cn1 ZINC001164765006 721247981 /nfs/dbraw/zinc/24/79/81/721247981.db2.gz QNEHHAJKRVLQJO-PMACEKPBSA-N 1 0 483.954 3.905 20 30 JHEDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncc(C#N)c4sc(-c5ccccc5)cc43)CC2)C1 ZINC001164872916 721275248 /nfs/dbraw/zinc/27/52/48/721275248.db2.gz IIGLWTZLPPVPSO-UHFFFAOYSA-N 1 0 489.645 3.842 20 30 JHEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@]3(C2)CCC[C@H](C[NH+]2CCN(C)CC2)O3)c1C#N ZINC001164885157 721420994 /nfs/dbraw/zinc/42/09/94/721420994.db2.gz FYDYQKKLWDCXOZ-RLWLMLJZSA-N 1 0 478.666 3.503 20 30 JHEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4ccccc4C#N)C3)O2)CC1 ZINC001164887073 721450153 /nfs/dbraw/zinc/45/01/53/721450153.db2.gz IMHZAAMWMZGKSF-CPJSRVTESA-N 1 0 483.016 3.559 20 30 JHEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4cccc(C#N)c4)C3)O2)CC1 ZINC001164887364 721450265 /nfs/dbraw/zinc/45/02/65/721450265.db2.gz JVUOMVYSWAOPAR-BWKNWUBXSA-N 1 0 483.016 3.559 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccnc(Cl)c1C#N)CC2 ZINC001164785295 721451917 /nfs/dbraw/zinc/45/19/17/721451917.db2.gz IHDUOCZRWMUNNV-SFHVURJKSA-N 1 0 468.976 3.885 20 30 JHEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc5cc(F)c(F)cc5c(Cl)c4C#N)C3)O2)CC1 ZINC001164888361 721453836 /nfs/dbraw/zinc/45/38/36/721453836.db2.gz LSFVSBRWUZUCBD-FYSMJZIKSA-N 1 0 475.971 3.803 20 30 JHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164885902 721454038 /nfs/dbraw/zinc/45/40/38/721454038.db2.gz FWGOXPQLOGYHDI-CLOONOSVSA-N 1 0 454.018 3.834 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)CC2 ZINC001164782676 721458848 /nfs/dbraw/zinc/45/88/48/721458848.db2.gz ASOCRHQMTSYMPO-HXUWFJFHSA-N 1 0 468.976 3.885 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)c(C#N)c1)CC2 ZINC001164783693 721460308 /nfs/dbraw/zinc/46/03/08/721460308.db2.gz FIKKGXLJBWNDFG-HXUWFJFHSA-N 1 0 468.976 3.885 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904213 721695467 /nfs/dbraw/zinc/69/54/67/721695467.db2.gz DUIBGXKFUDAKLZ-QFIPXVFZSA-N 1 0 475.927 3.916 20 30 JHEDRO CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CCCC[C@@H]2CC)CCO1 ZINC001306633269 1069336380 /nfs/dbraw/zinc/33/63/80/1069336380.db2.gz RULXSOHNHBATSE-LADGPHEKSA-N 1 0 466.630 3.999 20 30 JHEDRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1 ZINC001306677915 1069402444 /nfs/dbraw/zinc/40/24/44/1069402444.db2.gz FAHVJUPWOTXSSN-DEOSSOPVSA-N 1 0 466.630 3.571 20 30 JHEDRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)CC1 ZINC001306680287 1069407240 /nfs/dbraw/zinc/40/72/40/1069407240.db2.gz MGWFRTHBUUJFKS-UHFFFAOYSA-N 1 0 464.643 3.973 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2ccccc2Cl)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001306683603 1069417306 /nfs/dbraw/zinc/41/73/06/1069417306.db2.gz XQYIPBCJKDHKJU-IBGZPJMESA-N 1 0 494.047 3.707 20 30 JHEDRO CCCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[N@@H+]2CCCC(C)(C)C2)cc1OC ZINC001306748888 1069540248 /nfs/dbraw/zinc/54/02/48/1069540248.db2.gz MSZVTVZPINVPAM-QFIPXVFZSA-N 1 0 496.656 3.983 20 30 JHEDRO CCC[N@H+](CC)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CC#N ZINC001306804369 1069613640 /nfs/dbraw/zinc/61/36/40/1069613640.db2.gz NOHVQTGFIPPIEZ-UXHICEINSA-N 1 0 461.655 3.863 20 30 JHEDRO CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCC[N@@H+]2CCC)CC1=O ZINC001307062702 1069859891 /nfs/dbraw/zinc/85/98/91/1069859891.db2.gz UTMDOJPZIQHFCF-QHCPKHFHSA-N 1 0 463.630 3.530 20 30 JHEDRO CC(C)[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)C[C@@H](O)COc1cccc2ccccc21 ZINC001307458656 1069996254 /nfs/dbraw/zinc/99/62/54/1069996254.db2.gz JIIGFXAUHVAARY-JOCHJYFZSA-N 1 0 456.542 3.590 20 30 JHEDRO CC(C)(C)OC(=O)N1CCC(CC[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 ZINC001307542253 1070042899 /nfs/dbraw/zinc/04/28/99/1070042899.db2.gz QJEGSCAIYUNJHN-UHFFFAOYSA-N 1 0 455.559 3.965 20 30 JHEDRO CSc1ccccc1OC[C@@H](O)C[N@H+](C(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001307845731 1070209601 /nfs/dbraw/zinc/20/96/01/1070209601.db2.gz STQYZTCGZZCNCB-VXKWHMMOSA-N 1 0 453.608 3.926 20 30 JHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001307938795 1070249990 /nfs/dbraw/zinc/24/99/90/1070249990.db2.gz OAWJZJXPIBUNLC-IAGOWNOFSA-N 1 0 457.493 3.971 20 30 JHEDRO CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001314405508 1070268309 /nfs/dbraw/zinc/26/83/09/1070268309.db2.gz CZWSAWXBINDCGN-UPVQGACJSA-N 1 0 466.630 3.632 20 30 JHEDRO N#Cc1ccc(N2CCC([NH2+]Cc3ncc(Br)cc3Br)CC2)nc1 ZINC001308240213 1070344315 /nfs/dbraw/zinc/34/43/15/1070344315.db2.gz GJMOPXVFTPQVHK-UHFFFAOYSA-N 1 0 451.166 3.632 20 30 JHEDRO CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC[C@@H](C)[NH+]2CCCCC2)c2ccccc2c1=O ZINC001313452117 1070381559 /nfs/dbraw/zinc/38/15/59/1070381559.db2.gz FQZIEUFOHCMHHX-LEWJYISDSA-N 1 0 490.656 3.925 20 30 JHEDRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001313468017 1070446031 /nfs/dbraw/zinc/44/60/31/1070446031.db2.gz DXEFAIJMBPBYJQ-OAQYLSRUSA-N 1 0 477.657 3.681 20 30 JHEDRO CC(C)(C)OC(=O)N1CC(c2cc(C[NH2+]C3CCN(Cc4cccc(C#N)c4)CC3)on2)C1 ZINC001308842943 1070446873 /nfs/dbraw/zinc/44/68/73/1070446873.db2.gz KMWCVBQMUNJQKN-UHFFFAOYSA-N 1 0 451.571 3.635 20 30 JHEDRO CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001313521539 1070589035 /nfs/dbraw/zinc/58/90/35/1070589035.db2.gz ODKMTNORASBZJK-JWQCQUIFSA-N 1 0 480.657 3.959 20 30 JHEDRO CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001313520608 1070586753 /nfs/dbraw/zinc/58/67/53/1070586753.db2.gz DLHMRBPCRZBKAH-LOSJGSFVSA-N 1 0 480.657 3.959 20 30 JHEDRO C[NH+](C)C1(Cn2c(-c3ccc(Br)cc3)nnc2N(CCC#N)CC2CC2)CCOCC1 ZINC001314653317 1070765246 /nfs/dbraw/zinc/76/52/46/1070765246.db2.gz MRMFIOAKEJRTHN-UHFFFAOYSA-N 1 0 487.446 3.948 20 30 JHEDRO C[NH+](C)C1(Cn2c(COc3ccc(Cl)cc3Cl)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 ZINC001314657967 1070777852 /nfs/dbraw/zinc/77/78/52/1070777852.db2.gz MESJHAAURBGQQR-NRFANRHFSA-N 1 0 497.402 3.717 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(c2ncccc2F)CC1 ZINC001314664894 1070796121 /nfs/dbraw/zinc/79/61/21/1070796121.db2.gz FXSRCLWKKXHFPQ-UHFFFAOYSA-N 1 0 476.604 3.655 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 ZINC001314665622 1070797746 /nfs/dbraw/zinc/79/77/46/1070797746.db2.gz GHEHEELHPCJWSL-ISKFKSNPSA-N 1 0 493.700 3.983 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC([C@@H]2CCOC2)CC1 ZINC001314665608 1070797765 /nfs/dbraw/zinc/79/77/65/1070797765.db2.gz FTDJMZSDKJVJET-JOCHJYFZSA-N 1 0 466.630 3.569 20 30 JHEDRO C[NH+](C)CCCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@](C)(C#N)C2)cc1 ZINC001314670026 1070810386 /nfs/dbraw/zinc/81/03/86/1070810386.db2.gz NEYHGQIPNJWPLG-BKMJKUGQSA-N 1 0 466.630 3.681 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001313659171 1070862260 /nfs/dbraw/zinc/86/22/60/1070862260.db2.gz FRRCCVXIGMWXHI-PMACEKPBSA-N 1 0 481.645 3.993 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnccn1)c1ccco1 ZINC001313672655 1070904071 /nfs/dbraw/zinc/90/40/71/1070904071.db2.gz IHSUJVPVJBHZQB-JOCHJYFZSA-N 1 0 456.554 3.919 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C#N)CC1)c1ccccc1 ZINC001313676668 1070922105 /nfs/dbraw/zinc/92/21/05/1070922105.db2.gz YSGCUAMYAWFKIB-DEOSSOPVSA-N 1 0 460.630 3.963 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccco1 ZINC001313679481 1070935533 /nfs/dbraw/zinc/93/55/33/1070935533.db2.gz QUKJRQLADCCQQP-UNMCSNQZSA-N 1 0 491.644 3.529 20 30 JHEDRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccc(C#N)o2)CC1 ZINC001313696179 1070962659 /nfs/dbraw/zinc/96/26/59/1070962659.db2.gz FOGQOKUGDSSLTJ-UHFFFAOYSA-N 1 0 464.570 3.689 20 30 JHEDRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC001313697746 1070968227 /nfs/dbraw/zinc/96/82/27/1070968227.db2.gz STUVRRWUKPPXKO-FNZWTVRRSA-N 1 0 466.630 3.590 20 30 JHEDRO N#Cc1ccc(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)cc1C(F)(F)F ZINC001309849939 1070995163 /nfs/dbraw/zinc/99/51/63/1070995163.db2.gz RKONUTLRWYWRPT-QZTJIDSGSA-N 1 0 477.430 3.918 20 30 JHEDRO CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001313784360 1071154754 /nfs/dbraw/zinc/15/47/54/1071154754.db2.gz VZBZZKZTGJKGLB-LGVFNWMJSA-N 1 0 466.630 3.854 20 30 JHEDRO CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC(C)(C)CCC[NH+](C)C)c1 ZINC001310182650 1071188563 /nfs/dbraw/zinc/18/85/63/1071188563.db2.gz UCFQDDRVGXHZSO-QQTULTPQSA-N 1 0 451.637 3.522 20 30 JHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3CO)cc2)nc1 ZINC001310211129 1071208456 /nfs/dbraw/zinc/20/84/56/1071208456.db2.gz OYHCCLCVBWCZLZ-QPPBQGQZSA-N 1 0 457.534 3.750 20 30 JHEDRO CC[N@H+](CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@H](C#N)C1)C(C)C ZINC001313805414 1071219454 /nfs/dbraw/zinc/21/94/54/1071219454.db2.gz PKJXNYYJZYARCR-HXUWFJFHSA-N 1 0 465.627 3.836 20 30 JHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1)CCC(F)(F)F ZINC001313806849 1071226537 /nfs/dbraw/zinc/22/65/37/1071226537.db2.gz ZTTQWHOAUHPMTH-XLIONFOSSA-N 1 0 464.536 3.952 20 30 JHEDRO C[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CCCC1 ZINC001314862622 1071256800 /nfs/dbraw/zinc/25/68/00/1071256800.db2.gz VGZXUUYUGJHTFM-OAQYLSRUSA-N 1 0 479.629 3.795 20 30 JHEDRO C[N@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)C1)C1CCCCC1 ZINC001314866202 1071269516 /nfs/dbraw/zinc/26/95/16/1071269516.db2.gz BNEQBPIVZHLQEK-UHFFFAOYSA-N 1 0 452.603 3.608 20 30 JHEDRO CC[N@H+](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1)C(C)C ZINC001313825081 1071292998 /nfs/dbraw/zinc/29/29/98/1071292998.db2.gz AIVGNJPHYOHJSO-DHIUTWEWSA-N 1 0 494.688 3.520 20 30 JHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(Br)n2)C[C@H]1C ZINC001313859963 1071366304 /nfs/dbraw/zinc/36/63/04/1071366304.db2.gz JJSZSHJYPLSQJG-IAGOWNOFSA-N 1 0 480.414 3.941 20 30 JHEDRO C[N@H+](CCNC(=O)C1CCN(C(=O)Nc2ccc(C#N)cc2Cl)CC1)Cc1ccccc1 ZINC001310422854 1071382027 /nfs/dbraw/zinc/38/20/27/1071382027.db2.gz DIVDFZNAIXYKLT-UHFFFAOYSA-N 1 0 453.974 3.704 20 30 JHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC001313887679 1071474320 /nfs/dbraw/zinc/47/43/20/1071474320.db2.gz XKJVBHYGZVQOHJ-NRFANRHFSA-N 1 0 493.656 3.994 20 30 JHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCc1cccs1 ZINC001313904645 1071518987 /nfs/dbraw/zinc/51/89/87/1071518987.db2.gz RNNUHSFQQDDCNT-HXUWFJFHSA-N 1 0 450.612 3.953 20 30 JHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@H](C#N)C1 ZINC001313905998 1071523565 /nfs/dbraw/zinc/52/35/65/1071523565.db2.gz XAKFXTPLGNRBPR-LEWJYISDSA-N 1 0 452.603 3.502 20 30 JHEDRO CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC001315020142 1071539676 /nfs/dbraw/zinc/53/96/76/1071539676.db2.gz AIQXUBGEJXJSAH-NRFANRHFSA-N 1 0 477.638 3.534 20 30 JHEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Br)s3)nnc2N(C)[C@H](C)CC#N)CC1 ZINC001313922347 1071564531 /nfs/dbraw/zinc/56/45/31/1071564531.db2.gz WAAVAPPWPRFQHT-HZPDHXFCSA-N 1 0 480.480 3.533 20 30 JHEDRO CC[NH+]1CCN(c2ccc(Cn3c(CC(C)(C)C)nnc3N3CCC(C)(C#N)CC3)cn2)CC1 ZINC001313932473 1071595574 /nfs/dbraw/zinc/59/55/74/1071595574.db2.gz GTUAACXYLXDIFG-UHFFFAOYSA-N 1 0 464.662 3.582 20 30 JHEDRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(CC)(CC)SC)C2)CC1 ZINC001313945846 1071627435 /nfs/dbraw/zinc/62/74/35/1071627435.db2.gz VOBKVYQKZIUVKT-QHCPKHFHSA-N 1 0 481.714 3.955 20 30 JHEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC(C#N)CC2)CC1 ZINC001313952282 1071645136 /nfs/dbraw/zinc/64/51/36/1071645136.db2.gz YSDAHIWRWRZHLF-LJQANCHMSA-N 1 0 486.064 3.621 20 30 JHEDRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC001314030385 1071802189 /nfs/dbraw/zinc/80/21/89/1071802189.db2.gz FJHXKAWPKJFVRX-IMSXRSKXSA-N 1 0 493.656 3.900 20 30 JHEDRO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC001314030933 1071803828 /nfs/dbraw/zinc/80/38/28/1071803828.db2.gz YSDIFSVUQIZDAB-PMOQBDJRSA-N 1 0 479.629 3.650 20 30 JHEDRO CCOC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001314047590 1071866284 /nfs/dbraw/zinc/86/62/84/1071866284.db2.gz CKHDKOWJJFIHKP-OYRHEFFESA-N 1 0 480.657 3.957 20 30 JHEDRO CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC2CC[NH+](CCC(C)C)CC2)CCOC1 ZINC001314112967 1072008167 /nfs/dbraw/zinc/00/81/67/1072008167.db2.gz OCXAWHFJXPBPNP-SANMLTNESA-N 1 0 472.678 3.818 20 30 JHEDRO CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001305941330 1068250413 /nfs/dbraw/zinc/25/04/13/1068250413.db2.gz QKAXGDRTMMZZME-YIXXDRMTSA-N 1 0 477.657 3.580 20 30 JHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(F)(F)F ZINC001306321473 1068751600 /nfs/dbraw/zinc/75/16/00/1068751600.db2.gz CPYHBTUZMWPZPZ-SFHVURJKSA-N 1 0 450.509 3.992 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001306325859 1068763176 /nfs/dbraw/zinc/76/31/76/1068763176.db2.gz VMCQMIJPTGHCIC-PXDATVDWSA-N 1 0 458.651 3.713 20 30 JHEDRO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CCS1 ZINC001306406471 1068876298 /nfs/dbraw/zinc/87/62/98/1068876298.db2.gz XXRKBDRBTABOOS-FCHUYYIVSA-N 1 0 454.644 3.505 20 30 JHEDRO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC001310555626 1069014973 /nfs/dbraw/zinc/01/49/73/1069014973.db2.gz ABWPOYRWYIPXHS-OALUTQOASA-N 1 0 454.596 3.926 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC([NH+]2CCC(C(=O)OCC)CC2)CC1 ZINC001164617967 719028523 /nfs/dbraw/zinc/02/85/23/719028523.db2.gz STMVSKLYTOQQFJ-UHFFFAOYSA-N 1 0 498.958 3.572 20 30 JHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1)C2 ZINC001164807849 720121385 /nfs/dbraw/zinc/12/13/85/720121385.db2.gz CTUKEYVYPASZNG-HOYKHHGWSA-N 1 0 455.965 3.992 20 30 JHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1)C2 ZINC001164807894 720121889 /nfs/dbraw/zinc/12/18/89/720121889.db2.gz CTUKEYVYPASZNG-UUOWRZLLSA-N 1 0 455.965 3.992 20 30 JHEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164712252 720154446 /nfs/dbraw/zinc/15/44/46/720154446.db2.gz LTXJRKHUNHNRGO-JOCHJYFZSA-N 1 0 472.549 3.917 20 30 JHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cnc(Cl)nc1Oc1ccccc1C#N)C2 ZINC001164815281 720198292 /nfs/dbraw/zinc/19/82/92/720198292.db2.gz YHBLTYFHEPZHAM-CYFREDJKSA-N 1 0 453.974 3.979 20 30 JHEDRO 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 720568834 /nfs/dbraw/zinc/56/88/34/720568834.db2.gz YKKNNNKHUMCDBP-YTFSRNRJSA-N 1 0 479.701 3.671 20 30 JHEDRO N#Cc1cnc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164738141 720707849 /nfs/dbraw/zinc/70/78/49/720707849.db2.gz ILSLZGUFTXEJIQ-PMACEKPBSA-N 1 0 454.559 3.967 20 30 JHEDRO N#Cc1cc2c(nc1N1CC[C@@]3(C1)C[N@H+](CC1CC1)C[C@H]3COCc1cccnc1)CCCC2 ZINC001164752247 720910315 /nfs/dbraw/zinc/91/03/15/720910315.db2.gz NUKVOTDJBIJPCG-LSYYVWMOSA-N 1 0 457.622 3.982 20 30 JHEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164860728 720978797 /nfs/dbraw/zinc/97/87/97/720978797.db2.gz PQNQAAFQVKLTPU-SFHVURJKSA-N 1 0 453.663 3.715 20 30 JHEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(-c5cccc(C#N)c5)nnc4Cl)C[C@H]3C2)cn1 ZINC001164765020 721247749 /nfs/dbraw/zinc/24/77/49/721247749.db2.gz QNEHHAJKRVLQJO-VQTJNVASSA-N 1 0 483.954 3.905 20 30 JHEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1C#N ZINC001164885153 721421245 /nfs/dbraw/zinc/42/12/45/721421245.db2.gz FYDYQKKLWDCXOZ-LVXARBLLSA-N 1 0 478.666 3.503 20 30 JHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164890363 721453983 /nfs/dbraw/zinc/45/39/83/721453983.db2.gz REAAGZZKLOECOU-IQGLISFBSA-N 1 0 472.008 3.973 20 30 JHEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(COc3ccc(CC#N)cc3)cn2)[C@@H]2CCCO[C@H]12 ZINC001164801074 721580434 /nfs/dbraw/zinc/58/04/34/721580434.db2.gz DPNMBUKOKXVAGC-GTNKKZTPSA-N 1 0 469.589 3.990 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165017807 721807261 /nfs/dbraw/zinc/80/72/61/721807261.db2.gz ASTJUFZPZGEIMG-NDXORKPFSA-N 1 0 453.974 3.915 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165017803 721807445 /nfs/dbraw/zinc/80/74/45/721807445.db2.gz ASTJUFZPZGEIMG-DQLDELGASA-N 1 0 453.974 3.915 20 30 JHEDRO 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 721828156 /nfs/dbraw/zinc/82/81/56/721828156.db2.gz VCIFLIJBZDITIL-ZHHKINOHSA-N 1 0 462.598 3.557 20 30 JHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982815 722101758 /nfs/dbraw/zinc/10/17/58/722101758.db2.gz PETTULMLBLRXNE-MAUKXSAKSA-N 1 0 468.335 3.927 20 30 JHEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995488 722208358 /nfs/dbraw/zinc/20/83/58/722208358.db2.gz NUBCVQYJNBWATR-RXFWQSSRSA-N 1 0 459.525 3.794 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC#N ZINC001306722336 1069459690 /nfs/dbraw/zinc/45/96/90/1069459690.db2.gz HDNIAHBYNRTAOO-WOJBJXKFSA-N 1 0 486.690 3.631 20 30 JHEDRO COc1ccccc1[C@H](CNC(=O)N1CCN(c2ccsc2C#N)CC1)[NH+]1CCCCC1 ZINC001311623514 1069473801 /nfs/dbraw/zinc/47/38/01/1069473801.db2.gz VTMXGYFIOITFQR-NRFANRHFSA-N 1 0 453.612 3.687 20 30 JHEDRO CCOc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC2([NH+](C)C)CCC2)cc1OC ZINC001314171591 1069685930 /nfs/dbraw/zinc/68/59/30/1069685930.db2.gz BLOZIXCWZCKHDN-UHFFFAOYSA-N 1 0 452.603 3.967 20 30 JHEDRO CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](c2cccs2)[NH+](C)C)cc1 ZINC001314201156 1069794493 /nfs/dbraw/zinc/79/44/93/1069794493.db2.gz IYKCUDDKDGFALD-STZQEDGTSA-N 1 0 496.637 3.910 20 30 JHEDRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2Cc2nccn2C(F)F)CC1 ZINC001307052148 1069807372 /nfs/dbraw/zinc/80/73/72/1069807372.db2.gz ZXNJHOYYDPJLGS-UHFFFAOYSA-N 1 0 484.555 3.679 20 30 JHEDRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001314204334 1069812103 /nfs/dbraw/zinc/81/21/03/1069812103.db2.gz XEYIEYOHOTYVFG-NZQKXSOJSA-N 1 0 482.629 3.810 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncnn1CC(F)F ZINC001307053531 1069813056 /nfs/dbraw/zinc/81/30/56/1069813056.db2.gz DIHZCWYLSTXGMF-HXUWFJFHSA-N 1 0 483.571 3.574 20 30 JHEDRO CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001314221274 1069871164 /nfs/dbraw/zinc/87/11/64/1069871164.db2.gz WHHRENIDGDEJFV-VWLOTQADSA-N 1 0 470.593 3.820 20 30 JHEDRO 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 1069946215 /nfs/dbraw/zinc/94/62/15/1069946215.db2.gz FWDSNKWSZQLTTG-RBZQAINGSA-N 1 0 480.657 3.813 20 30 JHEDRO CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCSCC2)C1(C)C ZINC001314244748 1069957221 /nfs/dbraw/zinc/95/72/21/1069957221.db2.gz PQZXZOBPLHMWOX-NHCUHLMSSA-N 1 0 454.644 3.505 20 30 JHEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H](O)Cn2c(=O)onc2-c2ccccc2)cc1 ZINC001307535764 1070039993 /nfs/dbraw/zinc/03/99/93/1070039993.db2.gz QEFAGCMWGOPEDS-DEOSSOPVSA-N 1 0 458.493 3.577 20 30 JHEDRO COc1cc(Br)cc(CNC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)c1 ZINC001312944144 1070191916 /nfs/dbraw/zinc/19/19/16/1070191916.db2.gz ATMPQKLQATXIFJ-UHFFFAOYSA-N 1 0 457.372 3.793 20 30 JHEDRO C[N@@H+](Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N)C[C@H](O)c1cccc(Br)c1 ZINC001307838096 1070206587 /nfs/dbraw/zinc/20/65/87/1070206587.db2.gz ARZIBGOQOJCJND-PXNSSMCTSA-N 1 0 451.324 3.652 20 30 JHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001307920146 1070242520 /nfs/dbraw/zinc/24/25/20/1070242520.db2.gz XKUPXJANKLXRCA-OALHLCOBSA-N 1 0 460.594 3.951 20 30 JHEDRO CC1(C)[C@@H](c2ccccc2F)CC[N@@H+]1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC001308008829 1070277752 /nfs/dbraw/zinc/27/77/52/1070277752.db2.gz RQGCCTDAQIJTGG-ISKFKSNPSA-N 1 0 452.549 3.942 20 30 JHEDRO C=CCOc1ccc(C[NH2+]CC(=O)Nc2ccc(I)cc2)cc1OC ZINC001308405128 1070371704 /nfs/dbraw/zinc/37/17/04/1070371704.db2.gz MYLVGKCEGSECRE-UHFFFAOYSA-N 1 0 452.292 3.593 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@](F)(C#N)C1 ZINC001313448984 1070373284 /nfs/dbraw/zinc/37/32/84/1070373284.db2.gz DVCSKBIDWPOMKP-RLSLOFABSA-N 1 0 489.640 3.709 20 30 JHEDRO C#CCOc1ccc(Br)cc1C[NH2+]C[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 ZINC001308514473 1070383799 /nfs/dbraw/zinc/38/37/99/1070383799.db2.gz VKINAWGNGSUMSR-OAQYLSRUSA-N 1 0 453.377 3.577 20 30 JHEDRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[C@H]2OC)C[C@H]1CC ZINC001314496702 1070418808 /nfs/dbraw/zinc/41/88/08/1070418808.db2.gz RUTIROQHZZHBQT-RBZQAINGSA-N 1 0 466.630 3.569 20 30 JHEDRO CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001313479503 1070490923 /nfs/dbraw/zinc/49/09/23/1070490923.db2.gz VGGVRQYZJNQOOX-FYYLOGMGSA-N 1 0 477.657 3.824 20 30 JHEDRO CCCOc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC2([NH+](C)C)CCOCC2)cc1OC ZINC001313503742 1070534980 /nfs/dbraw/zinc/53/49/80/1070534980.db2.gz QYQUQPWBCDVKHA-UHFFFAOYSA-N 1 0 482.629 3.593 20 30 JHEDRO CCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001313520453 1070585702 /nfs/dbraw/zinc/58/57/02/1070585702.db2.gz ADBQWCGKSDCKTC-XMMPIXPASA-N 1 0 479.673 3.628 20 30 JHEDRO Cn1cc(Br)cc1-c1nnc(N2CCC(C#N)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001314647495 1070750159 /nfs/dbraw/zinc/75/01/59/1070750159.db2.gz SIZQNKDGXRIKRM-GOSISDBHSA-N 1 0 472.391 3.682 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1)c1cccs1 ZINC001314650251 1070757943 /nfs/dbraw/zinc/75/79/43/1070757943.db2.gz ZFIRTBWLCPTDRE-MSOLQXFVSA-N 1 0 487.427 3.801 20 30 JHEDRO C[NH+](C)[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC=C(Br)C2)CCSC1 ZINC001314652309 1070763131 /nfs/dbraw/zinc/76/31/31/1070763131.db2.gz GRYDRALFWJYODJ-NRFANRHFSA-N 1 0 473.444 3.743 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)c1cccs1 ZINC001314657594 1070777390 /nfs/dbraw/zinc/77/73/90/1070777390.db2.gz YPUWJVBTKXVEBF-HXUWFJFHSA-N 1 0 478.670 3.824 20 30 JHEDRO C[NH+](C)[C@@]1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@@](C)(C#N)C2)CCSC1 ZINC001314659144 1070780449 /nfs/dbraw/zinc/78/04/49/1070780449.db2.gz MGJPMJMQCHLTRK-XZOQPEGZSA-N 1 0 460.598 3.714 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC001314667916 1070803453 /nfs/dbraw/zinc/80/34/53/1070803453.db2.gz LEQPJMXBOMDXEA-QHCPKHFHSA-N 1 0 465.646 3.696 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C#N)C1)c1ccco1 ZINC001313673808 1070909325 /nfs/dbraw/zinc/90/93/25/1070909325.db2.gz GVHVHTJRWLQAIE-FGZHOGPDSA-N 1 0 478.597 3.879 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1)c1ccco1 ZINC001313678404 1070929155 /nfs/dbraw/zinc/92/91/55/1070929155.db2.gz OHHMUIDBWZYNTL-NHCUHLMSSA-N 1 0 453.635 3.719 20 30 JHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2nc(C)cc2C)C1 ZINC001313701699 1070981254 /nfs/dbraw/zinc/98/12/54/1070981254.db2.gz JPRWROGNJOTZCX-HSZRJFAPSA-N 1 0 460.630 3.889 20 30 JHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccn2C(F)F)C1 ZINC001313703592 1070987341 /nfs/dbraw/zinc/98/73/41/1070987341.db2.gz ZRJHQIDWDAXMLN-GOSISDBHSA-N 1 0 454.529 3.625 20 30 JHEDRO CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C1CCCCC1)[NH+](C)C ZINC001314814112 1071116234 /nfs/dbraw/zinc/11/62/34/1071116234.db2.gz QHSKXLXLNDNZSI-XUZZJYLKSA-N 1 0 466.630 3.712 20 30 JHEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001310130253 1071141634 /nfs/dbraw/zinc/14/16/34/1071141634.db2.gz GGJAPRKWJJRWIA-UXHICEINSA-N 1 0 456.612 3.620 20 30 JHEDRO CC[N@H+](CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@](C)(C#N)C1)C(C)C ZINC001313805113 1071218272 /nfs/dbraw/zinc/21/82/72/1071218272.db2.gz NHQGXDVYOCPEGE-NRFANRHFSA-N 1 0 462.440 3.906 20 30 JHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC(F)(F)F)CC1)C(C)C ZINC001313805596 1071220560 /nfs/dbraw/zinc/22/05/60/1071220560.db2.gz LVBORMHZWIWETD-UHFFFAOYSA-N 1 0 463.552 3.621 20 30 JHEDRO C[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)CC1)C1CCCCC1 ZINC001314858789 1071245839 /nfs/dbraw/zinc/24/58/39/1071245839.db2.gz PWQBFESLQAIFFT-UHFFFAOYSA-N 1 0 475.563 3.766 20 30 JHEDRO CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCCC2)CC1)C(=O)OC(C)(C)C ZINC001314859082 1071247119 /nfs/dbraw/zinc/24/71/19/1071247119.db2.gz XGIGJIUPASWBSC-UHFFFAOYSA-N 1 0 479.629 3.748 20 30 JHEDRO CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC001314862137 1071254599 /nfs/dbraw/zinc/25/45/99/1071254599.db2.gz NSXMDUSVVZQKBC-QFIPXVFZSA-N 1 0 479.629 3.748 20 30 JHEDRO CC[N@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nc(C)cs2)CC1)C(C)C ZINC001313820915 1071279684 /nfs/dbraw/zinc/27/96/84/1071279684.db2.gz XKEYUGQRTRDJAO-UHFFFAOYSA-N 1 0 494.669 3.551 20 30 JHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N(CCC#N)CC1CC1 ZINC001314925046 1071367868 /nfs/dbraw/zinc/36/78/68/1071367868.db2.gz RDDVQPHZZVHKRI-HXUWFJFHSA-N 1 0 469.659 3.520 20 30 JHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 ZINC001314928610 1071371528 /nfs/dbraw/zinc/37/15/28/1071371528.db2.gz NKJRLEYDGOQOFI-MOPGFXCFSA-N 1 0 462.520 3.705 20 30 JHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2cc(C)oc2C)C[C@@H]1C ZINC001313868329 1071404304 /nfs/dbraw/zinc/40/43/04/1071404304.db2.gz NWQRTGZUTAQUFT-XWXLMPLOSA-N 1 0 462.598 3.853 20 30 JHEDRO CC(C)[N@@H+](Cc1ccc(NC(=O)NCCNc2ncccc2C#N)cc1)C[C@@H]1CCCCO1 ZINC001310490303 1071428375 /nfs/dbraw/zinc/42/83/75/1071428375.db2.gz NKOYLIGSDVAXRS-QHCPKHFHSA-N 1 0 450.587 3.966 20 30 JHEDRO CC[NH+]1CCC(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001313881281 1071454453 /nfs/dbraw/zinc/45/44/53/1071454453.db2.gz IPVFEYJRVDDAQA-DEOSSOPVSA-N 1 0 466.630 3.712 20 30 JHEDRO CC[N@@H+]1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001313891545 1071485182 /nfs/dbraw/zinc/48/51/82/1071485182.db2.gz XIGDAKKPDWVBHO-IBGZPJMESA-N 1 0 465.989 3.755 20 30 JHEDRO CC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CC#N)CC1 ZINC001313906069 1071523537 /nfs/dbraw/zinc/52/35/37/1071523537.db2.gz PIIVQYCCFDCVSY-SFTDATJTSA-N 1 0 471.650 3.964 20 30 JHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001313916117 1071551997 /nfs/dbraw/zinc/55/19/97/1071551997.db2.gz WBQMBDFOMLEBSM-GJZUVCINSA-N 1 0 466.630 3.999 20 30 JHEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001313924436 1071570351 /nfs/dbraw/zinc/57/03/51/1071570351.db2.gz FVRNXAPQPDPUKB-GHTZIAJQSA-N 1 0 475.563 3.621 20 30 JHEDRO CC[NH+]1CCN([C@@H](C)Cn2c(CSc3ccccc3OC)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001313928880 1071585437 /nfs/dbraw/zinc/58/54/37/1071585437.db2.gz WLEOYGROFGPDKH-NRFANRHFSA-N 1 0 497.713 3.735 20 30 JHEDRO CCN1CC[NH+](C[C@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001313951287 1071641644 /nfs/dbraw/zinc/64/16/44/1071641644.db2.gz SNEWECJTAWTFAT-VXKWHMMOSA-N 1 0 497.663 3.961 20 30 JHEDRO CCN1CC[NH+](CCCCn2c(Cc3ccccc3C)nnc2N2CCC[C@](C)(C#N)C2)CC1 ZINC001313954399 1071651296 /nfs/dbraw/zinc/65/12/96/1071651296.db2.gz PXZLEDUKGXOJAN-HHHXNRCGSA-N 1 0 463.674 3.725 20 30 JHEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001313957269 1071660016 /nfs/dbraw/zinc/66/00/16/1071660016.db2.gz QFDSTZYMTMPMKE-OAQYLSRUSA-N 1 0 451.663 3.648 20 30 JHEDRO CC[NH+]1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCC[C@@H](C)C2)CC1 ZINC001313961521 1071672825 /nfs/dbraw/zinc/67/28/25/1071672825.db2.gz UCKLOHGDOKQJCN-VWNXMTODSA-N 1 0 479.673 3.771 20 30 JHEDRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC001314030387 1071802024 /nfs/dbraw/zinc/80/20/24/1071802024.db2.gz FJHXKAWPKJFVRX-PQNGQFLHSA-N 1 0 493.656 3.900 20 30 JHEDRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001314033800 1071815012 /nfs/dbraw/zinc/81/50/12/1071815012.db2.gz PUEPWJMIMFZBHT-YADHBBJMSA-N 1 0 493.637 3.896 20 30 JHEDRO CCc1nc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC[N@H+]2CC=CCC2)cs1 ZINC001306031830 1068433734 /nfs/dbraw/zinc/43/37/34/1068433734.db2.gz BKGWTKAZXCDKEX-UHFFFAOYSA-N 1 0 463.611 3.646 20 30 JHEDRO CCc1nn(C)c(CC)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC001306045016 1068464869 /nfs/dbraw/zinc/46/48/69/1068464869.db2.gz JZEOHFXOPASRSW-PMACEKPBSA-N 1 0 490.656 3.554 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N ZINC001306318499 1068742256 /nfs/dbraw/zinc/74/22/56/1068742256.db2.gz NZUFZASYORCPTP-GHTZIAJQSA-N 1 0 472.037 3.864 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cccc(C#N)c1 ZINC001306321142 1068751151 /nfs/dbraw/zinc/75/11/51/1068751151.db2.gz BCRHQLXXCRPVFZ-XMMPIXPASA-N 1 0 460.630 3.912 20 30 JHEDRO CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC2CCOCC2)CC[N@@H+]1CCOC ZINC001306409470 1068888560 /nfs/dbraw/zinc/88/85/60/1068888560.db2.gz KAGHFHGFQBWQPX-DEOSSOPVSA-N 1 0 466.630 3.571 20 30 JHEDRO CC[C@H]1CN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(C#N)o2)CC[N@@H+]1CCOC ZINC001306454544 1068976523 /nfs/dbraw/zinc/97/65/23/1068976523.db2.gz MXDVJBKXBCKVDS-NRFANRHFSA-N 1 0 478.597 3.534 20 30 JHEDRO C[C@@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccc(Br)c(C#N)n3)cc2)C[C@@H](C)O1 ZINC001311072157 1069264371 /nfs/dbraw/zinc/26/43/71/1069264371.db2.gz HHNYFTMRPTYYRF-HUUCEWRRSA-N 1 0 458.360 3.647 20 30 JHEDRO C[NH+](C)C[C@H](NC(=O)Nc1ccc(C#N)cc1I)c1ccc(F)cc1 ZINC001311209353 1069298192 /nfs/dbraw/zinc/29/81/92/1069298192.db2.gz IPZZVWMPWQZWOX-KRWDZBQOSA-N 1 0 452.271 3.726 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc(CC#N)cc3Cl)CC2)c2ccccc21 ZINC001164687233 719680715 /nfs/dbraw/zinc/68/07/15/719680715.db2.gz RHATYLMZDHHZMD-FQEVSTJZSA-N 1 0 466.029 3.894 20 30 JHEDRO CSc1nc(Cl)c(C=NO)c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1 ZINC001164696147 719889278 /nfs/dbraw/zinc/88/92/78/719889278.db2.gz ZPSZBRSGPPPKJM-UHFFFAOYSA-N 1 0 454.021 3.593 20 30 JHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1cccc(C#N)c1)C2 ZINC001164811962 720198151 /nfs/dbraw/zinc/19/81/51/720198151.db2.gz KNEATWWWHXYVGW-NTKDMRAZSA-N 1 0 453.974 3.979 20 30 JHEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)CCC2 ZINC001164814582 720210261 /nfs/dbraw/zinc/21/02/61/720210261.db2.gz URXZWPRUCDEVQM-UHFFFAOYSA-N 1 0 471.339 3.612 20 30 JHEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc(Cl)nc1Oc1ccc(C#N)cc1)CCC2 ZINC001164816858 720246050 /nfs/dbraw/zinc/24/60/50/720246050.db2.gz NFXKIXVTPQABNC-UHFFFAOYSA-N 1 0 479.972 3.601 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cnc(Cl)nc2Oc2ccc(C#N)cc2)CC1 ZINC001164825298 720353029 /nfs/dbraw/zinc/35/30/29/720353029.db2.gz JIWZKBRSFIHTCM-NHCUHLMSSA-N 1 0 481.000 3.705 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cnc(Cl)nc2Oc2ccccc2C#N)CC1 ZINC001164823580 720353222 /nfs/dbraw/zinc/35/32/22/720353222.db2.gz HCYFOLVKHNKBIO-VQTJNVASSA-N 1 0 481.000 3.705 20 30 JHEDRO C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C)CC2 ZINC001164840302 720720937 /nfs/dbraw/zinc/72/09/37/720720937.db2.gz OTPOTZQNMABPDW-VXKWHMMOSA-N 1 0 477.609 3.685 20 30 JHEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C#N ZINC001164744471 720836262 /nfs/dbraw/zinc/83/62/62/720836262.db2.gz KEYDNQQHQRQQAS-FUPPJEDESA-N 1 0 486.649 3.708 20 30 JHEDRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(C#N)cc4)c3)CC[C@@H]2C1 ZINC001164856952 720892251 /nfs/dbraw/zinc/89/22/51/720892251.db2.gz INBAKYYACQFKIF-KNQAVFIVSA-N 1 0 476.955 3.992 20 30 JHEDRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4ccc(C#N)cc4)c3)CC[C@@H]2C1 ZINC001164856951 720892474 /nfs/dbraw/zinc/89/24/74/720892474.db2.gz INBAKYYACQFKIF-DENIHFKCSA-N 1 0 476.955 3.992 20 30 JHEDRO N#Cc1c2c(cnc1N1CC[C@]3(C1)C[N@H+](CC1CC1)C[C@H]3COCc1cccnc1)CCCC2 ZINC001164749972 720938925 /nfs/dbraw/zinc/93/89/25/720938925.db2.gz IQMISBIRJRPWTO-RBJSKKJNSA-N 1 0 457.622 3.982 20 30 JHEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4cccc(C#N)c4)C3)O2)CC1 ZINC001164887373 721450024 /nfs/dbraw/zinc/45/00/24/721450024.db2.gz JVUOMVYSWAOPAR-SQJMNOBHSA-N 1 0 483.016 3.559 20 30 JHEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4cccc(C#N)c4)C3)O2)CC1 ZINC001164887366 721450456 /nfs/dbraw/zinc/45/04/56/721450456.db2.gz JVUOMVYSWAOPAR-OFVILXPXSA-N 1 0 483.016 3.559 20 30 JHEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4nc5cc(F)c(F)cc5c(Cl)c4C#N)C3)O2)CC1 ZINC001164888368 721453968 /nfs/dbraw/zinc/45/39/68/721453968.db2.gz LSFVSBRWUZUCBD-VOIUYBSRSA-N 1 0 475.971 3.803 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)ccc1C#N)CC2 ZINC001164785700 721461004 /nfs/dbraw/zinc/46/10/04/721461004.db2.gz MTAJTHICSZNTGB-LJQANCHMSA-N 1 0 468.976 3.885 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(OC)nc(Cl)c1C#N)CC2 ZINC001164782697 721462315 /nfs/dbraw/zinc/46/23/15/721462315.db2.gz BAXKLSGLGZZRCA-GOSISDBHSA-N 1 0 499.002 3.894 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C#N)c(Cl)cc1Cl)CC2 ZINC001164791668 721470557 /nfs/dbraw/zinc/47/05/57/721470557.db2.gz XKMNGUCOAKGMJS-KRWDZBQOSA-N 1 0 453.414 3.994 20 30 JHEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164912939 721723962 /nfs/dbraw/zinc/72/39/62/721723962.db2.gz RINACHAHRWVAPL-UQBPGWFLSA-N 1 0 492.530 3.543 20 30 JHEDRO CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164912172 721732322 /nfs/dbraw/zinc/73/23/22/721732322.db2.gz MJVYQRXNDRITBW-CYFREDJKSA-N 1 0 484.551 3.558 20 30 JHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nc(SC)nc(Cl)c2C=NO)CC1 ZINC001165021519 721839418 /nfs/dbraw/zinc/83/94/18/721839418.db2.gz NKTMOWUYRAFEQJ-UHFFFAOYSA-N 1 0 466.007 3.778 20 30 JHEDRO Cc1nc(C#Cc2ccnc(N3CC[C@H]4[C@@H]3CCN4CC[NH+](C)C)c2)c(C)n1-c1ccc(F)cc1 ZINC001164928085 721863773 /nfs/dbraw/zinc/86/37/73/721863773.db2.gz XTZAUAXBZXLCJX-SVBPBHIXSA-N 1 0 472.612 3.638 20 30 JHEDRO C[NH+](C)[C@H]1CCCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001165037839 721895350 /nfs/dbraw/zinc/89/53/50/721895350.db2.gz ZMRVGRGIVHSDEG-LAUBAEHRSA-N 1 0 469.998 3.852 20 30 JHEDRO Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC[C@H]([NH+](C)C)C2)cc1C ZINC001165036044 721895734 /nfs/dbraw/zinc/89/57/34/721895734.db2.gz REDUWPKROMXXOZ-WMZHIEFXSA-N 1 0 463.607 3.816 20 30 JHEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995563 722210897 /nfs/dbraw/zinc/21/08/97/722210897.db2.gz JSIBSPOFRHBSGI-CJFMBICVSA-N 1 0 451.546 3.809 20 30 JHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001311493272 1069404164 /nfs/dbraw/zinc/40/41/64/1069404164.db2.gz LGJDVOIYRCRDRD-NBGIEHNGSA-N 1 0 459.594 3.927 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001306681400 1069410578 /nfs/dbraw/zinc/41/05/78/1069410578.db2.gz LSAJOQMFAHCOBU-LJQANCHMSA-N 1 0 494.047 3.707 20 30 JHEDRO CCCC[N@H+](C)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 ZINC001306681982 1069411999 /nfs/dbraw/zinc/41/19/99/1069411999.db2.gz YZSADXPABCKMRB-UHFFFAOYSA-N 1 0 472.037 3.723 20 30 JHEDRO CCCC[N@H+](C)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001306686809 1069423200 /nfs/dbraw/zinc/42/32/00/1069423200.db2.gz XSPDGBOTCQBZDP-UHFFFAOYSA-N 1 0 455.626 3.936 20 30 JHEDRO CC(C)(C)OC(=O)N1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)[C@@H](C#N)C1 ZINC001311729143 1069524519 /nfs/dbraw/zinc/52/45/19/1069524519.db2.gz ZDZYQLKULVUHHS-VXKWHMMOSA-N 1 0 455.603 3.621 20 30 JHEDRO CCCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001306799594 1069604933 /nfs/dbraw/zinc/60/49/33/1069604933.db2.gz PLOMRNDNIWINFE-PMACEKPBSA-N 1 0 454.619 3.853 20 30 JHEDRO CCC[N@H+](CC)CCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@@H](C)CC#N ZINC001306804368 1069613674 /nfs/dbraw/zinc/61/36/74/1069613674.db2.gz NOHVQTGFIPPIEZ-PMACEKPBSA-N 1 0 461.655 3.863 20 30 JHEDRO CCC[N@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 ZINC001306807249 1069621700 /nfs/dbraw/zinc/62/17/00/1069621700.db2.gz QLRBGRINPADQGH-GOSISDBHSA-N 1 0 463.552 3.621 20 30 JHEDRO N#Cc1cccc([C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)CCO2)c1 ZINC001311993187 1069655382 /nfs/dbraw/zinc/65/53/82/1069655382.db2.gz FTLJSJRANGVSGK-YADHBBJMSA-N 1 0 458.484 3.934 20 30 JHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)c1ncnc2ccc(I)cc21 ZINC001306994555 1069696331 /nfs/dbraw/zinc/69/63/31/1069696331.db2.gz AZRBGKIXMXXIOR-UHFFFAOYSA-N 1 0 457.319 3.674 20 30 JHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001312126578 1069733523 /nfs/dbraw/zinc/73/35/23/1069733523.db2.gz CSMVSVIZJQPQLN-XXBNENTESA-N 1 0 452.002 3.954 20 30 JHEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001307040186 1069765982 /nfs/dbraw/zinc/76/59/82/1069765982.db2.gz WVEWIHGTZHGLDL-RRPUWOKSSA-N 1 0 493.656 3.898 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(COC)CC1 ZINC001307058906 1069841815 /nfs/dbraw/zinc/84/18/15/1069841815.db2.gz OMNSGDQNXOSMHQ-HSZRJFAPSA-N 1 0 466.630 3.856 20 30 JHEDRO CCOc1ccccc1OCc1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001314223810 1069881780 /nfs/dbraw/zinc/88/17/80/1069881780.db2.gz XCHBZUIRFWYZHL-QFIPXVFZSA-N 1 0 496.656 3.743 20 30 JHEDRO CCO[C@@H]1C[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2([NH+](C)C)CCSC2)C1(C)C ZINC001314246280 1069961817 /nfs/dbraw/zinc/96/18/17/1069961817.db2.gz ABWRFNMRRSZRAD-VRUMLPLGSA-N 1 0 498.697 3.806 20 30 JHEDRO CCO[C@@H]1C[C@@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@]2([NH+](C)C)CCSC2)C1(C)C ZINC001314246282 1069961982 /nfs/dbraw/zinc/96/19/82/1069961982.db2.gz ABWRFNMRRSZRAD-XLGIIRLISA-N 1 0 498.697 3.806 20 30 JHEDRO CCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC001314277112 1070036421 /nfs/dbraw/zinc/03/64/21/1070036421.db2.gz VRXPWJCOTORGBF-DEOSSOPVSA-N 1 0 496.656 3.623 20 30 JHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC1=CCN(C(=O)OC(C)(C)C)CC1 ZINC001312633059 1070055209 /nfs/dbraw/zinc/05/52/09/1070055209.db2.gz SLHPHJVPRMJZBM-UHFFFAOYSA-N 1 0 455.603 3.589 20 30 JHEDRO CCOCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001314288552 1070065902 /nfs/dbraw/zinc/06/59/02/1070065902.db2.gz VOTIGXSRGIUPGG-QFIPXVFZSA-N 1 0 466.630 3.856 20 30 JHEDRO CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001314374623 1070213165 /nfs/dbraw/zinc/21/31/65/1070213165.db2.gz NBUVUKZPGZWDBG-HSZRJFAPSA-N 1 0 479.673 3.915 20 30 JHEDRO CCOCc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@]1(C)CCCS1 ZINC001314378211 1070220905 /nfs/dbraw/zinc/22/09/05/1070220905.db2.gz JJXLSGOYTVGTJJ-DEOSSOPVSA-N 1 0 454.644 3.684 20 30 JHEDRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)C1 ZINC001307919853 1070241494 /nfs/dbraw/zinc/24/14/94/1070241494.db2.gz WNXRLTHBTBEMDV-QLBJFCOMSA-N 1 0 465.594 3.875 20 30 JHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001307938796 1070250202 /nfs/dbraw/zinc/25/02/02/1070250202.db2.gz OAWJZJXPIBUNLC-IRXDYDNUSA-N 1 0 457.493 3.971 20 30 JHEDRO N#Cc1ccc(N2CCC[C@@H]([NH2+]Cc3cc(Br)c4c(c3)OCCCO4)C2=O)cc1 ZINC001308369123 1070362303 /nfs/dbraw/zinc/36/23/03/1070362303.db2.gz HPNWGMIGLAYGMH-LJQANCHMSA-N 1 0 456.340 3.767 20 30 JHEDRO C#CCCOc1ccc(C[NH2+]C[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)cc1 ZINC001308383516 1070365396 /nfs/dbraw/zinc/36/53/96/1070365396.db2.gz ZNCFEVJJVLGHCK-FQEVSTJZSA-N 1 0 455.521 3.662 20 30 JHEDRO C=CCOc1c(Br)cc(C[NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)cc1OC ZINC001308479257 1070380236 /nfs/dbraw/zinc/38/02/36/1070380236.db2.gz HYLFKYUSVAFTLM-QZTJIDSGSA-N 1 0 473.433 3.505 20 30 JHEDRO CCOCCN(CC)c1nnc(-c2cccc(C#N)c2)n1CC[N@@H+]1CCc2sccc2C1 ZINC001314473865 1070384767 /nfs/dbraw/zinc/38/47/67/1070384767.db2.gz WPTQKEUMTXQEQP-UHFFFAOYSA-N 1 0 450.612 3.799 20 30 JHEDRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCO[C@H](C)C2)C[C@@H]1CC ZINC001314496492 1070418056 /nfs/dbraw/zinc/41/80/56/1070418056.db2.gz RJYHPYLSURGGDA-RQTOMXEWSA-N 1 0 480.657 3.959 20 30 JHEDRO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C#N)o2)C[C@H]1CC ZINC001314498852 1070425764 /nfs/dbraw/zinc/42/57/64/1070425764.db2.gz SPGZDQOSZPSUCA-UEVCKROQSA-N 1 0 484.645 3.647 20 30 JHEDRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001313467779 1070445347 /nfs/dbraw/zinc/44/53/47/1070445347.db2.gz SOHKRCHIRHLGNQ-UPVQGACJSA-N 1 0 477.657 3.680 20 30 JHEDRO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001313472384 1070466458 /nfs/dbraw/zinc/46/64/58/1070466458.db2.gz XYJUNXCZICQIFS-UHFFFAOYSA-N 1 0 477.657 3.681 20 30 JHEDRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC001314517822 1070495644 /nfs/dbraw/zinc/49/56/44/1070495644.db2.gz OFVVEEQWKKZDLZ-ZYLNGJIFSA-N 1 0 486.686 3.587 20 30 JHEDRO CCCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCC[N@@H+]2CC)cc1OC ZINC001313504755 1070539729 /nfs/dbraw/zinc/53/97/29/1070539729.db2.gz KGBJQSHQHVEDMO-NTKDMRAZSA-N 1 0 456.566 3.669 20 30 JHEDRO CCCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCC[N@@H+]2CC)cc1OC ZINC001313504757 1070539831 /nfs/dbraw/zinc/53/98/31/1070539831.db2.gz KGBJQSHQHVEDMO-YADARESESA-N 1 0 456.566 3.669 20 30 JHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NS(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC001309116355 1070548706 /nfs/dbraw/zinc/54/87/06/1070548706.db2.gz VNJMXTNMKJJLMG-HNNXBMFYSA-N 1 0 450.967 3.532 20 30 JHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC001309116771 1070548724 /nfs/dbraw/zinc/54/87/24/1070548724.db2.gz ZICQXUXTRJRBQY-HNNXBMFYSA-N 1 0 450.967 3.532 20 30 JHEDRO CN(C(=O)OC(C)(C)C)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCCC2)C1 ZINC001314625011 1070711080 /nfs/dbraw/zinc/71/10/80/1070711080.db2.gz WFIGXUVTJPSMNQ-JOCHJYFZSA-N 1 0 479.629 3.748 20 30 JHEDRO CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C1CC1)[NH+](C)C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314649152 1070754919 /nfs/dbraw/zinc/75/49/19/1070754919.db2.gz SQAZJZHJWWLHNF-HSZRJFAPSA-N 1 0 493.656 3.993 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCC(C#N)CC1 ZINC001314668630 1070805568 /nfs/dbraw/zinc/80/55/68/1070805568.db2.gz TYCGRQYGJQCNRR-UHFFFAOYSA-N 1 0 473.666 3.720 20 30 JHEDRO CN(C)CC[NH+]1CCC(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(C#N)CC2)CC1 ZINC001314669700 1070808414 /nfs/dbraw/zinc/80/84/14/1070808414.db2.gz IDFPHXKBPRCYFU-UHFFFAOYSA-N 1 0 487.599 3.560 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC2(CCOCC2)C1 ZINC001313668786 1070893499 /nfs/dbraw/zinc/89/34/99/1070893499.db2.gz SNJCOSHUVUWPJI-OAQYLSRUSA-N 1 0 466.630 3.856 20 30 JHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)C1 ZINC001313702308 1070983481 /nfs/dbraw/zinc/98/34/81/1070983481.db2.gz OEOLHXIOVSXFQW-GOSISDBHSA-N 1 0 466.540 3.761 20 30 JHEDRO CC[NH+](CC)CCCn1c(C(C)C)nnc1N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC001313711164 1071005531 /nfs/dbraw/zinc/00/55/31/1071005531.db2.gz MVDSTAZGISUNES-UHFFFAOYSA-N 1 0 460.630 3.880 20 30 JHEDRO CC[NH+](CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313712421 1071008388 /nfs/dbraw/zinc/00/83/88/1071008388.db2.gz PNNBIUZMAOPAGT-KNQAVFIVSA-N 1 0 481.645 3.898 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC001313722217 1071026297 /nfs/dbraw/zinc/02/62/97/1071026297.db2.gz ZCKPMHRAWVYXKJ-XXBNENTESA-N 1 0 475.645 3.672 20 30 JHEDRO CCN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001313783622 1071151334 /nfs/dbraw/zinc/15/13/34/1071151334.db2.gz SVJNKIKDIWTRJI-ZFGGDYGUSA-N 1 0 496.656 3.622 20 30 JHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@H]3CO)cc2)nc1 ZINC001310211131 1071208765 /nfs/dbraw/zinc/20/87/65/1071208765.db2.gz OYHCCLCVBWCZLZ-XUZZJYLKSA-N 1 0 457.534 3.750 20 30 JHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cc(C)cn2)CC1)C(C)C ZINC001313805641 1071220415 /nfs/dbraw/zinc/22/04/15/1071220415.db2.gz MOOVLYCOUYPUHF-UHFFFAOYSA-N 1 0 460.630 3.969 20 30 JHEDRO C[N@H+](CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1)C1CCCC1 ZINC001314864506 1071263084 /nfs/dbraw/zinc/26/30/84/1071263084.db2.gz BIONEQJYHXQVQF-KBMIEXCESA-N 1 0 489.640 3.709 20 30 JHEDRO C[N@H+](CCn1c(N2CCN(c3cccc(F)c3C#N)CC2)nnc1C(C)(C)C)C1CCCC1 ZINC001314867535 1071274465 /nfs/dbraw/zinc/27/44/65/1071274465.db2.gz ONHLHBXAMTZAKZ-UHFFFAOYSA-N 1 0 453.610 3.787 20 30 JHEDRO CC[N@H+](CCn1c(N2CCN(c3ccc(C#N)cc3Cl)CC2)nnc1C(C)(C)C)C1CC1 ZINC001313821534 1071283015 /nfs/dbraw/zinc/28/30/15/1071283015.db2.gz CWCNPYULPRCJDO-UHFFFAOYSA-N 1 0 456.038 3.912 20 30 JHEDRO CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314934501 1071381616 /nfs/dbraw/zinc/38/16/16/1071381616.db2.gz PHMPMPPTQDVEEO-RBBKRZOGSA-N 1 0 477.657 3.680 20 30 JHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)CCC(C)C)C[C@H]1C ZINC001313874195 1071428053 /nfs/dbraw/zinc/42/80/53/1071428053.db2.gz GUGKZKKMZCTQPV-YZIHRLCOSA-N 1 0 468.646 3.835 20 30 JHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001313892289 1071486815 /nfs/dbraw/zinc/48/68/15/1071486815.db2.gz DIAJLBSXBMGMEN-KBMIEXCESA-N 1 0 468.602 3.585 20 30 JHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCC#N)CC1CC1 ZINC001313903940 1071516444 /nfs/dbraw/zinc/51/64/44/1071516444.db2.gz GBRWGEBLGVYWHR-RTWAWAEBSA-N 1 0 471.650 3.964 20 30 JHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313910601 1071535940 /nfs/dbraw/zinc/53/59/40/1071535940.db2.gz XIFMJGMZXACJGD-FCHUYYIVSA-N 1 0 479.629 3.795 20 30 JHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 ZINC001313913077 1071541910 /nfs/dbraw/zinc/54/19/10/1071541910.db2.gz KHTFZWCFUZDDNH-SFTDATJTSA-N 1 0 471.650 3.964 20 30 JHEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3sc(-c4ccccc4)nc3C)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001313919700 1071557365 /nfs/dbraw/zinc/55/73/65/1071557365.db2.gz FHTRTWHQCCEPMQ-WOJBJXKFSA-N 1 0 492.697 3.999 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC2CCCCC2)C[C@@H]1C ZINC001313942518 1071620315 /nfs/dbraw/zinc/62/03/15/1071620315.db2.gz JDSAPNNMEUVOPS-NRFANRHFSA-N 1 0 466.630 3.999 20 30 JHEDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Br)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001313950776 1071639982 /nfs/dbraw/zinc/63/99/82/1071639982.db2.gz QPONRRDRSHEYFN-OALUTQOASA-N 1 0 488.478 3.577 20 30 JHEDRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001313951286 1071641791 /nfs/dbraw/zinc/64/17/91/1071641791.db2.gz SNEWECJTAWTFAT-FGZHOGPDSA-N 1 0 497.663 3.961 20 30 JHEDRO CCN1CC[NH+](CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCSC(CC)(CC)C2)CC1 ZINC001313957805 1071661275 /nfs/dbraw/zinc/66/12/75/1071661275.db2.gz IZGYHIDWXLNSFL-UHFFFAOYSA-N 1 0 481.714 3.956 20 30 JHEDRO CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCC[N@@H+]2CCC[C@H](C)C2)c2ccccc2c1=O ZINC001313959174 1071666282 /nfs/dbraw/zinc/66/62/82/1071666282.db2.gz MCZYXVQSCPRUSC-LEWJYISDSA-N 1 0 490.656 3.783 20 30 JHEDRO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001314013382 1071750220 /nfs/dbraw/zinc/75/02/20/1071750220.db2.gz FAGQRPOMNLAKAL-QHCPKHFHSA-N 1 0 479.629 3.748 20 30 JHEDRO 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 1071794189 /nfs/dbraw/zinc/79/41/89/1071794189.db2.gz PVECORUCBQRGTC-TXTKFYIRSA-N 1 0 481.645 3.896 20 30 JHEDRO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC001314030936 1071803605 /nfs/dbraw/zinc/80/36/05/1071803605.db2.gz YSDIFSVUQIZDAB-WWPVKYPJSA-N 1 0 479.629 3.650 20 30 JHEDRO CCc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CC2(O)CC[NH+](C(C)C)CC2)cc1 ZINC001305934934 1068236346 /nfs/dbraw/zinc/23/63/46/1068236346.db2.gz CEZIIYFRHLTTQA-UHFFFAOYSA-N 1 0 450.631 3.873 20 30 JHEDRO CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001306193334 1068584288 /nfs/dbraw/zinc/58/42/88/1068584288.db2.gz LOJWPSXIIHADKQ-QHCPKHFHSA-N 1 0 453.610 3.688 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001306318015 1068740355 /nfs/dbraw/zinc/74/03/55/1068740355.db2.gz CUXNKGMVPAPYFM-RPWUZVMVSA-N 1 0 466.630 3.711 20 30 JHEDRO N#Cc1ccc(NC(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)cc1Br ZINC001310713458 1069128570 /nfs/dbraw/zinc/12/85/70/1069128570.db2.gz RFGYARQQDUOJNK-UHFFFAOYSA-N 1 0 457.372 3.859 20 30 JHEDRO C#C[C@H](C)NC(=O)Nc1cc(Br)ccc1CN1CC[NH+](Cc2ccccc2)CC1 ZINC001311088132 1069269388 /nfs/dbraw/zinc/26/93/88/1069269388.db2.gz NYILMECDCXFGIN-SFHVURJKSA-N 1 0 455.400 3.910 20 30 JHEDRO CCOC(=O)C1CC[NH+](C2CCN(c3nc(-c4ccccc4)nc(SC)c3C#N)CC2)CC1 ZINC001164617469 719028968 /nfs/dbraw/zinc/02/89/68/719028968.db2.gz MEJPDUTXBZAQEN-UHFFFAOYSA-N 1 0 465.623 3.981 20 30 JHEDRO CC(C)N(C)Cc1nn(C(F)(F)c2cc(-c3cccc(C#N)c3)nnc2Cl)c2c1CC[NH2+]C2 ZINC001164680951 719654187 /nfs/dbraw/zinc/65/41/87/719654187.db2.gz JPVMVGFGWKFXNH-UHFFFAOYSA-N 1 0 471.943 3.949 20 30 JHEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(C(F)(F)c2cc(-c3cccc(C#N)c3)nnc2Cl)C1 ZINC001164734712 720535772 /nfs/dbraw/zinc/53/57/72/720535772.db2.gz KRLJXFYIUNIPDE-MRXNPFEDSA-N 1 0 457.916 3.608 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCCn2cnc(C[NH2+]C3CCC3)c2C1 ZINC001164837412 720738151 /nfs/dbraw/zinc/73/81/51/720738151.db2.gz JAPQSLHBXUCKDX-UHFFFAOYSA-N 1 0 478.931 3.577 20 30 JHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866424 721198299 /nfs/dbraw/zinc/19/82/99/721198299.db2.gz ADQZUWMTPPTVAV-HZPDHXFCSA-N 1 0 455.896 3.913 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164790601 721471215 /nfs/dbraw/zinc/47/12/15/721471215.db2.gz RXMUEZYZSQZTJD-QFIPXVFZSA-N 1 0 479.581 3.749 20 30 JHEDRO N#CCc1ccc(OCc2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2)cc1 ZINC001164977038 722144222 /nfs/dbraw/zinc/14/42/22/722144222.db2.gz HYJBOYUQPPPJIM-XNMGPUDCSA-N 1 0 469.589 3.849 20 30 JHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164974675 722155808 /nfs/dbraw/zinc/15/58/08/722155808.db2.gz OUIJYQZIEPOOTJ-NZQKXSOJSA-N 1 0 476.968 3.916 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001306722295 1069459804 /nfs/dbraw/zinc/45/98/04/1069459804.db2.gz GLJCJWLSDXAUJW-RPWUZVMVSA-N 1 0 463.630 3.576 20 30 JHEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001306737637 1069507339 /nfs/dbraw/zinc/50/73/39/1069507339.db2.gz XNUIWJHEKBKPGF-IEXUWNMDSA-N 1 0 477.657 3.678 20 30 JHEDRO CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC001311729141 1069524653 /nfs/dbraw/zinc/52/46/53/1069524653.db2.gz ZDZYQLKULVUHHS-FCHUYYIVSA-N 1 0 455.603 3.621 20 30 JHEDRO C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)c1nc(N)nc(C(F)(F)C(F)(F)F)n1 ZINC001306994164 1069695510 /nfs/dbraw/zinc/69/55/10/1069695510.db2.gz SWFPKGIDDWGBSM-UHFFFAOYSA-N 1 0 458.357 3.695 20 30 JHEDRO CCC[NH+](CCC)CCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C ZINC001307009235 1069706355 /nfs/dbraw/zinc/70/63/55/1069706355.db2.gz PFJBJVHNCUUXBN-UHFFFAOYSA-N 1 0 452.651 3.681 20 30 JHEDRO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001312177116 1069766657 /nfs/dbraw/zinc/76/66/57/1069766657.db2.gz JSDZFUJOIUSEGI-QFIPXVFZSA-N 1 0 457.619 3.715 20 30 JHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CC2(COC)CCOCC2)CC1 ZINC001307049781 1069798157 /nfs/dbraw/zinc/79/81/57/1069798157.db2.gz NTMFIVBXQZXSRQ-UHFFFAOYSA-N 1 0 466.630 3.571 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 ZINC001307053385 1069812071 /nfs/dbraw/zinc/81/20/71/1069812071.db2.gz HPVMCCJVPUYCMV-UZKOGDIHSA-N 1 0 456.566 3.550 20 30 JHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@](F)(C#N)C1 ZINC001307053514 1069812840 /nfs/dbraw/zinc/81/28/40/1069812840.db2.gz DDOHSBBAJJCUJE-MHECFPHRSA-N 1 0 456.566 3.669 20 30 JHEDRO CCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CCCC(C)(C)C2)C1 ZINC001314273841 1070029597 /nfs/dbraw/zinc/02/95/97/1070029597.db2.gz FSNCJEZBZCRMRT-QHCPKHFHSA-N 1 0 466.630 3.856 20 30 JHEDRO CC(C)N1CC[NH+](C2CCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)CC1 ZINC001307646546 1070099387 /nfs/dbraw/zinc/09/93/87/1070099387.db2.gz ZGCNHVYNBFOGTM-IBGZPJMESA-N 1 0 457.688 3.706 20 30 JHEDRO COC(=O)C[C@](C)(NCC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1)c1ccncc1 ZINC001307757968 1070169271 /nfs/dbraw/zinc/16/92/71/1070169271.db2.gz WHUSNIZWUCBHGC-VWLOTQADSA-N 1 0 451.571 3.883 20 30 JHEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001312945655 1070193490 /nfs/dbraw/zinc/19/34/90/1070193490.db2.gz LMXKBRQSFMUDSU-RTBURBONSA-N 1 0 455.603 3.562 20 30 JHEDRO CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H](c1ccsc1)[NH+](C)C ZINC001314373855 1070212015 /nfs/dbraw/zinc/21/20/15/1070212015.db2.gz GVHWYUIDKRLXDL-HSZRJFAPSA-N 1 0 479.654 3.767 20 30 JHEDRO CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC[C@H](C)[NH+]1CCCCC1 ZINC001314392450 1070248558 /nfs/dbraw/zinc/24/85/58/1070248558.db2.gz YZZXTKFSZYVSGQ-FQEVSTJZSA-N 1 0 486.064 3.931 20 30 JHEDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001313141521 1070267422 /nfs/dbraw/zinc/26/74/22/1070267422.db2.gz YWPNOYHAMYGBFI-HYBUGGRVSA-N 1 0 459.594 3.686 20 30 JHEDRO CCOCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001314458364 1070359555 /nfs/dbraw/zinc/35/95/55/1070359555.db2.gz XFZUKOGYXAGPLL-DEOSSOPVSA-N 1 0 466.630 3.573 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001313449321 1070374467 /nfs/dbraw/zinc/37/44/67/1070374467.db2.gz QNJQKQMYNUNWLB-SQJMNOBHSA-N 1 0 484.048 3.866 20 30 JHEDRO CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](CC)[NH+]2CCCC2)c2ccccc2c1=O ZINC001313452172 1070382327 /nfs/dbraw/zinc/38/23/27/1070382327.db2.gz GNFOCLNKUDRSON-WOJBJXKFSA-N 1 0 476.629 3.535 20 30 JHEDRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+](C(C)C)C(C)C)C1 ZINC001313466591 1070439269 /nfs/dbraw/zinc/43/92/69/1070439269.db2.gz MSPAIVLPHJOGCT-HSZRJFAPSA-N 1 0 465.646 3.678 20 30 JHEDRO CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314517821 1070495670 /nfs/dbraw/zinc/49/56/70/1070495670.db2.gz OFVVEEQWKKZDLZ-RNHFSVANSA-N 1 0 486.686 3.587 20 30 JHEDRO CCCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2([NH+](C)C)CCC2)cc1OC ZINC001313505912 1070545476 /nfs/dbraw/zinc/54/54/76/1070545476.db2.gz PJWOBMHVLSANDN-QHCPKHFHSA-N 1 0 456.566 3.669 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](F)(C#N)C1)c1ccc(F)cc1 ZINC001314649472 1070756090 /nfs/dbraw/zinc/75/60/90/1070756090.db2.gz WCJNVTCKVQIPJF-AVRDEDQJSA-N 1 0 457.916 3.877 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1)c1cccs1 ZINC001314651392 1070761180 /nfs/dbraw/zinc/76/11/80/1070761180.db2.gz BKCDTMSZMIPIFO-AUSIDOKSSA-N 1 0 465.558 3.535 20 30 JHEDRO C[NH+](C)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)CCC1 ZINC001314651835 1070761932 /nfs/dbraw/zinc/76/19/32/1070761932.db2.gz BJKDFVVEQXGJPL-UHFFFAOYSA-N 1 0 479.629 3.795 20 30 JHEDRO CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001313639345 1070782089 /nfs/dbraw/zinc/78/20/89/1070782089.db2.gz TZVSRKTZZFPVDT-HSZRJFAPSA-N 1 0 463.630 3.530 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001314662417 1070789391 /nfs/dbraw/zinc/78/93/91/1070789391.db2.gz BUGLVLSHCSEHLC-FQEVSTJZSA-N 1 0 467.618 3.508 20 30 JHEDRO C[NH+](C)CCCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)cc1 ZINC001314667841 1070802536 /nfs/dbraw/zinc/80/25/36/1070802536.db2.gz VUGLQBRIRACALY-AREMUKBSSA-N 1 0 459.598 3.849 20 30 JHEDRO C[NH+](C)CCCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@](C)(C#N)C2)cc1 ZINC001314670025 1070810136 /nfs/dbraw/zinc/81/01/36/1070810136.db2.gz NEYHGQIPNJWPLG-ATIYNZHBSA-N 1 0 466.630 3.681 20 30 JHEDRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001313654105 1070836549 /nfs/dbraw/zinc/83/65/49/1070836549.db2.gz HZYTWQUJHSSDLY-UHFFFAOYSA-N 1 0 492.672 3.523 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313656479 1070850506 /nfs/dbraw/zinc/85/05/06/1070850506.db2.gz CNCKDLXMOVCZQW-RXVVDRJESA-N 1 0 467.618 3.650 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C)(C#N)CC1 ZINC001313657635 1070856503 /nfs/dbraw/zinc/85/65/03/1070856503.db2.gz TYDFBWUPMOGVCW-INIZCTEOSA-N 1 0 462.440 3.906 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2ccccc2C#N)CC1 ZINC001313659499 1070862753 /nfs/dbraw/zinc/86/27/53/1070862753.db2.gz IKQUHFLLIQIMEV-LJQANCHMSA-N 1 0 479.032 3.922 20 30 JHEDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNS(=O)(=O)c1sc2ccc(C#N)cc2c1C ZINC001309592880 1070873084 /nfs/dbraw/zinc/87/30/84/1070873084.db2.gz FKUZLZUHSNKIMQ-IFMALSPDSA-N 1 0 469.632 3.897 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccccc1 ZINC001313664682 1070877560 /nfs/dbraw/zinc/87/75/60/1070877560.db2.gz NSIUYWXDCGKKBT-DEOSSOPVSA-N 1 0 489.672 3.725 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001313673039 1070905605 /nfs/dbraw/zinc/90/56/05/1070905605.db2.gz XIFRWHRPIBJJDH-FQEVSTJZSA-N 1 0 492.697 3.558 20 30 JHEDRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCN(C(=O)OC)CC2)CC1 ZINC001313696373 1070963159 /nfs/dbraw/zinc/96/31/59/1070963159.db2.gz VGDRLQKRCFELFS-UHFFFAOYSA-N 1 0 479.629 3.606 20 30 JHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2F)C1 ZINC001313702570 1070984859 /nfs/dbraw/zinc/98/48/59/1070984859.db2.gz POCGTUCJUFLAOH-FQEVSTJZSA-N 1 0 463.561 3.598 20 30 JHEDRO CC[NH+](CC)Cc1ccccc1Cn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001313702764 1070985446 /nfs/dbraw/zinc/98/54/46/1070985446.db2.gz KFQHKWVOPLWWHF-UHFFFAOYSA-N 1 0 489.672 3.532 20 30 JHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCCC2(C)C)C1 ZINC001313710165 1071003595 /nfs/dbraw/zinc/00/35/95/1071003595.db2.gz VKUMJJQDRJCXTI-CUNXSJBXSA-N 1 0 480.657 3.838 20 30 JHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCSC2)C1 ZINC001313709590 1071002749 /nfs/dbraw/zinc/00/27/49/1071002749.db2.gz OESFFIWOCHJSJE-RTWAWAEBSA-N 1 0 454.644 3.650 20 30 JHEDRO CC[NH+](CC)CCCn1c(-c2ccc(C)o2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 ZINC001313711830 1071007423 /nfs/dbraw/zinc/00/74/23/1071007423.db2.gz IKFHCGFWLGMYOH-UHFFFAOYSA-N 1 0 465.577 3.916 20 30 JHEDRO CC[NH+](CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313714965 1071013602 /nfs/dbraw/zinc/01/36/02/1071013602.db2.gz XNOOWMRITBBIAB-NRFANRHFSA-N 1 0 467.618 3.652 20 30 JHEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC001310132737 1071143304 /nfs/dbraw/zinc/14/33/04/1071143304.db2.gz WHBUTJGTCFLYQV-FQEVSTJZSA-N 1 0 456.612 3.621 20 30 JHEDRO N#Cc1cccc(C[NH+]2CCC(NC(=O)Nc3nnc(Cc4cccc(F)c4)s3)CC2)c1 ZINC001310285541 1071270652 /nfs/dbraw/zinc/27/06/52/1071270652.db2.gz JSFDQEAXMIMUHY-UHFFFAOYSA-N 1 0 450.543 3.926 20 30 JHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(C#N)o2)C[C@H]1C ZINC001313859192 1071363048 /nfs/dbraw/zinc/36/30/48/1071363048.db2.gz FLCYFHATRKRJMH-HZPDHXFCSA-N 1 0 456.497 3.978 20 30 JHEDRO C[N@@H+]1CCN(CCn2c(-c3cccc(Cl)c3)nnc2N2CCC[C@@](C)(C#N)C2)CC1(C)C ZINC001314930459 1071373539 /nfs/dbraw/zinc/37/35/39/1071373539.db2.gz FVFYINFDGAFMMP-DEOSSOPVSA-N 1 0 456.038 3.755 20 30 JHEDRO CC[NH+]1CCC(CCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(F)(F)F)C2)CC1 ZINC001313882305 1071458463 /nfs/dbraw/zinc/45/84/63/1071458463.db2.gz ZKOIYXWDJZVARJ-FQEVSTJZSA-N 1 0 462.520 3.706 20 30 JHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2CCC(C#N)CC2)C1 ZINC001313887906 1071475044 /nfs/dbraw/zinc/47/50/44/1071475044.db2.gz YQINONIPBKKOLY-KRWDZBQOSA-N 1 0 473.419 3.798 20 30 JHEDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC001313890104 1071481418 /nfs/dbraw/zinc/48/14/18/1071481418.db2.gz MGSMMUIZLMDGNF-HXUWFJFHSA-N 1 0 479.629 3.652 20 30 JHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001313891911 1071485450 /nfs/dbraw/zinc/48/54/50/1071485450.db2.gz ALNWJFSQPDHLKH-DYESRHJHSA-N 1 0 460.424 3.660 20 30 JHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001313897263 1071502061 /nfs/dbraw/zinc/50/20/61/1071502061.db2.gz WQKFXUWPAFNRQA-JOCHJYFZSA-N 1 0 479.629 3.795 20 30 JHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCCCOC)CC1 ZINC001313908051 1071528891 /nfs/dbraw/zinc/52/88/91/1071528891.db2.gz LPTLVHVJZLZAOH-QHCPKHFHSA-N 1 0 466.630 3.713 20 30 JHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC001313910604 1071536003 /nfs/dbraw/zinc/53/60/03/1071536003.db2.gz XIFMJGMZXACJGD-YADHBBJMSA-N 1 0 479.629 3.795 20 30 JHEDRO CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC001315021032 1071542201 /nfs/dbraw/zinc/54/22/01/1071542201.db2.gz KHYQKGWJCYFXQM-HRFSGMKKSA-N 1 0 477.657 3.680 20 30 JHEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3sc(-c4ccccc4)nc3C)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001313919698 1071557408 /nfs/dbraw/zinc/55/74/08/1071557408.db2.gz FHTRTWHQCCEPMQ-UXHICEINSA-N 1 0 492.697 3.999 20 30 JHEDRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@H](C)CC#N)CC1 ZINC001313926993 1071578672 /nfs/dbraw/zinc/57/86/72/1071578672.db2.gz GXWWSBIXEIIFOH-FGZHOGPDSA-N 1 0 481.689 3.919 20 30 JHEDRO CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 ZINC001313929973 1071587997 /nfs/dbraw/zinc/58/79/97/1071587997.db2.gz UMNNLURVSRCDJN-NLFFAJNJSA-N 1 0 470.065 3.678 20 30 JHEDRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC001313937124 1071610188 /nfs/dbraw/zinc/61/01/88/1071610188.db2.gz SZQBXTXSSAOLKT-WOJBJXKFSA-N 1 0 481.645 3.993 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC2CCCCC2)C[C@H]1C ZINC001313942519 1071620209 /nfs/dbraw/zinc/62/02/09/1071620209.db2.gz JDSAPNNMEUVOPS-OAQYLSRUSA-N 1 0 466.630 3.999 20 30 JHEDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccccc3Br)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001313950772 1071639454 /nfs/dbraw/zinc/63/94/54/1071639454.db2.gz QPONRRDRSHEYFN-MOPGFXCFSA-N 1 0 488.478 3.577 20 30 JHEDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313950056 1071637671 /nfs/dbraw/zinc/63/76/71/1071637671.db2.gz MJXASHPSHSRDCX-IBGZPJMESA-N 1 0 487.574 3.789 20 30 JHEDRO CCN1CC[NH+](C[C@@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001313951288 1071641830 /nfs/dbraw/zinc/64/18/30/1071641830.db2.gz SNEWECJTAWTFAT-YADHBBJMSA-N 1 0 497.663 3.961 20 30 JHEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3Br)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001313950780 1071640044 /nfs/dbraw/zinc/64/00/44/1071640044.db2.gz QPONRRDRSHEYFN-RTBURBONSA-N 1 0 488.478 3.577 20 30 JHEDRO CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc2c1=O ZINC001313958452 1071663999 /nfs/dbraw/zinc/66/39/99/1071663999.db2.gz CEAMQLNBCUQFIZ-QHAWAJNXSA-N 1 0 490.656 3.781 20 30 JHEDRO CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c2ccccc2c1=O ZINC001313958450 1071664015 /nfs/dbraw/zinc/66/40/15/1071664015.db2.gz CEAMQLNBCUQFIZ-PCCBWWKXSA-N 1 0 490.656 3.781 20 30 JHEDRO CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](C)[NH+]2CCC(C)CC2)c2ccccc2c1=O ZINC001313959007 1071665823 /nfs/dbraw/zinc/66/58/23/1071665823.db2.gz JGWMDWPTBQTNSV-WOJBJXKFSA-N 1 0 476.629 3.534 20 30 JHEDRO CC[NH+]1CCN(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC(CC#N)CC2)CC1 ZINC001313961225 1071672385 /nfs/dbraw/zinc/67/23/85/1071672385.db2.gz RQTDMGKXQDEQMF-NRFANRHFSA-N 1 0 483.636 3.715 20 30 JHEDRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC001314030383 1071802067 /nfs/dbraw/zinc/80/20/67/1071802067.db2.gz FJHXKAWPKJFVRX-AWRGLXIESA-N 1 0 493.656 3.900 20 30 JHEDRO CCc1ccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@H](C)[NH+](CC)CC)cc1 ZINC001305944882 1068257509 /nfs/dbraw/zinc/25/75/09/1068257509.db2.gz ODQXDVNFCVJCJJ-NRFANRHFSA-N 1 0 472.641 3.831 20 30 JHEDRO CCc1nnc(N2CCN(c3c(C#N)cnc4ccccc43)CC2)n1C[C@@H](C(CC)CC)[NH+](C)C ZINC001306195051 1068585895 /nfs/dbraw/zinc/58/58/95/1068585895.db2.gz VQLBWBWGFVQLHD-DEOSSOPVSA-N 1 0 474.657 3.953 20 30 JHEDRO CCc1nnc(N2CCN(c3c(C#N)cnc4ccccc43)CC2)n1C[C@H](C(CC)CC)[NH+](C)C ZINC001306195052 1068586203 /nfs/dbraw/zinc/58/62/03/1068586203.db2.gz VQLBWBWGFVQLHD-XMMPIXPASA-N 1 0 474.657 3.953 20 30 JHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OCCOC)C1 ZINC001306320555 1068749377 /nfs/dbraw/zinc/74/93/77/1068749377.db2.gz WLHXHJZXEZYNBG-BJKOFHAPSA-N 1 0 466.630 3.713 20 30 JHEDRO CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CCS1 ZINC001306406473 1068876232 /nfs/dbraw/zinc/87/62/32/1068876232.db2.gz XXRKBDRBTABOOS-VXKWHMMOSA-N 1 0 454.644 3.505 20 30 JHEDRO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1 ZINC001310555627 1069014894 /nfs/dbraw/zinc/01/48/94/1069014894.db2.gz ABWPOYRWYIPXHS-RBUKOAKNSA-N 1 0 454.596 3.926 20 30 JHEDRO CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001306531209 1069171718 /nfs/dbraw/zinc/17/17/18/1069171718.db2.gz UFGLNSHLHBQHSG-RUZDIDTESA-N 1 0 464.639 3.794 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@@H]1C(F)(F)F ZINC001164389333 718815098 /nfs/dbraw/zinc/81/50/98/718815098.db2.gz VCIHQSPZJZGXOY-MRXNPFEDSA-N 1 0 466.838 3.839 20 30 JHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCCO[C@]4(C[NH2+]CCOC4)C3)cc2c1Cl ZINC001164424711 718919740 /nfs/dbraw/zinc/91/97/40/718919740.db2.gz OQVDGTJOWRFSCK-LJQANCHMSA-N 1 0 457.308 3.543 20 30 JHEDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1 ZINC001164614816 719020607 /nfs/dbraw/zinc/02/06/07/719020607.db2.gz GPXPJTROXVUWQJ-CIISACIHSA-N 1 0 455.292 3.688 20 30 JHEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1)CCC2 ZINC001164813957 720225975 /nfs/dbraw/zinc/22/59/75/720225975.db2.gz QEFVUCWSZCRTRI-UHFFFAOYSA-N 1 0 481.963 3.615 20 30 JHEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@H]3[C@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C#N ZINC001164834395 720326725 /nfs/dbraw/zinc/32/67/25/720326725.db2.gz ZVJIKUNLJJHPCU-YADHBBJMSA-N 1 0 476.650 3.649 20 30 JHEDRO N#Cc1cnc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c2cc(-c3ccccc3)sc21 ZINC001164738176 720708334 /nfs/dbraw/zinc/70/83/34/720708334.db2.gz ILSLZGUFTXEJIQ-WOJBJXKFSA-N 1 0 454.559 3.967 20 30 JHEDRO CCOC(=O)c1cc(C)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C#N ZINC001164748468 720881335 /nfs/dbraw/zinc/88/13/35/720881335.db2.gz FEJFWLSIJDOTDP-LXFBAYGMSA-N 1 0 489.620 3.589 20 30 JHEDRO 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 ZINC001164762567 721173280 /nfs/dbraw/zinc/17/32/80/721173280.db2.gz CVEGCLSWCNPXJE-FCHUYYIVSA-N 1 0 492.744 3.987 20 30 JHEDRO N#C[C@H](c1nc2ccccc2nc1N1CC2(C1)CC[N@H+](CC1CC1)C2)S(=O)(=O)c1ccccc1 ZINC001164769793 721297323 /nfs/dbraw/zinc/29/73/23/721297323.db2.gz NETSBVDTDZDKEQ-HSZRJFAPSA-N 1 0 473.602 3.590 20 30 JHEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4ccc(C#N)cc4)C3)O2)CC1 ZINC001164885983 721450032 /nfs/dbraw/zinc/45/00/32/721450032.db2.gz GBJNKWATJQTIHU-OFVILXPXSA-N 1 0 483.016 3.559 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(C#N)cc(Cl)n1)CC2 ZINC001164787730 721460944 /nfs/dbraw/zinc/46/09/44/721460944.db2.gz RXJOLMKWDZPGNW-LJQANCHMSA-N 1 0 468.976 3.885 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C#N)c3cc([N+](=O)[O-])ccc3n1)CC2 ZINC001164790600 721471622 /nfs/dbraw/zinc/47/16/22/721471622.db2.gz RXMUEZYZSQZTJD-JOCHJYFZSA-N 1 0 479.581 3.749 20 30 JHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C)CC2 ZINC001164795870 721502569 /nfs/dbraw/zinc/50/25/69/721502569.db2.gz MDTUYUXBVRVKOI-OAQYLSRUSA-N 1 0 462.598 3.701 20 30 JHEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(COc3ccc(CC#N)cc3)cn2)[C@H]2CCCO[C@@H]12 ZINC001164801089 721580516 /nfs/dbraw/zinc/58/05/16/721580516.db2.gz DPNMBUKOKXVAGC-ZRRKCSAHSA-N 1 0 469.589 3.990 20 30 JHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nn2)cc1 ZINC001164960535 722052875 /nfs/dbraw/zinc/05/28/75/722052875.db2.gz RPAWNKRDZGFAJK-VWLOTQADSA-N 1 0 468.605 3.955 20 30 JHEDRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001306662556 1069383916 /nfs/dbraw/zinc/38/39/16/1069383916.db2.gz UMLGKWKYHLPYSQ-OAQYLSRUSA-N 1 0 477.657 3.776 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001306683471 1069417182 /nfs/dbraw/zinc/41/71/82/1069417182.db2.gz VJQMUDZEEQANJQ-OAQYLSRUSA-N 1 0 479.398 3.890 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2ccc(OC)c(Br)c2)nnc1N1CC[C@](F)(C#N)C1 ZINC001306683469 1069417384 /nfs/dbraw/zinc/41/73/84/1069417384.db2.gz VJQMUDZEEQANJQ-NRFANRHFSA-N 1 0 479.398 3.890 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001306722294 1069459640 /nfs/dbraw/zinc/45/96/40/1069459640.db2.gz GLJCJWLSDXAUJW-DNQXCXABSA-N 1 0 463.630 3.576 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)C#N ZINC001306723637 1069464010 /nfs/dbraw/zinc/46/40/10/1069464010.db2.gz TWRMWJUMBDXDIA-CTNGQTDRSA-N 1 0 452.603 3.967 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(CC)nnc1N1CCN(c2cccc(F)c2C#N)CC1 ZINC001306729105 1069476144 /nfs/dbraw/zinc/47/61/44/1069476144.db2.gz WCNNPSMMHYGEEV-FQEVSTJZSA-N 1 0 453.610 3.832 20 30 JHEDRO CCCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001306741574 1069518023 /nfs/dbraw/zinc/51/80/23/1069518023.db2.gz JEROTVQHPZTYHY-UHFFFAOYSA-N 1 0 465.646 3.537 20 30 JHEDRO CCC[N@H+](CC)CCn1c(-c2ccccc2Br)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001306805593 1069616499 /nfs/dbraw/zinc/61/64/99/1069616499.db2.gz LSJWGMXEMAEEEV-IBGZPJMESA-N 1 0 486.462 3.616 20 30 JHEDRO CCC[N@H+](CC)CCn1c(-c2ccccc2Br)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001306805594 1069616524 /nfs/dbraw/zinc/61/65/24/1069616524.db2.gz LSJWGMXEMAEEEV-LJQANCHMSA-N 1 0 486.462 3.616 20 30 JHEDRO CCC[N@H+](CC)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001306806625 1069619539 /nfs/dbraw/zinc/61/95/39/1069619539.db2.gz GWXKPXGNMIPQOI-UHFFFAOYSA-N 1 0 472.641 3.833 20 30 JHEDRO CC[C@H](C)[NH2+][C@@H](CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccco1 ZINC001306841215 1069654320 /nfs/dbraw/zinc/65/43/20/1069654320.db2.gz ZEJSZIDANWZLID-LPHOPBHVSA-N 1 0 451.527 3.861 20 30 JHEDRO CCC[NH+]1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(=O)N(C)C)CC2)CC1 ZINC001307037678 1069759165 /nfs/dbraw/zinc/75/91/65/1069759165.db2.gz FEBBFDOLABZKEN-UHFFFAOYSA-N 1 0 477.657 3.633 20 30 JHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001307037993 1069759744 /nfs/dbraw/zinc/75/97/44/1069759744.db2.gz HLIMBXHEFHVWJV-FGZHOGPDSA-N 1 0 493.656 3.900 20 30 JHEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001307040189 1069766173 /nfs/dbraw/zinc/76/61/73/1069766173.db2.gz WVEWIHGTZHGLDL-UNWVZKJWSA-N 1 0 493.656 3.898 20 30 JHEDRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(C#N)CC3)n2CC[N@H+]2CC=CCC2)cc1 ZINC001314196546 1069775578 /nfs/dbraw/zinc/77/55/78/1069775578.db2.gz ZVTCCVBAJDJWSA-FQEVSTJZSA-N 1 0 450.587 3.819 20 30 JHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2=O)CC1 ZINC001307050027 1069799395 /nfs/dbraw/zinc/79/93/95/1069799395.db2.gz QRHQAIZYXSXANS-UHFFFAOYSA-N 1 0 463.630 3.530 20 30 JHEDRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCCC2(C)C)CC1 ZINC001307050277 1069800124 /nfs/dbraw/zinc/80/01/24/1069800124.db2.gz CANCTRDTAMDXFN-HSZRJFAPSA-N 1 0 466.630 3.854 20 30 JHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)(C#N)CC1 ZINC001307060051 1069847861 /nfs/dbraw/zinc/84/78/61/1069847861.db2.gz ZORQXAYMACGIBV-IBGZPJMESA-N 1 0 469.659 3.664 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N(C)[C@@H](C)CC#N ZINC001307063297 1069863234 /nfs/dbraw/zinc/86/32/34/1069863234.db2.gz PQXUQVVQJGSDQS-VQTJNVASSA-N 1 0 476.629 3.678 20 30 JHEDRO C[C@@H]1C[C@@H](N(C)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[N@@H+]1Cc1ccccc1 ZINC001312485140 1069964481 /nfs/dbraw/zinc/96/44/81/1069964481.db2.gz IFZRODIRSDFWLU-YNJKOYDBSA-N 1 0 459.594 3.748 20 30 JHEDRO FC(F)(F)Oc1ccc(C#CCN2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC001307438214 1069984174 /nfs/dbraw/zinc/98/41/74/1069984174.db2.gz HVQSHHDJNKTEMT-QFIPXVFZSA-N 1 0 458.528 3.866 20 30 JHEDRO CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCC[N@@H+]1CCCC[C@@H]1C ZINC001314389717 1070242383 /nfs/dbraw/zinc/24/23/83/1070242383.db2.gz JZUMMLNZIZUFCD-FQEVSTJZSA-N 1 0 486.064 3.931 20 30 JHEDRO 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 ZINC001307939067 1070250127 /nfs/dbraw/zinc/25/01/27/1070250127.db2.gz PGSRVMSBDTURBR-GYSYKLTISA-N 1 0 458.390 3.960 20 30 JHEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC001307982047 1070268641 /nfs/dbraw/zinc/26/86/41/1070268641.db2.gz IGADBDPJLKSBED-FAFRJYIDSA-N 1 0 457.619 3.537 20 30 JHEDRO C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[N@H+](Cc2ccccc2)CCOCC1 ZINC001308107151 1070313765 /nfs/dbraw/zinc/31/37/65/1070313765.db2.gz JLFWEFQXSKSECN-JOCHJYFZSA-N 1 0 452.574 3.685 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C)(COC)CC1 ZINC001313453901 1070387396 /nfs/dbraw/zinc/38/73/96/1070387396.db2.gz WWADAANSOMPFIS-QFIPXVFZSA-N 1 0 466.630 3.856 20 30 JHEDRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(OC)CCCC2)C[C@@H]1CC ZINC001314497481 1070420492 /nfs/dbraw/zinc/42/04/92/1070420492.db2.gz ZBVSYJWDTZXGIR-QHCPKHFHSA-N 1 0 466.630 3.713 20 30 JHEDRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCC[N@@H+]2CCC)CC1 ZINC001313469556 1070453036 /nfs/dbraw/zinc/45/30/36/1070453036.db2.gz WVMHKCUZTBKILC-XMMPIXPASA-N 1 0 477.657 3.824 20 30 JHEDRO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001313471273 1070460841 /nfs/dbraw/zinc/46/08/41/1070460841.db2.gz FJKSZWMUFROGRM-UHFFFAOYSA-N 1 0 477.657 3.681 20 30 JHEDRO C=CCN(CC(=O)OCC)S(=O)(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309113501 1070546453 /nfs/dbraw/zinc/54/64/53/1070546453.db2.gz ORQSEEJXNDEMEC-XZOQPEGZSA-N 1 0 477.026 3.689 20 30 JHEDRO CCN(Cc1ccc(C[NH+](C)C)cc1)S(=O)(=O)c1cc(Br)c(C#N)cc1F ZINC001309151160 1070570455 /nfs/dbraw/zinc/57/04/55/1070570455.db2.gz KKEMGNQKHUVLDH-UHFFFAOYSA-N 1 0 454.365 3.732 20 30 JHEDRO CCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001313520452 1070585835 /nfs/dbraw/zinc/58/58/35/1070585835.db2.gz ADBQWCGKSDCKTC-DEOSSOPVSA-N 1 0 479.673 3.628 20 30 JHEDRO CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001313520880 1070587540 /nfs/dbraw/zinc/58/75/40/1070587540.db2.gz HOBJOZZNHMHEHO-XUZZJYLKSA-N 1 0 466.630 3.571 20 30 JHEDRO CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)C[NH+]2CCOCC2)CC1 ZINC001313520882 1070587614 /nfs/dbraw/zinc/58/76/14/1070587614.db2.gz HOBJOZZNHMHEHO-ZJSXRUAMSA-N 1 0 466.630 3.571 20 30 JHEDRO CN(C(=O)OC(C)(C)C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCCCC2)C1 ZINC001314625012 1070711000 /nfs/dbraw/zinc/71/10/00/1070711000.db2.gz WFIGXUVTJPSMNQ-QFIPXVFZSA-N 1 0 479.629 3.748 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001314647444 1070750101 /nfs/dbraw/zinc/75/01/01/1070750101.db2.gz BJOXHPXLNDPDOA-FCHUYYIVSA-N 1 0 479.629 3.650 20 30 JHEDRO C[NH+](C)[C@H](Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@](C)(C#N)C1)C1CC1 ZINC001314651123 1070760812 /nfs/dbraw/zinc/76/08/12/1070760812.db2.gz OXFDQJOFVZLMDJ-LZCXECNNSA-N 1 0 485.677 3.863 20 30 JHEDRO C[NH+](C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](NC(=O)OC(C)(C)C)C2)CCC1 ZINC001314653436 1070766045 /nfs/dbraw/zinc/76/60/45/1070766045.db2.gz OLVOGESFXVSTGP-NRFANRHFSA-N 1 0 479.629 3.795 20 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CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccsc1 ZINC001313666144 1070883472 /nfs/dbraw/zinc/88/34/72/1070883472.db2.gz ULWAXJWBVGITOQ-SIKLNZKXSA-N 1 0 493.685 3.923 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 ZINC001313675996 1070919425 /nfs/dbraw/zinc/91/94/25/1070919425.db2.gz SQPDWJUWTRNLAV-VXKWHMMOSA-N 1 0 484.601 3.870 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccco1 ZINC001313679480 1070935558 /nfs/dbraw/zinc/93/55/58/1070935558.db2.gz QUKJRQLADCCQQP-RBBKRZOGSA-N 1 0 491.644 3.529 20 30 JHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCCC2(C)C)C1 ZINC001313710168 1071003648 /nfs/dbraw/zinc/00/36/48/1071003648.db2.gz VKUMJJQDRJCXTI-WXVAWEFUSA-N 1 0 480.657 3.838 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nnc1C(C)(C)C ZINC001313726362 1071034559 /nfs/dbraw/zinc/03/45/59/1071034559.db2.gz HLVICFWDIOXYPS-GOSISDBHSA-N 1 0 480.617 3.752 20 30 JHEDRO CCN(C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CC2)[NH+](C)C)C1)CC(F)(F)F ZINC001313784805 1071157597 /nfs/dbraw/zinc/15/75/97/1071157597.db2.gz HDPZVFDROPCQGS-UGKGYDQZSA-N 1 0 489.590 3.867 20 30 JHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1)CCC(F)(F)F ZINC001313804478 1071215089 /nfs/dbraw/zinc/21/50/89/1071215089.db2.gz AOVXDBOVCSGXIO-UHFFFAOYSA-N 1 0 494.562 3.926 20 30 JHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)C(C)C ZINC001313806775 1071226081 /nfs/dbraw/zinc/22/60/81/1071226081.db2.gz XWLDKVZGZMTSED-NRFANRHFSA-N 1 0 481.645 3.898 20 30 JHEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1)C(C)C ZINC001313807175 1071227041 /nfs/dbraw/zinc/22/70/41/1071227041.db2.gz FSHOCXHBLJGYBW-UHFFFAOYSA-N 1 0 462.520 3.895 20 30 JHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC001310236840 1071227042 /nfs/dbraw/zinc/22/70/42/1071227042.db2.gz DIRJLFYLPYLADD-HXUWFJFHSA-N 1 0 450.539 3.935 20 30 JHEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C(C)C ZINC001313807336 1071228204 /nfs/dbraw/zinc/22/82/04/1071228204.db2.gz KKKNGKRXSFFQEV-JOCHJYFZSA-N 1 0 479.673 3.926 20 30 JHEDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)C1 ZINC001310249014 1071236342 /nfs/dbraw/zinc/23/63/42/1071236342.db2.gz TZGDUXUCLJDNEM-JOCHJYFZSA-N 1 0 451.546 3.520 20 30 JHEDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CCOC(C)(C)C ZINC001314892833 1071323592 /nfs/dbraw/zinc/32/35/92/1071323592.db2.gz LEKVBPMEMQRMQZ-LADGPHEKSA-N 1 0 490.656 3.885 20 30 JHEDRO Cn1cc(Br)cc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCCCC[NH+]1CCCC1 ZINC001314894912 1071327217 /nfs/dbraw/zinc/32/72/17/1071327217.db2.gz IRKOJWPKASEARM-NRFANRHFSA-N 1 0 478.414 3.754 20 30 JHEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)n1 ZINC001310469759 1071411058 /nfs/dbraw/zinc/41/10/58/1071411058.db2.gz KATAJLRKFYIMTN-UHFFFAOYSA-N 1 0 456.978 3.802 20 30 JHEDRO CC[NH+]1CCC(CCn2c(CNC(=O)c3cccs3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001313882800 1071459883 /nfs/dbraw/zinc/45/98/83/1071459883.db2.gz MNAYWHQOAHCOTD-UHFFFAOYSA-N 1 0 491.665 3.900 20 30 JHEDRO CC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)OCCOC)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)C1 ZINC001313884317 1071463482 /nfs/dbraw/zinc/46/34/82/1071463482.db2.gz NXOMCPGHKXWPSQ-IFMALSPDSA-N 1 0 464.614 3.509 20 30 JHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001313908331 1071529313 /nfs/dbraw/zinc/52/93/13/1071529313.db2.gz MFYCXEIQTVAHME-FQEVSTJZSA-N 1 0 493.553 3.714 20 30 JHEDRO CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001315021031 1071542182 /nfs/dbraw/zinc/54/21/82/1071542182.db2.gz KHYQKGWJCYFXQM-DCFHFQCYSA-N 1 0 477.657 3.680 20 30 JHEDRO CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2cccs2)[NH+](C)C)CC1 ZINC001315020145 1071539584 /nfs/dbraw/zinc/53/95/84/1071539584.db2.gz AIQXUBGEJXJSAH-OAQYLSRUSA-N 1 0 477.638 3.534 20 30 JHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001313916092 1071551368 /nfs/dbraw/zinc/55/13/68/1071551368.db2.gz VCLDGBHVYFRVPC-OAQYLSRUSA-N 1 0 466.630 3.997 20 30 JHEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3sc(-c4ccccc4)nc3C)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001313919699 1071557620 /nfs/dbraw/zinc/55/76/20/1071557620.db2.gz FHTRTWHQCCEPMQ-VQTJNVASSA-N 1 0 492.697 3.999 20 30 JHEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001313922500 1071564400 /nfs/dbraw/zinc/56/44/00/1071564400.db2.gz WTRXMHHYLHNROM-GGAORHGYSA-N 1 0 488.684 3.975 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccnc2OCC(F)(F)F)C[C@@H]1C ZINC001313932749 1071596132 /nfs/dbraw/zinc/59/61/32/1071596132.db2.gz LTRVNFVWCNBMDJ-KRWDZBQOSA-N 1 0 485.514 3.732 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313935422 1071605898 /nfs/dbraw/zinc/60/58/98/1071605898.db2.gz ZPRJCGWKVHZJTQ-UGKGYDQZSA-N 1 0 479.629 3.747 20 30 JHEDRO CCN1CCN(C2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](CC(C)C)[NH+](C)C)CC2)C1=O ZINC001313945343 1071626121 /nfs/dbraw/zinc/62/61/21/1071626121.db2.gz NHKIXVIZCNUFKB-XMMPIXPASA-N 1 0 492.672 3.519 20 30 JHEDRO CCN1CC[NH+](CCCCn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@](C)(C#N)C2)CC1 ZINC001313954430 1071651725 /nfs/dbraw/zinc/65/17/25/1071651725.db2.gz QPRSKDVHVVNIKC-AREMUKBSSA-N 1 0 467.637 3.556 20 30 JHEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001313957273 1071659968 /nfs/dbraw/zinc/65/99/68/1071659968.db2.gz QIKUZPLSBHLXKV-XMMPIXPASA-N 1 0 493.700 3.878 20 30 JHEDRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001314012907 1071749215 /nfs/dbraw/zinc/74/92/15/1071749215.db2.gz AUHNBAIGIXWRAP-UHFFFAOYSA-N 1 0 493.656 3.996 20 30 JHEDRO 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 1071801880 /nfs/dbraw/zinc/80/18/80/1071801880.db2.gz FJHXKAWPKJFVRX-ZFGGDYGUSA-N 1 0 493.656 3.900 20 30 JHEDRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001314033777 1071815037 /nfs/dbraw/zinc/81/50/37/1071815037.db2.gz PUEPWJMIMFZBHT-FCHUYYIVSA-N 1 0 493.637 3.896 20 30 JHEDRO CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CCOC1 ZINC001314113483 1072009487 /nfs/dbraw/zinc/00/94/87/1072009487.db2.gz PLGNGCSUVZMZEF-ISJBWFOZSA-N 1 0 472.678 3.817 20 30 JHEDRO CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2cccc(C[NH+](CC)CC)c2)CCOC1 ZINC001314120036 1072022063 /nfs/dbraw/zinc/02/20/63/1072022063.db2.gz JNRDILFMWFNZPC-SVBPBHIXSA-N 1 0 480.657 3.950 20 30 JHEDRO CCc1ccccc1OCc1nnc(N2CCC(C)(C#N)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001305979705 1068323058 /nfs/dbraw/zinc/32/30/58/1068323058.db2.gz CPLFBUCDYDUWFJ-UHFFFAOYSA-N 1 0 466.630 3.660 20 30 JHEDRO CCc1nc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2([NH+](C)C)CCSC2)cs1 ZINC001306030793 1068430885 /nfs/dbraw/zinc/43/08/85/1068430885.db2.gz ZZUWWUKAMBXHII-HSZRJFAPSA-N 1 0 467.668 3.909 20 30 JHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001306318017 1068740713 /nfs/dbraw/zinc/74/07/13/1068740713.db2.gz CUXNKGMVPAPYFM-ZEQRLZLVSA-N 1 0 466.630 3.711 20 30 JHEDRO CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2sccc2C)CC[N@@H+]1CCOC ZINC001306408320 1068885099 /nfs/dbraw/zinc/88/50/99/1068885099.db2.gz ALDKODQQQUJWIR-JOCHJYFZSA-N 1 0 464.639 3.976 20 30 JHEDRO CC[NH+]1CCN(c2cccc(NC(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)c2)CC1 ZINC001310595758 1069039262 /nfs/dbraw/zinc/03/92/62/1069039262.db2.gz CDCBLKOSSYVIAU-UHFFFAOYSA-N 1 0 452.990 3.708 20 30 JHEDRO Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC001310961632 1069234685 /nfs/dbraw/zinc/23/46/85/1069234685.db2.gz VWGSEKRMYJEFMV-AREMUKBSSA-N 1 0 457.534 3.813 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCC2(CC[NH2+]CC2)[C@H]1C(F)(F)F ZINC001164389331 718815017 /nfs/dbraw/zinc/81/50/17/718815017.db2.gz VCIHQSPZJZGXOY-INIZCTEOSA-N 1 0 466.838 3.839 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(C#N)cc(Cl)n3)CC2)c2ccccc21 ZINC001164680267 719655208 /nfs/dbraw/zinc/65/52/08/719655208.db2.gz DTHJZXBCBAYCKW-IBGZPJMESA-N 1 0 452.002 3.700 20 30 JHEDRO CSc1nc(Cl)c(C#N)c(N2CCC3(C[C@H](CC(=O)NCC[NH+](C)C)c4ccccc43)CC2)n1 ZINC001164680288 719655621 /nfs/dbraw/zinc/65/56/21/719655621.db2.gz DYXABSWUDYUSRN-KRWDZBQOSA-N 1 0 499.084 3.817 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(Cl)cc(C#N)n3)CC2)c2ccccc21 ZINC001164681187 719665912 /nfs/dbraw/zinc/66/59/12/719665912.db2.gz KMCKABJWFABDIM-GOSISDBHSA-N 1 0 452.002 3.700 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc(Cl)cc3C#N)CC2)c2ccccc21 ZINC001164681535 719675724 /nfs/dbraw/zinc/67/57/24/719675724.db2.gz MMJBUUDPTVSDRO-GOSISDBHSA-N 1 0 452.002 3.700 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc4[nH]c(C#N)cc4n3)CC2)c2ccccc21 ZINC001164681466 719676534 /nfs/dbraw/zinc/67/65/34/719676534.db2.gz LBTDSLRVHQJUDT-IBGZPJMESA-N 1 0 456.594 3.528 20 30 JHEDRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)nc1 ZINC001164696948 719784346 /nfs/dbraw/zinc/78/43/46/719784346.db2.gz WSIUOGHWZRQVFZ-LSYYVWMOSA-N 1 0 489.620 3.529 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)CC1 ZINC001164823834 720320817 /nfs/dbraw/zinc/32/08/17/720320817.db2.gz BJZXEGGETOOYND-FCHUYYIVSA-N 1 0 482.991 3.719 20 30 JHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc([C@@H](C#N)c4ccccc4F)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838518 720565652 /nfs/dbraw/zinc/56/56/52/720565652.db2.gz OFGNTJHWPUQZCH-QIRSKFFZSA-N 1 0 459.573 3.845 20 30 JHEDRO 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 ZINC001164842571 720569134 /nfs/dbraw/zinc/56/91/34/720569134.db2.gz YKKNNNKHUMCDBP-DNVJHFABSA-N 1 0 479.701 3.671 20 30 JHEDRO N#CCc1ccc(OCc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2)cc1 ZINC001164745749 720849019 /nfs/dbraw/zinc/84/90/19/720849019.db2.gz NCQUAEPPYJFTIB-ZWEKWIFMSA-N 1 0 483.620 3.698 20 30 JHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748839 720858577 /nfs/dbraw/zinc/85/85/77/720858577.db2.gz MLKRISOFPJBEMV-QHAWAJNXSA-N 1 0 490.999 3.765 20 30 JHEDRO N#Cc1cc(F)c(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COCc1cccnc1 ZINC001164755878 720869841 /nfs/dbraw/zinc/86/98/41/720869841.db2.gz ZKSAOIHWXQDQOD-GBXCKJPGSA-N 1 0 455.965 3.896 20 30 JHEDRO N#Cc1cc2c(nc1N1CC[C@@]3(C1)C[N@H+](CC1CC1)C[C@@H]3COCc1cccnc1)CCCC2 ZINC001164752253 720910419 /nfs/dbraw/zinc/91/04/19/720910419.db2.gz NUKVOTDJBIJPCG-NAKRPHOHSA-N 1 0 457.622 3.982 20 30 JHEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cc(F)c(C#N)cc4-c4ccnc(Cl)n4)C3)O2)CC1 ZINC001164886307 721414973 /nfs/dbraw/zinc/41/49/73/721414973.db2.gz IXHAFISSORGRBH-DFBJGRDBSA-N 1 0 485.007 3.573 20 30 JHEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cnc(Cl)nc4Oc4ccc(C#N)cc4)C3)O2)CC1 ZINC001164885980 721450129 /nfs/dbraw/zinc/45/01/29/721450129.db2.gz GBJNKWATJQTIHU-BWKNWUBXSA-N 1 0 483.016 3.559 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1ccc(Cl)nc1C#N)CC2 ZINC001164785291 721455770 /nfs/dbraw/zinc/45/57/70/721455770.db2.gz IGXNXDRJQFMYLH-SFHVURJKSA-N 1 0 468.976 3.885 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1nc(Cl)ccc1C#N)CC2 ZINC001164785697 721460284 /nfs/dbraw/zinc/46/02/84/721460284.db2.gz MTAJTHICSZNTGB-IBGZPJMESA-N 1 0 468.976 3.885 20 30 JHEDRO COc1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c(C#N)c(Cl)n1 ZINC001164903819 721542644 /nfs/dbraw/zinc/54/26/44/721542644.db2.gz DAMAOJJBUHKNND-HOCLYGCPSA-N 1 0 452.864 3.641 20 30 JHEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164912178 721732358 /nfs/dbraw/zinc/73/23/58/721732358.db2.gz MJVYQRXNDRITBW-DVECYGJZSA-N 1 0 484.551 3.558 20 30 JHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938703 721931054 /nfs/dbraw/zinc/93/10/54/721931054.db2.gz FAWUTMZJHATOOK-JOCHJYFZSA-N 1 0 485.588 3.590 20 30 JHEDRO Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N(C)CC2CC[NH+](C)CC2)cc1 ZINC001165043173 721936640 /nfs/dbraw/zinc/93/66/40/721936640.db2.gz PJCQBIUKWXZRRA-HSZRJFAPSA-N 1 0 463.607 3.755 20 30 JHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982817 722101482 /nfs/dbraw/zinc/10/14/82/722101482.db2.gz PETTULMLBLRXNE-QAPCUYQASA-N 1 0 468.335 3.927 20 30 JHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)cc1F ZINC001164971961 722121752 /nfs/dbraw/zinc/12/17/52/722121752.db2.gz DZXRZVVWSGSFJJ-HOYKHHGWSA-N 1 0 478.959 3.930 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001306682047 1069412436 /nfs/dbraw/zinc/41/24/36/1069412436.db2.gz ANOMWPKXPMSWDZ-UHFFFAOYSA-N 1 0 496.063 3.571 20 30 JHEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCn2ccnc2C)C1 ZINC001306726575 1069469909 /nfs/dbraw/zinc/46/99/09/1069469909.db2.gz DXCNWIOZICJZJY-AUSIDOKSSA-N 1 0 474.613 3.543 20 30 JHEDRO CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCn2ccnc2C)C1 ZINC001306726576 1069470003 /nfs/dbraw/zinc/47/00/03/1069470003.db2.gz DXCNWIOZICJZJY-CVDCTZTESA-N 1 0 474.613 3.543 20 30 JHEDRO CCC[N@H+](CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001306802503 1069608725 /nfs/dbraw/zinc/60/87/25/1069608725.db2.gz LSHRUFAXUOJDQQ-FQEVSTJZSA-N 1 0 451.600 3.583 20 30 JHEDRO CCC[N@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 ZINC001306807700 1069622856 /nfs/dbraw/zinc/62/28/56/1069622856.db2.gz YCYKHHAOGPGEDI-QHCPKHFHSA-N 1 0 461.618 3.599 20 30 JHEDRO CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001314177828 1069712407 /nfs/dbraw/zinc/71/24/07/1069712407.db2.gz RPZYLDJGBHDVSC-UQBPGWFLSA-N 1 0 470.593 3.915 20 30 JHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001307032565 1069745209 /nfs/dbraw/zinc/74/52/09/1069745209.db2.gz DXHLNDMAGPOLIH-AZUAARDMSA-N 1 0 475.563 3.621 20 30 JHEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)[C@H](C)C2)C1 ZINC001307032567 1069745252 /nfs/dbraw/zinc/74/52/52/1069745252.db2.gz DXHLNDMAGPOLIH-QUCCMNQESA-N 1 0 475.563 3.621 20 30 JHEDRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001314194112 1069763014 /nfs/dbraw/zinc/76/30/14/1069763014.db2.gz QSZMTDSQHJUHMF-BWKNWUBXSA-N 1 0 496.656 3.914 20 30 JHEDRO CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001314203733 1069809366 /nfs/dbraw/zinc/80/93/66/1069809366.db2.gz SBYGUCLWOCTYGL-OTNCWRBYSA-N 1 0 496.656 3.914 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001307057509 1069834304 /nfs/dbraw/zinc/83/43/04/1069834304.db2.gz WAJQSYXMSDMBAZ-HSZRJFAPSA-N 1 0 463.630 3.563 20 30 JHEDRO CCO[C@H]1C[C@@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCSCC2)C1(C)C ZINC001314244749 1069957957 /nfs/dbraw/zinc/95/79/57/1069957957.db2.gz PQZXZOBPLHMWOX-RTWAWAEBSA-N 1 0 454.644 3.505 20 30 JHEDRO COc1ccc(C[N@H+](CCO)CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(OC)c1 ZINC001307459736 1069997475 /nfs/dbraw/zinc/99/74/75/1069997475.db2.gz UIKCOPVEYJMEFN-INIZCTEOSA-N 1 0 457.596 3.585 20 30 JHEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC(Cc3cc(Cl)ccc3Cl)CC2)CC1 ZINC001307510007 1070025550 /nfs/dbraw/zinc/02/55/50/1070025550.db2.gz DJCULHCXOCTKLG-QFIPXVFZSA-N 1 0 451.442 3.940 20 30 JHEDRO N#Cc1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H](O)Cn2c(=O)onc2-c2ccccc2)cc1 ZINC001307535765 1070040409 /nfs/dbraw/zinc/04/04/09/1070040409.db2.gz QEFAGCMWGOPEDS-XMMPIXPASA-N 1 0 458.493 3.577 20 30 JHEDRO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC001307808334 1070193169 /nfs/dbraw/zinc/19/31/69/1070193169.db2.gz WMYFNBMCDZEXFD-RBBKRZOGSA-N 1 0 452.555 3.723 20 30 JHEDRO CC(C)(C)OC(=O)NCCC[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC001307812288 1070195201 /nfs/dbraw/zinc/19/52/01/1070195201.db2.gz OEDGALQBLPAVKI-JOCHJYFZSA-N 1 0 457.596 3.968 20 30 JHEDRO CCOCc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CC[C@](C)(CC)O1 ZINC001314377636 1070219703 /nfs/dbraw/zinc/21/97/03/1070219703.db2.gz FZDFDZOPRZOPJB-OZXSUGGESA-N 1 0 466.630 3.746 20 30 JHEDRO Cc1c(C)n(Cc2ccco2)c(NC(=O)C[NH2+]C2(c3ccc(C#N)cc3)CCOCC2)c1C#N ZINC001307997131 1070274908 /nfs/dbraw/zinc/27/49/08/1070274908.db2.gz YYGVFSKVDVDGFL-UHFFFAOYSA-N 1 0 457.534 3.724 20 30 JHEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc1 ZINC001308124886 1070321902 /nfs/dbraw/zinc/32/19/02/1070321902.db2.gz QLWUSCPDOMHYBB-BPLDGKMQSA-N 1 0 458.349 3.595 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001313447704 1070368588 /nfs/dbraw/zinc/36/85/88/1070368588.db2.gz NAQGNEUBHXCBMP-UXPWSPDFSA-N 1 0 462.520 3.847 20 30 JHEDRO Cn1cc(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)c(-c2ccc(C#N)cc2)n1 ZINC001308404597 1070371298 /nfs/dbraw/zinc/37/12/98/1070371298.db2.gz IVXJSQKJADSEDT-KRWDZBQOSA-N 1 0 457.347 3.801 20 30 JHEDRO CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](CC)[NH+]2CCCC2)c2ccccc2c1=O ZINC001313452171 1070381942 /nfs/dbraw/zinc/38/19/42/1070381942.db2.gz GNFOCLNKUDRSON-VQTJNVASSA-N 1 0 476.629 3.535 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](CC)O[C@@H](C)C1 ZINC001313453367 1070385605 /nfs/dbraw/zinc/38/56/05/1070385605.db2.gz QOXUAIBTBZEZAY-ILWGZMRPSA-N 1 0 452.603 3.607 20 30 JHEDRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001313460068 1070408766 /nfs/dbraw/zinc/40/87/66/1070408766.db2.gz MPGFIXPAFAMGPT-PKTZIBPZSA-N 1 0 477.657 3.680 20 30 JHEDRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001313460062 1070408904 /nfs/dbraw/zinc/40/89/04/1070408904.db2.gz MPGFIXPAFAMGPT-DHIUTWEWSA-N 1 0 477.657 3.680 20 30 JHEDRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCO[C@@H](C)C2)C[C@@H]1CC ZINC001314496490 1070417852 /nfs/dbraw/zinc/41/78/52/1070417852.db2.gz RJYHPYLSURGGDA-FBLLAGFSSA-N 1 0 480.657 3.959 20 30 JHEDRO CS(=O)(=O)CCSc1cc(Br)ccc1C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC001308819546 1070442779 /nfs/dbraw/zinc/44/27/79/1070442779.db2.gz LMISIUQILUUIOF-UHFFFAOYSA-N 1 0 457.390 3.886 20 30 JHEDRO CCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001313468016 1070445894 /nfs/dbraw/zinc/44/58/94/1070445894.db2.gz DXEFAIJMBPBYJQ-NRFANRHFSA-N 1 0 477.657 3.681 20 30 JHEDRO Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2S(=O)(=O)NCc2ccc(OCC#N)cc2)cc1 ZINC001309146342 1070567159 /nfs/dbraw/zinc/56/71/59/1070567159.db2.gz LYEQXZNLDBWIAE-RRPNLBNLSA-N 1 0 475.614 3.985 20 30 JHEDRO CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314570829 1070577141 /nfs/dbraw/zinc/57/71/41/1070577141.db2.gz ZMFBRFZXIAJJEO-UBRWKZKUSA-N 1 0 468.671 3.676 20 30 JHEDRO CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)C1CCCCC1 ZINC001313586225 1070711434 /nfs/dbraw/zinc/71/14/34/1070711434.db2.gz SOUKGTZQBLJOIR-XMMPIXPASA-N 1 0 477.657 3.918 20 30 JHEDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(-c2ccccc2Cl)nnc1N1CCC(C)(C#N)CC1 ZINC001314628175 1070722862 /nfs/dbraw/zinc/72/28/62/1070722862.db2.gz GLKPZRUYGVJZMQ-NRFANRHFSA-N 1 0 484.048 3.671 20 30 JHEDRO C[NH+](C)[C@H](Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCC[C@@](C)(C#N)C1)C1CC1 ZINC001314651125 1070760836 /nfs/dbraw/zinc/76/08/36/1070760836.db2.gz OXFDQJOFVZLMDJ-YPCDYVTLSA-N 1 0 485.677 3.863 20 30 JHEDRO C[NH+](C)C1(Cn2c(-c3ccc(F)cc3Br)nnc2N2CCC(C#N)CC2)CCOCC1 ZINC001314653137 1070764812 /nfs/dbraw/zinc/76/48/12/1070764812.db2.gz KPBURMGWEPQBIM-UHFFFAOYSA-N 1 0 491.409 3.697 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 ZINC001314655824 1070773453 /nfs/dbraw/zinc/77/34/53/1070773453.db2.gz OATWJQAJURWSIR-UXHICEINSA-N 1 0 457.003 3.615 20 30 JHEDRO C[NH+](C)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 ZINC001314670369 1070810953 /nfs/dbraw/zinc/81/09/53/1070810953.db2.gz LBOZBHUAFLANME-JOCHJYFZSA-N 1 0 494.043 3.902 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N)c1ccsc1 ZINC001313674376 1070911117 /nfs/dbraw/zinc/91/11/17/1070911117.db2.gz VTIUBOGVCQZKJS-VQIMIIECSA-N 1 0 469.615 3.746 20 30 JHEDRO CC[NH+](CC)Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)cc1 ZINC001313704891 1070990415 /nfs/dbraw/zinc/99/04/15/1070990415.db2.gz MSZMBNLDEMDQNZ-UHFFFAOYSA-N 1 0 486.624 3.946 20 30 JHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC001310236838 1071227083 /nfs/dbraw/zinc/22/70/83/1071227083.db2.gz DIRJLFYLPYLADD-FQEVSTJZSA-N 1 0 450.539 3.935 20 30 JHEDRO CC[N@H+](CCn1c(-c2ccccn2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1)C(C)C ZINC001313809858 1071238489 /nfs/dbraw/zinc/23/84/89/1071238489.db2.gz YYNFBBZTEGAHRL-UHFFFAOYSA-N 1 0 459.598 3.990 20 30 JHEDRO CC[N@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC001313820201 1071277125 /nfs/dbraw/zinc/27/71/25/1071277125.db2.gz LPRHAFNVGNJUII-UHFFFAOYSA-N 1 0 497.644 3.516 20 30 JHEDRO CC[N@H+](CCn1c(COc2cccc(C)c2)nnc1N1CC[C@](F)(C#N)C1)CCC(F)(F)F ZINC001313822596 1071286188 /nfs/dbraw/zinc/28/61/88/1071286188.db2.gz SJWZRRAVPLTXQG-NRFANRHFSA-N 1 0 468.499 3.882 20 30 JHEDRO C[N@@H+]1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1(C)C ZINC001314931358 1071375376 /nfs/dbraw/zinc/37/53/76/1071375376.db2.gz RMOTUOFSZHKXTL-FQEVSTJZSA-N 1 0 475.563 3.621 20 30 JHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313869025 1071407487 /nfs/dbraw/zinc/40/74/87/1071407487.db2.gz PLUUHPGBNHISLH-QZTJIDSGSA-N 1 0 463.552 3.620 20 30 JHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCCC(F)(F)F)C[C@@H]1C ZINC001313873754 1071425323 /nfs/dbraw/zinc/42/53/23/1071425323.db2.gz DDAHYSSGNCCJFX-IRXDYDNUSA-N 1 0 450.509 3.990 20 30 JHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001313892287 1071486826 /nfs/dbraw/zinc/48/68/26/1071486826.db2.gz DIAJLBSXBMGMEN-CLOONOSVSA-N 1 0 468.602 3.585 20 30 JHEDRO CC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC001313899878 1071508677 /nfs/dbraw/zinc/50/86/77/1071508677.db2.gz KWLAAPXMQPVITJ-XZOQPEGZSA-N 1 0 452.603 3.529 20 30 JHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@H](C#N)C1 ZINC001313906000 1071523491 /nfs/dbraw/zinc/52/34/91/1071523491.db2.gz XAKFXTPLGNRBPR-NHCUHLMSSA-N 1 0 452.603 3.502 20 30 JHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(Br)cc2)nnc1N(CCC#N)CCOC ZINC001313907342 1071527567 /nfs/dbraw/zinc/52/75/67/1071527567.db2.gz BZWYBYDSLJYDLK-HXUWFJFHSA-N 1 0 475.435 3.948 20 30 JHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC001313907985 1071528924 /nfs/dbraw/zinc/52/89/24/1071528924.db2.gz KYXGLDYYYKLZDF-GOTSBHOMSA-N 1 0 477.657 3.822 20 30 JHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001313908344 1071529696 /nfs/dbraw/zinc/52/96/96/1071529696.db2.gz MLHXEBIYRYZLHM-XMMPIXPASA-N 1 0 493.656 3.996 20 30 JHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001313916116 1071552072 /nfs/dbraw/zinc/55/20/72/1071552072.db2.gz WBQMBDFOMLEBSM-BKMJKUGQSA-N 1 0 466.630 3.999 20 30 JHEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)C[C@H](C)C#N)CC1 ZINC001313920784 1071559988 /nfs/dbraw/zinc/55/99/88/1071559988.db2.gz MJGXRVGKRWZDOK-UXHICEINSA-N 1 0 469.703 3.897 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C(C)(C)C)no2)C[C@H]1C ZINC001313943514 1071623283 /nfs/dbraw/zinc/62/32/83/1071623283.db2.gz SJOSHIKLTCVREO-GOSISDBHSA-N 1 0 463.586 3.593 20 30 JHEDRO CCN1CC[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313955472 1071655362 /nfs/dbraw/zinc/65/53/62/1071655362.db2.gz UUKSULIONIULLB-OYRHEFFESA-N 1 0 485.627 3.962 20 30 JHEDRO CCN1CC[NH+](CCCn2c(-c3ccccc3Cl)nnc2N2CCC(CC#N)CC2)CC1 ZINC001313958229 1071663509 /nfs/dbraw/zinc/66/35/09/1071663509.db2.gz QQFVTTYSNWYSSW-UHFFFAOYSA-N 1 0 456.038 3.756 20 30 JHEDRO CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H](c2ccccc2)[NH+](CC)CC)CCOC1 ZINC001314099767 1071982748 /nfs/dbraw/zinc/98/27/48/1071982748.db2.gz CCOJFNUYEDALGF-OZXSUGGESA-N 1 0 466.630 3.753 20 30 JHEDRO CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC2CC[NH+](CCC(C)C)CC2)CCOC1 ZINC001314112966 1072008266 /nfs/dbraw/zinc/00/82/66/1072008266.db2.gz OCXAWHFJXPBPNP-AREMUKBSSA-N 1 0 472.678 3.818 20 30 JHEDRO CCc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)cc1 ZINC001305938739 1068245078 /nfs/dbraw/zinc/24/50/78/1068245078.db2.gz BPMDABFJJCEAJH-CUNXSJBXSA-N 1 0 463.674 3.911 20 30 JHEDRO CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC001305941941 1068252542 /nfs/dbraw/zinc/25/25/42/1068252542.db2.gz UJBNDLWEZCWFFH-JYFHCDHNSA-N 1 0 450.631 3.874 20 30 JHEDRO CCc1ccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@@H](C)[NH+](CC)CC)cc1 ZINC001305944883 1068257648 /nfs/dbraw/zinc/25/76/48/1068257648.db2.gz ODQXDVNFCVJCJJ-OAQYLSRUSA-N 1 0 472.641 3.831 20 30 JHEDRO CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305990677 1068351152 /nfs/dbraw/zinc/35/11/52/1068351152.db2.gz ZABJHOMDSFDEQI-IRLDBZIGSA-N 1 0 466.630 3.659 20 30 JHEDRO CCc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@](C)(O)c1cc(C)oc1C ZINC001306180072 1068570655 /nfs/dbraw/zinc/57/06/55/1068570655.db2.gz DWDZVDURRMFQQP-SANMLTNESA-N 1 0 462.598 3.542 20 30 JHEDRO CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001306195244 1068586573 /nfs/dbraw/zinc/58/65/73/1068586573.db2.gz YWQVRUQTDIZWRP-PMACEKPBSA-N 1 0 467.637 3.934 20 30 JHEDRO CCc1nnc(N2CCN(c3c(C#N)cnc4ccccc43)CC2)n1CC[NH+](C(C)C)C(C)C ZINC001306195219 1068586636 /nfs/dbraw/zinc/58/66/36/1068586636.db2.gz YSWABVZZANJTSY-UHFFFAOYSA-N 1 0 460.630 3.706 20 30 JHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001306317648 1068738822 /nfs/dbraw/zinc/73/88/22/1068738822.db2.gz AZBNYRZBYFEYQD-QHCPKHFHSA-N 1 0 477.657 3.776 20 30 JHEDRO CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)s2)CC[N@@H+]1CCOC ZINC001306406952 1068879715 /nfs/dbraw/zinc/87/97/15/1068879715.db2.gz RPNHJQHLTCANMW-NRFANRHFSA-N 1 0 450.612 3.782 20 30 JHEDRO CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCCC2)CC[N@@H+]1CCOC ZINC001306451825 1068971711 /nfs/dbraw/zinc/97/17/11/1068971711.db2.gz NQWSAHFSMYXGOV-QHCPKHFHSA-N 1 0 466.630 3.856 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(Cl)cc(C#N)n3)CC2)c2ccccc21 ZINC001164681189 719666254 /nfs/dbraw/zinc/66/62/54/719666254.db2.gz KMCKABJWFABDIM-SFHVURJKSA-N 1 0 452.002 3.700 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc4c(c3C#N)CCCC4)CC2)c2ccccc21 ZINC001164682171 719683084 /nfs/dbraw/zinc/68/30/84/719683084.db2.gz BULBXXARRDXEHY-QFIPXVFZSA-N 1 0 471.649 3.925 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)nc1 ZINC001164696940 719783163 /nfs/dbraw/zinc/78/31/63/719783163.db2.gz WSIUOGHWZRQVFZ-LEAFIULHSA-N 1 0 489.620 3.529 20 30 JHEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1nc(C#N)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164712732 720132163 /nfs/dbraw/zinc/13/21/63/720132163.db2.gz OSDNYDYUMXLQNF-QFIPXVFZSA-N 1 0 476.625 3.840 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2nc3cc(F)c(F)cc3c(Cl)c2C#N)CC1 ZINC001164826706 720356443 /nfs/dbraw/zinc/35/64/43/720356443.db2.gz KUJVWPQGFWMKFN-NHCUHLMSSA-N 1 0 473.955 3.950 20 30 JHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164830582 720356477 /nfs/dbraw/zinc/35/64/77/720356477.db2.gz WBWSDZBXDKYHBH-RTWAWAEBSA-N 1 0 452.002 3.980 20 30 JHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001164745323 720859005 /nfs/dbraw/zinc/85/90/05/720859005.db2.gz DBAYMSUBYXASBO-TUNNFDKTSA-N 1 0 490.999 3.765 20 30 JHEDRO CCOC(=O)c1cc(C)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C#N ZINC001164748470 720881663 /nfs/dbraw/zinc/88/16/63/720881663.db2.gz FEJFWLSIJDOTDP-NEKDWFFYSA-N 1 0 489.620 3.589 20 30 JHEDRO N#CC1(c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)nc2)CCOCC1 ZINC001164753685 720906041 /nfs/dbraw/zinc/90/60/41/720906041.db2.gz SBJBBQZLHXFYDJ-GGXMVOPNSA-N 1 0 487.648 3.803 20 30 JHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc1F ZINC001164862650 721094367 /nfs/dbraw/zinc/09/43/67/721094367.db2.gz ABXNAPCPHAOKNO-MOPGFXCFSA-N 1 0 464.932 3.682 20 30 JHEDRO CSc1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1C#N ZINC001164866740 721108513 /nfs/dbraw/zinc/10/85/13/721108513.db2.gz UTXJQPCFEQWAQB-NHCUHLMSSA-N 1 0 458.591 3.612 20 30 JHEDRO Cn1cc(C[N@@H+]2CC[C@H]3CN(C(F)(F)c4cc(-c5ccc(C#N)cc5)nnc4Cl)C[C@@H]3C2)cn1 ZINC001164764759 721246527 /nfs/dbraw/zinc/24/65/27/721246527.db2.gz PTIYITRPPIVQHO-PMACEKPBSA-N 1 0 483.954 3.905 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(OC)nc(Cl)c1C#N)CC2 ZINC001164782702 721462411 /nfs/dbraw/zinc/46/24/11/721462411.db2.gz BAXKLSGLGZZRCA-SFHVURJKSA-N 1 0 499.002 3.894 20 30 JHEDRO CSc1nc(Cl)c(C=NO)c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907479 721694900 /nfs/dbraw/zinc/69/49/00/721694900.db2.gz UDYPTMQAZJQZFK-IBGZPJMESA-N 1 0 468.961 3.793 20 30 JHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164912938 721724580 /nfs/dbraw/zinc/72/45/80/721724580.db2.gz RINACHAHRWVAPL-KBMIEXCESA-N 1 0 492.530 3.543 20 30 JHEDRO C=CCN1CCN(c2c3c(cnc2Cl)C2(CC[NH+](Cc4ccccc4)CC2)OC3=O)CC1 ZINC001165031959 721869634 /nfs/dbraw/zinc/86/96/34/721869634.db2.gz FHYQHLGGLMBMBT-UHFFFAOYSA-N 1 0 452.986 3.705 20 30 JHEDRO Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCC(C[NH+](C)C)CC2)cc1 ZINC001165044584 721949093 /nfs/dbraw/zinc/94/90/93/721949093.db2.gz FPZUQJRTFZSOLE-QHCPKHFHSA-N 1 0 463.607 3.755 20 30 JHEDRO CC(C)(C)OC(=O)[C@@H](C#N)c1nccnc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995567 722211364 /nfs/dbraw/zinc/21/13/64/722211364.db2.gz JSIBSPOFRHBSGI-NBGIEHNGSA-N 1 0 451.546 3.809 20 30 JHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)c12 ZINC001165003440 722258163 /nfs/dbraw/zinc/25/81/63/722258163.db2.gz CZMSTYPLRUGTHM-UHFFFAOYSA-N 1 0 456.953 3.892 20 30 JHEDRO C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001311493271 1069404303 /nfs/dbraw/zinc/40/43/03/1069404303.db2.gz LGJDVOIYRCRDRD-CPJSRVTESA-N 1 0 459.594 3.927 20 30 JHEDRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 ZINC001306679772 1069405941 /nfs/dbraw/zinc/40/59/41/1069405941.db2.gz JTCHQKVHPRLDRG-DEOSSOPVSA-N 1 0 498.697 3.732 20 30 JHEDRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C)n(C)c2=O)CC1 ZINC001306680730 1069408703 /nfs/dbraw/zinc/40/87/03/1069408703.db2.gz ZZMIZDLVPOBSCD-UHFFFAOYSA-N 1 0 487.652 3.821 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 ZINC001306724129 1069464807 /nfs/dbraw/zinc/46/48/07/1069464807.db2.gz WJXHHADTISJCOD-UKILVPOCSA-N 1 0 477.657 3.776 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CC)nnc1N1CCN(c2cccc(F)c2C#N)CC1 ZINC001306729106 1069477159 /nfs/dbraw/zinc/47/71/59/1069477159.db2.gz WCNNPSMMHYGEEV-HXUWFJFHSA-N 1 0 453.610 3.832 20 30 JHEDRO CCC[N@H+](C)C[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C#N)o2)C1 ZINC001306787610 1069591842 /nfs/dbraw/zinc/59/18/42/1069591842.db2.gz AYEAHSFABXPLIJ-STZQEDGTSA-N 1 0 454.619 3.878 20 30 JHEDRO C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)CCc2ccc(I)cc2)CC1 ZINC001311891405 1069600435 /nfs/dbraw/zinc/60/04/35/1069600435.db2.gz LFADFXVOOFDTCN-INIZCTEOSA-N 1 0 455.384 3.952 20 30 JHEDRO CCC[N@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001306807119 1069620836 /nfs/dbraw/zinc/62/08/36/1069620836.db2.gz OQXVQPMOFDNARH-UHFFFAOYSA-N 1 0 462.520 3.896 20 30 JHEDRO CCC[N@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 ZINC001306807699 1069622853 /nfs/dbraw/zinc/62/28/53/1069622853.db2.gz YCYKHHAOGPGEDI-HSZRJFAPSA-N 1 0 461.618 3.599 20 30 JHEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001307039805 1069764879 /nfs/dbraw/zinc/76/48/79/1069764879.db2.gz SUJWWRNCLYMVBH-RBBKRZOGSA-N 1 0 479.629 3.652 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@](F)(C#N)C1 ZINC001307053512 1069813112 /nfs/dbraw/zinc/81/31/12/1069813112.db2.gz DDOHSBBAJJCUJE-HOYKHHGWSA-N 1 0 456.566 3.669 20 30 JHEDRO Cc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(OC[C@@H]2CCCO2)c1 ZINC001312257347 1069814845 /nfs/dbraw/zinc/81/48/45/1069814845.db2.gz YJNSLBGXMUALOR-DEOSSOPVSA-N 1 0 450.583 3.698 20 30 JHEDRO CCC[N@H+](CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)Cc1ccc(C#N)cc1 ZINC001307413585 1069972495 /nfs/dbraw/zinc/97/24/95/1069972495.db2.gz ALHJNKQAPJXZPV-UHFFFAOYSA-N 1 0 454.596 3.584 20 30 JHEDRO Cc1ccc(C[N@@H+](CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C(C)C)s1 ZINC001307427997 1069979671 /nfs/dbraw/zinc/97/96/71/1069979671.db2.gz LYGYYKHIXVSQTM-UHFFFAOYSA-N 1 0 453.568 3.735 20 30 JHEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH+]2CCC(Cc3cc(Cl)ccc3Cl)CC2)CC1 ZINC001307510006 1070025480 /nfs/dbraw/zinc/02/54/80/1070025480.db2.gz DJCULHCXOCTKLG-JOCHJYFZSA-N 1 0 451.442 3.940 20 30 JHEDRO N#C[C@H](c1ccc(Br)cc1)N1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC001307654167 1070104497 /nfs/dbraw/zinc/10/44/97/1070104497.db2.gz NFOBAZTVTHVUBI-JOCHJYFZSA-N 1 0 453.384 3.611 20 30 JHEDRO C#C[C@@H](NC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC)c1ccc(Br)cc1 ZINC001312884504 1070166397 /nfs/dbraw/zinc/16/63/97/1070166397.db2.gz HQDRWOFWGPDHDL-YMPZKCBVSA-N 1 0 470.411 3.960 20 30 JHEDRO O=C(N1CCc2ccc([C@H](O)C[NH+]3CCC4(CC3)C(F)(F)C4(F)F)cc2C1)C(F)(F)F ZINC001307902826 1070232459 /nfs/dbraw/zinc/23/24/59/1070232459.db2.gz BVMIIGDFZZKFSW-OAHLLOKOSA-N 1 0 454.386 3.533 20 30 JHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)c1C ZINC001307912898 1070236878 /nfs/dbraw/zinc/23/68/78/1070236878.db2.gz DHFLINKZQMEOPS-LJQANCHMSA-N 1 0 458.484 3.660 20 30 JHEDRO CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC1([NH+](C)C)CCCC1 ZINC001314390926 1070245471 /nfs/dbraw/zinc/24/54/71/1070245471.db2.gz QBANZBSBZJGRGV-UHFFFAOYSA-N 1 0 472.037 3.541 20 30 JHEDRO CCOCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001314458365 1070359407 /nfs/dbraw/zinc/35/94/07/1070359407.db2.gz XFZUKOGYXAGPLL-XMMPIXPASA-N 1 0 466.630 3.573 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 ZINC001313448643 1070371518 /nfs/dbraw/zinc/37/15/18/1070371518.db2.gz SIEQTVOVMKJQGX-NQIIRXRSSA-N 1 0 475.563 3.764 20 30 JHEDRO CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CC[C@H](C)[NH+]2CCCCC2)c2ccccc2c1=O ZINC001313452121 1070381503 /nfs/dbraw/zinc/38/15/03/1070381503.db2.gz FQZIEUFOHCMHHX-RTWAWAEBSA-N 1 0 490.656 3.925 20 30 JHEDRO CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H](CC)[NH+]2CCCC2)c2ccccc2c1=O ZINC001313452170 1070382311 /nfs/dbraw/zinc/38/23/11/1070382311.db2.gz GNFOCLNKUDRSON-UXHICEINSA-N 1 0 476.629 3.535 20 30 JHEDRO CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314490060 1070401521 /nfs/dbraw/zinc/40/15/21/1070401521.db2.gz IRICOECTWBZGRI-GMAHTHKFSA-N 1 0 466.630 3.856 20 30 JHEDRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@H]1CC ZINC001314496439 1070417273 /nfs/dbraw/zinc/41/72/73/1070417273.db2.gz QVOLXIRUKYUPCV-OAQYLSRUSA-N 1 0 450.612 3.864 20 30 JHEDRO CCN(c1nnc(COc2ccc(C#N)cc2)n1CCN1CC[N@H+](C)C(C)(C)C1)C1CCCC1 ZINC001313619146 1070744813 /nfs/dbraw/zinc/74/48/13/1070744813.db2.gz JVDBGSFSVFBAJD-UHFFFAOYSA-N 1 0 465.646 3.524 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC001314648559 1070752509 /nfs/dbraw/zinc/75/25/09/1070752509.db2.gz KXYGIKBBMUYWMV-QFIPXVFZSA-N 1 0 479.629 3.650 20 30 JHEDRO C[NH+](C)C1(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CCO[C@@H](C#N)C2)CCCC1 ZINC001314653318 1070765913 /nfs/dbraw/zinc/76/59/13/1070765913.db2.gz MSHMKVHHWHQKDT-INIZCTEOSA-N 1 0 493.837 3.964 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@](C)(C#N)C1)C1CCCCC1 ZINC001314654590 1070769786 /nfs/dbraw/zinc/76/97/86/1070769786.db2.gz KIMSVWWGKUCJOB-NBGIEHNGSA-N 1 0 483.686 3.910 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1)c1cccs1 ZINC001314655310 1070772093 /nfs/dbraw/zinc/77/20/93/1070772093.db2.gz OSTDQFOWLDRCMY-GCJKJVERSA-N 1 0 458.538 3.803 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC=C(Br)C1)C1CC1 ZINC001314655660 1070773338 /nfs/dbraw/zinc/77/33/38/1070773338.db2.gz RJODEJVIPWOUKO-HXUWFJFHSA-N 1 0 471.403 3.558 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001314665042 1070796158 /nfs/dbraw/zinc/79/61/58/1070796158.db2.gz KHYVVPCGTOFVDA-HXUWFJFHSA-N 1 0 481.645 3.756 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nnc1C(C)(C)C ZINC001314666388 1070798862 /nfs/dbraw/zinc/79/88/62/1070798862.db2.gz QEXPQSICIYWBQN-UHFFFAOYSA-N 1 0 480.617 3.610 20 30 JHEDRO C[NH+](C)CCCOc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 ZINC001314667842 1070802439 /nfs/dbraw/zinc/80/24/39/1070802439.db2.gz VUGLQBRIRACALY-SANMLTNESA-N 1 0 459.598 3.849 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 ZINC001313669162 1070894120 /nfs/dbraw/zinc/89/41/20/1070894120.db2.gz STBNGEXKRXBQBX-IEGUWTFLSA-N 1 0 463.602 3.522 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1)c1ccsc1 ZINC001313672859 1070905628 /nfs/dbraw/zinc/90/56/28/1070905628.db2.gz BNHPWXWAELQYPU-QFIPXVFZSA-N 1 0 466.611 3.710 20 30 JHEDRO CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N ZINC001309669771 1070914080 /nfs/dbraw/zinc/91/40/80/1070914080.db2.gz DNLMWZCYUWLEFL-UHFFFAOYSA-N 1 0 450.948 3.653 20 30 JHEDRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C#N)o2)CC1 ZINC001313696407 1070963317 /nfs/dbraw/zinc/96/33/17/1070963317.db2.gz GRDCEOWOEYGLBB-UHFFFAOYSA-N 1 0 452.534 3.820 20 30 JHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2cccs2)C1 ZINC001313701687 1070981406 /nfs/dbraw/zinc/98/14/06/1070981406.db2.gz JJCQQHHIGLKHOL-CJFMBICVSA-N 1 0 464.639 3.954 20 30 JHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(F)(F)Br)C1 ZINC001313702291 1070983457 /nfs/dbraw/zinc/98/34/57/1070983457.db2.gz NYBAJVKCRDXIGG-MRXNPFEDSA-N 1 0 467.362 3.973 20 30 JHEDRO CC[NH+](CC)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1nc2ccsc2c(=O)[nH]1 ZINC001313713667 1071010899 /nfs/dbraw/zinc/01/08/99/1071010899.db2.gz CFLLNEBEPDOCQS-UHFFFAOYSA-N 1 0 476.610 3.895 20 30 JHEDRO CC[NH+](CC)CCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 ZINC001313715881 1071014920 /nfs/dbraw/zinc/01/49/20/1071014920.db2.gz KTFNSWPTBQKRTQ-QFIPXVFZSA-N 1 0 466.630 3.592 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 ZINC001313721151 1071023340 /nfs/dbraw/zinc/02/33/40/1071023340.db2.gz HCSIMHDPABYRAY-IRLDBZIGSA-N 1 0 466.630 3.569 20 30 JHEDRO 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 1071151318 /nfs/dbraw/zinc/15/13/18/1071151318.db2.gz SVJNKIKDIWTRJI-IMSXRSKXSA-N 1 0 496.656 3.622 20 30 JHEDRO C[N@H+](CCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 ZINC001314852178 1071226090 /nfs/dbraw/zinc/22/60/90/1071226090.db2.gz QCSDAHHIRBEJJJ-QFIPXVFZSA-N 1 0 473.021 3.894 20 30 JHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1)CCC(F)(F)F ZINC001313806850 1071226629 /nfs/dbraw/zinc/22/66/29/1071226629.db2.gz ZTTQWHOAUHPMTH-YLJYHZDGSA-N 1 0 464.536 3.952 20 30 JHEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCCC2=O)CC1)C(C)C ZINC001313807706 1071229638 /nfs/dbraw/zinc/22/96/38/1071229638.db2.gz VXLIIVMTQDPZJC-UHFFFAOYSA-N 1 0 463.630 3.528 20 30 JHEDRO CC[N@H+](CCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)C(C)C ZINC001313819886 1071275368 /nfs/dbraw/zinc/27/53/68/1071275368.db2.gz DPGYMZVHDADDPV-UHFFFAOYSA-N 1 0 493.059 3.846 20 30 JHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(Br)n2)C[C@H]1C ZINC001313859966 1071366345 /nfs/dbraw/zinc/36/63/45/1071366345.db2.gz JJSZSHJYPLSQJG-SJORKVTESA-N 1 0 480.414 3.941 20 30 JHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(Br)n2)C[C@@H]1C ZINC001313859964 1071366378 /nfs/dbraw/zinc/36/63/78/1071366378.db2.gz JJSZSHJYPLSQJG-IRXDYDNUSA-N 1 0 480.414 3.941 20 30 JHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313869026 1071407358 /nfs/dbraw/zinc/40/73/58/1071407358.db2.gz PLUUHPGBNHISLH-ROUUACIJSA-N 1 0 463.552 3.620 20 30 JHEDRO CC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2cc(Cl)ccn2)C1 ZINC001313891546 1071485314 /nfs/dbraw/zinc/48/53/14/1071485314.db2.gz XIGDAKKPDWVBHO-LJQANCHMSA-N 1 0 465.989 3.755 20 30 JHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@H]1C ZINC001313913748 1071544402 /nfs/dbraw/zinc/54/44/02/1071544402.db2.gz LRUWMLWUKVWAON-TZIWHRDSSA-N 1 0 452.603 3.607 20 30 JHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001313913746 1071544465 /nfs/dbraw/zinc/54/44/65/1071544465.db2.gz LRUWMLWUKVWAON-PZJWPPBQSA-N 1 0 452.603 3.607 20 30 JHEDRO CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](c1cccs1)[NH+]1CCCC1 ZINC001315027601 1071554449 /nfs/dbraw/zinc/55/44/49/1071554449.db2.gz UPSZEWFDTSMMFD-NRFANRHFSA-N 1 0 477.638 3.678 20 30 JHEDRO CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC001315028614 1071556406 /nfs/dbraw/zinc/55/64/06/1071556406.db2.gz ICWXMNNVSYDGLZ-HSZRJFAPSA-N 1 0 463.630 3.576 20 30 JHEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3sc(-c4ccccc4)nc3C)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001313919697 1071557324 /nfs/dbraw/zinc/55/73/24/1071557324.db2.gz FHTRTWHQCCEPMQ-PMACEKPBSA-N 1 0 492.697 3.999 20 30 JHEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001313924437 1071570414 /nfs/dbraw/zinc/57/04/14/1071570414.db2.gz FVRNXAPQPDPUKB-NQIIRXRSSA-N 1 0 475.563 3.621 20 30 JHEDRO CCN1CC[NH+](C[C@H](C)Cn2c(N(Cc3ccc(C#N)cc3)C3CC3)nnc2C(C)(C)C)CC1 ZINC001313953345 1071648364 /nfs/dbraw/zinc/64/83/64/1071648364.db2.gz XRPQIJVMLOMODB-NRFANRHFSA-N 1 0 463.674 3.890 20 30 JHEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(N(Cc3ccc(C#N)cc3)C3CC3)nnc2C(C)(C)C)CC1 ZINC001313953347 1071648490 /nfs/dbraw/zinc/64/84/90/1071648490.db2.gz XRPQIJVMLOMODB-OAQYLSRUSA-N 1 0 463.674 3.890 20 30 JHEDRO CCN1CC[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2scnc2C)CC1 ZINC001313955695 1071656039 /nfs/dbraw/zinc/65/60/39/1071656039.db2.gz YPUQMGWGBOUBOW-UHFFFAOYSA-N 1 0 478.670 3.636 20 30 JHEDRO CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c2ccccc2c1=O ZINC001313958448 1071664054 /nfs/dbraw/zinc/66/40/54/1071664054.db2.gz CEAMQLNBCUQFIZ-NJDAHSKKSA-N 1 0 490.656 3.781 20 30 JHEDRO CCNC(=O)C(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001313963864 1071679080 /nfs/dbraw/zinc/67/90/80/1071679080.db2.gz ORKVLIAARHPBCN-FQEVSTJZSA-N 1 0 465.646 3.538 20 30 JHEDRO 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 1071794241 /nfs/dbraw/zinc/79/42/41/1071794241.db2.gz PVECORUCBQRGTC-MIZPHKNDSA-N 1 0 481.645 3.896 20 30 JHEDRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CC[NH+](CC)CC2)C1 ZINC001314034541 1071816198 /nfs/dbraw/zinc/81/61/98/1071816198.db2.gz ULMMOUOKRVMPFH-HSZRJFAPSA-N 1 0 479.629 3.654 20 30 JHEDRO CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H](c2ccc(CC)cc2)[NH+](C)C)CCOC1 ZINC001314111189 1072004977 /nfs/dbraw/zinc/00/49/77/1072004977.db2.gz HNSHIVCJBQOCSY-SHQCIBLASA-N 1 0 480.657 3.926 20 30 JHEDRO CC[C@H]1c2ccsc2CCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCC[NH+](C)C ZINC001306280577 1068696781 /nfs/dbraw/zinc/69/67/81/1068696781.db2.gz YJJHABMXRBQUKD-NRFANRHFSA-N 1 0 450.612 3.970 20 30 JHEDRO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2sc(C)nc2C)CC[N@@H+]1CCOC ZINC001306405456 1068873718 /nfs/dbraw/zinc/87/37/18/1068873718.db2.gz OQJFTNWGDMUFKD-JOCHJYFZSA-N 1 0 479.654 3.680 20 30 JHEDRO CC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2Cc2ccc(C#N)o2)CC[N@@H+]1CCOC ZINC001306408422 1068885050 /nfs/dbraw/zinc/88/50/50/1068885050.db2.gz IPUAMTQYSCIDEW-IBGZPJMESA-N 1 0 454.962 3.658 20 30 JHEDRO CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCCC2)CC[N@@H+]1CCOC ZINC001306451824 1068971797 /nfs/dbraw/zinc/97/17/97/1068971797.db2.gz NQWSAHFSMYXGOV-HSZRJFAPSA-N 1 0 466.630 3.856 20 30 JHEDRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001306498260 1069048829 /nfs/dbraw/zinc/04/88/29/1069048829.db2.gz NBKRFGCUVSIORC-QFIPXVFZSA-N 1 0 463.630 3.576 20 30 JHEDRO CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001306551470 1069215177 /nfs/dbraw/zinc/21/51/77/1069215177.db2.gz XVSGDECOERYXKN-RTWAWAEBSA-N 1 0 477.657 3.680 20 30 JHEDRO CCC[C@H](Cn1c(-c2cccnc2)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)OC ZINC001306591628 1069261289 /nfs/dbraw/zinc/26/12/89/1069261289.db2.gz XRWWONLFHBBVDI-XMMPIXPASA-N 1 0 459.598 3.739 20 30 JHEDRO C[NH+](C)C[C@@H](NC(=O)Nc1ccc(C#N)cc1I)c1ccc(F)cc1 ZINC001311209356 1069298064 /nfs/dbraw/zinc/29/80/64/1069298064.db2.gz IPZZVWMPWQZWOX-QGZVFWFLSA-N 1 0 452.271 3.726 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1[C@H](C(F)(F)F)CCC12CC[NH2+]CC2 ZINC001164413924 718880892 /nfs/dbraw/zinc/88/08/92/718880892.db2.gz ODKHUGOTGVMHBE-ZDUSSCGKSA-N 1 0 466.838 3.982 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc(Cl)c(F)cc3C#N)CC2)c2ccccc21 ZINC001164684404 719656426 /nfs/dbraw/zinc/65/64/26/719656426.db2.gz XHEHOTPZDUSUSY-KRWDZBQOSA-N 1 0 469.992 3.839 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncc4c(c3C#N)CCCC4)CC2)c2ccccc21 ZINC001164682164 719682853 /nfs/dbraw/zinc/68/28/53/719682853.db2.gz BULBXXARRDXEHY-JOCHJYFZSA-N 1 0 471.649 3.925 20 30 JHEDRO Cn1nnc2c1CCN(c1c(C#N)c(Cl)nc3cccc(Cl)c31)[C@H]2COCC[NH+]1CCCC1 ZINC001164719710 720208182 /nfs/dbraw/zinc/20/81/82/720208182.db2.gz SRRHDVLAHXXEBV-IBGZPJMESA-N 1 0 486.407 3.758 20 30 JHEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1cnc(Cl)nc1Oc1cccc(C#N)c1)CCC2 ZINC001164817697 720245142 /nfs/dbraw/zinc/24/51/42/720245142.db2.gz TXAPZEAYQUHXMD-UHFFFAOYSA-N 1 0 479.972 3.601 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc3cc(F)c(F)cc3c(Cl)c2C#N)CC1 ZINC001164826693 720357221 /nfs/dbraw/zinc/35/72/21/720357221.db2.gz KUJVWPQGFWMKFN-LEWJYISDSA-N 1 0 473.955 3.950 20 30 JHEDRO CSc1nc(Cl)c(C=NO)c(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)n1 ZINC001164838263 720677300 /nfs/dbraw/zinc/67/73/00/720677300.db2.gz GVHSYMDXMHURGG-KRWDZBQOSA-N 1 0 462.019 3.920 20 30 JHEDRO C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nccnc1[C@@H](C#N)C(=O)OC(C)(C)C)CC2 ZINC001164840301 720721502 /nfs/dbraw/zinc/72/15/02/720721502.db2.gz OTPOTZQNMABPDW-FGZHOGPDSA-N 1 0 477.609 3.685 20 30 JHEDRO N#Cc1ccc(-c2ccc(F)cc2)nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164749951 720813238 /nfs/dbraw/zinc/81/32/38/720813238.db2.gz UVLCLOMSLRBGIU-NMVJMZGASA-N 1 0 457.557 3.730 20 30 JHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1F ZINC001164744061 720830753 /nfs/dbraw/zinc/83/07/53/720830753.db2.gz UBSQONUBVUDTDY-SELNLUPBSA-N 1 0 492.990 3.779 20 30 JHEDRO CCOC(=O)c1cc(C)nc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1C#N ZINC001164748466 720881305 /nfs/dbraw/zinc/88/13/05/720881305.db2.gz FEJFWLSIJDOTDP-FIPFOOKPSA-N 1 0 489.620 3.589 20 30 JHEDRO N#Cc1c2c(cnc1N1CC[C@@]3(C1)C[N@H+](CC1CC1)C[C@@H]3COCc1cccnc1)CCCC2 ZINC001164749981 720938609 /nfs/dbraw/zinc/93/86/09/720938609.db2.gz IQMISBIRJRPWTO-YWEHKCAJSA-N 1 0 457.622 3.982 20 30 JHEDRO Cc1ccc2nc(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c(C#N)c(Cl)c2c1 ZINC001164889119 721454000 /nfs/dbraw/zinc/45/40/00/721454000.db2.gz NQVVGHQGGVOAOG-DFBJGRDBSA-N 1 0 454.018 3.834 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)cc(Cl)c1C#N)CC2 ZINC001164786312 721471699 /nfs/dbraw/zinc/47/16/99/721471699.db2.gz AUEFKEKEZCTUFV-KRWDZBQOSA-N 1 0 453.414 3.994 20 30 JHEDRO CSc1nc(Cl)c(C#N)c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905025 721583495 /nfs/dbraw/zinc/58/34/95/721583495.db2.gz RQWQLEUXGRRSAX-IBGZPJMESA-N 1 0 450.946 3.856 20 30 JHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H]2CCC[C@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028276 721824191 /nfs/dbraw/zinc/82/41/91/721824191.db2.gz VBFYNKGIXUBCHV-WTMJVXIESA-N 1 0 470.577 3.542 20 30 JHEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164970978 722128043 /nfs/dbraw/zinc/12/80/43/722128043.db2.gz AZSJYFJKGPBVSD-GMAHTHKFSA-N 1 0 472.618 3.859 20 30 JHEDRO CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCSC2)CC[N@@H+]1CCOC ZINC001306623676 1069316024 /nfs/dbraw/zinc/31/60/24/1069316024.db2.gz ULQWCRVMWBBQJK-FYYLOGMGSA-N 1 0 468.671 3.897 20 30 JHEDRO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001311493268 1069404198 /nfs/dbraw/zinc/40/41/98/1069404198.db2.gz LGJDVOIYRCRDRD-CJFMBICVSA-N 1 0 459.594 3.927 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001306724076 1069464721 /nfs/dbraw/zinc/46/47/21/1069464721.db2.gz WFKWYLFMNQMBNA-DEOSSOPVSA-N 1 0 477.657 3.953 20 30 JHEDRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC[N@H+](CCC)C2)C1 ZINC001306737284 1069506387 /nfs/dbraw/zinc/50/63/87/1069506387.db2.gz OAIARHJSABFZTL-LADGPHEKSA-N 1 0 477.657 3.681 20 30 JHEDRO CCC[N@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001306807251 1069621670 /nfs/dbraw/zinc/62/16/70/1069621670.db2.gz QLRBGRINPADQGH-SFHVURJKSA-N 1 0 463.552 3.621 20 30 JHEDRO CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](CC(C)C)[NH+](C)C)cc1OC ZINC001314176688 1069706349 /nfs/dbraw/zinc/70/63/49/1069706349.db2.gz KIEFNZIVRPTACX-NTKDMRAZSA-N 1 0 458.582 3.771 20 30 JHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncnn1CC(F)F ZINC001307053530 1069812949 /nfs/dbraw/zinc/81/29/49/1069812949.db2.gz DIHZCWYLSTXGMF-FQEVSTJZSA-N 1 0 483.571 3.574 20 30 JHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 ZINC001307054938 1069818335 /nfs/dbraw/zinc/81/83/35/1069818335.db2.gz MHZXQYKLDMKBBP-GOTSBHOMSA-N 1 0 463.630 3.576 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N ZINC001307054860 1069818275 /nfs/dbraw/zinc/81/82/75/1069818275.db2.gz NSLFCJOCIQRRIV-WIYYLYMNSA-N 1 0 472.037 3.864 20 30 JHEDRO C=CCC[C@@H](NC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccc(C(F)(F)F)cc1 ZINC001312344479 1069875900 /nfs/dbraw/zinc/87/59/00/1069875900.db2.gz ZIJHNHGUNHUQPB-HXUWFJFHSA-N 1 0 454.537 3.908 20 30 JHEDRO 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 ZINC001314242005 1069946192 /nfs/dbraw/zinc/94/61/92/1069946192.db2.gz FWDSNKWSZQLTTG-TZRRMPRUSA-N 1 0 480.657 3.813 20 30 JHEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC1(NC(=O)OC(C)(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC001312731381 1070096394 /nfs/dbraw/zinc/09/63/94/1070096394.db2.gz DBLZGVURGQUUHV-YADHBBJMSA-N 1 0 472.630 3.579 20 30 JHEDRO CC(C)N1CC[NH+](C2CCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCCCC4)CC2)CC1 ZINC001307646547 1070099133 /nfs/dbraw/zinc/09/91/33/1070099133.db2.gz ZGCNHVYNBFOGTM-LJQANCHMSA-N 1 0 457.688 3.706 20 30 JHEDRO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC001307808332 1070193374 /nfs/dbraw/zinc/19/33/74/1070193374.db2.gz WMYFNBMCDZEXFD-IFMALSPDSA-N 1 0 452.555 3.723 20 30 JHEDRO C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001312945648 1070193469 /nfs/dbraw/zinc/19/34/69/1070193469.db2.gz LMXKBRQSFMUDSU-MOPGFXCFSA-N 1 0 455.603 3.562 20 30 JHEDRO CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(C(=O)NCC2(C#N)CCCCC2)CC1 ZINC001313025811 1070225270 /nfs/dbraw/zinc/22/52/70/1070225270.db2.gz DLWJVJWCAKYENI-OYRHEFFESA-N 1 0 459.635 3.718 20 30 JHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001307938797 1070250026 /nfs/dbraw/zinc/25/00/26/1070250026.db2.gz OAWJZJXPIBUNLC-SJORKVTESA-N 1 0 457.493 3.971 20 30 JHEDRO N#Cc1ccccc1NC1CC[NH+](CCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 ZINC001307967658 1070262299 /nfs/dbraw/zinc/26/22/99/1070262299.db2.gz QHMHCWXDZSNOPY-UHFFFAOYSA-N 1 0 451.596 3.503 20 30 JHEDRO CCOC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001314417746 1070285190 /nfs/dbraw/zinc/28/51/90/1070285190.db2.gz FIQJEPYGOKHOJU-JTHBVZDNSA-N 1 0 466.630 3.571 20 30 JHEDRO CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314441142 1070330332 /nfs/dbraw/zinc/33/03/32/1070330332.db2.gz FBSLXSMUFHCXNO-QNWVGRARSA-N 1 0 466.630 3.712 20 30 JHEDRO CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001314459200 1070362378 /nfs/dbraw/zinc/36/23/78/1070362378.db2.gz IDERUXNOAMBGKS-UHFFFAOYSA-N 1 0 450.612 3.670 20 30 JHEDRO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001313472406 1070466411 /nfs/dbraw/zinc/46/64/11/1070466411.db2.gz YZNQEVKCDLRPHD-QHCPKHFHSA-N 1 0 491.684 3.927 20 30 JHEDRO CCCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1OC ZINC001313503445 1070533550 /nfs/dbraw/zinc/53/35/50/1070533550.db2.gz DEQUEQURNVBGJZ-UUOWRZLLSA-N 1 0 456.566 3.669 20 30 JHEDRO CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314570828 1070576736 /nfs/dbraw/zinc/57/67/36/1070576736.db2.gz ZMFBRFZXIAJJEO-MHYLJGINSA-N 1 0 468.671 3.676 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)c1cccs1 ZINC001314648744 1070753234 /nfs/dbraw/zinc/75/32/34/1070753234.db2.gz OUFWSGYEMXDGAB-NRFANRHFSA-N 1 0 491.665 3.876 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001314648929 1070753622 /nfs/dbraw/zinc/75/36/22/1070753622.db2.gz QGCYHFMICVDEIB-SFTDATJTSA-N 1 0 491.596 3.816 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1)c1ccco1 ZINC001314652122 1070762433 /nfs/dbraw/zinc/76/24/33/1070762433.db2.gz DHAXQQNVDTWDBG-PGRDOPGGSA-N 1 0 458.925 3.848 20 30 JHEDRO C[NH+](C)[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC=C(Br)C2)CCSC1 ZINC001314652322 1070762921 /nfs/dbraw/zinc/76/29/21/1070762921.db2.gz GRYDRALFWJYODJ-OAQYLSRUSA-N 1 0 473.444 3.743 20 30 JHEDRO C[NH+](C)C1(Cn2c(-c3cccc(Br)c3)nnc2N2CCO[C@H](C#N)C2)CCCCC1 ZINC001314652328 1070762979 /nfs/dbraw/zinc/76/29/79/1070762979.db2.gz GUBMMGYMIVHGAC-LJQANCHMSA-N 1 0 473.419 3.701 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1)c1cccs1 ZINC001314655853 1070773860 /nfs/dbraw/zinc/77/38/60/1070773860.db2.gz UAZDPWBATJPCFK-LJQANCHMSA-N 1 0 454.625 3.646 20 30 JHEDRO C[NH+](C)CCCOc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 ZINC001314670028 1070810422 /nfs/dbraw/zinc/81/04/22/1070810422.db2.gz NEYHGQIPNJWPLG-NVQXNPDNSA-N 1 0 466.630 3.681 20 30 JHEDRO C[NH+](C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(C1)CCC(F)(F)CC2 ZINC001314670768 1070812629 /nfs/dbraw/zinc/81/26/29/1070812629.db2.gz NLGAHBCMQPGVDI-UHFFFAOYSA-N 1 0 458.557 3.801 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(C(C)C)nnc1N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC001313652262 1070829235 /nfs/dbraw/zinc/82/92/35/1070829235.db2.gz ROAOYHXZOWQOCL-GOSISDBHSA-N 1 0 466.590 3.578 20 30 JHEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCC2(C)C)CC1 ZINC001313699084 1070972624 /nfs/dbraw/zinc/97/26/24/1070972624.db2.gz GUTIQFANODJHEO-HSZRJFAPSA-N 1 0 477.657 3.633 20 30 JHEDRO CC[NH+](CC)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(F)(F)F)CC1 ZINC001313717197 1071017063 /nfs/dbraw/zinc/01/70/63/1071017063.db2.gz BCTRIWSFXHFFDW-UHFFFAOYSA-N 1 0 464.536 3.954 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC001313721618 1071024619 /nfs/dbraw/zinc/02/46/19/1071024619.db2.gz OLACHUFQXIDCCM-RTWAWAEBSA-N 1 0 479.673 3.924 20 30 JHEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001310130256 1071141796 /nfs/dbraw/zinc/14/17/96/1071141796.db2.gz GGJAPRKWJJRWIA-VQTJNVASSA-N 1 0 456.612 3.620 20 30 JHEDRO CC[N@H+](CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@](F)(C#N)C1)C1CC1 ZINC001313802367 1071208301 /nfs/dbraw/zinc/20/83/01/1071208301.db2.gz FHIMIHPSKAXSEP-NRFANRHFSA-N 1 0 477.382 3.642 20 30 JHEDRO CC[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1)CCC(F)(F)F ZINC001313805627 1071220670 /nfs/dbraw/zinc/22/06/70/1071220670.db2.gz MJMXEZQPBJLJFV-IBGZPJMESA-N 1 0 469.443 3.570 20 30 JHEDRO C[N@H+](CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](F)(C#N)C1)C1CCCCC1 ZINC001314858542 1071244426 /nfs/dbraw/zinc/24/44/26/1071244426.db2.gz KDFLXIDGPLVYPN-FQEVSTJZSA-N 1 0 464.387 3.742 20 30 JHEDRO C[NH+]1CCN(c2ccc(CCNC(=O)Nc3cccc(Oc4ccc(C#N)cn4)c3)cc2)CC1 ZINC001310352215 1071331626 /nfs/dbraw/zinc/33/16/26/1071331626.db2.gz RJLWRJVENRIKHH-UHFFFAOYSA-N 1 0 456.550 3.862 20 30 JHEDRO C[N@@H+]1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1(C)C ZINC001314932075 1071378532 /nfs/dbraw/zinc/37/85/32/1071378532.db2.gz YWEXUXFUTPUQIZ-QHCPKHFHSA-N 1 0 479.673 3.627 20 30 JHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)C[C@H]1C ZINC001313864125 1071385488 /nfs/dbraw/zinc/38/54/88/1071385488.db2.gz XGBDFRXACBWORB-UXHICEINSA-N 1 0 463.630 3.527 20 30 JHEDRO CC[NH+]1CCC(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCCCO2)CC1 ZINC001313881402 1071455186 /nfs/dbraw/zinc/45/51/86/1071455186.db2.gz KRVHOAFDMPFGCK-DEOSSOPVSA-N 1 0 466.630 3.856 20 30 JHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(CC#N)CC1 ZINC001313895136 1071495700 /nfs/dbraw/zinc/49/57/00/1071495700.db2.gz YTGCPAHQDVSXEL-GOSISDBHSA-N 1 0 460.424 3.660 20 30 JHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCC(C#N)CC1 ZINC001313896407 1071500216 /nfs/dbraw/zinc/50/02/16/1071500216.db2.gz OWMAWUPYFCJKLU-NRFANRHFSA-N 1 0 452.603 3.965 20 30 JHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC001313897617 1071503214 /nfs/dbraw/zinc/50/32/14/1071503214.db2.gz ZRIGVBFKJTWLBO-FYYLOGMGSA-N 1 0 477.657 3.680 20 30 JHEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001313920776 1071560029 /nfs/dbraw/zinc/56/00/29/1071560029.db2.gz MJGXRVGKRWZDOK-PMACEKPBSA-N 1 0 469.703 3.897 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001313932958 1071597369 /nfs/dbraw/zinc/59/73/69/1071597369.db2.gz NAZAYAXUCITMAO-QGZVFWFLSA-N 1 0 485.514 3.840 20 30 JHEDRO CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC001313937122 1071610213 /nfs/dbraw/zinc/61/02/13/1071610213.db2.gz SZQBXTXSSAOLKT-VQTJNVASSA-N 1 0 481.645 3.993 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(F)cc3Br)n2Cc2ccc(C#N)o2)C[C@@H]1C ZINC001313937476 1071610794 /nfs/dbraw/zinc/61/07/94/1071610794.db2.gz VAJULUXBSFJRCI-AWEZNQCLSA-N 1 0 473.350 3.890 20 30 JHEDRO CCN1CC[NH+](CCCCn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001313954956 1071652534 /nfs/dbraw/zinc/65/25/34/1071652534.db2.gz QUMXFZTYARLGDX-UHFFFAOYSA-N 1 0 471.053 3.541 20 30 JHEDRO CC[NH+]1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001313961518 1071672880 /nfs/dbraw/zinc/67/28/80/1071672880.db2.gz UCKLOHGDOKQJCN-ISKFKSNPSA-N 1 0 479.673 3.771 20 30 JHEDRO CCO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001314064980 1071909481 /nfs/dbraw/zinc/90/94/81/1071909481.db2.gz ZCTATDJQXPZFOO-OFVILXPXSA-N 1 0 480.657 3.957 20 30 JHEDRO CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H](C)C[NH+]2CCN(CC)CC2)cc1 ZINC001305938740 1068245051 /nfs/dbraw/zinc/24/50/51/1068245051.db2.gz BPMDABFJJCEAJH-WXVAWEFUSA-N 1 0 463.674 3.911 20 30 JHEDRO CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC001305941952 1068252724 /nfs/dbraw/zinc/25/27/24/1068252724.db2.gz UJBNDLWEZCWFFH-ZEQKJWHPSA-N 1 0 450.631 3.874 20 30 JHEDRO CCc1nc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)cs1 ZINC001306030671 1068429990 /nfs/dbraw/zinc/42/99/90/1068429990.db2.gz WVVNTYPDTQKLJI-LJQANCHMSA-N 1 0 479.654 3.973 20 30 JHEDRO CCc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@@](C)(O)c1cc(C)oc1C ZINC001306180071 1068570459 /nfs/dbraw/zinc/57/04/59/1068570459.db2.gz DWDZVDURRMFQQP-AREMUKBSSA-N 1 0 462.598 3.542 20 30 JHEDRO CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC001306193189 1068583701 /nfs/dbraw/zinc/58/37/01/1068583701.db2.gz KHOKJRJNXREBFS-HXUWFJFHSA-N 1 0 458.614 3.563 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 ZINC001306320134 1068748092 /nfs/dbraw/zinc/74/80/92/1068748092.db2.gz QESQMBBJSBOPFK-DVECYGJZSA-N 1 0 456.566 3.669 20 30 JHEDRO CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](CC)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001306409940 1068889422 /nfs/dbraw/zinc/88/94/22/1068889422.db2.gz LZPNGFFCZBTORC-AMDXRBSFSA-N 1 0 480.657 3.957 20 30 JHEDRO CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCCCC2)C[C@H](C)O1 ZINC001306455860 1068979894 /nfs/dbraw/zinc/97/98/94/1068979894.db2.gz UHASCADOHIRWQH-UNMCSNQZSA-N 1 0 466.630 3.997 20 30 JHEDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001310521786 1068998129 /nfs/dbraw/zinc/99/81/29/1068998129.db2.gz ZEQTZPLYTWCIAQ-JXFKEZNVSA-N 1 0 453.909 3.746 20 30 JHEDRO CCOC(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)C2 ZINC001164617804 719006818 /nfs/dbraw/zinc/00/68/18/719006818.db2.gz PYRQMGIHLZHRLJ-MGPUTAFESA-N 1 0 473.351 3.954 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@]2(C[NH2+]C[C@H]2c2ccccc2)C1 ZINC001164624011 719046907 /nfs/dbraw/zinc/04/69/07/719046907.db2.gz NQLDENARPXAYSX-AVRDEDQJSA-N 1 0 460.912 3.912 20 30 JHEDRO CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(c1C#N)CCC[NH2+]C3)CC2 ZINC001164664059 719345467 /nfs/dbraw/zinc/34/54/67/719345467.db2.gz PJLSSOXFXPKYND-UHFFFAOYSA-N 1 0 467.621 3.684 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc(Cl)c2C#N)CC1 ZINC001164823861 720293315 /nfs/dbraw/zinc/29/33/15/720293315.db2.gz QKGYWTYRJOWXHK-SJORKVTESA-N 1 0 472.367 3.716 20 30 JHEDRO CC(C)[N@H+]1[C@@H]2CCN(c3ccc([C@H](C#N)c4ccccc4F)nn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838516 720565787 /nfs/dbraw/zinc/56/57/87/720565787.db2.gz OFGNTJHWPUQZCH-BVVSVSJTSA-N 1 0 459.573 3.845 20 30 JHEDRO COCC[N@@H+]1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C#N)c4)c3)CC[C@H]2C1 ZINC001164861981 720892310 /nfs/dbraw/zinc/89/23/10/720892310.db2.gz ZWMZNHKCUDUHCY-SIKLNZKXSA-N 1 0 476.955 3.992 20 30 JHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164870112 721186345 /nfs/dbraw/zinc/18/63/45/721186345.db2.gz SRWSHLBOAQUTDL-FPOVZHCZSA-N 1 0 462.941 3.669 20 30 JHEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)c4C#N)C3)O2)CC1 ZINC001164885606 721383944 /nfs/dbraw/zinc/38/39/44/721383944.db2.gz CVFMLMPMAOLBJX-QRWLVFNGSA-N 1 0 474.383 3.570 20 30 JHEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@@]3(C2)CCC[C@@H](C[NH+]2CCN(C)CC2)O3)c1C#N ZINC001164885147 721421146 /nfs/dbraw/zinc/42/11/46/721421146.db2.gz FYDYQKKLWDCXOZ-HFZDXXHNSA-N 1 0 478.666 3.503 20 30 JHEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4cnc(Cl)nc4Oc4ccc(C#N)cc4)C3)O2)CC1 ZINC001164885987 721450348 /nfs/dbraw/zinc/45/03/48/721450348.db2.gz GBJNKWATJQTIHU-SQJMNOBHSA-N 1 0 483.016 3.559 20 30 JHEDRO C[NH+](C)[C@H]1CCCN(c2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001165037841 721895506 /nfs/dbraw/zinc/89/55/06/721895506.db2.gz ZMRVGRGIVHSDEG-UWJYYQICSA-N 1 0 469.998 3.852 20 30 JHEDRO CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)C[NH+]2CCCCC2)CCO1 ZINC001306632381 1069333798 /nfs/dbraw/zinc/33/37/98/1069333798.db2.gz LFMHVVMIEYSYGN-QPPBQGQZSA-N 1 0 466.630 3.856 20 30 JHEDRO CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[N@@H+]2CCCC[C@@H]2CC)CCO1 ZINC001306633270 1069336182 /nfs/dbraw/zinc/33/61/82/1069336182.db2.gz RULXSOHNHBATSE-UPVQGACJSA-N 1 0 466.630 3.999 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC#N ZINC001306722334 1069459623 /nfs/dbraw/zinc/45/96/23/1069459623.db2.gz HDNIAHBYNRTAOO-UXHICEINSA-N 1 0 486.690 3.631 20 30 JHEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC001311852831 1069580335 /nfs/dbraw/zinc/58/03/35/1069580335.db2.gz XIOJFUAZGLCLSK-HXUWFJFHSA-N 1 0 450.583 3.950 20 30 JHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C#N)o2)C1 ZINC001306787611 1069591820 /nfs/dbraw/zinc/59/18/20/1069591820.db2.gz AYEAHSFABXPLIJ-VLCRHTCISA-N 1 0 454.619 3.878 20 30 JHEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CC(F)(F)F)[C@@H](C)C2)C1 ZINC001307032566 1069745513 /nfs/dbraw/zinc/74/55/13/1069745513.db2.gz DXHLNDMAGPOLIH-ICSRJNTNSA-N 1 0 475.563 3.621 20 30 JHEDRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)OC(C)(C)C)CC1 ZINC001307052111 1069807466 /nfs/dbraw/zinc/80/74/66/1069807466.db2.gz YUZRAYDVLOZRPH-UHFFFAOYSA-N 1 0 497.644 3.564 20 30 JHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COCC)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001307064493 1069866632 /nfs/dbraw/zinc/86/66/32/1069866632.db2.gz BQWWYBJSNKQTKA-QFIPXVFZSA-N 1 0 466.630 3.999 20 30 JHEDRO 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 1069957166 /nfs/dbraw/zinc/95/71/66/1069957166.db2.gz ONAMCWIBACAXPD-VXSCBNMQSA-N 1 0 455.603 3.612 20 30 JHEDRO 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 1069957193 /nfs/dbraw/zinc/95/71/93/1069957193.db2.gz ONAMCWIBACAXPD-RYFAJOAYSA-N 1 0 455.603 3.612 20 30 JHEDRO N#Cc1cc2c(n(CC(=O)Nc3ccc(F)c(Cl)c3)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC001307373087 1069964650 /nfs/dbraw/zinc/96/46/50/1069964650.db2.gz IERBJUZGBYGTEM-UHFFFAOYSA-N 1 0 450.901 3.709 20 30 JHEDRO Cc1c(C)n(C2CCCC2)c(NC(=O)CN2CCC([NH+]3CCN(C(C)C)CC3)CC2)c1C#N ZINC001307646523 1070099358 /nfs/dbraw/zinc/09/93/58/1070099358.db2.gz YVLUCLKONYJCBW-UHFFFAOYSA-N 1 0 454.663 3.521 20 30 JHEDRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)oc21 ZINC001307662398 1070109587 /nfs/dbraw/zinc/10/95/87/1070109587.db2.gz VFIZWFQEMAHWHN-PKOBYXMFSA-N 1 0 452.580 3.953 20 30 JHEDRO CCOc1cccc2cc([C@@H](C)[NH2+]CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)oc21 ZINC001307662396 1070109828 /nfs/dbraw/zinc/10/98/28/1070109828.db2.gz VFIZWFQEMAHWHN-IEBWSBKVSA-N 1 0 452.580 3.953 20 30 JHEDRO N#Cc1ccc(C[N@H+]2CCCN(C(=O)N[C@@H]3CCCC[C@H]3NC(=O)c3ccccc3)CC2)cc1 ZINC001313039297 1070230738 /nfs/dbraw/zinc/23/07/38/1070230738.db2.gz ACKMEKTZSXTOJW-JWQCQUIFSA-N 1 0 459.594 3.517 20 30 JHEDRO Cc1cccc(N(CCC#N)C(=O)C[NH2+][C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)c1C ZINC001307912897 1070236653 /nfs/dbraw/zinc/23/66/53/1070236653.db2.gz DHFLINKZQMEOPS-IBGZPJMESA-N 1 0 458.484 3.660 20 30 JHEDRO CCOC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001314417732 1070284940 /nfs/dbraw/zinc/28/49/40/1070284940.db2.gz FIQJEPYGOKHOJU-FYYLOGMGSA-N 1 0 466.630 3.571 20 30 JHEDRO CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001314441045 1070330215 /nfs/dbraw/zinc/33/02/15/1070330215.db2.gz FBSLXSMUFHCXNO-FUPPJEDESA-N 1 0 466.630 3.712 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC001313447706 1070368043 /nfs/dbraw/zinc/36/80/43/1070368043.db2.gz NAQGNEUBHXCBMP-VDGAXYAQSA-N 1 0 462.520 3.847 20 30 JHEDRO Cn1cc(C[NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)c(-c2ccc(C#N)cc2)n1 ZINC001308404613 1070370832 /nfs/dbraw/zinc/37/08/32/1070370832.db2.gz IVXJSQKJADSEDT-QGZVFWFLSA-N 1 0 457.347 3.801 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001313449655 1070374959 /nfs/dbraw/zinc/37/49/59/1070374959.db2.gz YZTUTARZXZBOGD-FNZWTVRRSA-N 1 0 482.629 3.975 20 30 JHEDRO N#Cc1ccc(Br)c(CNCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)c1 ZINC001308424518 1070373688 /nfs/dbraw/zinc/37/36/88/1070373688.db2.gz KRSJMNFUQBGRHF-UHFFFAOYSA-N 1 0 453.340 3.980 20 30 JHEDRO C=CCCn1cc(CNCC2(NC(=O)OC(C)(C)C)CC[NH+](Cc3ccccc3)CC2)nn1 ZINC001308434768 1070375648 /nfs/dbraw/zinc/37/56/48/1070375648.db2.gz VPIHNXUBPVXWHS-UHFFFAOYSA-N 1 0 454.619 3.503 20 30 JHEDRO CCOCCN(CC)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001314473429 1070384129 /nfs/dbraw/zinc/38/41/29/1070384129.db2.gz MVCVXNKBKXHVIB-WOJBJXKFSA-N 1 0 454.619 3.567 20 30 JHEDRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCO[C@H](C)C2)C[C@H]1CC ZINC001314496496 1070417992 /nfs/dbraw/zinc/41/79/92/1070417992.db2.gz RJYHPYLSURGGDA-TZBSWOFLSA-N 1 0 480.657 3.959 20 30 JHEDRO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001313471125 1070460145 /nfs/dbraw/zinc/46/01/45/1070460145.db2.gz BTCYUPIJSVRBOY-NRFANRHFSA-N 1 0 477.657 3.680 20 30 JHEDRO C[NH+](C)CCN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(CCC#N)cc1 ZINC001309089810 1070532832 /nfs/dbraw/zinc/53/28/32/1070532832.db2.gz GTDRVIRKZKXSHM-UHFFFAOYSA-N 1 0 450.402 3.658 20 30 JHEDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)c1cc(Br)ccc1C#N ZINC001309126505 1070553187 /nfs/dbraw/zinc/55/31/87/1070553187.db2.gz BFPNDPUEMMHZHM-UHFFFAOYSA-N 1 0 456.793 3.727 20 30 JHEDRO CCS[C@@H](C)c1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CC=CCC2)n1 ZINC001314577356 1070586482 /nfs/dbraw/zinc/58/64/82/1070586482.db2.gz PDNMOXCXNHUFKR-SFHVURJKSA-N 1 0 478.626 3.912 20 30 JHEDRO CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001313520609 1070586842 /nfs/dbraw/zinc/58/68/42/1070586842.db2.gz DLHMRBPCRZBKAH-RPBOFIJWSA-N 1 0 480.657 3.959 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C#N)C1)c1cccs1 ZINC001314650257 1070757998 /nfs/dbraw/zinc/75/79/98/1070757998.db2.gz ZFIRTBWLCPTDRE-QZTJIDSGSA-N 1 0 487.427 3.801 20 30 JHEDRO C[NH+](C)C1(Cn2c(-c3ccccc3Br)nnc2N2CCC(C#N)CC2)CCOCC1 ZINC001314652230 1070763017 /nfs/dbraw/zinc/76/30/17/1070763017.db2.gz FSPOUNWGEBBELK-UHFFFAOYSA-N 1 0 473.419 3.558 20 30 JHEDRO C[NH+](C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CCC1 ZINC001314653438 1070766018 /nfs/dbraw/zinc/76/60/18/1070766018.db2.gz OLVOGESFXVSTGP-OAQYLSRUSA-N 1 0 479.629 3.795 20 30 JHEDRO C[NH+](C)CCOc1ccccc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C#N)CC1 ZINC001314668527 1070804653 /nfs/dbraw/zinc/80/46/53/1070804653.db2.gz JJQXMOASXODJLO-ISKFKSNPSA-N 1 0 480.657 3.925 20 30 JHEDRO C[NH+](C)CCOc1ccc(CCn2c(-c3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 ZINC001314670576 1070811695 /nfs/dbraw/zinc/81/16/95/1070811695.db2.gz HBBNRAMVMLUNHD-SANMLTNESA-N 1 0 459.598 3.653 20 30 JHEDRO N#Cc1cc(CS(=O)(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)cs1 ZINC001309568877 1070863150 /nfs/dbraw/zinc/86/31/50/1070863150.db2.gz LWLRIMBYKNQHKY-XZOQPEGZSA-N 1 0 455.580 3.846 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 ZINC001313662186 1070869986 /nfs/dbraw/zinc/86/99/86/1070869986.db2.gz PFMBIZBRIKGDED-OFNKIYASSA-N 1 0 460.630 3.740 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(C)nnc1N1CCN(c2cccc(F)c2C#N)CC1)c1ccco1 ZINC001313666994 1070887127 /nfs/dbraw/zinc/88/71/27/1070887127.db2.gz ZSUVLBOSQUFRDQ-JOCHJYFZSA-N 1 0 451.550 3.600 20 30 JHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2nc(C)cc2C)C1 ZINC001313701700 1070981415 /nfs/dbraw/zinc/98/14/15/1070981415.db2.gz JPRWROGNJOTZCX-QHCPKHFHSA-N 1 0 460.630 3.889 20 30 JHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2F)C1 ZINC001313702571 1070984762 /nfs/dbraw/zinc/98/47/62/1070984762.db2.gz POCGTUCJUFLAOH-HXUWFJFHSA-N 1 0 463.561 3.598 20 30 JHEDRO CC[NH+](CC)CCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001313719308 1071019992 /nfs/dbraw/zinc/01/99/92/1071019992.db2.gz OJFURUTXWICROC-HSZRJFAPSA-N 1 0 469.609 3.589 20 30 JHEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001310130259 1071141535 /nfs/dbraw/zinc/14/15/35/1071141535.db2.gz GGJAPRKWJJRWIA-WOJBJXKFSA-N 1 0 456.612 3.620 20 30 JHEDRO CN(CCc1cccs1)c1nnc(COc2ccc(C#N)cc2)n1CC1([NH+](C)C)CCOCC1 ZINC001314834288 1071172786 /nfs/dbraw/zinc/17/27/86/1071172786.db2.gz UFMFEBGXMONJQC-UHFFFAOYSA-N 1 0 480.638 3.580 20 30 JHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN([C@H](C)c2nccs2)CC1)C(C)C ZINC001313806614 1071225030 /nfs/dbraw/zinc/22/50/30/1071225030.db2.gz VVAWVKDGGBOORW-HXUWFJFHSA-N 1 0 478.670 3.887 20 30 JHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC001310237346 1071226921 /nfs/dbraw/zinc/22/69/21/1071226921.db2.gz JGAFLZIDDCQMHP-IBGZPJMESA-N 1 0 450.539 3.982 20 30 JHEDRO O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)Nc1cccc(C#Cc2ccccn2)c1 ZINC001310276782 1071260838 /nfs/dbraw/zinc/26/08/38/1071260838.db2.gz SDVOUYAYNPYAMZ-UHFFFAOYSA-N 1 0 453.590 3.811 20 30 JHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2Cc2ccc(C#N)o2)C[C@@H]1C ZINC001313859191 1071362391 /nfs/dbraw/zinc/36/23/91/1071362391.db2.gz FLCYFHATRKRJMH-HOTGVXAUSA-N 1 0 456.497 3.978 20 30 JHEDRO CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccco2)[NH+](CC)CC)CC1=O ZINC001313916679 1071553514 /nfs/dbraw/zinc/55/35/14/1071553514.db2.gz IAGSNMQCPAWFJQ-JOCHJYFZSA-N 1 0 475.597 3.551 20 30 JHEDRO CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccco2)[NH+](CC)CC)CC1=O ZINC001313916680 1071553572 /nfs/dbraw/zinc/55/35/72/1071553572.db2.gz IAGSNMQCPAWFJQ-QFIPXVFZSA-N 1 0 475.597 3.551 20 30 JHEDRO CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](C)[NH+]2CCC(C)CC2)c2ccccc2c1=O ZINC001313959004 1071665829 /nfs/dbraw/zinc/66/58/29/1071665829.db2.gz JGWMDWPTBQTNSV-PMACEKPBSA-N 1 0 476.629 3.534 20 30 JHEDRO CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](c2ccsc2)[NH+](C)C)C1 ZINC001314033794 1071815064 /nfs/dbraw/zinc/81/50/64/1071815064.db2.gz PUEPWJMIMFZBHT-FGZHOGPDSA-N 1 0 493.637 3.896 20 30 JHEDRO CCc1ccc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCC[N@H+](C)C(C)C)cc1 ZINC001305945878 1068260362 /nfs/dbraw/zinc/26/03/62/1068260362.db2.gz WTERFHFWOQVFCT-UHFFFAOYSA-N 1 0 472.641 3.831 20 30 JHEDRO CCc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C ZINC001306179709 1068570188 /nfs/dbraw/zinc/57/01/88/1068570188.db2.gz BBBVFZGMRNWPLF-FQEVSTJZSA-N 1 0 481.645 3.680 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001306320225 1068748008 /nfs/dbraw/zinc/74/80/08/1068748008.db2.gz RRGFUERYOLSQSX-HSZRJFAPSA-N 1 0 477.657 3.776 20 30 JHEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](CC)O[C@@H](C)C1)[NH+]1CCOCC1 ZINC001306409942 1068889716 /nfs/dbraw/zinc/88/97/16/1068889716.db2.gz LZPNGFFCZBTORC-BUUDZMLXSA-N 1 0 480.657 3.957 20 30 JHEDRO N#Cc1ccnc(N2CCN(C(=O)Nc3ccc(SCC[NH+]4CCCCC4)cc3)CC2)c1 ZINC001310918321 1069221382 /nfs/dbraw/zinc/22/13/82/1069221382.db2.gz CFSMLMLDQXCPRD-UHFFFAOYSA-N 1 0 450.612 3.885 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nc4c(cc3C#N)CCC4)CC2)c2ccccc21 ZINC001164686826 719677163 /nfs/dbraw/zinc/67/71/63/719677163.db2.gz XEWUTSAFPUAYOX-NRFANRHFSA-N 1 0 457.622 3.535 20 30 JHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1 ZINC001164693532 719813897 /nfs/dbraw/zinc/81/38/97/719813897.db2.gz WCNAYYIMTBWPFO-LJQANCHMSA-N 1 0 476.606 3.810 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc(COc3ccc(CC#N)cc3)cn2)CC1 ZINC001164828399 720340837 /nfs/dbraw/zinc/34/08/37/720340837.db2.gz OQPATNFLQDGFKS-FTJBHMTQSA-N 1 0 473.621 3.638 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cnc(Cl)nc2Oc2ccccc2C#N)CC1 ZINC001164823577 720353185 /nfs/dbraw/zinc/35/31/85/720353185.db2.gz HCYFOLVKHNKBIO-UXHICEINSA-N 1 0 481.000 3.705 20 30 JHEDRO Cc1ccc2nc(N3CC[C@H]4[C@@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c(C#N)c(Cl)c2c1 ZINC001164826064 720356550 /nfs/dbraw/zinc/35/65/50/720356550.db2.gz KDAVSPODCUXGCC-VXKWHMMOSA-N 1 0 452.002 3.980 20 30 JHEDRO Cc1ccc2nc(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c(C#N)c(Cl)c2c1 ZINC001164826058 720356686 /nfs/dbraw/zinc/35/66/86/720356686.db2.gz KDAVSPODCUXGCC-FGZHOGPDSA-N 1 0 452.002 3.980 20 30 JHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)cc1F ZINC001164730451 720567847 /nfs/dbraw/zinc/56/78/47/720567847.db2.gz VVUPFMIMZYWKOJ-UHFFFAOYSA-N 1 0 451.937 3.663 20 30 JHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164836407 720713549 /nfs/dbraw/zinc/71/35/49/720713549.db2.gz ABYMWQGDZZYLIC-FCHUYYIVSA-N 1 0 485.588 3.670 20 30 JHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748835 720858294 /nfs/dbraw/zinc/85/82/94/720858294.db2.gz MLKRISOFPJBEMV-PWRODBHTSA-N 1 0 490.999 3.765 20 30 JHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc1F ZINC001164862756 721095232 /nfs/dbraw/zinc/09/52/32/721095232.db2.gz ABXNAPCPHAOKNO-RTBURBONSA-N 1 0 464.932 3.682 20 30 JHEDRO N#CCc1ccc(OCc2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2)cc1 ZINC001164881142 721152964 /nfs/dbraw/zinc/15/29/64/721152964.db2.gz ZGZWTMWHLFANCR-AHWVRZQESA-N 1 0 455.562 3.601 20 30 JHEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3c(C#N)cnc4cnc(Cl)cc43)C2)C1 ZINC001164776609 721338434 /nfs/dbraw/zinc/33/84/34/721338434.db2.gz GUMJWDUZUWYUCF-DEOSSOPVSA-N 1 0 466.973 3.879 20 30 JHEDRO Cc1ccc2nc(N3CC[C@@]4(C3)CCC[C@H](C[NH+]3CCN(C)CC3)O4)c(C#N)c(Cl)c2c1 ZINC001164889121 721454024 /nfs/dbraw/zinc/45/40/24/721454024.db2.gz NQVVGHQGGVOAOG-KBMIEXCESA-N 1 0 454.018 3.834 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)c(C#N)c1)CC2 ZINC001164783691 721460531 /nfs/dbraw/zinc/46/05/31/721460531.db2.gz FIKKGXLJBWNDFG-FQEVSTJZSA-N 1 0 468.976 3.885 20 30 JHEDRO C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(COc3ccc(CC#N)cc3)cn2)[C@H]2CCCO[C@H]12 ZINC001164801084 721580360 /nfs/dbraw/zinc/58/03/60/721580360.db2.gz DPNMBUKOKXVAGC-REUBFRLUSA-N 1 0 469.589 3.990 20 30 JHEDRO N#CC1(c2ccc(N3CCC(F)(F)[C@]4(CC[N@H+](Cc5ccccn5)C4)C3)nc2)CCOCC1 ZINC001164906663 721721728 /nfs/dbraw/zinc/72/17/28/721721728.db2.gz NQGCMPHMLHHHQH-DEOSSOPVSA-N 1 0 453.537 3.786 20 30 JHEDRO 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 721827950 /nfs/dbraw/zinc/82/79/50/721827950.db2.gz VCIFLIJBZDITIL-RYFAJOAYSA-N 1 0 462.598 3.557 20 30 JHEDRO 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 721828275 /nfs/dbraw/zinc/82/82/75/721828275.db2.gz VCIFLIJBZDITIL-FVTFTPSCSA-N 1 0 462.598 3.557 20 30 JHEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC2(CC1)C[N@H+](Cc1ccc(C)cc1)CCO2 ZINC001164938704 721931207 /nfs/dbraw/zinc/93/12/07/721931207.db2.gz FAWUTMZJHATOOK-QFIPXVFZSA-N 1 0 485.588 3.590 20 30 JHEDRO Cc1ccc([C@H](C#N)c2ccc(N3CC[C@@H]4C[N@H+](Cc5cccnc5)CCO[C@H]4C3)nn2)cc1 ZINC001164984285 722102561 /nfs/dbraw/zinc/10/25/61/722102561.db2.gz SBROEIYUKBPFNQ-USZFVNFHSA-N 1 0 454.578 3.563 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001306682771 1069414768 /nfs/dbraw/zinc/41/47/68/1069414768.db2.gz NNKXYJJKVGSUNV-HXUWFJFHSA-N 1 0 481.645 3.994 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2ccc(C)o2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001306682976 1069415377 /nfs/dbraw/zinc/41/53/77/1069415377.db2.gz RVFURBNWQAEUIN-UHFFFAOYSA-N 1 0 461.614 3.772 20 30 JHEDRO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC001311729144 1069524561 /nfs/dbraw/zinc/52/45/61/1069524561.db2.gz ZDZYQLKULVUHHS-YADHBBJMSA-N 1 0 455.603 3.621 20 30 JHEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC001311852830 1069580402 /nfs/dbraw/zinc/58/04/02/1069580402.db2.gz XIOJFUAZGLCLSK-FQEVSTJZSA-N 1 0 450.583 3.950 20 30 JHEDRO CCC[N@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cc(C)cn2)CC1 ZINC001306807257 1069621728 /nfs/dbraw/zinc/62/17/28/1069621728.db2.gz QNNNOGWDGHFSAJ-UHFFFAOYSA-N 1 0 460.630 3.970 20 30 JHEDRO CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](CC(C)C)[NH+](C)C)cc1OC ZINC001314176391 1069706325 /nfs/dbraw/zinc/70/63/25/1069706325.db2.gz KIEFNZIVRPTACX-CYFREDJKSA-N 1 0 458.582 3.771 20 30 JHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC001307037697 1069758879 /nfs/dbraw/zinc/75/88/79/1069758879.db2.gz FROAGTXENFCXTJ-IFMALSPDSA-N 1 0 493.656 3.994 20 30 JHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(C#N)C2)C1 ZINC001307037938 1069759785 /nfs/dbraw/zinc/75/97/85/1069759785.db2.gz XSIUGYLSPQWKDE-NLFFAJNJSA-N 1 0 484.048 3.723 20 30 JHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC001307037991 1069759984 /nfs/dbraw/zinc/75/99/84/1069759984.db2.gz HLIMBXHEFHVWJV-FCHUYYIVSA-N 1 0 493.656 3.900 20 30 JHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001307039803 1069765021 /nfs/dbraw/zinc/76/50/21/1069765021.db2.gz SUJWWRNCLYMVBH-IFMALSPDSA-N 1 0 479.629 3.652 20 30 JHEDRO CCC[NH+]1CCC(N(C)c2nnc(CCc3ccc(OC)cc3)n2Cc2ccc(C#N)o2)CC1 ZINC001307052636 1069809019 /nfs/dbraw/zinc/80/90/19/1069809019.db2.gz BBDRYINOHIZIIT-UHFFFAOYSA-N 1 0 462.598 3.895 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001307057073 1069832176 /nfs/dbraw/zinc/83/21/76/1069832176.db2.gz VJTLHGJYPBGTQK-DNQXCXABSA-N 1 0 466.630 3.711 20 30 JHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCC(N)=O)CC1 ZINC001307057511 1069835129 /nfs/dbraw/zinc/83/51/29/1069835129.db2.gz WAJQSYXMSDMBAZ-QHCPKHFHSA-N 1 0 463.630 3.563 20 30 JHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccccc2OCC)nnc1N1CC[C@](F)(C#N)C1 ZINC001307067595 1069878270 /nfs/dbraw/zinc/87/82/70/1069878270.db2.gz LYVGFMRKOBQAID-CPJSRVTESA-N 1 0 470.593 3.962 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccccc2OCC)nnc1N1CC[C@](F)(C#N)C1 ZINC001307067597 1069878421 /nfs/dbraw/zinc/87/84/21/1069878421.db2.gz LYVGFMRKOBQAID-NLFFAJNJSA-N 1 0 470.593 3.962 20 30 JHEDRO CCN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001312484853 1069964622 /nfs/dbraw/zinc/96/46/22/1069964622.db2.gz CRYMZPYQESLEQT-KSNOWIBYSA-N 1 0 459.594 3.921 20 30 JHEDRO CC(C)(C)OC(=O)N1CCCC[C@H](C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 ZINC001307542476 1070043609 /nfs/dbraw/zinc/04/36/09/1070043609.db2.gz YWDUTKWAOSGWJQ-GOSISDBHSA-N 1 0 455.559 3.965 20 30 JHEDRO C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001312841089 1070150454 /nfs/dbraw/zinc/15/04/54/1070150454.db2.gz ZNONNFOMHHBQLX-BJKOFHAPSA-N 1 0 465.569 3.780 20 30 JHEDRO CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC001314409557 1070273577 /nfs/dbraw/zinc/27/35/77/1070273577.db2.gz RJYSHSXPCIHAEQ-SEIBCYHCSA-N 1 0 466.630 3.775 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 ZINC001313446350 1070362209 /nfs/dbraw/zinc/36/22/09/1070362209.db2.gz BBRBFWHUSYPYGF-IBGZPJMESA-N 1 0 462.520 3.585 20 30 JHEDRO C=CCC1([NH2+]Cc2cc(Br)c(OCC(=O)N(C)C)c(OCC)c2)CCOCC1 ZINC001308458251 1070378075 /nfs/dbraw/zinc/37/80/75/1070378075.db2.gz ODPSMAOUPZXALE-UHFFFAOYSA-N 1 0 455.393 3.530 20 30 JHEDRO C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001308686943 1070418428 /nfs/dbraw/zinc/41/84/28/1070418428.db2.gz RWQKFRRBYBKWDM-FOIQADDNSA-N 1 0 455.356 3.823 20 30 JHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001309064972 1070518227 /nfs/dbraw/zinc/51/82/27/1070518227.db2.gz VFXDLQAAPWLRMY-UHFFFAOYSA-N 1 0 457.339 3.526 20 30 JHEDRO C[NH+](C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[C@H](C(F)(F)F)C2)CCOCC1 ZINC001314657993 1070778286 /nfs/dbraw/zinc/77/82/86/1070778286.db2.gz NCYSZOQEWQDMBP-IBGZPJMESA-N 1 0 492.546 3.618 20 30 JHEDRO C[NH+](C)[C@@]1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@](C)(C#N)C2)CCSC1 ZINC001314659141 1070780665 /nfs/dbraw/zinc/78/06/65/1070780665.db2.gz MGJPMJMQCHLTRK-DHIUTWEWSA-N 1 0 460.598 3.714 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(F)cc2Br)nnc1N1CC[C@](F)(C#N)C1 ZINC001314662471 1070789544 /nfs/dbraw/zinc/78/95/44/1070789544.db2.gz FCYOMNFPPBSIDM-FQEVSTJZSA-N 1 0 467.362 3.876 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCCN(c2ccccc2C#N)CC1 ZINC001314666540 1070799509 /nfs/dbraw/zinc/79/95/09/1070799509.db2.gz XQMHOKIQSPJLIG-UHFFFAOYSA-N 1 0 458.614 3.516 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001313657285 1070855133 /nfs/dbraw/zinc/85/51/33/1070855133.db2.gz KVNLGZNEUIMFGZ-WBVHZDCISA-N 1 0 492.491 3.676 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F ZINC001313659272 1070862510 /nfs/dbraw/zinc/86/25/10/1070862510.db2.gz XMUDROIQNAPJNQ-MRXNPFEDSA-N 1 0 474.535 3.936 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 ZINC001313662184 1070870195 /nfs/dbraw/zinc/87/01/95/1070870195.db2.gz PFMBIZBRIKGDED-NFBKMPQASA-N 1 0 460.630 3.740 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 ZINC001313669161 1070894382 /nfs/dbraw/zinc/89/43/82/1070894382.db2.gz STBNGEXKRXBQBX-BSRJHKFKSA-N 1 0 463.602 3.522 20 30 JHEDRO C#CCC1(NS(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)CCOCC1 ZINC001309871581 1071001259 /nfs/dbraw/zinc/00/12/59/1071001259.db2.gz JDMXPQGZZGFVAB-BJKOFHAPSA-N 1 0 473.038 3.800 20 30 JHEDRO CC[NH+](CC)CCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)C[C@@H](C)C#N ZINC001313717589 1071017534 /nfs/dbraw/zinc/01/75/34/1071017534.db2.gz FUQNWTDQTODTGV-IBGZPJMESA-N 1 0 461.655 3.720 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(CC(C)C)nnc1N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC001313723616 1071028802 /nfs/dbraw/zinc/02/88/02/1071028802.db2.gz IQINQTJCZMMDDA-LJQANCHMSA-N 1 0 480.617 3.653 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nccs2)C1 ZINC001313722411 1071026695 /nfs/dbraw/zinc/02/66/95/1071026695.db2.gz YYUYFIYAKWJVRP-XLIONFOSSA-N 1 0 451.600 3.581 20 30 JHEDRO CN(Cc1nccs1)c1nnc(COc2ccc(C#N)cc2)n1CCC[NH+]1CCCCC1 ZINC001314777570 1071050497 /nfs/dbraw/zinc/05/04/97/1071050497.db2.gz OSOVOVNAQPUGOZ-UHFFFAOYSA-N 1 0 451.600 3.698 20 30 JHEDRO CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001313784357 1071154730 /nfs/dbraw/zinc/15/47/30/1071154730.db2.gz VZBZZKZTGJKGLB-DPLHUUCSSA-N 1 0 466.630 3.854 20 30 JHEDRO CC[N@H+](CCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 ZINC001313802368 1071208206 /nfs/dbraw/zinc/20/82/06/1071208206.db2.gz FHIMIHPSKAXSEP-OAQYLSRUSA-N 1 0 477.382 3.642 20 30 JHEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OC)C1)CCC(F)(F)F ZINC001313807476 1071228865 /nfs/dbraw/zinc/22/88/65/1071228865.db2.gz OSPDKAQYGHUUSR-LJQANCHMSA-N 1 0 450.509 3.706 20 30 JHEDRO C[N@H+](CCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C)Cc1ccccc1 ZINC001314856451 1071239214 /nfs/dbraw/zinc/23/92/14/1071239214.db2.gz XNXRBGPJUAEFGJ-UHFFFAOYSA-N 1 0 472.641 3.691 20 30 JHEDRO C[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)C1CCCC1 ZINC001314862945 1071258091 /nfs/dbraw/zinc/25/80/91/1071258091.db2.gz YUSBADIPKZXAQE-UHFFFAOYSA-N 1 0 479.629 3.748 20 30 JHEDRO CC[N@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@@H](C)C1)CCC(F)(F)F ZINC001313820979 1071280416 /nfs/dbraw/zinc/28/04/16/1071280416.db2.gz ZLXZCRXPBXKGCJ-SFHVURJKSA-N 1 0 480.535 3.618 20 30 JHEDRO CC[N@H+](CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@](F)(C#N)C1)CCC(F)(F)F ZINC001313822597 1071285926 /nfs/dbraw/zinc/28/59/26/1071285926.db2.gz SJWZRRAVPLTXQG-OAQYLSRUSA-N 1 0 468.499 3.882 20 30 JHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 ZINC001314928613 1071371395 /nfs/dbraw/zinc/37/13/95/1071371395.db2.gz NKJRLEYDGOQOFI-RTBURBONSA-N 1 0 462.520 3.705 20 30 JHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)C[C@@H]1C ZINC001313864124 1071385326 /nfs/dbraw/zinc/38/53/26/1071385326.db2.gz XGBDFRXACBWORB-PMACEKPBSA-N 1 0 463.630 3.527 20 30 JHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313869027 1071407412 /nfs/dbraw/zinc/40/74/12/1071407412.db2.gz PLUUHPGBNHISLH-ZWKOTPCHSA-N 1 0 463.552 3.620 20 30 JHEDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CC[C@@](F)(C#N)C2)C1 ZINC001313886039 1071468241 /nfs/dbraw/zinc/46/82/41/1071468241.db2.gz LBNQBWUWGQHLLY-HOYKHHGWSA-N 1 0 456.566 3.525 20 30 JHEDRO CC[NH+]1CCN([C@@H](C)Cn2c(-c3cc(C)n(-c4ccccc4)c3C)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001313922502 1071564372 /nfs/dbraw/zinc/56/43/72/1071564372.db2.gz WTRXMHHYLHNROM-GMAHTHKFSA-N 1 0 488.684 3.975 20 30 JHEDRO COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC001315076831 1071587953 /nfs/dbraw/zinc/58/79/53/1071587953.db2.gz GUDDKPZGWNGCJR-NZQKXSOJSA-N 1 0 464.614 3.718 20 30 JHEDRO CC[NH+]1CCN(c2ccc(Cn3c(CC(C)(C)C)nnc3N3CCC[C@@](C)(C#N)C3)cn2)CC1 ZINC001313931171 1071590952 /nfs/dbraw/zinc/59/09/52/1071590952.db2.gz BEGHRLDUGONIHL-SANMLTNESA-N 1 0 464.662 3.582 20 30 JHEDRO CCN1CC[NH+](CCCCn2c(Cc3ccccc3C)nnc2N2CCC[C@@](C)(C#N)C2)CC1 ZINC001313954400 1071651240 /nfs/dbraw/zinc/65/12/40/1071651240.db2.gz PXZLEDUKGXOJAN-MHZLTWQESA-N 1 0 463.674 3.725 20 30 JHEDRO CCN1CC[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313955003 1071653720 /nfs/dbraw/zinc/65/37/20/1071653720.db2.gz ROFITMMTXMFHNI-NDEPHWFRSA-N 1 0 493.700 3.876 20 30 JHEDRO CCN1CC[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001313957202 1071659493 /nfs/dbraw/zinc/65/94/93/1071659493.db2.gz DZJGQVXHFDOYGY-UHFFFAOYSA-N 1 0 475.563 3.623 20 30 JHEDRO CCN1CC[NH+](CCCn2c(-c3ccc(C#N)cc3)nnc2N(Cc2ccco2)C(C)C)CC1 ZINC001313958062 1071663113 /nfs/dbraw/zinc/66/31/13/1071663113.db2.gz OIETWZKJUIUIHN-UHFFFAOYSA-N 1 0 461.614 3.852 20 30 JHEDRO CCc1ccc([C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)[NH+](C)C)cc1 ZINC001305922059 1068217575 /nfs/dbraw/zinc/21/75/75/1068217575.db2.gz YUEWCAZGNBQDIS-OLKYXYMISA-N 1 0 480.657 3.791 20 30 JHEDRO CCc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)cc1 ZINC001305938737 1068245124 /nfs/dbraw/zinc/24/51/24/1068245124.db2.gz BPMDABFJJCEAJH-AJTFRIOCSA-N 1 0 463.674 3.911 20 30 JHEDRO CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001305990681 1068351034 /nfs/dbraw/zinc/35/10/34/1068351034.db2.gz ZABJHOMDSFDEQI-RBBKRZOGSA-N 1 0 466.630 3.659 20 30 JHEDRO CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC001305990670 1068351076 /nfs/dbraw/zinc/35/10/76/1068351076.db2.gz ZABJHOMDSFDEQI-IFMALSPDSA-N 1 0 466.630 3.659 20 30 JHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCCOC)C1 ZINC001306320862 1068750245 /nfs/dbraw/zinc/75/02/45/1068750245.db2.gz YAQZZEYGNDLPOI-ZEQRLZLVSA-N 1 0 466.630 3.713 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001306325815 1068763069 /nfs/dbraw/zinc/76/30/69/1068763069.db2.gz VMCQMIJPTGHCIC-BWKNWUBXSA-N 1 0 458.651 3.713 20 30 JHEDRO CC(C)(C)c1cc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)n(-c2ccc(C#N)cc2)n1 ZINC001310722302 1069133841 /nfs/dbraw/zinc/13/38/41/1069133841.db2.gz LEAZUKCLUVUYEN-UHFFFAOYSA-N 1 0 450.587 3.618 20 30 JHEDRO CCOC(=O)c1c(NC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)[NH+](C)C)c(C#N)cn1CC ZINC001310893323 1069212146 /nfs/dbraw/zinc/21/21/46/1069212146.db2.gz LLTSOOUNNJHOOV-FQEVSTJZSA-N 1 0 455.559 3.768 20 30 JHEDRO COc1cc(NC(=O)NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c(F)cc1C#N ZINC001311032807 1069252276 /nfs/dbraw/zinc/25/22/76/1069252276.db2.gz DYHNWPUTSSOAKT-UHFFFAOYSA-N 1 0 456.518 3.517 20 30 JHEDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@H]1CN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)C2 ZINC001164617806 719007109 /nfs/dbraw/zinc/00/71/09/719007109.db2.gz PYRQMGIHLZHRLJ-QRWLVFNGSA-N 1 0 473.351 3.954 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(Cl)ncc3C#N)CC2)c2ccccc21 ZINC001164685176 719658266 /nfs/dbraw/zinc/65/82/66/719658266.db2.gz YLGPICUZRVPYMF-GOSISDBHSA-N 1 0 452.002 3.700 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(Cl)c(C#N)n3)CC2)c2ccccc21 ZINC001164681942 719659607 /nfs/dbraw/zinc/65/96/07/719659607.db2.gz SKVKJKWGWJFEST-SFHVURJKSA-N 1 0 452.002 3.700 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3nccc(Cl)c3C#N)CC2)c2ccccc21 ZINC001164680805 719662689 /nfs/dbraw/zinc/66/26/89/719662689.db2.gz IURIRXZXFKROJM-SFHVURJKSA-N 1 0 452.002 3.700 20 30 JHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(F)c(C#N)cc1-c1ccnc(Cl)n1)C2 ZINC001164807890 720122148 /nfs/dbraw/zinc/12/21/48/720122148.db2.gz CTUKEYVYPASZNG-MHECFPHRSA-N 1 0 455.965 3.992 20 30 JHEDRO COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C3(C#N)CCOCC3)cn1)CC2 ZINC001164714744 720136516 /nfs/dbraw/zinc/13/65/16/720136516.db2.gz YMGPAURZBFAHIU-DEOSSOPVSA-N 1 0 461.610 3.556 20 30 JHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCc4c(nnn4C)[C@@H]3COCC[NH+]3CCCC3)c12 ZINC001164716404 720209737 /nfs/dbraw/zinc/20/97/37/720209737.db2.gz CJPRKTNIEHMBAN-FQEVSTJZSA-N 1 0 483.979 3.552 20 30 JHEDRO 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 720563250 /nfs/dbraw/zinc/56/32/50/720563250.db2.gz BELSVKUXUPEVFE-JTDSTZFVSA-N 1 0 464.948 3.734 20 30 JHEDRO N#Cc1ccc(Cl)nc1C(F)(F)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164845210 720742524 /nfs/dbraw/zinc/74/25/24/720742524.db2.gz XEEITRKAJHPEAG-UHFFFAOYSA-N 1 0 455.900 3.509 20 30 JHEDRO N#Cc1cc(Cl)nc(C(F)(F)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)c1 ZINC001164843077 720742822 /nfs/dbraw/zinc/74/28/22/720742822.db2.gz HVOTYDMYASHLRF-UHFFFAOYSA-N 1 0 455.900 3.509 20 30 JHEDRO 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 721173413 /nfs/dbraw/zinc/17/34/13/721173413.db2.gz CVEGCLSWCNPXJE-YADHBBJMSA-N 1 0 492.744 3.987 20 30 JHEDRO Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3c(C#N)cnc4cnc(Cl)cc43)C2)C1 ZINC001164776610 721338405 /nfs/dbraw/zinc/33/84/05/721338405.db2.gz GUMJWDUZUWYUCF-XMMPIXPASA-N 1 0 466.973 3.879 20 30 JHEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)c4C#N)C3)O2)CC1 ZINC001164885603 721384368 /nfs/dbraw/zinc/38/43/68/721384368.db2.gz CVFMLMPMAOLBJX-FOIQADDNSA-N 1 0 474.383 3.570 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)ncc1C#N)CC2 ZINC001164788611 721461055 /nfs/dbraw/zinc/46/10/55/721461055.db2.gz URUFVXAUSXLYDI-IBGZPJMESA-N 1 0 468.976 3.885 20 30 JHEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cnc(Cl)c(-c4ccc(C#N)cc4)c2)CC3)CC1 ZINC001164796491 721522822 /nfs/dbraw/zinc/52/28/22/721522822.db2.gz ZHKLJNOISZTPQH-UHFFFAOYSA-N 1 0 497.981 3.783 20 30 JHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@@H]2C1 ZINC001165028272 721824280 /nfs/dbraw/zinc/82/42/80/721824280.db2.gz VBFYNKGIXUBCHV-RPLOAYLJSA-N 1 0 470.577 3.542 20 30 JHEDRO Cc1nc(C#Cc2ccnc(N3CC[C@@H]4[C@@H]3CCN4CC[NH+](C)C)c2)c(C)n1-c1ccc(F)cc1 ZINC001164928087 721863626 /nfs/dbraw/zinc/86/36/26/721863626.db2.gz XTZAUAXBZXLCJX-SXOMAYOGSA-N 1 0 472.612 3.638 20 30 JHEDRO Cc1ccc([C@@H](C#N)c2ccc(N3CCC4(CC3)COCC[N@H+](Cc3ccncc3)C4)nn2)cc1 ZINC001164960534 722053184 /nfs/dbraw/zinc/05/31/84/722053184.db2.gz RPAWNKRDZGFAJK-RUZDIDTESA-N 1 0 468.605 3.955 20 30 JHEDRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001306662555 1069383956 /nfs/dbraw/zinc/38/39/56/1069383956.db2.gz UMLGKWKYHLPYSQ-NRFANRHFSA-N 1 0 477.657 3.776 20 30 JHEDRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 ZINC001306680478 1069407664 /nfs/dbraw/zinc/40/76/64/1069407664.db2.gz OUDXJCPYAGYVME-SANMLTNESA-N 1 0 466.630 3.571 20 30 JHEDRO CCCC[N@H+](C)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 ZINC001306680476 1069407784 /nfs/dbraw/zinc/40/77/84/1069407784.db2.gz OUDXJCPYAGYVME-AREMUKBSSA-N 1 0 466.630 3.571 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001306682972 1069415211 /nfs/dbraw/zinc/41/52/11/1069415211.db2.gz RTKKZDOCYNSNEV-UHFFFAOYSA-N 1 0 472.641 3.833 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C#N ZINC001306723638 1069464075 /nfs/dbraw/zinc/46/40/75/1069464075.db2.gz TWRMWJUMBDXDIA-FPOVZHCZSA-N 1 0 452.603 3.967 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 ZINC001306724128 1069464834 /nfs/dbraw/zinc/46/48/34/1069464834.db2.gz WJXHHADTISJCOD-NOZRDPDXSA-N 1 0 477.657 3.776 20 30 JHEDRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001306739019 1069510984 /nfs/dbraw/zinc/51/09/84/1069510984.db2.gz VZOPTWDQVCVFFM-HSZRJFAPSA-N 1 0 477.657 3.824 20 30 JHEDRO CCC[NH+](CCC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 ZINC001307005454 1069700933 /nfs/dbraw/zinc/70/09/33/1069700933.db2.gz VZDJULAQLZCUAS-UHFFFAOYSA-N 1 0 494.688 3.959 20 30 JHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC001307037701 1069759114 /nfs/dbraw/zinc/75/91/14/1069759114.db2.gz FROAGTXENFCXTJ-RBBKRZOGSA-N 1 0 493.656 3.994 20 30 JHEDRO CCOc1ccc(O[C@H](C)c2nnc(N3CCC(C#N)CC3)n2CC[N@H+]2CC=CCC2)cc1 ZINC001314196551 1069775612 /nfs/dbraw/zinc/77/56/12/1069775612.db2.gz ZVTCCVBAJDJWSA-HXUWFJFHSA-N 1 0 450.587 3.819 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 ZINC001307057252 1069833551 /nfs/dbraw/zinc/83/35/51/1069833551.db2.gz XFDBLKCBNWSZAA-ZCNNSNEGSA-N 1 0 456.566 3.550 20 30 JHEDRO CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCC[N@@H+]2CCC)CC1=O ZINC001307062701 1069860158 /nfs/dbraw/zinc/86/01/58/1069860158.db2.gz UTMDOJPZIQHFCF-HSZRJFAPSA-N 1 0 463.630 3.530 20 30 JHEDRO CCOC1CC(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)C1 ZINC001314237704 1069936080 /nfs/dbraw/zinc/93/60/80/1069936080.db2.gz FVZBGPGIHHWWRW-ZZOCVYOHSA-N 1 0 466.630 3.853 20 30 JHEDRO CCN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001312484854 1069964280 /nfs/dbraw/zinc/96/42/80/1069964280.db2.gz CRYMZPYQESLEQT-NIJXNBFTSA-N 1 0 459.594 3.921 20 30 JHEDRO N#Cc1cc2c(n(CC(=O)Nc3cc(Cl)ccc3F)c1=O)CC[N@H+](Cc1ccccc1)C2 ZINC001307373967 1069964679 /nfs/dbraw/zinc/96/46/79/1069964679.db2.gz OLUANVPGJTUZAR-UHFFFAOYSA-N 1 0 450.901 3.709 20 30 JHEDRO CCO[C@@H]1C[C@H](N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@]2([NH+](C)C)CCSC2)C1(C)C ZINC001314246281 1069961926 /nfs/dbraw/zinc/96/19/26/1069961926.db2.gz ABWRFNMRRSZRAD-VVZHRXSXSA-N 1 0 498.697 3.806 20 30 JHEDRO CC[N@H+](C[C@@H](O)COc1ccc(CC#N)cc1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001307530493 1070037338 /nfs/dbraw/zinc/03/73/38/1070037338.db2.gz XOOZFVOGPQZCOZ-HSZRJFAPSA-N 1 0 451.615 3.705 20 30 JHEDRO CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001314277600 1070037922 /nfs/dbraw/zinc/03/79/22/1070037922.db2.gz ZHTIJJRRVXZCBJ-DHIUTWEWSA-N 1 0 466.630 3.854 20 30 JHEDRO CCOC(=O)C[C@](C)([NH2+]CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1)C(C)C ZINC001307712830 1070140432 /nfs/dbraw/zinc/14/04/32/1070140432.db2.gz KKBUDKBLIHDWET-VWLOTQADSA-N 1 0 454.571 3.870 20 30 JHEDRO CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H](C(C)C)[NH+]1CCCC1 ZINC001314348589 1070159118 /nfs/dbraw/zinc/15/91/18/1070159118.db2.gz IDVXLSWUJCUTHK-XMMPIXPASA-N 1 0 466.630 3.854 20 30 JHEDRO C#C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccc(Cl)cc1 ZINC001312938753 1070190187 /nfs/dbraw/zinc/19/01/87/1070190187.db2.gz UHRSSJLTUMVGCD-REWPJTCUSA-N 1 0 452.002 3.653 20 30 JHEDRO CC(C)[N@H+](CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H](C)c1ccsc1 ZINC001307855208 1070212920 /nfs/dbraw/zinc/21/29/20/1070212920.db2.gz PNLRZUSFWYCCSU-KRWDZBQOSA-N 1 0 453.568 3.988 20 30 JHEDRO CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC[C@@H](C)[NH+]1CCCCC1 ZINC001314392451 1070248366 /nfs/dbraw/zinc/24/83/66/1070248366.db2.gz YZZXTKFSZYVSGQ-HXUWFJFHSA-N 1 0 486.064 3.931 20 30 JHEDRO CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCC[N@@H+]1CCC[C@H](C)C1 ZINC001314402421 1070264040 /nfs/dbraw/zinc/26/40/40/1070264040.db2.gz FASJZKAMYMZSAM-XUZZJYLKSA-N 1 0 466.630 3.776 20 30 JHEDRO CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001314441144 1070329916 /nfs/dbraw/zinc/32/99/16/1070329916.db2.gz FBSLXSMUFHCXNO-QZNHQXDQSA-N 1 0 466.630 3.712 20 30 JHEDRO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C#N)o2)C[C@@H]1CC ZINC001314498853 1070425708 /nfs/dbraw/zinc/42/57/08/1070425708.db2.gz SPGZDQOSZPSUCA-WWPVKYPJSA-N 1 0 484.645 3.647 20 30 JHEDRO CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001313478305 1070488661 /nfs/dbraw/zinc/48/86/61/1070488661.db2.gz RTGLASMCBGSDSO-GMAHTHKFSA-N 1 0 477.657 3.824 20 30 JHEDRO CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001313520606 1070586301 /nfs/dbraw/zinc/58/63/01/1070586301.db2.gz DLHMRBPCRZBKAH-DQEYMECFSA-N 1 0 480.657 3.959 20 30 JHEDRO CCN(C(=O)OC(C)(C)C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)[NH+](C)C)CC1 ZINC001313543161 1070639716 /nfs/dbraw/zinc/63/97/16/1070639716.db2.gz VQNQQBURKAQALD-LJQANCHMSA-N 1 0 481.645 3.993 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001314647447 1070749936 /nfs/dbraw/zinc/74/99/36/1070749936.db2.gz BJOXHPXLNDPDOA-YADHBBJMSA-N 1 0 479.629 3.650 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 ZINC001314647445 1070749981 /nfs/dbraw/zinc/74/99/81/1070749981.db2.gz BJOXHPXLNDPDOA-FGZHOGPDSA-N 1 0 479.629 3.650 20 30 JHEDRO C[NH+](C)[C@]1(Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C)(C#N)CC2)CCSC1 ZINC001314658227 1070778988 /nfs/dbraw/zinc/77/89/88/1070778988.db2.gz VNOWFJBKSMKGJN-QHCPKHFHSA-N 1 0 458.607 3.564 20 30 JHEDRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001313654983 1070842043 /nfs/dbraw/zinc/84/20/43/1070842043.db2.gz PZEHAGFEILOCJV-QFIPXVFZSA-N 1 0 492.672 3.523 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 ZINC001313657283 1070854795 /nfs/dbraw/zinc/85/47/95/1070854795.db2.gz KVNLGZNEUIMFGZ-NVXWUHKLSA-N 1 0 492.491 3.676 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 ZINC001313665280 1070879358 /nfs/dbraw/zinc/87/93/58/1070879358.db2.gz QULFZMJQNRUBGX-VXKWHMMOSA-N 1 0 491.596 3.552 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N)c1ccsc1 ZINC001313674375 1070911241 /nfs/dbraw/zinc/91/12/41/1070911241.db2.gz VTIUBOGVCQZKJS-QFBILLFUSA-N 1 0 469.615 3.746 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 ZINC001313675994 1070918818 /nfs/dbraw/zinc/91/88/18/1070918818.db2.gz SQPDWJUWTRNLAV-FCHUYYIVSA-N 1 0 484.601 3.870 20 30 JHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2cccs2)C1 ZINC001313701688 1070981363 /nfs/dbraw/zinc/98/13/63/1070981363.db2.gz JJCQQHHIGLKHOL-CPJSRVTESA-N 1 0 464.639 3.954 20 30 JHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC2CCCCC2)C1 ZINC001313703500 1070986700 /nfs/dbraw/zinc/98/67/00/1070986700.db2.gz XQNTZXNPVIVJIK-JOCHJYFZSA-N 1 0 477.657 3.824 20 30 JHEDRO CC[NH+](CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 ZINC001313713952 1071011409 /nfs/dbraw/zinc/01/14/09/1071011409.db2.gz FXWPXELQYUMLHI-OAQYLSRUSA-N 1 0 462.602 3.699 20 30 JHEDRO CC[NH+](CC)CCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 ZINC001313717620 1071017498 /nfs/dbraw/zinc/01/74/98/1071017498.db2.gz GXYIDMFCJLOBDT-AREMUKBSSA-N 1 0 463.630 3.925 20 30 JHEDRO CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001313750423 1071082144 /nfs/dbraw/zinc/08/21/44/1071082144.db2.gz INTQSWHORWEVCK-NHCUHLMSSA-N 1 0 460.630 3.945 20 30 JHEDRO CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001313783596 1071151235 /nfs/dbraw/zinc/15/12/35/1071151235.db2.gz SVJNKIKDIWTRJI-HFMPRLQTSA-N 1 0 496.656 3.622 20 30 JHEDRO COc1cc(C#N)ccc1Oc1ccc(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC001310237350 1071226946 /nfs/dbraw/zinc/22/69/46/1071226946.db2.gz JGAFLZIDDCQMHP-LJQANCHMSA-N 1 0 450.539 3.982 20 30 JHEDRO C[N@H+](CCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1)Cc1ccc(F)cc1 ZINC001314865184 1071265731 /nfs/dbraw/zinc/26/57/31/1071265731.db2.gz YFIDYWRVZMGANL-UHFFFAOYSA-N 1 0 490.631 3.731 20 30 JHEDRO CN(CCOC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1CC1CC[NH+](C2CC2)CC1 ZINC001314881104 1071304999 /nfs/dbraw/zinc/30/49/99/1071304999.db2.gz VHZBCRRXWODLKN-UHFFFAOYSA-N 1 0 466.630 3.854 20 30 JHEDRO CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001314934498 1071381504 /nfs/dbraw/zinc/38/15/04/1071381504.db2.gz PHMPMPPTQDVEEO-IRLDBZIGSA-N 1 0 477.657 3.680 20 30 JHEDRO 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 1071427897 /nfs/dbraw/zinc/42/78/97/1071427897.db2.gz GUGKZKKMZCTQPV-WOVHNISZSA-N 1 0 468.646 3.835 20 30 JHEDRO CC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(CCC#N)CC1CC1 ZINC001313903947 1071516675 /nfs/dbraw/zinc/51/66/75/1071516675.db2.gz GBRWGEBLGVYWHR-SFTDATJTSA-N 1 0 471.650 3.964 20 30 JHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC001313907984 1071528740 /nfs/dbraw/zinc/52/87/40/1071528740.db2.gz KYXGLDYYYKLZDF-DHIUTWEWSA-N 1 0 477.657 3.822 20 30 JHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 ZINC001313908343 1071529527 /nfs/dbraw/zinc/52/95/27/1071529527.db2.gz MLHXEBIYRYZLHM-DEOSSOPVSA-N 1 0 493.656 3.996 20 30 JHEDRO CC[NH+]1CCN([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CC(CC)(CC)SC)C2)CC1 ZINC001313945845 1071627277 /nfs/dbraw/zinc/62/72/77/1071627277.db2.gz VOBKVYQKZIUVKT-HSZRJFAPSA-N 1 0 481.714 3.955 20 30 JHEDRO CCN1CC[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313955001 1071653688 /nfs/dbraw/zinc/65/36/88/1071653688.db2.gz ROFITMMTXMFHNI-MUUNZHRXSA-N 1 0 493.700 3.876 20 30 JHEDRO CCN1CC[NH+](CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@](F)(C#N)C2)CC1 ZINC001313957001 1071658666 /nfs/dbraw/zinc/65/86/66/1071658666.db2.gz ASTMSOFTTJTODY-SANMLTNESA-N 1 0 467.637 3.712 20 30 JHEDRO CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc2c1=O ZINC001313958446 1071664109 /nfs/dbraw/zinc/66/41/09/1071664109.db2.gz CEAMQLNBCUQFIZ-HBMCJLEFSA-N 1 0 490.656 3.781 20 30 JHEDRO CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2ccccc2C[NH+]2CCCCC2)CCOC1 ZINC001314080867 1071940671 /nfs/dbraw/zinc/94/06/71/1071940671.db2.gz FEIHGAQFZPGOTN-QFQXNSOFSA-N 1 0 466.630 3.560 20 30 JHEDRO CCc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H](C)C[NH+]2CCN(CC)CC2)cc1 ZINC001305938738 1068245232 /nfs/dbraw/zinc/24/52/32/1068245232.db2.gz BPMDABFJJCEAJH-AMGIVPHBSA-N 1 0 463.674 3.911 20 30 JHEDRO CCc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC001305941935 1068252389 /nfs/dbraw/zinc/25/23/89/1068252389.db2.gz UJBNDLWEZCWFFH-BVAGGSTKSA-N 1 0 450.631 3.874 20 30 JHEDRO CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC001305990682 1068350843 /nfs/dbraw/zinc/35/08/43/1068350843.db2.gz ZABJHOMDSFDEQI-UNMCSNQZSA-N 1 0 466.630 3.659 20 30 JHEDRO CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001306195235 1068586692 /nfs/dbraw/zinc/58/66/92/1068586692.db2.gz YWQVRUQTDIZWRP-BGYRXZFFSA-N 1 0 467.637 3.934 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC(C)C)C1 ZINC001306320281 1068748762 /nfs/dbraw/zinc/74/87/62/1068748762.db2.gz SQIGZYKTYBZLCT-RPWUZVMVSA-N 1 0 466.630 3.711 20 30 JHEDRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2CCCCC2)C1 ZINC001306496858 1069043989 /nfs/dbraw/zinc/04/39/89/1069043989.db2.gz ARCQPIAVGTUHMH-QHCPKHFHSA-N 1 0 463.630 3.578 20 30 JHEDRO C[NH+](C)CCN(Cc1ccsc1)C(=O)Nc1ccc(C#N)cc1I ZINC001311208880 1069297482 /nfs/dbraw/zinc/29/74/82/1069297482.db2.gz AYEUCPHIHBFSRR-UHFFFAOYSA-N 1 0 454.337 3.820 20 30 JHEDRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc([C@@H](C#N)c4ccccc4F)nn3)CC2)CC1 ZINC001164616403 719028702 /nfs/dbraw/zinc/02/87/02/719028702.db2.gz CZAVHXRPOGWPHJ-NRFANRHFSA-N 1 0 451.546 3.515 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc4[nH]c(C#N)cc4n3)CC2)c2ccccc21 ZINC001164681467 719676136 /nfs/dbraw/zinc/67/61/36/719676136.db2.gz LBTDSLRVHQJUDT-LJQANCHMSA-N 1 0 456.594 3.528 20 30 JHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1cccc(C#N)c1)C2 ZINC001164811964 720197585 /nfs/dbraw/zinc/19/75/85/720197585.db2.gz KNEATWWWHXYVGW-YADARESESA-N 1 0 453.974 3.979 20 30 JHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CCc4c(nnn4C)[C@H]3COCC[NH+]3CCCC3)c12 ZINC001164716408 720208777 /nfs/dbraw/zinc/20/87/77/720208777.db2.gz CJPRKTNIEHMBAN-HXUWFJFHSA-N 1 0 483.979 3.552 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cnc(Cl)nc2Oc2ccccc2C#N)CC1 ZINC001164823583 720353058 /nfs/dbraw/zinc/35/30/58/720353058.db2.gz HCYFOLVKHNKBIO-WOJBJXKFSA-N 1 0 481.000 3.705 20 30 JHEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)c1C#N ZINC001164744478 720836123 /nfs/dbraw/zinc/83/61/23/720836123.db2.gz KEYDNQQHQRQQAS-QNWVGRARSA-N 1 0 486.649 3.708 20 30 JHEDRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C#N)c4)c3)CC[C@@H]2C1 ZINC001164861979 720892495 /nfs/dbraw/zinc/89/24/95/720892495.db2.gz ZWMZNHKCUDUHCY-KNQAVFIVSA-N 1 0 476.955 3.992 20 30 JHEDRO N#Cc1cc2c(nc1N1CC[C@]3(C1)C[N@H+](CC1CC1)C[C@H]3COCc1cccnc1)CCCC2 ZINC001164752241 720910949 /nfs/dbraw/zinc/91/09/49/720910949.db2.gz NUKVOTDJBIJPCG-LBNVMWSVSA-N 1 0 457.622 3.982 20 30 JHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869971 721048747 /nfs/dbraw/zinc/04/87/47/721048747.db2.gz UVZAWNFPJWIPFA-CABCVRRESA-N 1 0 454.308 3.680 20 30 JHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164869973 721049409 /nfs/dbraw/zinc/04/94/09/721049409.db2.gz UVZAWNFPJWIPFA-GJZGRUSLSA-N 1 0 454.308 3.680 20 30 JHEDRO N#CCc1ccc(OCc2ccc(N3CC[N@@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2)cc1 ZINC001164881146 721151987 /nfs/dbraw/zinc/15/19/87/721151987.db2.gz ZGZWTMWHLFANCR-RSXGOPAZSA-N 1 0 455.562 3.601 20 30 JHEDRO 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 ZINC001164762570 721173504 /nfs/dbraw/zinc/17/35/04/721173504.db2.gz CVEGCLSWCNPXJE-FGZHOGPDSA-N 1 0 492.744 3.987 20 30 JHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868293 721185661 /nfs/dbraw/zinc/18/56/61/721185661.db2.gz LWBVABBQWKKARE-VQTJNVASSA-N 1 0 462.941 3.669 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)c(Cl)cc1C#N)CC2 ZINC001164787764 721460001 /nfs/dbraw/zinc/46/00/01/721460001.db2.gz SBXPDFQITIRJGX-GOSISDBHSA-N 1 0 453.414 3.994 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(-c3ccncc3)ccc1C#N)CC2 ZINC001164787514 721466756 /nfs/dbraw/zinc/46/67/56/721466756.db2.gz GIJAENYNTRSFMJ-DEOSSOPVSA-N 1 0 461.610 3.749 20 30 JHEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(F)(F)c2cnc(Cl)c(-c4cccc(C#N)c4)c2)CC3)CC1 ZINC001164796116 721522395 /nfs/dbraw/zinc/52/23/95/721522395.db2.gz VQPVRELERNKHCS-UHFFFAOYSA-N 1 0 497.981 3.783 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165022228 721839810 /nfs/dbraw/zinc/83/98/10/721839810.db2.gz QKXXBCRKAPYSTF-UHFFFAOYSA-N 1 0 472.973 3.901 20 30 JHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2nccnc2[C@H](C#N)C(=O)OC(C)(C)C)CC1 ZINC001165031169 721844902 /nfs/dbraw/zinc/84/49/02/721844902.db2.gz WDAHLEPBNRTZIY-IBGZPJMESA-N 1 0 481.597 3.543 20 30 JHEDRO Cc1ccc(C[N@@H+]2CCOC3(CCN(c4nccnc4[C@@H](C#N)C(=O)OC(C)(C)C)CC3)C2)cc1 ZINC001164939052 721932377 /nfs/dbraw/zinc/93/23/77/721932377.db2.gz HZHIYFSCGHTRRH-JOCHJYFZSA-N 1 0 477.609 3.605 20 30 JHEDRO CC[NH+](CC)C1CCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccccc2)CC1 ZINC001165053337 722005744 /nfs/dbraw/zinc/00/57/44/722005744.db2.gz NPUZWKAORDFVPC-HSZRJFAPSA-N 1 0 463.607 3.979 20 30 JHEDRO N#Cc1cc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nc2ccc([N+](=O)[O-])cc12 ZINC001164964151 722062103 /nfs/dbraw/zinc/06/21/03/722062103.db2.gz FELMPGKPLPOEID-UHFFFAOYSA-N 1 0 458.522 3.529 20 30 JHEDRO CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(CC)CC)[NH+]2CCOCC2)CCO1 ZINC001306623091 1069313904 /nfs/dbraw/zinc/31/39/04/1069313904.db2.gz POENZOTUZBWJCB-JWQCQUIFSA-N 1 0 480.657 3.959 20 30 JHEDRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001306664511 1069388663 /nfs/dbraw/zinc/38/86/63/1069388663.db2.gz RHLIMVPQDKWUTF-HXUWFJFHSA-N 1 0 477.657 3.774 20 30 JHEDRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001306739020 1069511029 /nfs/dbraw/zinc/51/10/29/1069511029.db2.gz VZOPTWDQVCVFFM-QHCPKHFHSA-N 1 0 477.657 3.824 20 30 JHEDRO CCC[N@H+](CC)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC001306807010 1069620161 /nfs/dbraw/zinc/62/01/61/1069620161.db2.gz LXQXSXDOEDQAQL-UHFFFAOYSA-N 1 0 496.063 3.571 20 30 JHEDRO N#Cc1cccc([C@H]2CN(C(=O)N[C@@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)CCO2)c1 ZINC001311993183 1069655484 /nfs/dbraw/zinc/65/54/84/1069655484.db2.gz FTLJSJRANGVSGK-FGZHOGPDSA-N 1 0 458.484 3.934 20 30 JHEDRO CCOc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CC2([NH+](C)C)CCC2)cc1OC ZINC001314169893 1069678035 /nfs/dbraw/zinc/67/80/35/1069678035.db2.gz JAAFIZHUPVZGQC-UHFFFAOYSA-N 1 0 452.603 3.967 20 30 JHEDRO CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC001314177827 1069712523 /nfs/dbraw/zinc/71/25/23/1069712523.db2.gz RPZYLDJGBHDVSC-KBMIEXCESA-N 1 0 470.593 3.915 20 30 JHEDRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(C#N)C2)C1 ZINC001307037934 1069759884 /nfs/dbraw/zinc/75/98/84/1069759884.db2.gz XSIUGYLSPQWKDE-CPJSRVTESA-N 1 0 484.048 3.723 20 30 JHEDRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001314194113 1069762899 /nfs/dbraw/zinc/76/28/99/1069762899.db2.gz QSZMTDSQHJUHMF-OFVILXPXSA-N 1 0 496.656 3.914 20 30 JHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3ccc(C#N)cc3)n2CCN(C)C(=O)OC(C)(C)C)CC1 ZINC001307046627 1069785941 /nfs/dbraw/zinc/78/59/41/1069785941.db2.gz XIXMEWUZADSGOP-UHFFFAOYSA-N 1 0 481.645 3.994 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001307056146 1069824815 /nfs/dbraw/zinc/82/48/15/1069824815.db2.gz CERMSLUOIBASSK-NHCUHLMSSA-N 1 0 479.677 3.508 20 30 JHEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 ZINC001312289722 1069841014 /nfs/dbraw/zinc/84/10/14/1069841014.db2.gz HNMLNPAEHUOBTN-FCHUYYIVSA-N 1 0 457.619 3.867 20 30 JHEDRO CCOc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CC1(SC)CC[NH+](C)CC1 ZINC001314219480 1069863414 /nfs/dbraw/zinc/86/34/14/1069863414.db2.gz ZUPCAJAKSBVPMJ-UHFFFAOYSA-N 1 0 484.670 3.823 20 30 JHEDRO COc1ccc(CNC(=O)NCCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)cc1C#N ZINC001312404358 1069912030 /nfs/dbraw/zinc/91/20/30/1069912030.db2.gz JUPXESVRTUOXQR-PMACEKPBSA-N 1 0 450.583 3.575 20 30 JHEDRO 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 1069957098 /nfs/dbraw/zinc/95/70/98/1069957098.db2.gz ONAMCWIBACAXPD-FVTFTPSCSA-N 1 0 455.603 3.612 20 30 JHEDRO CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC001312518235 1069985665 /nfs/dbraw/zinc/98/56/65/1069985665.db2.gz MSFCYNLIBOIMLN-QFIPXVFZSA-N 1 0 455.603 3.565 20 30 JHEDRO COc1ccc([C@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC001307808333 1070193188 /nfs/dbraw/zinc/19/31/88/1070193188.db2.gz WMYFNBMCDZEXFD-IRLDBZIGSA-N 1 0 452.555 3.723 20 30 JHEDRO CCOCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@H](C)[NH+]1CCC(C)CC1 ZINC001314389022 1070240771 /nfs/dbraw/zinc/24/07/71/1070240771.db2.gz GLPYVDOSYVRGGT-HXUWFJFHSA-N 1 0 486.064 3.787 20 30 JHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CC3(CCCC3)OC[C@H]2C[NH+](C)C)c1C#N ZINC001307939142 1070250058 /nfs/dbraw/zinc/25/00/58/1070250058.db2.gz QVFCOOVJBTXVKF-JOCHJYFZSA-N 1 0 455.647 3.996 20 30 JHEDRO CC1(C)CN(CCS(=O)(=O)c2cccc(C#N)c2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC001307967081 1070261983 /nfs/dbraw/zinc/26/19/83/1070261983.db2.gz GXKIQSACHHWDER-VWLOTQADSA-N 1 0 451.636 3.955 20 30 JHEDRO Cn1cc(C[NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)c(-c2ccc(C#N)cc2)n1 ZINC001308408326 1070371895 /nfs/dbraw/zinc/37/18/95/1070371895.db2.gz TVOCHQTVQUPRFK-MRXNPFEDSA-N 1 0 457.347 3.801 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001313448988 1070372957 /nfs/dbraw/zinc/37/29/57/1070372957.db2.gz DVCSKBIDWPOMKP-ZYLNGJIFSA-N 1 0 489.640 3.709 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCC(F)(F)F ZINC001313452269 1070382196 /nfs/dbraw/zinc/38/21/96/1070382196.db2.gz GUJSTRSFQZBWEQ-SFHVURJKSA-N 1 0 450.509 3.992 20 30 JHEDRO CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001313479506 1070491777 /nfs/dbraw/zinc/49/17/77/1070491777.db2.gz VGGVRQYZJNQOOX-JTHBVZDNSA-N 1 0 477.657 3.824 20 30 JHEDRO CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C2CCCCC2)[NH+](C)C)cc1OC ZINC001313506230 1070547122 /nfs/dbraw/zinc/54/71/22/1070547122.db2.gz WGQCLDLRXYJRPE-XZOQPEGZSA-N 1 0 496.656 3.982 20 30 JHEDRO C[NH+](C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](NC(=O)OC(C)(C)C)C2)CCCC1 ZINC001314653371 1070765952 /nfs/dbraw/zinc/76/59/52/1070765952.db2.gz NIKNVCGHEYGPML-NRFANRHFSA-N 1 0 479.629 3.795 20 30 JHEDRO C[NH+](C)C1(Cn2c(-c3ccc(Br)cc3Cl)nnc2N2CCO[C@H](C#N)C2)CCCC1 ZINC001314653323 1070766082 /nfs/dbraw/zinc/76/60/82/1070766082.db2.gz MSHMKVHHWHQKDT-MRXNPFEDSA-N 1 0 493.837 3.964 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001314668019 1070802950 /nfs/dbraw/zinc/80/29/50/1070802950.db2.gz YHABKDNVWWJQKO-JOCHJYFZSA-N 1 0 452.603 3.637 20 30 JHEDRO C[NH+](C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001314669895 1070809740 /nfs/dbraw/zinc/80/97/40/1070809740.db2.gz GESGCFLJBVJEED-UHFFFAOYSA-N 1 0 478.622 3.556 20 30 JHEDRO C[NH+](C)CCCOc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC[C@@](C)(C#N)C2)cc1 ZINC001314670027 1070810663 /nfs/dbraw/zinc/81/06/63/1070810663.db2.gz NEYHGQIPNJWPLG-GJZUVCINSA-N 1 0 466.630 3.681 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)(c2nc(C)no2)CC1 ZINC001313658874 1070860999 /nfs/dbraw/zinc/86/09/99/1070860999.db2.gz DANAUSJOFDVUBT-SFHVURJKSA-N 1 0 462.602 3.797 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC001313659173 1070862485 /nfs/dbraw/zinc/86/24/85/1070862485.db2.gz FRRCCVXIGMWXHI-WOJBJXKFSA-N 1 0 481.645 3.993 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1)c1ccco1 ZINC001313665281 1070879118 /nfs/dbraw/zinc/87/91/18/1070879118.db2.gz QULFZMJQNRUBGX-YADHBBJMSA-N 1 0 491.596 3.552 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N)c1ccsc1 ZINC001313674373 1070911134 /nfs/dbraw/zinc/91/11/34/1070911134.db2.gz VTIUBOGVCQZKJS-APWZRJJASA-N 1 0 469.615 3.746 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1)c1ccsc1 ZINC001313676191 1070918777 /nfs/dbraw/zinc/91/87/77/1070918777.db2.gz XIVUACLBPKZHAK-AVRDEDQJSA-N 1 0 477.638 3.628 20 30 JHEDRO CN(Cc1cc(Cl)ccn1)c1nnc(COc2ccc(C#N)cc2)n1CC[NH+]1CCCC1 ZINC001314722599 1070921922 /nfs/dbraw/zinc/92/19/22/1070921922.db2.gz OAGPSAFCBNMZAB-UHFFFAOYSA-N 1 0 451.962 3.509 20 30 JHEDRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCC2)CC1 ZINC001313693931 1070955905 /nfs/dbraw/zinc/95/59/05/1070955905.db2.gz IJTKICCISLRTTC-UHFFFAOYSA-N 1 0 463.630 3.530 20 30 JHEDRO CC[NH+](CC)Cc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)c1 ZINC001313699602 1070974846 /nfs/dbraw/zinc/97/48/46/1070974846.db2.gz DDTIFGQEDZFZAI-UHFFFAOYSA-N 1 0 463.630 3.534 20 30 JHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)c2cccs2)C1 ZINC001313701690 1070981340 /nfs/dbraw/zinc/98/13/40/1070981340.db2.gz JJCQQHHIGLKHOL-NLFFAJNJSA-N 1 0 464.639 3.954 20 30 JHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)C1 ZINC001313702051 1070982217 /nfs/dbraw/zinc/98/22/17/1070982217.db2.gz LVLPZKBOMYHPLX-WEZXKFLESA-N 1 0 456.660 3.532 20 30 JHEDRO CC[NH+](CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313712423 1071009066 /nfs/dbraw/zinc/00/90/66/1071009066.db2.gz PNNBIUZMAOPAGT-SIKLNZKXSA-N 1 0 481.645 3.898 20 30 JHEDRO CN(Cc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001314754775 1071008365 /nfs/dbraw/zinc/00/83/65/1071008365.db2.gz LCNXIYDZGWMSLZ-QFIPXVFZSA-N 1 0 457.538 3.656 20 30 JHEDRO CC[NH+](CC)CCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001313719309 1071020145 /nfs/dbraw/zinc/02/01/45/1071020145.db2.gz OJFURUTXWICROC-QHCPKHFHSA-N 1 0 469.609 3.589 20 30 JHEDRO CC[NH+](CC)CCOCCn1c(-c2sc3ccccc3c2Cl)nnc1N1CCO[C@@H](C#N)C1 ZINC001313720921 1071022146 /nfs/dbraw/zinc/02/21/46/1071022146.db2.gz UZOYWXNAGNVVBT-KRWDZBQOSA-N 1 0 489.045 3.900 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)C[C@H](C)C#N ZINC001313723773 1071029739 /nfs/dbraw/zinc/02/97/39/1071029739.db2.gz MLZDJGRVSMIIMQ-RTBURBONSA-N 1 0 464.618 3.562 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C2CCOCC2)C1 ZINC001313726493 1071035021 /nfs/dbraw/zinc/03/50/21/1071035021.db2.gz BBGKGXSFLBXNIR-NFBKMPQASA-N 1 0 466.630 3.712 20 30 JHEDRO CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001313783621 1071151263 /nfs/dbraw/zinc/15/12/63/1071151263.db2.gz SVJNKIKDIWTRJI-LGVFNWMJSA-N 1 0 496.656 3.622 20 30 JHEDRO CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[N@@H+](C(C)C)CC1)C(=O)OC(C)(C)C ZINC001313807512 1071228604 /nfs/dbraw/zinc/22/86/04/1071228604.db2.gz PXVSNTYBHVNNSB-UHFFFAOYSA-N 1 0 481.645 3.994 20 30 JHEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)C1CC1 ZINC001313807510 1071228792 /nfs/dbraw/zinc/22/87/92/1071228792.db2.gz PXVADFKLUBWDRJ-JOCHJYFZSA-N 1 0 479.629 3.747 20 30 JHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C2CCCCC2)C[C@H]1C ZINC001313864127 1071385447 /nfs/dbraw/zinc/38/54/47/1071385447.db2.gz XGBDFRXACBWORB-WOJBJXKFSA-N 1 0 463.630 3.527 20 30 JHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2Cl)C[C@@H]1C ZINC001313864956 1071389158 /nfs/dbraw/zinc/38/91/58/1071389158.db2.gz ZSRQEXCQUVTVBW-ROUUACIJSA-N 1 0 465.989 3.863 20 30 JHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccc(C#N)o2)C[C@H]1C ZINC001313868048 1071402520 /nfs/dbraw/zinc/40/25/20/1071402520.db2.gz LXTFRXPNNDHOMD-MOPGFXCFSA-N 1 0 497.644 3.824 20 30 JHEDRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2CC[NH+](CC)CC2)CC1 ZINC001313879825 1071451150 /nfs/dbraw/zinc/45/11/50/1071451150.db2.gz CKYMADBADDVWTP-UHFFFAOYSA-N 1 0 492.672 3.523 20 30 JHEDRO CC[NH+]1CCC(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001313881283 1071454440 /nfs/dbraw/zinc/45/44/40/1071454440.db2.gz IPVFEYJRVDDAQA-XMMPIXPASA-N 1 0 466.630 3.712 20 30 JHEDRO CC[NH+]1CCC(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CNC(=O)C(C)C)C2)CC1 ZINC001313882176 1071457518 /nfs/dbraw/zinc/45/75/18/1071457518.db2.gz WWQSGTARWYDWPU-DEOSSOPVSA-N 1 0 491.684 3.927 20 30 JHEDRO CC[NH+]1CCC(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313882031 1071456659 /nfs/dbraw/zinc/45/66/59/1071456659.db2.gz RXQKYBKQXFVBMV-FQEVSTJZSA-N 1 0 466.630 3.854 20 30 JHEDRO CC[NH+]1CCC(CCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313882033 1071456851 /nfs/dbraw/zinc/45/68/51/1071456851.db2.gz RXQKYBKQXFVBMV-HXUWFJFHSA-N 1 0 466.630 3.854 20 30 JHEDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CC[C@](F)(C#N)C2)C1 ZINC001313886040 1071468364 /nfs/dbraw/zinc/46/83/64/1071468364.db2.gz LBNQBWUWGQHLLY-KOSHJBKYSA-N 1 0 456.566 3.525 20 30 JHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001313892288 1071486964 /nfs/dbraw/zinc/48/69/64/1071486964.db2.gz DIAJLBSXBMGMEN-DFBJGRDBSA-N 1 0 468.602 3.585 20 30 JHEDRO CC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC001313899876 1071508893 /nfs/dbraw/zinc/50/88/93/1071508893.db2.gz KWLAAPXMQPVITJ-GOTSBHOMSA-N 1 0 452.603 3.529 20 30 JHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C)c(Br)c2)nnc1N1CCO[C@@H](C#N)C1 ZINC001313908359 1071529288 /nfs/dbraw/zinc/52/92/88/1071529288.db2.gz MZGKJIUOJFFRJZ-MOPGFXCFSA-N 1 0 473.419 3.619 20 30 JHEDRO CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC001315021030 1071542092 /nfs/dbraw/zinc/54/20/92/1071542092.db2.gz KHYQKGWJCYFXQM-CCLHPLFOSA-N 1 0 477.657 3.680 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313935429 1071606102 /nfs/dbraw/zinc/60/61/02/1071606102.db2.gz ZYIMTKCZSXGMEI-GOSISDBHSA-N 1 0 467.618 3.650 20 30 JHEDRO CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCC[N@@H+]2CCC[C@H](C)C2)c2ccccc2c1=O ZINC001313959177 1071666121 /nfs/dbraw/zinc/66/61/21/1071666121.db2.gz MCZYXVQSCPRUSC-SFTDATJTSA-N 1 0 490.656 3.783 20 30 JHEDRO CCOC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC001314033796 1071814988 /nfs/dbraw/zinc/81/49/88/1071814988.db2.gz PUEPWJMIMFZBHT-VXKWHMMOSA-N 1 0 493.637 3.896 20 30 JHEDRO CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCC[NH+]2CCC(C)CC2)CCOC1 ZINC001314111025 1072005037 /nfs/dbraw/zinc/00/50/37/1072005037.db2.gz FPGNLWVDENPEED-RUZDIDTESA-N 1 0 458.651 3.572 20 30 JHEDRO CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2cccc(C[NH+](CC)CC)c2)CCOC1 ZINC001314120034 1072021899 /nfs/dbraw/zinc/02/18/99/1072021899.db2.gz JNRDILFMWFNZPC-RRPNLBNLSA-N 1 0 480.657 3.950 20 30 JHEDRO CCc1nnc(Cn2c(CC(C)C)nnc2N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)s1 ZINC001306058938 1068495940 /nfs/dbraw/zinc/49/59/40/1068495940.db2.gz NCBVUZNFYSVLND-UHFFFAOYSA-N 1 0 464.643 3.523 20 30 JHEDRO CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccsc1)[NH+](CC)CC ZINC001306244699 1068649229 /nfs/dbraw/zinc/64/92/29/1068649229.db2.gz CTFVASCGUGQVCZ-YADHBBJMSA-N 1 0 477.638 3.676 20 30 JHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cc(C)n(-c3ccccc3Br)c2C)c1C#N ZINC001306286255 1068704300 /nfs/dbraw/zinc/70/43/00/1068704300.db2.gz PRXCLQKPZHBNOV-UHFFFAOYSA-N 1 0 455.360 3.856 20 30 JHEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccnc2Oc2ccc(Br)cc2)c1C#N ZINC001306285649 1068704439 /nfs/dbraw/zinc/70/44/39/1068704439.db2.gz CIUZOWYQDNMLFI-UHFFFAOYSA-N 1 0 455.316 3.635 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OCCOC)C1 ZINC001306320556 1068749438 /nfs/dbraw/zinc/74/94/38/1068749438.db2.gz WLHXHJZXEZYNBG-DNQXCXABSA-N 1 0 466.630 3.713 20 30 JHEDRO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CCS1 ZINC001306405764 1068874258 /nfs/dbraw/zinc/87/42/58/1068874258.db2.gz RMIRNYXPBOTESQ-CNNODRBYSA-N 1 0 454.644 3.648 20 30 JHEDRO 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 ZINC001310557085 1069015869 /nfs/dbraw/zinc/01/58/69/1069015869.db2.gz MTRQNEIHZGEQAT-FUMNGEBKSA-N 1 0 454.596 3.888 20 30 JHEDRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC001306498307 1069049271 /nfs/dbraw/zinc/04/92/71/1069049271.db2.gz OBAHHFMBMGYUAF-YZUZCNPQSA-N 1 0 477.657 3.822 20 30 JHEDRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001306498306 1069049481 /nfs/dbraw/zinc/04/94/81/1069049481.db2.gz OBAHHFMBMGYUAF-PQNGQFLHSA-N 1 0 477.657 3.822 20 30 JHEDRO CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCCC[C@H]2CC)C1 ZINC001306498695 1069050923 /nfs/dbraw/zinc/05/09/23/1069050923.db2.gz KXOQYPDHTDWPGA-BJKOFHAPSA-N 1 0 477.657 3.966 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@@]2(C[NH2+]C[C@@H]2c2ccccc2)C1 ZINC001164624034 719046737 /nfs/dbraw/zinc/04/67/37/719046737.db2.gz NQLDENARPXAYSX-XMSQKQJNSA-N 1 0 460.912 3.912 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)c(C#N)cc3C#N)CC2)c2ccccc21 ZINC001164680803 719668444 /nfs/dbraw/zinc/66/84/44/719668444.db2.gz HRGWOGLNZLXBLP-GOSISDBHSA-N 1 0 477.012 3.572 20 30 JHEDRO Cc1nc(C[N@@H+]2CCCC23CCN(c2nccnc2[C@@H](C#N)C(=O)OC(C)(C)C)CC3)cs1 ZINC001164691544 719815077 /nfs/dbraw/zinc/81/50/77/719815077.db2.gz GSULCAMRPZZIKO-LJQANCHMSA-N 1 0 468.627 3.825 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cnc(Cl)nc2Oc2ccccc2C#N)CC1 ZINC001164823574 720353041 /nfs/dbraw/zinc/35/30/41/720353041.db2.gz HCYFOLVKHNKBIO-PMACEKPBSA-N 1 0 481.000 3.705 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N([C@@H]1COC2(C1)CC[NH2+]CC2)C(C)(C)C ZINC001164735291 720545465 /nfs/dbraw/zinc/54/54/65/720545465.db2.gz OBCPTLFHDYRQMW-HNNXBMFYSA-N 1 0 470.948 3.844 20 30 JHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1 ZINC001164745316 720858177 /nfs/dbraw/zinc/85/81/77/720858177.db2.gz DBAYMSUBYXASBO-JAXLGGSGSA-N 1 0 490.999 3.765 20 30 JHEDRO N#Cc1cc(F)c(Cl)nc1N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COCc1cccnc1 ZINC001164755885 720870297 /nfs/dbraw/zinc/87/02/97/720870297.db2.gz ZKSAOIHWXQDQOD-HYBUGGRVSA-N 1 0 455.965 3.896 20 30 JHEDRO N#Cc1ccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@@H]4COCc3cccnc3)c2c1 ZINC001164751646 720877861 /nfs/dbraw/zinc/87/78/61/720877861.db2.gz LPVVMTABSYZKEN-KCWPFWIISA-N 1 0 454.578 3.652 20 30 JHEDRO N#Cc1ccc2ncnc(N3CC[C@@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)c2c1 ZINC001164751644 720877904 /nfs/dbraw/zinc/87/79/04/720877904.db2.gz LPVVMTABSYZKEN-HOFKKMOUSA-N 1 0 454.578 3.652 20 30 JHEDRO CSc1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1C#N ZINC001164866742 721109029 /nfs/dbraw/zinc/10/90/29/721109029.db2.gz UTXJQPCFEQWAQB-RTWAWAEBSA-N 1 0 458.591 3.612 20 30 JHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868291 721187447 /nfs/dbraw/zinc/18/74/47/721187447.db2.gz LWBVABBQWKKARE-PMACEKPBSA-N 1 0 462.941 3.669 20 30 JHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164885905 721454048 /nfs/dbraw/zinc/45/40/48/721454048.db2.gz FWGOXPQLOGYHDI-DFBJGRDBSA-N 1 0 454.018 3.834 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC2(C[C@H](COCC3CC3)[N@H+](CCOC)C2)CC1 ZINC001164783928 721455579 /nfs/dbraw/zinc/45/55/79/721455579.db2.gz CXTNEWFWJYXJKB-HXUWFJFHSA-N 1 0 491.032 3.517 20 30 JHEDRO C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nccnc1[C@H](C#N)C(=O)OC(C)(C)C)CC2 ZINC001164795864 721502443 /nfs/dbraw/zinc/50/24/43/721502443.db2.gz MDTUYUXBVRVKOI-NRFANRHFSA-N 1 0 462.598 3.701 20 30 JHEDRO CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164912180 721731333 /nfs/dbraw/zinc/73/13/33/721731333.db2.gz MJVYQRXNDRITBW-NTKDMRAZSA-N 1 0 484.551 3.558 20 30 JHEDRO C[NH+](C)[C@@H]1CCCN(c2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccc(Cl)cc2)C1 ZINC001165037838 721895495 /nfs/dbraw/zinc/89/54/95/721895495.db2.gz ZMRVGRGIVHSDEG-DYESRHJHSA-N 1 0 469.998 3.852 20 30 JHEDRO COC(=O)c1c(C#C[Si](C)(C)C)ccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2 ZINC001164962349 722057838 /nfs/dbraw/zinc/05/78/38/722057838.db2.gz RIEVWWHVQBVDTP-UHFFFAOYSA-N 1 0 492.696 3.611 20 30 JHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2C[N@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982811 722101685 /nfs/dbraw/zinc/10/16/85/722101685.db2.gz PETTULMLBLRXNE-CRAIPNDOSA-N 1 0 468.335 3.927 20 30 JHEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1C#N ZINC001164970979 722128487 /nfs/dbraw/zinc/12/84/87/722128487.db2.gz AZSJYFJKGPBVSD-JTHBVZDNSA-N 1 0 472.618 3.859 20 30 JHEDRO N#CCc1ccc(OCc2ccc(N3CC[C@H]4C[N@H+](Cc5cccnc5)CCO[C@@H]4C3)nc2)cc1 ZINC001164977035 722144258 /nfs/dbraw/zinc/14/42/58/722144258.db2.gz HYJBOYUQPPPJIM-AHKZPQOWSA-N 1 0 469.589 3.849 20 30 JHEDRO C[NH+](C)CCOCc1ncn2c1CN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)CCC2 ZINC001165004815 722258263 /nfs/dbraw/zinc/25/82/63/722258263.db2.gz VFSLPMXLJZFBJC-UHFFFAOYSA-N 1 0 460.916 3.723 20 30 JHEDRO CCCCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001306658643 1069374518 /nfs/dbraw/zinc/37/45/18/1069374518.db2.gz UELCGJZNSPWUDJ-OAQYLSRUSA-N 1 0 477.657 3.824 20 30 JHEDRO C=CCO[C@@H]1CCN(C(=O)NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001311451772 1069384959 /nfs/dbraw/zinc/38/49/59/1069384959.db2.gz HXXZMGTUMBCABI-OAQYLSRUSA-N 1 0 454.537 3.594 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 ZINC001306682922 1069415310 /nfs/dbraw/zinc/41/53/10/1069415310.db2.gz QMLFKOKWFXSAOM-LVXARBLLSA-N 1 0 479.629 3.652 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001306722296 1069459674 /nfs/dbraw/zinc/45/96/74/1069459674.db2.gz GLJCJWLSDXAUJW-ZEQRLZLVSA-N 1 0 463.630 3.576 20 30 JHEDRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC[N@H+](CCC)C2)C1 ZINC001306737285 1069506229 /nfs/dbraw/zinc/50/62/29/1069506229.db2.gz OAIARHJSABFZTL-UPVQGACJSA-N 1 0 477.657 3.681 20 30 JHEDRO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001306737633 1069507234 /nfs/dbraw/zinc/50/72/34/1069507234.db2.gz XNUIWJHEKBKPGF-CTUHWIOQSA-N 1 0 477.657 3.678 20 30 JHEDRO N#Cc1ccc(N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c(F)c1Br ZINC001306945389 1069687303 /nfs/dbraw/zinc/68/73/03/1069687303.db2.gz CFROPDYFAKGCEZ-KRWDZBQOSA-N 1 0 458.379 3.893 20 30 JHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CC#N)CC2)C1 ZINC001307030700 1069739146 /nfs/dbraw/zinc/73/91/46/1069739146.db2.gz AWHMYGFTPNVIFP-QGZVFWFLSA-N 1 0 460.424 3.898 20 30 JHEDRO CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001314200608 1069792770 /nfs/dbraw/zinc/79/27/70/1069792770.db2.gz HVLDVGQCVIKINL-FGCOXFRFSA-N 1 0 482.629 3.666 20 30 JHEDRO CCC[NH+]1CCC(N(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2OCCC2(C)C)CC1 ZINC001307050280 1069800271 /nfs/dbraw/zinc/80/02/71/1069800271.db2.gz CANCTRDTAMDXFN-QHCPKHFHSA-N 1 0 466.630 3.854 20 30 JHEDRO CCCC[N@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 ZINC001312289725 1069840963 /nfs/dbraw/zinc/84/09/63/1069840963.db2.gz HNMLNPAEHUOBTN-YADHBBJMSA-N 1 0 457.619 3.867 20 30 JHEDRO 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 ZINC001314242006 1069946140 /nfs/dbraw/zinc/94/61/40/1069946140.db2.gz FWDSNKWSZQLTTG-WXFUMESZSA-N 1 0 480.657 3.813 20 30 JHEDRO 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 ZINC001312470333 1069957302 /nfs/dbraw/zinc/95/73/02/1069957302.db2.gz ONAMCWIBACAXPD-JKLQHZFJSA-N 1 0 455.603 3.612 20 30 JHEDRO CCN(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001312484851 1069964535 /nfs/dbraw/zinc/96/45/35/1069964535.db2.gz CRYMZPYQESLEQT-BUUDZMLXSA-N 1 0 459.594 3.921 20 30 JHEDRO COc1ccc(C(=O)NCCN2CC[NH+](Cc3ccc(-c4ccccc4C#N)cc3)CC2)cc1 ZINC001307539647 1070042257 /nfs/dbraw/zinc/04/22/57/1070042257.db2.gz PPURRFDMOUPWQT-UHFFFAOYSA-N 1 0 454.574 3.781 20 30 JHEDRO C#Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)cc1 ZINC001307571431 1070057527 /nfs/dbraw/zinc/05/75/27/1070057527.db2.gz IJVSTZPAIYYMDE-KRWDZBQOSA-N 1 0 455.356 3.505 20 30 JHEDRO CCOCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001314288551 1070065924 /nfs/dbraw/zinc/06/59/24/1070065924.db2.gz VOTIGXSRGIUPGG-JOCHJYFZSA-N 1 0 466.630 3.856 20 30 JHEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@@H](O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC001307655002 1070105342 /nfs/dbraw/zinc/10/53/42/1070105342.db2.gz IZXOVJHOVZTKTM-OAQYLSRUSA-N 1 0 454.372 3.891 20 30 JHEDRO C[C@@H]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CN1C(=O)OC(C)(C)C ZINC001312948520 1070194066 /nfs/dbraw/zinc/19/40/66/1070194066.db2.gz WHGMJZRILKSYSJ-XMSQKQJNSA-N 1 0 455.603 3.610 20 30 JHEDRO CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001314405507 1070268228 /nfs/dbraw/zinc/26/82/28/1070268228.db2.gz CZWSAWXBINDCGN-LADGPHEKSA-N 1 0 466.630 3.632 20 30 JHEDRO Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN2CCC3(CC2)CC[NH+](C)CC3)c1C#N ZINC001307988370 1070272322 /nfs/dbraw/zinc/27/23/22/1070272322.db2.gz MENLUMNOLXVCGW-UHFFFAOYSA-N 1 0 451.590 3.910 20 30 JHEDRO N#CCCn1cc(C[NH2+]CCNC(=O)c2cccc(Br)c2)c(-c2ccccc2)n1 ZINC001308263815 1070348170 /nfs/dbraw/zinc/34/81/70/1070348170.db2.gz XAEUXJPQVCZPCT-UHFFFAOYSA-N 1 0 452.356 3.746 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCC[C@](C)(C#N)C1 ZINC001313449658 1070374767 /nfs/dbraw/zinc/37/47/67/1070374767.db2.gz YZTUTARZXZBOGD-RXFWQSSRSA-N 1 0 482.629 3.975 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 ZINC001313453365 1070385392 /nfs/dbraw/zinc/38/53/92/1070385392.db2.gz QOXUAIBTBZEZAY-BVSLBCMMSA-N 1 0 452.603 3.607 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001313453033 1070383816 /nfs/dbraw/zinc/38/38/16/1070383816.db2.gz NWOKUKDRIHFEEJ-NRFANRHFSA-N 1 0 466.630 3.997 20 30 JHEDRO CCCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CC(C)(C)[NH+]2CCCCC2)c2ccccc2c1=O ZINC001313453884 1070387845 /nfs/dbraw/zinc/38/78/45/1070387845.db2.gz XYWGSGZDNSSXTM-HXUWFJFHSA-N 1 0 490.656 3.925 20 30 JHEDRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(F)(F)Br)C[C@H]1CC ZINC001314498123 1070423145 /nfs/dbraw/zinc/42/31/45/1070423145.db2.gz WTYGFVURPXJOPO-GOSISDBHSA-N 1 0 497.388 3.742 20 30 JHEDRO CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001313478303 1070488195 /nfs/dbraw/zinc/48/81/95/1070488195.db2.gz RTGLASMCBGSDSO-FYYLOGMGSA-N 1 0 477.657 3.824 20 30 JHEDRO C[NH+](C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 ZINC001309046293 1070505146 /nfs/dbraw/zinc/50/51/46/1070505146.db2.gz GQODFAPYKZMKSM-UHFFFAOYSA-N 1 0 454.527 3.637 20 30 JHEDRO C[NH+](C)CCN(CCCc1ccccc1)S(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC001309119968 1070550240 /nfs/dbraw/zinc/55/02/40/1070550240.db2.gz URNPNRBNNBTCMH-UHFFFAOYSA-N 1 0 450.402 3.506 20 30 JHEDRO CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001314563564 1070566065 /nfs/dbraw/zinc/56/60/65/1070566065.db2.gz JSGVZELMHHMDTF-BBXSLGCESA-N 1 0 468.671 3.676 20 30 JHEDRO CC[N@H+](C)Cc1cccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@](C)(C#N)C2)c1 ZINC001313574815 1070690379 /nfs/dbraw/zinc/69/03/79/1070690379.db2.gz MVSLPTFVICWJGO-AREMUKBSSA-N 1 0 491.665 3.900 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@](F)(C#N)C1)c1ccco1 ZINC001314652123 1070762450 /nfs/dbraw/zinc/76/24/50/1070762450.db2.gz DHAXQQNVDTWDBG-XMSQKQJNSA-N 1 0 458.925 3.848 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC=C(Br)C1)C1CC1 ZINC001314655654 1070773320 /nfs/dbraw/zinc/77/33/20/1070773320.db2.gz RJODEJVIPWOUKO-FQEVSTJZSA-N 1 0 471.403 3.558 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1)c1cccs1 ZINC001314655851 1070773904 /nfs/dbraw/zinc/77/39/04/1070773904.db2.gz UAZDPWBATJPCFK-IBGZPJMESA-N 1 0 454.625 3.646 20 30 JHEDRO C[NH+](C)[C@]1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@@](C)(C#N)C2)CCSC1 ZINC001314659142 1070780564 /nfs/dbraw/zinc/78/05/64/1070780564.db2.gz MGJPMJMQCHLTRK-GOTSBHOMSA-N 1 0 460.598 3.714 20 30 JHEDRO CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001313639349 1070782069 /nfs/dbraw/zinc/78/20/69/1070782069.db2.gz TZVSRKTZZFPVDT-QHCPKHFHSA-N 1 0 463.630 3.530 20 30 JHEDRO C[NH+](C)CCOCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC(CC#N)CC1 ZINC001314670754 1070812599 /nfs/dbraw/zinc/81/25/99/1070812599.db2.gz NCASGMAHBHKTFY-UHFFFAOYSA-N 1 0 451.402 3.960 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cs2)CC1 ZINC001313660099 1070865003 /nfs/dbraw/zinc/86/50/03/1070865003.db2.gz OGDMIDXCYKULJH-LJQANCHMSA-N 1 0 464.643 3.639 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 ZINC001313664355 1070876638 /nfs/dbraw/zinc/87/66/38/1070876638.db2.gz BFMVPOODQBIVSC-SIKLNZKXSA-N 1 0 495.653 3.802 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 ZINC001313665275 1070879560 /nfs/dbraw/zinc/87/95/60/1070879560.db2.gz QULFZMJQNRUBGX-FCHUYYIVSA-N 1 0 491.596 3.552 20 30 JHEDRO CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314708027 1070880237 /nfs/dbraw/zinc/88/02/37/1070880237.db2.gz ZYRRCUOCHVIIGJ-LJQANCHMSA-N 1 0 465.627 3.532 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 ZINC001313669927 1070895704 /nfs/dbraw/zinc/89/57/04/1070895704.db2.gz GBPOBEATGOXSIJ-IBGZPJMESA-N 1 0 481.645 3.998 20 30 JHEDRO CC[NH+](CC)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(OC)nc2OC)CC1 ZINC001313695524 1070960148 /nfs/dbraw/zinc/96/01/48/1070960148.db2.gz AYTSZTRCICFLRY-UHFFFAOYSA-N 1 0 475.597 3.588 20 30 JHEDRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncccc2C)CC1 ZINC001313697279 1070965772 /nfs/dbraw/zinc/96/57/72/1070965772.db2.gz LGDORVSLJBHTRL-UHFFFAOYSA-N 1 0 459.598 3.791 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nccs2)C1 ZINC001313722412 1071026908 /nfs/dbraw/zinc/02/69/08/1071026908.db2.gz YYUYFIYAKWJVRP-YLJYHZDGSA-N 1 0 451.600 3.581 20 30 JHEDRO CN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)CC(F)(F)F ZINC001314850014 1071214620 /nfs/dbraw/zinc/21/46/20/1071214620.db2.gz UCUSEKRKHCXDEZ-OAQYLSRUSA-N 1 0 475.563 3.766 20 30 JHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1)C(C)C ZINC001313806776 1071225974 /nfs/dbraw/zinc/22/59/74/1071225974.db2.gz XWLDKVZGZMTSED-OAQYLSRUSA-N 1 0 481.645 3.898 20 30 JHEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nc(C)cs2)C1)C(C)C ZINC001313807255 1071227308 /nfs/dbraw/zinc/22/73/08/1071227308.db2.gz IEKGURSLDSRJGN-NRFANRHFSA-N 1 0 465.627 3.890 20 30 JHEDRO CC[N@H+](CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1)C(C)C ZINC001313817291 1071264652 /nfs/dbraw/zinc/26/46/52/1071264652.db2.gz QOJNVWGUVKFDMZ-UHFFFAOYSA-N 1 0 493.059 3.846 20 30 JHEDRO CCn1cc(Cn2c(CC(C)(C)C)nnc2N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)cn1 ZINC001313846111 1071335608 /nfs/dbraw/zinc/33/56/08/1071335608.db2.gz HGIPVHSARQEKIL-UHFFFAOYSA-N 1 0 460.630 3.715 20 30 JHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCOc2ncccc2Cl)C[C@H]1C ZINC001313879381 1071449910 /nfs/dbraw/zinc/44/99/10/1071449910.db2.gz ZOUGEONCFVYQSW-RTBURBONSA-N 1 0 496.015 3.775 20 30 JHEDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3ccc(OC)c(Br)c3)nnc2N2CCC(C#N)CC2)C1 ZINC001313887911 1071474976 /nfs/dbraw/zinc/47/49/76/1071474976.db2.gz YQINONIPBKKOLY-QGZVFWFLSA-N 1 0 473.419 3.798 20 30 JHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(CCC#N)CCC(C)C)C1 ZINC001313893426 1071490105 /nfs/dbraw/zinc/49/01/05/1071490105.db2.gz NZSXEOVFOKOYOG-IBGZPJMESA-N 1 0 462.602 3.702 20 30 JHEDRO CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 ZINC001313929967 1071588081 /nfs/dbraw/zinc/58/80/81/1071588081.db2.gz UMNNLURVSRCDJN-CPJSRVTESA-N 1 0 470.065 3.678 20 30 JHEDRO CCN1CCN(C2CCN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](CC(C)C)[NH+](C)C)CC2)C1=O ZINC001313945342 1071626266 /nfs/dbraw/zinc/62/62/66/1071626266.db2.gz NHKIXVIZCNUFKB-DEOSSOPVSA-N 1 0 492.672 3.519 20 30 JHEDRO CCN1CC[NH+](C[C@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC(C#N)CC2)CC1 ZINC001313952277 1071645056 /nfs/dbraw/zinc/64/50/56/1071645056.db2.gz YSDAHIWRWRZHLF-IBGZPJMESA-N 1 0 486.064 3.621 20 30 JHEDRO CCN1CC[NH+](CCCCn2c(-c3cccc(C#N)c3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313953110 1071647831 /nfs/dbraw/zinc/64/78/31/1071647831.db2.gz GOSPGVMXLVUSSV-UHFFFAOYSA-N 1 0 467.687 3.566 20 30 JHEDRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@@](C)(C#N)C2)CC1 ZINC001313958005 1071662451 /nfs/dbraw/zinc/66/24/51/1071662451.db2.gz MNQXOMPLMOWBGX-DEOSSOPVSA-N 1 0 474.028 3.895 20 30 JHEDRO CCN1CC[NH+](CCCn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313957020 1071658630 /nfs/dbraw/zinc/65/86/30/1071658630.db2.gz BEYMJJLXTYTQDU-UHFFFAOYSA-N 1 0 463.655 3.851 20 30 JHEDRO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001314013379 1071750253 /nfs/dbraw/zinc/75/02/53/1071750253.db2.gz FAGQRPOMNLAKAL-HSZRJFAPSA-N 1 0 479.629 3.748 20 30 JHEDRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](C)[C@@H](C)CC)CC1 ZINC001314013463 1071750599 /nfs/dbraw/zinc/75/05/99/1071750599.db2.gz FXHNDUPJHDTYFD-IBGZPJMESA-N 1 0 467.618 3.604 20 30 JHEDRO CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001314014223 1071753107 /nfs/dbraw/zinc/75/31/07/1071753107.db2.gz NDELBLUJNNSHNG-UHFFFAOYSA-N 1 0 479.629 3.606 20 30 JHEDRO CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC001314030934 1071803853 /nfs/dbraw/zinc/80/38/53/1071803853.db2.gz YSDIFSVUQIZDAB-PTUXOGIPSA-N 1 0 479.629 3.650 20 30 JHEDRO CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001314048194 1071867657 /nfs/dbraw/zinc/86/76/57/1071867657.db2.gz SFRHBLLEBCRUFU-OYRHEFFESA-N 1 0 480.657 3.957 20 30 JHEDRO CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccccc2C[NH+]2CCCCC2)CCOC1 ZINC001314080865 1071940697 /nfs/dbraw/zinc/94/06/97/1071940697.db2.gz FEIHGAQFZPGOTN-HFZDXXHNSA-N 1 0 466.630 3.560 20 30 JHEDRO CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H](C2CCCCC2)[NH+](C)C)CCOC1 ZINC001314084329 1071951522 /nfs/dbraw/zinc/95/15/22/1071951522.db2.gz XAUKRBRZLXOXLI-SHQCIBLASA-N 1 0 480.657 3.949 20 30 JHEDRO CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCOC1 ZINC001314113484 1072009448 /nfs/dbraw/zinc/00/94/48/1072009448.db2.gz PLGNGCSUVZMZEF-UZINWLIJSA-N 1 0 472.678 3.817 20 30 JHEDRO CCc1nc(CCn2c(CC(C)(C)C)nnc2N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)no1 ZINC001306020061 1068409970 /nfs/dbraw/zinc/40/99/70/1068409970.db2.gz DOYIOGXGXWBUQS-UHFFFAOYSA-N 1 0 476.629 3.639 20 30 JHEDRO CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC001306193185 1068583785 /nfs/dbraw/zinc/58/37/85/1068583785.db2.gz KHOKJRJNXREBFS-FQEVSTJZSA-N 1 0 458.614 3.563 20 30 JHEDRO CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001306193287 1068584437 /nfs/dbraw/zinc/58/44/37/1068584437.db2.gz FOHPMHDWTPQHQN-HXUWFJFHSA-N 1 0 453.591 3.542 20 30 JHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001306318010 1068740432 /nfs/dbraw/zinc/74/04/32/1068740432.db2.gz CUXNKGMVPAPYFM-BJKOFHAPSA-N 1 0 466.630 3.711 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 ZINC001306318013 1068740677 /nfs/dbraw/zinc/74/06/77/1068740677.db2.gz CUXNKGMVPAPYFM-DNQXCXABSA-N 1 0 466.630 3.711 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N ZINC001306318502 1068742237 /nfs/dbraw/zinc/74/22/37/1068742237.db2.gz NZUFZASYORCPTP-WIYYLYMNSA-N 1 0 472.037 3.864 20 30 JHEDRO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCS1 ZINC001306405773 1068874545 /nfs/dbraw/zinc/87/45/45/1068874545.db2.gz RMIRNYXPBOTESQ-XQBPLPMBSA-N 1 0 454.644 3.648 20 30 JHEDRO C[N@H+](CCO)CCNC(=O)N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F ZINC001310585281 1069031115 /nfs/dbraw/zinc/03/11/15/1069031115.db2.gz YCJFEQDCGMMDSC-GFCCVEGCSA-N 1 0 455.321 3.551 20 30 JHEDRO CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001306529469 1069165589 /nfs/dbraw/zinc/16/55/89/1069165589.db2.gz JQPITEACUMNESN-RUZDIDTESA-N 1 0 464.639 3.794 20 30 JHEDRO CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001306531211 1069171738 /nfs/dbraw/zinc/17/17/38/1069171738.db2.gz UFGLNSHLHBQHSG-VWLOTQADSA-N 1 0 464.639 3.794 20 30 JHEDRO CSc1nc(-c2ccccc2)nc(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1C#N ZINC001164813318 720229066 /nfs/dbraw/zinc/22/90/66/720229066.db2.gz MRODZHDEUFENIR-UHFFFAOYSA-N 1 0 475.622 3.544 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cnc(Cl)nc2Oc2ccc(C#N)cc2)CC1 ZINC001164825304 720353503 /nfs/dbraw/zinc/35/35/03/720353503.db2.gz JIWZKBRSFIHTCM-SFTDATJTSA-N 1 0 481.000 3.705 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2nc3cc(F)ccc3c(Cl)c2C#N)CC1 ZINC001164825277 720355548 /nfs/dbraw/zinc/35/55/48/720355548.db2.gz JGNBOQAUURTZAU-SFTDATJTSA-N 1 0 455.965 3.810 20 30 JHEDRO N#Cc1ccc(C(F)(F)N2CCn3c(-c4cccnc4)cnc3C23CC[NH2+]CC3)nc1Cl ZINC001164843440 720741727 /nfs/dbraw/zinc/74/17/27/720741727.db2.gz JUTZDTCMNGNCGR-UHFFFAOYSA-N 1 0 455.900 3.509 20 30 JHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164743466 720811662 /nfs/dbraw/zinc/81/16/62/720811662.db2.gz GEQUIMBRCURAFN-HDMKZQKVSA-N 1 0 482.366 3.776 20 30 JHEDRO N#Cc1c(Cl)c2ccc(F)cc2nc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164745433 720860636 /nfs/dbraw/zinc/86/06/36/720860636.db2.gz DLFOIPOQYQXTJR-TVTNDZMWSA-N 1 0 465.964 3.870 20 30 JHEDRO COCC[N@@H+]1CCO[C@H]2CN(C(F)(F)c3cnc(Cl)c(-c4cccc(C#N)c4)c3)CC[C@H]2C1 ZINC001164861983 720892581 /nfs/dbraw/zinc/89/25/81/720892581.db2.gz ZWMZNHKCUDUHCY-UGKGYDQZSA-N 1 0 476.955 3.992 20 30 JHEDRO N#CC1(c2ccc(N3CC[C@]4(C3)C[N@H+](CC3CC3)C[C@H]4COCc3cccnc3)nc2)CCOCC1 ZINC001164753689 720905296 /nfs/dbraw/zinc/90/52/96/720905296.db2.gz SBJBBQZLHXFYDJ-LITSAYRRSA-N 1 0 487.648 3.803 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164858994 720976890 /nfs/dbraw/zinc/97/68/90/720976890.db2.gz JYPGJDFKAZVIAZ-CQSZACIVSA-N 1 0 480.947 3.946 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164858991 720977414 /nfs/dbraw/zinc/97/74/14/720977414.db2.gz JYPGJDFKAZVIAZ-AWEZNQCLSA-N 1 0 480.947 3.946 20 30 JHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164870829 721186326 /nfs/dbraw/zinc/18/63/26/721186326.db2.gz WINJPJJHLBMEQU-TZIWHRDSSA-N 1 0 462.941 3.669 20 30 JHEDRO Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CC3(C2)CC[N@H+](CC2CC2)C3)cc1 ZINC001164770875 721297707 /nfs/dbraw/zinc/29/77/07/721297707.db2.gz WZWWZQWJRATQNC-XMMPIXPASA-N 1 0 487.629 3.899 20 30 JHEDRO CSc1nc(Cl)c(C=NO)c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164907480 721694286 /nfs/dbraw/zinc/69/42/86/721694286.db2.gz UDYPTMQAZJQZFK-LJQANCHMSA-N 1 0 468.961 3.793 20 30 JHEDRO CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(C#C[Si](C)(C)C)ccc2NC(=O)C(C)(C)C)CC1 ZINC001165009439 721742060 /nfs/dbraw/zinc/74/20/60/721742060.db2.gz DEKPGXVDMPKUCA-UHFFFAOYSA-N 1 0 497.760 3.818 20 30 JHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H]2CCC[C@@H]([N@H+](C)Cc3ccccn3)[C@H]2C1 ZINC001165028269 721824309 /nfs/dbraw/zinc/82/43/09/721824309.db2.gz VBFYNKGIXUBCHV-KKMBPYAXSA-N 1 0 470.577 3.542 20 30 JHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)cc1F ZINC001164971963 722121166 /nfs/dbraw/zinc/12/11/66/722121166.db2.gz DZXRZVVWSGSFJJ-KOSHJBKYSA-N 1 0 478.959 3.930 20 30 JHEDRO C=CCO[C@H]1CCN(C(=O)NCCCC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001311451770 1069384995 /nfs/dbraw/zinc/38/49/95/1069384995.db2.gz HXXZMGTUMBCABI-NRFANRHFSA-N 1 0 454.537 3.594 20 30 JHEDRO CCCC[N@H+](C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCSC2)C1 ZINC001306689758 1069427149 /nfs/dbraw/zinc/42/71/49/1069427149.db2.gz YYRGNMFDPVTWDY-DEOSSOPVSA-N 1 0 454.644 3.794 20 30 JHEDRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC[N@H+](CCC)C2)C1 ZINC001306739459 1069511438 /nfs/dbraw/zinc/51/14/38/1069511438.db2.gz YYVIZKNDJHVWDT-UPVQGACJSA-N 1 0 477.657 3.681 20 30 JHEDRO CC[C@@H](C)[NH2+][C@@H](CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccco1 ZINC001306841214 1069654351 /nfs/dbraw/zinc/65/43/51/1069654351.db2.gz ZEJSZIDANWZLID-APWZRJJASA-N 1 0 451.527 3.861 20 30 JHEDRO N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC001311993200 1069655386 /nfs/dbraw/zinc/65/53/86/1069655386.db2.gz FVMMBOXPKGIJSM-OAQYLSRUSA-N 1 0 457.500 3.683 20 30 JHEDRO CCC[NH+](CCC)CCCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 ZINC001307004376 1069699760 /nfs/dbraw/zinc/69/97/60/1069699760.db2.gz BWUJEKUGYDCNJY-GOSISDBHSA-N 1 0 475.435 3.948 20 30 JHEDRO CCC[NH+](CCC)CCCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 ZINC001307004378 1069699792 /nfs/dbraw/zinc/69/97/92/1069699792.db2.gz BWUJEKUGYDCNJY-SFHVURJKSA-N 1 0 475.435 3.948 20 30 JHEDRO CCOc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCN2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC001314175227 1069701082 /nfs/dbraw/zinc/70/10/82/1069701082.db2.gz XZPICUOLIHOTQI-HHHXNRCGSA-N 1 0 495.672 3.508 20 30 JHEDRO CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001314203736 1069809661 /nfs/dbraw/zinc/80/96/61/1069809661.db2.gz SBYGUCLWOCTYGL-TZBSWOFLSA-N 1 0 496.656 3.914 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1C ZINC001307056575 1069828324 /nfs/dbraw/zinc/82/83/24/1069828324.db2.gz BNWXDIZVDBCSLD-HSZRJFAPSA-N 1 0 476.629 3.672 20 30 JHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C ZINC001307056147 1069825181 /nfs/dbraw/zinc/82/51/81/1069825181.db2.gz CERMSLUOIBASSK-RTWAWAEBSA-N 1 0 479.677 3.508 20 30 JHEDRO CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(SC)CC[NH+](C)CC1 ZINC001314220141 1069865431 /nfs/dbraw/zinc/86/54/31/1069865431.db2.gz GZDGBGNEECICFI-HSZRJFAPSA-N 1 0 488.633 3.525 20 30 JHEDRO CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCC[NH+]1CCC(C)CC1 ZINC001314221273 1069870699 /nfs/dbraw/zinc/87/06/99/1069870699.db2.gz WHHRENIDGDEJFV-RUZDIDTESA-N 1 0 470.593 3.820 20 30 JHEDRO CC(C)(C)OC(=O)N1CCCC[C@@H](C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 ZINC001307542477 1070043642 /nfs/dbraw/zinc/04/36/42/1070043642.db2.gz YWDUTKWAOSGWJQ-SFHVURJKSA-N 1 0 455.559 3.965 20 30 JHEDRO COc1ccc(NC(=O)C2([NH2+]CC(=O)Nc3ccc(C#N)c(Cl)c3)CCCC2)cc1OC ZINC001307551245 1070048084 /nfs/dbraw/zinc/04/80/84/1070048084.db2.gz YQZZLBONZQXTOT-UHFFFAOYSA-N 1 0 456.930 3.708 20 30 JHEDRO C#C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1)c1ccc(Cl)cc1 ZINC001312938751 1070190071 /nfs/dbraw/zinc/19/00/71/1070190071.db2.gz UHRSSJLTUMVGCD-NZQKXSOJSA-N 1 0 452.002 3.653 20 30 JHEDRO COc1ccc([C@@H](CNC(=O)OC(C)(C)C)C[N@@H+]2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 ZINC001307808335 1070193143 /nfs/dbraw/zinc/19/31/43/1070193143.db2.gz WMYFNBMCDZEXFD-UNMCSNQZSA-N 1 0 452.555 3.723 20 30 JHEDRO CCOCc1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CCc1nc(C)c(C)s1 ZINC001314377090 1070218050 /nfs/dbraw/zinc/21/80/50/1070218050.db2.gz AQKWNFDPRWBIDR-UHFFFAOYSA-N 1 0 479.654 3.715 20 30 JHEDRO C#CC[N@H+](C[C@H](O)c1ccc(F)c(Br)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308076356 1070303337 /nfs/dbraw/zinc/30/33/37/1070303337.db2.gz XPDPBYYSVXOGJY-IBGZPJMESA-N 1 0 455.368 3.956 20 30 JHEDRO C#CC[N@H+](C[C@@H](O)c1ccc(F)c(Br)c1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308076357 1070303447 /nfs/dbraw/zinc/30/34/47/1070303447.db2.gz XPDPBYYSVXOGJY-LJQANCHMSA-N 1 0 455.368 3.956 20 30 JHEDRO N#Cc1c2c(sc1NC(=O)CCN1CCC[N@H+](Cc3ccccc3)CCOCC1)CCC2 ZINC001308107797 1070314673 /nfs/dbraw/zinc/31/46/73/1070314673.db2.gz XLXIABJKGKANIP-UHFFFAOYSA-N 1 0 452.624 3.662 20 30 JHEDRO N#CCc1ccc(OC[C@H](O)C[NH+]2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)cc1 ZINC001308124888 1070322204 /nfs/dbraw/zinc/32/22/04/1070322204.db2.gz QLWUSCPDOMHYBB-SNPRPXQTSA-N 1 0 458.349 3.595 20 30 JHEDRO CC[C@@H](C#N)Oc1cccc(C[NH2+]Cc2cnnn2[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 ZINC001308272723 1070349408 /nfs/dbraw/zinc/34/94/08/1070349408.db2.gz IBYUGCSMFHWXRS-FPOVZHCZSA-N 1 0 454.575 3.821 20 30 JHEDRO N#Cc1ccc(N2CCC[C@H]([NH2+]Cc3cc(Br)c4c(c3)OCCCO4)C2=O)cc1 ZINC001308369122 1070362456 /nfs/dbraw/zinc/36/24/56/1070362456.db2.gz HPNWGMIGLAYGMH-IBGZPJMESA-N 1 0 456.340 3.767 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)C(=O)OCC)CC1 ZINC001313446702 1070363742 /nfs/dbraw/zinc/36/37/42/1070363742.db2.gz DUYJRFQFXZJKLQ-QHCPKHFHSA-N 1 0 479.629 3.748 20 30 JHEDRO C[C@@H]1C[C@@H](C[NH+]2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCN1C(=O)OC(C)(C)C ZINC001308623155 1070403945 /nfs/dbraw/zinc/40/39/45/1070403945.db2.gz ISUBDZLCGJICGV-MSOLQXFVSA-N 1 0 455.559 3.964 20 30 JHEDRO C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001308686956 1070418524 /nfs/dbraw/zinc/41/85/24/1070418524.db2.gz RWQKFRRBYBKWDM-YWZLYKJASA-N 1 0 455.356 3.823 20 30 JHEDRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001313467776 1070444597 /nfs/dbraw/zinc/44/45/97/1070444597.db2.gz SOHKRCHIRHLGNQ-ISKFKSNPSA-N 1 0 477.657 3.680 20 30 JHEDRO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCCCC2)CC1 ZINC001313471362 1070461687 /nfs/dbraw/zinc/46/16/87/1070461687.db2.gz IWLOLDZZSJHQBY-UHFFFAOYSA-N 1 0 477.657 3.824 20 30 JHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2Cl)CC1 ZINC001309116773 1070548692 /nfs/dbraw/zinc/54/86/92/1070548692.db2.gz ZICQXUXTRJRBQY-OAHLLOKOSA-N 1 0 450.967 3.532 20 30 JHEDRO CCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001313520878 1070587409 /nfs/dbraw/zinc/58/74/09/1070587409.db2.gz HOBJOZZNHMHEHO-URXFXBBRSA-N 1 0 466.630 3.571 20 30 JHEDRO C[NH+](C)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC(C)(C)C)CC2)CCCCC1 ZINC001314653970 1070767223 /nfs/dbraw/zinc/76/72/23/1070767223.db2.gz TWPFXOMJHYITSO-UHFFFAOYSA-N 1 0 492.672 3.711 20 30 JHEDRO C[NH+](C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(CC(F)(F)F)CC2)CCCC1 ZINC001314652305 1070762987 /nfs/dbraw/zinc/76/29/87/1070762987.db2.gz GOVPDQGLUPXWOZ-UHFFFAOYSA-N 1 0 475.563 3.766 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)C1)c1ccsc1 ZINC001314655610 1070772724 /nfs/dbraw/zinc/77/27/24/1070772724.db2.gz QZEITNAABARJCT-NRFANRHFSA-N 1 0 466.611 3.708 20 30 JHEDRO C[NH+](C)[C@@]1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)CCSC1 ZINC001314660222 1070783920 /nfs/dbraw/zinc/78/39/20/1070783920.db2.gz SWHYXENWPKLKMJ-RUZDIDTESA-N 1 0 485.677 3.641 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001314666354 1070798893 /nfs/dbraw/zinc/79/88/93/1070798893.db2.gz UPRGSTSBVJIHDF-UHFFFAOYSA-N 1 0 493.059 3.703 20 30 JHEDRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001313654122 1070836498 /nfs/dbraw/zinc/83/64/98/1070836498.db2.gz IEGWOWDRSXBTNQ-UHFFFAOYSA-N 1 0 492.672 3.665 20 30 JHEDRO CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)[NH+]2CCCCC2)CC1 ZINC001313654403 1070837504 /nfs/dbraw/zinc/83/75/04/1070837504.db2.gz KRFJUBAURUMNCM-UHFFFAOYSA-N 1 0 492.672 3.665 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001313660651 1070866144 /nfs/dbraw/zinc/86/61/44/1070866144.db2.gz SBTCVELCJKCBTH-LJQANCHMSA-N 1 0 479.032 3.922 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 ZINC001313664356 1070876663 /nfs/dbraw/zinc/87/66/63/1070876663.db2.gz BFMVPOODQBIVSC-UGKGYDQZSA-N 1 0 495.653 3.802 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccccc1 ZINC001313664683 1070877257 /nfs/dbraw/zinc/87/72/57/1070877257.db2.gz NSIUYWXDCGKKBT-XMMPIXPASA-N 1 0 489.672 3.725 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1)c1ccco1 ZINC001313665279 1070879227 /nfs/dbraw/zinc/87/92/27/1070879227.db2.gz QULFZMJQNRUBGX-FGZHOGPDSA-N 1 0 491.596 3.552 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)c1ccsc1 ZINC001313666132 1070883072 /nfs/dbraw/zinc/88/30/72/1070883072.db2.gz ULWAXJWBVGITOQ-DENIHFKCSA-N 1 0 493.685 3.923 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 ZINC001313674054 1070909819 /nfs/dbraw/zinc/90/98/19/1070909819.db2.gz MKKRLYIBBLSXRZ-LEWJYISDSA-N 1 0 496.637 3.836 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 ZINC001313673796 1070908322 /nfs/dbraw/zinc/90/83/22/1070908322.db2.gz GVHVHTJRWLQAIE-FCHUYYIVSA-N 1 0 478.597 3.879 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C#N)C1)c1ccco1 ZINC001313673814 1070909226 /nfs/dbraw/zinc/90/92/26/1070909226.db2.gz GVHVHTJRWLQAIE-YADHBBJMSA-N 1 0 478.597 3.879 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 ZINC001313675997 1070919597 /nfs/dbraw/zinc/91/95/97/1070919597.db2.gz SQPDWJUWTRNLAV-YADHBBJMSA-N 1 0 484.601 3.870 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1)c1ccco1 ZINC001313675438 1070915577 /nfs/dbraw/zinc/91/55/77/1070915577.db2.gz UHBPRAZETJTTFL-HSZRJFAPSA-N 1 0 475.597 3.551 20 30 JHEDRO CC[NH+](CC)C1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccc(C#N)o2)CC1 ZINC001313696067 1070961930 /nfs/dbraw/zinc/96/19/30/1070961930.db2.gz DHGSMABDJRNLIU-UHFFFAOYSA-N 1 0 462.598 3.895 20 30 JHEDRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 ZINC001313697748 1070968215 /nfs/dbraw/zinc/96/82/15/1070968215.db2.gz STUVRRWUKPPXKO-IBVKSMDESA-N 1 0 466.630 3.590 20 30 JHEDRO CN(Cc1cccc(C#N)c1)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314740207 1070974817 /nfs/dbraw/zinc/97/48/17/1070974817.db2.gz QGYADRSBANDDOK-HSZRJFAPSA-N 1 0 468.030 3.939 20 30 JHEDRO N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC001309942705 1071024662 /nfs/dbraw/zinc/02/46/62/1071024662.db2.gz HFGFXTKWPTYQPA-SVFBPWRDSA-N 1 0 474.424 3.900 20 30 JHEDRO N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3CO)cc2)nc1 ZINC001310211132 1071208538 /nfs/dbraw/zinc/20/85/38/1071208538.db2.gz OYHCCLCVBWCZLZ-ZJSXRUAMSA-N 1 0 457.534 3.750 20 30 JHEDRO CN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC001314862136 1071254614 /nfs/dbraw/zinc/25/46/14/1071254614.db2.gz NSXMDUSVVZQKBC-JOCHJYFZSA-N 1 0 479.629 3.748 20 30 JHEDRO Cc1ccc(NC(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)c(OCC[NH+](C)C)c1 ZINC001310352246 1071331807 /nfs/dbraw/zinc/33/18/07/1071331807.db2.gz FLWTVQPSKKTXCB-UHFFFAOYSA-N 1 0 458.566 3.709 20 30 JHEDRO CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314934504 1071382116 /nfs/dbraw/zinc/38/21/16/1071382116.db2.gz PHMPMPPTQDVEEO-UNMCSNQZSA-N 1 0 477.657 3.680 20 30 JHEDRO CC[NH+]1CCC(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCCO2)CC1 ZINC001313881403 1071455240 /nfs/dbraw/zinc/45/52/40/1071455240.db2.gz KRVHOAFDMPFGCK-XMMPIXPASA-N 1 0 466.630 3.856 20 30 JHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2cc(C)ccc2C(C)C)nnc1N1CCO[C@@H](C#N)C1 ZINC001313906004 1071523436 /nfs/dbraw/zinc/52/34/36/1071523436.db2.gz XAKFXTPLGNRBPR-SFTDATJTSA-N 1 0 452.603 3.502 20 30 JHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@@H]1C ZINC001313913744 1071544262 /nfs/dbraw/zinc/54/42/62/1071544262.db2.gz LRUWMLWUKVWAON-FPOVZHCZSA-N 1 0 452.603 3.607 20 30 JHEDRO CC[NH+]1CCN([C@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)[C@@H](C)CC#N)CC1 ZINC001313926992 1071578810 /nfs/dbraw/zinc/57/88/10/1071578810.db2.gz GXWWSBIXEIIFOH-FCHUYYIVSA-N 1 0 481.689 3.919 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C ZINC001313932789 1071596295 /nfs/dbraw/zinc/59/62/95/1071596295.db2.gz MAUCQQGJGFJYHB-HXUWFJFHSA-N 1 0 491.640 3.914 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(COC)CCCC2)C[C@H]1C ZINC001313944393 1071625062 /nfs/dbraw/zinc/62/50/62/1071625062.db2.gz ZKKZKCIPENHMCG-OAQYLSRUSA-N 1 0 466.630 3.856 20 30 JHEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(-c3ccccc3Br)nnc2N(C)C[C@@H](C)C#N)CC1 ZINC001313950778 1071639952 /nfs/dbraw/zinc/63/99/52/1071639952.db2.gz QPONRRDRSHEYFN-RBUKOAKNSA-N 1 0 488.478 3.577 20 30 JHEDRO CCN1CC[NH+](CCCCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001313953455 1071649008 /nfs/dbraw/zinc/64/90/08/1071649008.db2.gz FUHCZYNSLDJLQN-GOTSBHOMSA-N 1 0 479.673 3.629 20 30 JHEDRO CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H](c2ccc(CC)cc2)[NH+](C)C)CCOC1 ZINC001314111193 1072005079 /nfs/dbraw/zinc/00/50/79/1072005079.db2.gz HNSHIVCJBQOCSY-SQHAQQRYSA-N 1 0 480.657 3.926 20 30 JHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 ZINC001306320136 1068748225 /nfs/dbraw/zinc/74/82/25/1068748225.db2.gz QESQMBBJSBOPFK-YADARESESA-N 1 0 456.566 3.669 20 30 JHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001306325860 1068762887 /nfs/dbraw/zinc/76/28/87/1068762887.db2.gz VMCQMIJPTGHCIC-SQJMNOBHSA-N 1 0 458.651 3.713 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 ZINC001306326555 1068764964 /nfs/dbraw/zinc/76/49/64/1068764964.db2.gz ZNRYFRHAAZQXDK-FYYLOGMGSA-N 1 0 452.603 3.608 20 30 JHEDRO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1 ZINC001310556614 1069015579 /nfs/dbraw/zinc/01/55/79/1069015579.db2.gz MAAMIBFDWOISAW-DENIHFKCSA-N 1 0 454.596 3.891 20 30 JHEDRO C[C@H]1C[NH+](Cc2ccc(CNC(=O)Nc3ccc(Br)c(C#N)n3)cc2)C[C@H](C)O1 ZINC001311072156 1069264353 /nfs/dbraw/zinc/26/43/53/1069264353.db2.gz HHNYFTMRPTYYRF-GJZGRUSLSA-N 1 0 458.360 3.647 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(C#N)cc(Cl)n3)CC2)c2ccccc21 ZINC001164680269 719654966 /nfs/dbraw/zinc/65/49/66/719654966.db2.gz DTHJZXBCBAYCKW-LJQANCHMSA-N 1 0 452.002 3.700 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc(Cl)c(F)cc3C#N)CC2)c2ccccc21 ZINC001164684420 719656235 /nfs/dbraw/zinc/65/62/35/719656235.db2.gz XHEHOTPZDUSUSY-QGZVFWFLSA-N 1 0 469.992 3.839 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ncnc4ccc(C#N)cc43)CC2)c2ccccc21 ZINC001164681702 719661307 /nfs/dbraw/zinc/66/13/07/719661307.db2.gz QCJWKOSOSOQMKM-OAQYLSRUSA-N 1 0 468.605 3.595 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nccc(Cl)c3C#N)CC2)c2ccccc21 ZINC001164680798 719662263 /nfs/dbraw/zinc/66/22/63/719662263.db2.gz IURIRXZXFKROJM-GOSISDBHSA-N 1 0 452.002 3.700 20 30 JHEDRO CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)nc1 ZINC001164696917 719783828 /nfs/dbraw/zinc/78/38/28/719783828.db2.gz WSIUOGHWZRQVFZ-LBNVMWSVSA-N 1 0 489.620 3.529 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC2(C[C@@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164717385 720108085 /nfs/dbraw/zinc/10/80/85/720108085.db2.gz OJQYVFHQOOVVOW-FQEVSTJZSA-N 1 0 484.000 3.686 20 30 JHEDRO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccccc1C#N)C2 ZINC001164815285 720198129 /nfs/dbraw/zinc/19/81/29/720198129.db2.gz YHBLTYFHEPZHAM-NTKDMRAZSA-N 1 0 453.974 3.979 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2nc3cc(F)ccc3c(Cl)c2C#N)CC1 ZINC001164825266 720354939 /nfs/dbraw/zinc/35/49/39/720354939.db2.gz JGNBOQAUURTZAU-LEWJYISDSA-N 1 0 455.965 3.810 20 30 JHEDRO N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748826 720858328 /nfs/dbraw/zinc/85/83/28/720858328.db2.gz MLKRISOFPJBEMV-NJDAHSKKSA-N 1 0 490.999 3.765 20 30 JHEDRO N#Cc1cc(C#N)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)nc1Cl ZINC001164750562 720888550 /nfs/dbraw/zinc/88/85/50/720888550.db2.gz BKCIMPGEZXMXMT-DHLKQENFSA-N 1 0 462.985 3.628 20 30 JHEDRO N#CCc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c(Cl)c1 ZINC001164751302 720926539 /nfs/dbraw/zinc/92/65/39/720926539.db2.gz LDZAPCVAPQHJDH-RCZVLFRGSA-N 1 0 452.002 3.951 20 30 JHEDRO Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CC3(C2)CC[N@H+](CC2CC2)C3)cc1 ZINC001164770870 721297502 /nfs/dbraw/zinc/29/75/02/721297502.db2.gz WZWWZQWJRATQNC-DEOSSOPVSA-N 1 0 487.629 3.899 20 30 JHEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(Cl)c4C#N)C3)O2)CC1 ZINC001164885607 721384225 /nfs/dbraw/zinc/38/42/25/721384225.db2.gz CVFMLMPMAOLBJX-YWZLYKJASA-N 1 0 474.383 3.570 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc(C#N)c1)CC2 ZINC001164782663 721458975 /nfs/dbraw/zinc/45/89/75/721458975.db2.gz ASOCRHQMTSYMPO-FQEVSTJZSA-N 1 0 468.976 3.885 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(C#N)cc(Cl)n1)CC2 ZINC001164787727 721460725 /nfs/dbraw/zinc/46/07/25/721460725.db2.gz RXJOLMKWDZPGNW-IBGZPJMESA-N 1 0 468.976 3.885 20 30 JHEDRO Cc1nc(C#Cc2ccnc(N3CC[C@@H]4[C@H]3CCN4CC[NH+](C)C)c2)c(C)n1-c1ccc(F)cc1 ZINC001164928075 721863758 /nfs/dbraw/zinc/86/37/58/721863758.db2.gz XTZAUAXBZXLCJX-KAYWLYCHSA-N 1 0 472.612 3.638 20 30 JHEDRO CCCCCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001306634280 1069338845 /nfs/dbraw/zinc/33/88/45/1069338845.db2.gz HIFMHKTXADFICR-UHFFFAOYSA-N 1 0 475.641 3.744 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@@](C)(C#N)C1 ZINC001306681680 1069411283 /nfs/dbraw/zinc/41/12/83/1069411283.db2.gz QSHGKEZVPAHJTE-NRFANRHFSA-N 1 0 462.440 3.908 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001306684620 1069419468 /nfs/dbraw/zinc/41/94/68/1069419468.db2.gz PXDPAGMZCCVMJZ-UHFFFAOYSA-N 1 0 459.598 3.991 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 ZINC001306723152 1069462439 /nfs/dbraw/zinc/46/24/39/1069462439.db2.gz QHUPSJPCQPKXJZ-XMMPIXPASA-N 1 0 477.657 3.776 20 30 JHEDRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[N@H+](CCC)C2)C1 ZINC001306737283 1069506194 /nfs/dbraw/zinc/50/61/94/1069506194.db2.gz OAIARHJSABFZTL-ISKFKSNPSA-N 1 0 477.657 3.681 20 30 JHEDRO CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)c1 ZINC001311820962 1069560548 /nfs/dbraw/zinc/56/05/48/1069560548.db2.gz UYDIOOYLLYVANO-RXVVDRJESA-N 1 0 453.562 3.819 20 30 JHEDRO CCC[N@H+](C)C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CSCCS2)C1 ZINC001306788570 1069594287 /nfs/dbraw/zinc/59/42/87/1069594287.db2.gz KYYWBGZRCPLAHR-UNMCSNQZSA-N 1 0 486.711 3.745 20 30 JHEDRO CCC[N@H+](CC)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001306804987 1069614876 /nfs/dbraw/zinc/61/48/76/1069614876.db2.gz HFXLCGHXTMETPW-UHFFFAOYSA-N 1 0 467.021 3.857 20 30 JHEDRO CC[C@H](C)[NH2+][C@H](CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1ccco1 ZINC001306841216 1069654343 /nfs/dbraw/zinc/65/43/43/1069654343.db2.gz ZEJSZIDANWZLID-QFBILLFUSA-N 1 0 451.527 3.861 20 30 JHEDRO N#Cc1ccc(N2CCC[C@H](C[NH+]3CCN(c4ccccn4)CC3)C2)c(F)c1Br ZINC001306945390 1069687526 /nfs/dbraw/zinc/68/75/26/1069687526.db2.gz CFROPDYFAKGCEZ-QGZVFWFLSA-N 1 0 458.379 3.893 20 30 JHEDRO CCC[NH+](CCC)CCCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CCC(C#N)CC1 ZINC001307005089 1069700226 /nfs/dbraw/zinc/70/02/26/1069700226.db2.gz MXQMVTJVNRRNTB-UHFFFAOYSA-N 1 0 462.602 3.846 20 30 JHEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC(CC#N)CC2)C1 ZINC001307030699 1069739169 /nfs/dbraw/zinc/73/91/69/1069739169.db2.gz AWHMYGFTPNVIFP-KRWDZBQOSA-N 1 0 460.424 3.898 20 30 JHEDRO CCC[N@@H+]1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC001307040174 1069766128 /nfs/dbraw/zinc/76/61/28/1069766128.db2.gz WVEWIHGTZHGLDL-IEIRFRATSA-N 1 0 493.656 3.898 20 30 JHEDRO CCC[NH+]1CCC(Cn2c(N3CCC[C@](C)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001307047679 1069790777 /nfs/dbraw/zinc/79/07/77/1069790777.db2.gz XXAYEZYCTXOXKE-RPBOFIJWSA-N 1 0 458.651 3.571 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 ZINC001307053383 1069811977 /nfs/dbraw/zinc/81/19/77/1069811977.db2.gz HPVMCCJVPUYCMV-DWLFOUALSA-N 1 0 456.566 3.550 20 30 JHEDRO Cc1ccc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)c(OC[C@H]2CCCO2)c1 ZINC001312257349 1069815246 /nfs/dbraw/zinc/81/52/46/1069815246.db2.gz YJNSLBGXMUALOR-XMMPIXPASA-N 1 0 450.583 3.698 20 30 JHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(COC)CC1 ZINC001307058907 1069841773 /nfs/dbraw/zinc/84/17/73/1069841773.db2.gz OMNSGDQNXOSMHQ-QHCPKHFHSA-N 1 0 466.630 3.856 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N(C)[C@H](C)CC#N ZINC001307063298 1069863157 /nfs/dbraw/zinc/86/31/57/1069863157.db2.gz PQXUQVVQJGSDQS-WOJBJXKFSA-N 1 0 476.629 3.678 20 30 JHEDRO CCOc1ccccc1OCc1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001314223809 1069881572 /nfs/dbraw/zinc/88/15/72/1069881572.db2.gz XCHBZUIRFWYZHL-JOCHJYFZSA-N 1 0 496.656 3.743 20 30 JHEDRO CCOc1ccccc1OCc1nnc(N2CCC[N@@H+](C(C)C)CC2)n1Cc1ccc(C#N)o1 ZINC001314225896 1069892823 /nfs/dbraw/zinc/89/28/23/1069892823.db2.gz BZXIWHGJMVZEAI-UHFFFAOYSA-N 1 0 464.570 3.689 20 30 JHEDRO C=CCn1c(CC[NH+]2CCCCC2)nnc1SCC(=O)c1ccc(Br)cn1 ZINC001307279708 1069925542 /nfs/dbraw/zinc/92/55/42/1069925542.db2.gz DWUXTGWEOSUTTK-UHFFFAOYSA-N 1 0 450.406 3.625 20 30 JHEDRO CCO[C@H]1C[C@H](N(C)c2nnc(-c3ccc(C#N)cc3)n2CC[NH+]2CCSCC2)C1(C)C ZINC001314244750 1069957887 /nfs/dbraw/zinc/95/78/87/1069957887.db2.gz PQZXZOBPLHMWOX-SFTDATJTSA-N 1 0 454.644 3.505 20 30 JHEDRO O=C(CC[NH+]1CCC(F)(c2ccccc2OC(F)(F)F)CC1)NC(=O)NCC(F)(F)F ZINC001307726634 1070151364 /nfs/dbraw/zinc/15/13/64/1070151364.db2.gz XGUROFGHYKSADN-UHFFFAOYSA-N 1 0 459.362 3.624 20 30 JHEDRO CSc1ccccc1OC[C@H](O)C[N@H+](C(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC001307845730 1070209854 /nfs/dbraw/zinc/20/98/54/1070209854.db2.gz STQYZTCGZZCNCB-FGZHOGPDSA-N 1 0 453.608 3.926 20 30 JHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001307920147 1070242618 /nfs/dbraw/zinc/24/26/18/1070242618.db2.gz XKUPXJANKLXRCA-OFQSIMQFSA-N 1 0 460.594 3.951 20 30 JHEDRO CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001314402419 1070263932 /nfs/dbraw/zinc/26/39/32/1070263932.db2.gz FASJZKAMYMZSAM-QPPBQGQZSA-N 1 0 466.630 3.776 20 30 JHEDRO CCC[N@@H+]1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001313447695 1070368666 /nfs/dbraw/zinc/36/86/66/1070368666.db2.gz NAQGNEUBHXCBMP-FFZOFVMBSA-N 1 0 462.520 3.847 20 30 JHEDRO Cn1cc(C[NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)c(-c2ccc(C#N)cc2)n1 ZINC001308408322 1070371586 /nfs/dbraw/zinc/37/15/86/1070371586.db2.gz TVOCHQTVQUPRFK-INIZCTEOSA-N 1 0 457.347 3.801 20 30 JHEDRO CCCn1nc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@@H](C)[NH+](CC)CC)c2ccccc2c1=O ZINC001313454998 1070390652 /nfs/dbraw/zinc/39/06/52/1070390652.db2.gz FKEMZKHMTBJUJF-HXUWFJFHSA-N 1 0 490.656 3.925 20 30 JHEDRO CCCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[N@@H+]2CCC[C@H]2C)cc1OC ZINC001313503442 1070533664 /nfs/dbraw/zinc/53/36/64/1070533664.db2.gz DEQUEQURNVBGJZ-HOYKHHGWSA-N 1 0 456.566 3.669 20 30 JHEDRO C[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Br)cc(C#N)c2)[C@@H]1c1cccs1 ZINC001309221379 1070620960 /nfs/dbraw/zinc/62/09/60/1070620960.db2.gz ZWSKZTKQIHXTQS-KBXCAEBGSA-N 1 0 454.415 3.744 20 30 JHEDRO CC[N@H+](C)Cc1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCC[C@@](C)(C#N)C2)c1 ZINC001313574050 1070688871 /nfs/dbraw/zinc/68/88/71/1070688871.db2.gz JKCIXTNVJFAEST-SANMLTNESA-N 1 0 460.630 3.770 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@](C)(C#N)C1)C1CCCCC1 ZINC001314654592 1070769694 /nfs/dbraw/zinc/76/96/94/1070769694.db2.gz KIMSVWWGKUCJOB-NLFFAJNJSA-N 1 0 483.686 3.910 20 30 JHEDRO C[NH+](C)C1(Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CC[C@](F)(C#N)C2)CCCC1 ZINC001314660309 1070783927 /nfs/dbraw/zinc/78/39/27/1070783927.db2.gz NCBDYPJMJHXYNQ-MBSDFSHPSA-N 1 0 475.613 3.666 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001313658444 1070859775 /nfs/dbraw/zinc/85/97/75/1070859775.db2.gz ABYGQNICIDYOSV-PTUXOGIPSA-N 1 0 493.656 3.850 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nc(C)cs2)CC1 ZINC001313660094 1070864817 /nfs/dbraw/zinc/86/48/17/1070864817.db2.gz OGDMIDXCYKULJH-IBGZPJMESA-N 1 0 464.643 3.639 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(Cc2ccccc2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 ZINC001313664697 1070877705 /nfs/dbraw/zinc/87/77/05/1070877705.db2.gz BSHHWEZLQYCCTA-QFIPXVFZSA-N 1 0 472.641 3.501 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(C)nnc1N1CCN(c2cccc(F)c2C#N)CC1)c1ccco1 ZINC001313666995 1070887453 /nfs/dbraw/zinc/88/74/53/1070887453.db2.gz ZSUVLBOSQUFRDQ-QFIPXVFZSA-N 1 0 451.550 3.600 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCC2(CCOCC2)C1 ZINC001313668724 1070893860 /nfs/dbraw/zinc/89/38/60/1070893860.db2.gz SNJCOSHUVUWPJI-NRFANRHFSA-N 1 0 466.630 3.856 20 30 JHEDRO CN(Cc1cc(Cl)ccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001314721887 1070919170 /nfs/dbraw/zinc/91/91/70/1070919170.db2.gz ALHXTIDKSGYSHX-DEOSSOPVSA-N 1 0 498.056 3.851 20 30 JHEDRO CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[N@H+]1CC=CCC1 ZINC001314727155 1070936840 /nfs/dbraw/zinc/93/68/40/1070936840.db2.gz QOCRJDCNKOZMOK-ZRZAMGCNSA-N 1 0 491.640 3.819 20 30 JHEDRO CN(Cc1ccc(C#N)cc1)c1nnc(-c2cc(Br)c[nH]2)n1CC1([NH+](C)C)CCOCC1 ZINC001314729469 1070944089 /nfs/dbraw/zinc/94/40/89/1070944089.db2.gz LDDJWXHWEQCFLR-UHFFFAOYSA-N 1 0 498.429 3.655 20 30 JHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(F)(F)Br)C1 ZINC001313702290 1070983475 /nfs/dbraw/zinc/98/34/75/1070983475.db2.gz NYBAJVKCRDXIGG-INIZCTEOSA-N 1 0 467.362 3.973 20 30 JHEDRO CC[NH+](CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC001313714734 1071012996 /nfs/dbraw/zinc/01/29/96/1071012996.db2.gz PAOWDTUILXGRLZ-FQEVSTJZSA-N 1 0 481.645 3.994 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 ZINC001313721119 1071022821 /nfs/dbraw/zinc/02/28/21/1071022821.db2.gz GBDSVWBQTZYNKU-WIYYLYMNSA-N 1 0 478.601 3.631 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC001313722216 1071026236 /nfs/dbraw/zinc/02/62/36/1071026236.db2.gz ZCKPMHRAWVYXKJ-AUSIDOKSSA-N 1 0 475.645 3.672 20 30 JHEDRO CN(C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC001314802100 1071084202 /nfs/dbraw/zinc/08/42/02/1071084202.db2.gz ZWCIAWZHTCQJJS-QFIPXVFZSA-N 1 0 493.656 3.996 20 30 JHEDRO CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001314814110 1071116359 /nfs/dbraw/zinc/11/63/59/1071116359.db2.gz QHSKXLXLNDNZSI-QPPBQGQZSA-N 1 0 466.630 3.712 20 30 JHEDRO CCN(C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)[NH+](C)C)C1)CC(F)(F)F ZINC001313784804 1071157532 /nfs/dbraw/zinc/15/75/32/1071157532.db2.gz HDPZVFDROPCQGS-SIKLNZKXSA-N 1 0 489.590 3.867 20 30 JHEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1nncn1C)CCC(F)(F)F ZINC001313807743 1071230123 /nfs/dbraw/zinc/23/01/23/1071230123.db2.gz XKIVJNQCZOOHSA-IBGZPJMESA-N 1 0 487.534 3.561 20 30 JHEDRO CC[N@H+](CCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N(C)[C@H](C)CC#N)C(C)C ZINC001313809298 1071236782 /nfs/dbraw/zinc/23/67/82/1071236782.db2.gz JQHXRVLKJBEFIM-LJQANCHMSA-N 1 0 464.618 3.705 20 30 JHEDRO CC[N@@H+]1C[C@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)CCC(C)C)C[C@H]1C ZINC001313874193 1071428078 /nfs/dbraw/zinc/42/80/78/1071428078.db2.gz GUGKZKKMZCTQPV-SWYRRKHMSA-N 1 0 468.646 3.835 20 30 JHEDRO CC[N@@H+]1CC[C@@H](Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(CCC#N)CCC(C)C)C1 ZINC001313893428 1071490279 /nfs/dbraw/zinc/49/02/79/1071490279.db2.gz NZSXEOVFOKOYOG-LJQANCHMSA-N 1 0 462.602 3.702 20 30 JHEDRO CC[N@@H+]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCc1cccs1 ZINC001313904640 1071519080 /nfs/dbraw/zinc/51/90/80/1071519080.db2.gz RNNUHSFQQDDCNT-FQEVSTJZSA-N 1 0 450.612 3.953 20 30 JHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 ZINC001313913076 1071541642 /nfs/dbraw/zinc/54/16/42/1071541642.db2.gz KHTFZWCFUZDDNH-RTWAWAEBSA-N 1 0 471.650 3.964 20 30 JHEDRO CC[N@@H+]1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001313915891 1071551486 /nfs/dbraw/zinc/55/14/86/1071551486.db2.gz VCLDGBHVYFRVPC-NRFANRHFSA-N 1 0 466.630 3.997 20 30 JHEDRO CC[NH+]1CCN([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCCSCC(C)C)C2)CC1 ZINC001313944435 1071624882 /nfs/dbraw/zinc/62/48/82/1071624882.db2.gz CAMBOZSGPWLBGR-DEOSSOPVSA-N 1 0 481.714 3.812 20 30 JHEDRO CCN1CC[NH+](CCCCn2c(COc3ccc(C#N)cc3)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313953456 1071648909 /nfs/dbraw/zinc/64/89/09/1071648909.db2.gz FUHCZYNSLDJLQN-ZRZAMGCNSA-N 1 0 479.673 3.629 20 30 JHEDRO CCN1CC[NH+](CCCn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 ZINC001313957000 1071658880 /nfs/dbraw/zinc/65/88/80/1071658880.db2.gz ASTMSOFTTJTODY-AREMUKBSSA-N 1 0 467.637 3.712 20 30 JHEDRO CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C)[NH+]2CCC(C)CC2)c2ccccc2c1=O ZINC001313959006 1071665891 /nfs/dbraw/zinc/66/58/91/1071665891.db2.gz JGWMDWPTBQTNSV-VQTJNVASSA-N 1 0 476.629 3.534 20 30 JHEDRO CC[NH+]1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCC[C@H](C)C2)CC1 ZINC001313961519 1071672763 /nfs/dbraw/zinc/67/27/63/1071672763.db2.gz UCKLOHGDOKQJCN-LADGPHEKSA-N 1 0 479.673 3.771 20 30 JHEDRO CCc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[N@@H+](CC)[C@H](C)C2)cs1 ZINC001306025623 1068420218 /nfs/dbraw/zinc/42/02/18/1068420218.db2.gz OXVIBYTUSKCCLS-GOSISDBHSA-N 1 0 465.627 3.521 20 30 JHEDRO CCc1nc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2([NH+](C)C)CCSC2)cs1 ZINC001306033965 1068437647 /nfs/dbraw/zinc/43/76/47/1068437647.db2.gz SRWAESAVDCPDTE-DEOSSOPVSA-N 1 0 497.694 3.821 20 30 JHEDRO CCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[NH+](CC(C)C)CC2)cs1 ZINC001306039713 1068450836 /nfs/dbraw/zinc/45/08/36/1068450836.db2.gz LTVHNSQZURALTN-UHFFFAOYSA-N 1 0 465.627 3.574 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 ZINC001306319763 1068746842 /nfs/dbraw/zinc/74/68/42/1068746842.db2.gz WGCLSJYASPFGTG-JOCHJYFZSA-N 1 0 463.630 3.721 20 30 JHEDRO 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 1068872244 /nfs/dbraw/zinc/87/22/44/1068872244.db2.gz CDUDVYXZRQRTFO-XFGYDDDFSA-N 1 0 466.630 3.708 20 30 JHEDRO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCS1 ZINC001306405771 1068874574 /nfs/dbraw/zinc/87/45/74/1068874574.db2.gz RMIRNYXPBOTESQ-WOIUINJBSA-N 1 0 454.644 3.648 20 30 JHEDRO CC[C@@H]1CN(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(C#N)o2)CC[N@@H+]1CCOC ZINC001306454546 1068976661 /nfs/dbraw/zinc/97/66/61/1068976661.db2.gz MXDVJBKXBCKVDS-OAQYLSRUSA-N 1 0 478.597 3.534 20 30 JHEDRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001306500305 1069057830 /nfs/dbraw/zinc/05/78/30/1069057830.db2.gz YLOSXWCWIKHXHY-DNQXCXABSA-N 1 0 477.657 3.822 20 30 JHEDRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(SC)CC[NH+](C)CC2)C1 ZINC001306500876 1069062126 /nfs/dbraw/zinc/06/21/26/1069062126.db2.gz SQHHCAVHYDTAJA-JOCHJYFZSA-N 1 0 495.697 3.529 20 30 JHEDRO CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001306510053 1069100598 /nfs/dbraw/zinc/10/05/98/1069100598.db2.gz SFBLPTDAGKPDQW-UHFFFAOYSA-N 1 0 477.657 3.966 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncc(C#N)cc3Cl)CC2)c2ccccc21 ZINC001164680338 719658550 /nfs/dbraw/zinc/65/85/50/719658550.db2.gz FSCYRYISLATLJP-IBGZPJMESA-N 1 0 452.002 3.700 20 30 JHEDRO CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc3cc(F)c(F)cc3c(Cl)c1C#N)CCC2 ZINC001164818269 720246649 /nfs/dbraw/zinc/24/66/49/720246649.db2.gz YCKUPALJUGCVQA-UHFFFAOYSA-N 1 0 472.927 3.845 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3C(F)(F)c2cc(Cl)nc(Cl)c2C#N)CC1 ZINC001164823860 720292979 /nfs/dbraw/zinc/29/29/79/720292979.db2.gz QKGYWTYRJOWXHK-IRXDYDNUSA-N 1 0 472.367 3.716 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2cnc(Cl)nc2Oc2cccc(C#N)c2)CC1 ZINC001164831591 720353556 /nfs/dbraw/zinc/35/35/56/720353556.db2.gz YVVDUHSSJVDVBS-SFTDATJTSA-N 1 0 481.000 3.705 20 30 JHEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC2(C[C@H]([N@H+](C)Cc3ccccc3)CO2)CC1 ZINC001164836409 720713828 /nfs/dbraw/zinc/71/38/28/720713828.db2.gz ABYMWQGDZZYLIC-VXKWHMMOSA-N 1 0 485.588 3.670 20 30 JHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164870116 721186089 /nfs/dbraw/zinc/18/60/89/721186089.db2.gz SRWSHLBOAQUTDL-TZIWHRDSSA-N 1 0 462.941 3.669 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(C#N)ccc1NC(=O)C(C)(C)C)CC2 ZINC001164788563 721463469 /nfs/dbraw/zinc/46/34/69/721463469.db2.gz UABSJZDGHWXNSK-QFIPXVFZSA-N 1 0 483.657 3.672 20 30 JHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N(C)C1CC[NH+](Cc2c(OC)cccc2OC)CC1 ZINC001165021207 721843392 /nfs/dbraw/zinc/84/33/92/721843392.db2.gz HWGLSJGPGUMXHV-LJQANCHMSA-N 1 0 489.576 3.528 20 30 JHEDRO 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CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CC#N ZINC001306722333 1069459603 /nfs/dbraw/zinc/45/96/03/1069459603.db2.gz HDNIAHBYNRTAOO-PMACEKPBSA-N 1 0 486.690 3.631 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 ZINC001306724209 1069465167 /nfs/dbraw/zinc/46/51/67/1069465167.db2.gz XFUUGRXULYCZHF-DEOSSOPVSA-N 1 0 463.630 3.530 20 30 JHEDRO CCC[N@H+](CC)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@](C)(C#N)C1 ZINC001306801815 1069607005 /nfs/dbraw/zinc/60/70/05/1069607005.db2.gz BIUNJTKHWWDZGG-OAQYLSRUSA-N 1 0 462.440 3.908 20 30 JHEDRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC001312177114 1069766696 /nfs/dbraw/zinc/76/66/96/1069766696.db2.gz JSDZFUJOIUSEGI-JOCHJYFZSA-N 1 0 457.619 3.715 20 30 JHEDRO CCC[NH+]1CCC(Cn2c(N3CCC[C@@](C)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001307047678 1069790695 /nfs/dbraw/zinc/79/06/95/1069790695.db2.gz XXAYEZYCTXOXKE-LOSJGSFVSA-N 1 0 458.651 3.571 20 30 JHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC2CCCCC2)CC1 ZINC001307050365 1069800327 /nfs/dbraw/zinc/80/03/27/1069800327.db2.gz VGTBRVGMUMACDV-UHFFFAOYSA-N 1 0 463.630 3.576 20 30 JHEDRO CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001314203734 1069809267 /nfs/dbraw/zinc/80/92/67/1069809267.db2.gz SBYGUCLWOCTYGL-RQTOMXEWSA-N 1 0 496.656 3.914 20 30 JHEDRO CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)cc1 ZINC001314203735 1069809153 /nfs/dbraw/zinc/80/91/53/1069809153.db2.gz SBYGUCLWOCTYGL-SLSDLSHTSA-N 1 0 496.656 3.914 20 30 JHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(c2ncccc2C#N)CC1 ZINC001307055150 1069820286 /nfs/dbraw/zinc/82/02/86/1069820286.db2.gz OTQBRULLJWUDSR-IRLDBZIGSA-N 1 0 450.635 3.649 20 30 JHEDRO C=CCC[C@H](NC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)c1ccc(C(F)(F)F)cc1 ZINC001312344477 1069875663 /nfs/dbraw/zinc/87/56/63/1069875663.db2.gz ZIJHNHGUNHUQPB-FQEVSTJZSA-N 1 0 454.537 3.908 20 30 JHEDRO CCc1ccc([C@H](CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[NH+](CC)CC)cc1 ZINC001312469588 1069956755 /nfs/dbraw/zinc/95/67/55/1069956755.db2.gz LYKNFYRBHAEVSV-BDTNDASRSA-N 1 0 457.619 3.690 20 30 JHEDRO 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 1069965545 /nfs/dbraw/zinc/96/55/45/1069965545.db2.gz IFZRODIRSDFWLU-ZPZUNKDASA-N 1 0 459.594 3.748 20 30 JHEDRO CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2cccc(C)c2C)C1 ZINC001307499719 1070017950 /nfs/dbraw/zinc/01/79/50/1070017950.db2.gz NWEDLPRAZWAEBQ-IBGZPJMESA-N 1 0 452.521 3.673 20 30 JHEDRO CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001314277602 1070037945 /nfs/dbraw/zinc/03/79/45/1070037945.db2.gz ZHTIJJRRVXZCBJ-PKTZIBPZSA-N 1 0 466.630 3.854 20 30 JHEDRO C#Cc1ccc(NC(=O)CC[NH+]2CCC(C(=O)Nc3ccc(Br)cn3)CC2)cc1 ZINC001307571390 1070057296 /nfs/dbraw/zinc/05/72/96/1070057296.db2.gz HNFZEFDZCHCDNK-UHFFFAOYSA-N 1 0 455.356 3.505 20 30 JHEDRO CCOCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001314286797 1070060848 /nfs/dbraw/zinc/06/08/48/1070060848.db2.gz POPCBBFSVYOYQB-GOTSBHOMSA-N 1 0 493.700 3.874 20 30 JHEDRO CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001314348110 1070156715 /nfs/dbraw/zinc/15/67/15/1070156715.db2.gz CFLWANSPTQFLQM-SFTDATJTSA-N 1 0 496.656 3.622 20 30 JHEDRO C[C@H]1CC[C@H](NC(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)CN1C(=O)OC(C)(C)C ZINC001312948270 1070194173 /nfs/dbraw/zinc/19/41/73/1070194173.db2.gz WHGMJZRILKSYSJ-AVRDEDQJSA-N 1 0 455.603 3.610 20 30 JHEDRO CC(C)(C)OC(=O)NCCC[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 ZINC001307812292 1070195248 /nfs/dbraw/zinc/19/52/48/1070195248.db2.gz OEDGALQBLPAVKI-QFIPXVFZSA-N 1 0 457.596 3.968 20 30 JHEDRO COc1cc(C#N)ccc1OCC[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001307938794 1070250445 /nfs/dbraw/zinc/25/04/45/1070250445.db2.gz OAWJZJXPIBUNLC-DLBZAZTESA-N 1 0 457.493 3.971 20 30 JHEDRO 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JHEDRO CCOCC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(F)(F)Br)C[C@@H]1CC ZINC001314498138 1070423079 /nfs/dbraw/zinc/42/30/79/1070423079.db2.gz WTYGFVURPXJOPO-SFHVURJKSA-N 1 0 497.388 3.742 20 30 JHEDRO CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](CC(C)C)[NH+](C)C)CC1 ZINC001313472393 1070466378 /nfs/dbraw/zinc/46/63/78/1070466378.db2.gz YLKRYKPZJUQWSF-QHCPKHFHSA-N 1 0 465.646 3.536 20 30 JHEDRO CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001313478304 1070488603 /nfs/dbraw/zinc/48/86/03/1070488603.db2.gz RTGLASMCBGSDSO-GGAORHGYSA-N 1 0 477.657 3.824 20 30 JHEDRO CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C2CCCCC2)[NH+](C)C)cc1OC ZINC001313506229 1070547137 /nfs/dbraw/zinc/54/71/37/1070547137.db2.gz WGQCLDLRXYJRPE-PKTZIBPZSA-N 1 0 496.656 3.982 20 30 JHEDRO CCCOc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[NH+](C(C)(C)C)CC2)cn1 ZINC001313512709 1070564776 /nfs/dbraw/zinc/56/47/76/1070564776.db2.gz RFWXMYMPZZXDJQ-UHFFFAOYSA-N 1 0 489.624 3.881 20 30 JHEDRO CCS[C@H](C)c1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC[N@H+]2CC=CCC2)n1 ZINC001314577353 1070586659 /nfs/dbraw/zinc/58/66/59/1070586659.db2.gz PDNMOXCXNHUFKR-GOSISDBHSA-N 1 0 478.626 3.912 20 30 JHEDRO CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001313521542 1070589176 /nfs/dbraw/zinc/58/91/76/1070589176.db2.gz ODKMTNORASBZJK-RPBOFIJWSA-N 1 0 480.657 3.959 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@](C)(C#N)C1)C1CCCCC1 ZINC001314654581 1070769071 /nfs/dbraw/zinc/76/90/71/1070769071.db2.gz KIMSVWWGKUCJOB-CJFMBICVSA-N 1 0 483.686 3.910 20 30 JHEDRO CC[NH+](CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C#N)CC1)c1ccccc1 ZINC001313676669 1070922548 /nfs/dbraw/zinc/92/25/48/1070922548.db2.gz YSGCUAMYAWFKIB-XMMPIXPASA-N 1 0 460.630 3.963 20 30 JHEDRO CN(Cc1ccc(Br)o1)c1nnc(-c2ccc(C#N)cc2)n1CC[NH+]1CCCC1 ZINC001314726246 1070933124 /nfs/dbraw/zinc/93/31/24/1070933124.db2.gz QAZVRBNYXUGJCP-UHFFFAOYSA-N 1 0 455.360 3.904 20 30 JHEDRO CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCC[N@H+](C)C1CCCCC1 ZINC001314729594 1070944752 /nfs/dbraw/zinc/94/47/52/1070944752.db2.gz LSVKKOOOADGFBW-UHFFFAOYSA-N 1 0 463.630 3.677 20 30 JHEDRO CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)c2cccs2)C1 ZINC001313701689 1070981262 /nfs/dbraw/zinc/98/12/62/1070981262.db2.gz JJCQQHHIGLKHOL-NBGIEHNGSA-N 1 0 464.639 3.954 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001313725869 1071033594 /nfs/dbraw/zinc/03/35/94/1071033594.db2.gz SYLRORJPRAUQOU-AUSIDOKSSA-N 1 0 469.609 3.587 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C2CCOCC2)C1 ZINC001313726499 1071035111 /nfs/dbraw/zinc/03/51/11/1071035111.db2.gz BBGKGXSFLBXNIR-OFNKIYASSA-N 1 0 466.630 3.712 20 30 JHEDRO CC[N@H+](CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1)CCC(F)(F)F ZINC001313805628 1071220486 /nfs/dbraw/zinc/22/04/86/1071220486.db2.gz MJMXEZQPBJLJFV-LJQANCHMSA-N 1 0 469.443 3.570 20 30 JHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1)CCC(F)(F)F ZINC001313806657 1071225055 /nfs/dbraw/zinc/22/50/55/1071225055.db2.gz WOUFSPUQXLEVOM-UHFFFAOYSA-N 1 0 462.520 3.708 20 30 JHEDRO CC[N@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCCc2c1cnn2C)C(C)C ZINC001313819443 1071273578 /nfs/dbraw/zinc/27/35/78/1071273578.db2.gz AXEREMLSAUUDLP-QHCPKHFHSA-N 1 0 476.629 3.706 20 30 JHEDRO C[N@@H+]1CCCC(C)(C)[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001314928958 1071372038 /nfs/dbraw/zinc/37/20/38/1071372038.db2.gz QXZFBPQPGNPQBN-JOCHJYFZSA-N 1 0 477.657 3.632 20 30 JHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCOc2ncccc2Cl)C[C@H]1C ZINC001313864955 1071389465 /nfs/dbraw/zinc/38/94/65/1071389465.db2.gz ZSRQEXCQUVTVBW-QZTJIDSGSA-N 1 0 465.989 3.863 20 30 JHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(COc3ccc(C#N)cc3)n2CCCC(F)(F)F)C[C@@H]1C ZINC001313873560 1071425525 /nfs/dbraw/zinc/42/55/25/1071425525.db2.gz DDAHYSSGNCCJFX-DLBZAZTESA-N 1 0 450.509 3.990 20 30 JHEDRO CC[NH+]1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001313927050 1071578779 /nfs/dbraw/zinc/57/87/79/1071578779.db2.gz YZDYORZYGUHTTH-LJQANCHMSA-N 1 0 479.032 3.528 20 30 JHEDRO CCN1CC[NH+](CCCCn2c(-c3cccc(C)n3)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001313955774 1071656093 /nfs/dbraw/zinc/65/60/93/1071656093.db2.gz ZYICBPNAMGJTRL-UHFFFAOYSA-N 1 0 472.641 3.574 20 30 JHEDRO CCN1CC[NH+](CCCn2c(-c3ccc(Cl)cc3F)nnc2N2CCC[C@](C)(C#N)C2)CC1 ZINC001313958006 1071662391 /nfs/dbraw/zinc/66/23/91/1071662391.db2.gz MNQXOMPLMOWBGX-XMMPIXPASA-N 1 0 474.028 3.895 20 30 JHEDRO CCn1nc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H](CC(C)C)[NH+](C)C)c2ccccc2c1=O ZINC001313965821 1071684731 /nfs/dbraw/zinc/68/47/31/1071684731.db2.gz FRZAKSBDEFYNAK-CCLHPLFOSA-N 1 0 490.656 3.781 20 30 JHEDRO CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001314055413 1071881580 /nfs/dbraw/zinc/88/15/80/1071881580.db2.gz VZRKPFUJFLVVTO-UHFFFAOYSA-N 1 0 452.603 3.608 20 30 JHEDRO CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H](c2ccccc2)[NH+](CC)CC)CCOC1 ZINC001314099766 1071982637 /nfs/dbraw/zinc/98/26/37/1071982637.db2.gz CCOJFNUYEDALGF-JYFHCDHNSA-N 1 0 466.630 3.753 20 30 JHEDRO CCc1ccc([C@@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)[NH+](C)C)cc1 ZINC001305922058 1068217644 /nfs/dbraw/zinc/21/76/44/1068217644.db2.gz YUEWCAZGNBQDIS-MOUTVQLLSA-N 1 0 480.657 3.791 20 30 JHEDRO CCc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC001305941950 1068252751 /nfs/dbraw/zinc/25/27/51/1068252751.db2.gz UJBNDLWEZCWFFH-OZXSUGGESA-N 1 0 450.631 3.874 20 30 JHEDRO CC[C@@H]1c2ccsc2CCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCC[NH+](C)C ZINC001306280595 1068696605 /nfs/dbraw/zinc/69/66/05/1068696605.db2.gz YJJHABMXRBQUKD-OAQYLSRUSA-N 1 0 450.612 3.970 20 30 JHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC#N ZINC001306318501 1068742098 /nfs/dbraw/zinc/74/20/98/1068742098.db2.gz NZUFZASYORCPTP-RXVVDRJESA-N 1 0 472.037 3.864 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 ZINC001306318998 1068743193 /nfs/dbraw/zinc/74/31/93/1068743193.db2.gz QJKYIPFRTBPCCW-VAMGGRTRSA-N 1 0 456.566 3.550 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 ZINC001306319002 1068743539 /nfs/dbraw/zinc/74/35/39/1068743539.db2.gz QJKYIPFRTBPCCW-XUVXKRRUSA-N 1 0 456.566 3.550 20 30 JHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NC(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 ZINC001306319764 1068746530 /nfs/dbraw/zinc/74/65/30/1068746530.db2.gz WGCLSJYASPFGTG-QFIPXVFZSA-N 1 0 463.630 3.721 20 30 JHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cccc(C#N)c1 ZINC001306321140 1068751041 /nfs/dbraw/zinc/75/10/41/1068751041.db2.gz BCRHQLXXCRPVFZ-DEOSSOPVSA-N 1 0 460.630 3.912 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(F)(F)F ZINC001306321472 1068751774 /nfs/dbraw/zinc/75/17/74/1068751774.db2.gz CPYHBTUZMWPZPZ-GOSISDBHSA-N 1 0 450.509 3.992 20 30 JHEDRO CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CCS1 ZINC001306406474 1068876443 /nfs/dbraw/zinc/87/64/43/1068876443.db2.gz XXRKBDRBTABOOS-YADHBBJMSA-N 1 0 454.644 3.505 20 30 JHEDRO CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2csc(C)c2)CC[N@@H+]1CCOC ZINC001306408645 1068886443 /nfs/dbraw/zinc/88/64/43/1068886443.db2.gz CMJQQWBQXYQGHB-QFIPXVFZSA-N 1 0 450.612 3.782 20 30 JHEDRO CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2([NH+](C)C)CCCCC2)C[C@@H](C)O1 ZINC001306455857 1068979136 /nfs/dbraw/zinc/97/91/36/1068979136.db2.gz UHASCADOHIRWQH-IFMALSPDSA-N 1 0 466.630 3.997 20 30 JHEDRO C[N@@H+]1CC[C@@H](CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001310521790 1068998057 /nfs/dbraw/zinc/99/80/57/1068998057.db2.gz ZEQTZPLYTWCIAQ-OXJNMPFZSA-N 1 0 453.909 3.746 20 30 JHEDRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001306498308 1069049495 /nfs/dbraw/zinc/04/94/95/1069049495.db2.gz OBAHHFMBMGYUAF-ZFGGDYGUSA-N 1 0 477.657 3.822 20 30 JHEDRO N#Cc1cccc(-c2cc(C(F)(F)N3Cc4ncnn4C4(CC[NH2+]CC4)C3)cnc2Cl)c1 ZINC001164416020 718886049 /nfs/dbraw/zinc/88/60/49/718886049.db2.gz QLFLOTCPEIJIEC-UHFFFAOYSA-N 1 0 455.900 3.509 20 30 JHEDRO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@@H]2N1C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1 ZINC001164614830 719020561 /nfs/dbraw/zinc/02/05/61/719020561.db2.gz GPXPJTROXVUWQJ-HNHYXYPQSA-N 1 0 455.292 3.688 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOC[C@@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)nc1 ZINC001164696952 719783912 /nfs/dbraw/zinc/78/39/12/719783912.db2.gz WSIUOGHWZRQVFZ-NAKRPHOHSA-N 1 0 489.620 3.529 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC2(C[C@H](COC)[N@H+](Cc3ccccn3)C2)CC1 ZINC001164717399 720107130 /nfs/dbraw/zinc/10/71/30/720107130.db2.gz OJQYVFHQOOVVOW-HXUWFJFHSA-N 1 0 484.000 3.686 20 30 JHEDRO COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cnc(Cl)nc1Oc1ccc(C#N)cc1)C2 ZINC001164812062 720198970 /nfs/dbraw/zinc/19/89/70/720198970.db2.gz KRWWINGOVDKJKQ-YADARESESA-N 1 0 453.974 3.979 20 30 JHEDRO 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N#Cc1ccccc1Oc1nc(Cl)ncc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1 ZINC001164748830 720858463 /nfs/dbraw/zinc/85/84/63/720858463.db2.gz MLKRISOFPJBEMV-PCCBWWKXSA-N 1 0 490.999 3.765 20 30 JHEDRO N#Cc1cc(C#N)c(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)nc1Cl ZINC001164750580 720888226 /nfs/dbraw/zinc/88/82/26/720888226.db2.gz BKCIMPGEZXMXMT-RDGATRHJSA-N 1 0 462.985 3.628 20 30 JHEDRO N#Cc1c2c(cnc1N1CC[C@]3(C1)C[N@H+](CC1CC1)C[C@@H]3COCc1cccnc1)CCCC2 ZINC001164749977 720937523 /nfs/dbraw/zinc/93/75/23/720937523.db2.gz IQMISBIRJRPWTO-UFHPHHKVSA-N 1 0 457.622 3.982 20 30 JHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc1 ZINC001164870110 721186725 /nfs/dbraw/zinc/18/67/25/721186725.db2.gz SRWSHLBOAQUTDL-CTNGQTDRSA-N 1 0 462.941 3.669 20 30 JHEDRO N#Cc1ccc(Oc2nc(Cl)ncc2N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)cc1 ZINC001164870114 721186990 /nfs/dbraw/zinc/18/69/90/721186990.db2.gz SRWSHLBOAQUTDL-PZJWPPBQSA-N 1 0 462.941 3.669 20 30 JHEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(-c5ccc(C#N)cc5)nnc4Cl)C[C@H]3C2)cn1 ZINC001164764765 721247317 /nfs/dbraw/zinc/24/73/17/721247317.db2.gz PTIYITRPPIVQHO-WOJBJXKFSA-N 1 0 483.954 3.905 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)c(Cl)cc1C#N)CC2 ZINC001164787767 721459901 /nfs/dbraw/zinc/45/99/01/721459901.db2.gz SBXPDFQITIRJGX-SFHVURJKSA-N 1 0 453.414 3.994 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1N1CCC(F)(F)[C@@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164904208 721695717 /nfs/dbraw/zinc/69/57/17/721695717.db2.gz DUIBGXKFUDAKLZ-JOCHJYFZSA-N 1 0 475.927 3.916 20 30 JHEDRO N#C[C@@H](c1ccc(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)nn1)c1ccccc1F ZINC001164963841 722057916 /nfs/dbraw/zinc/05/79/16/722057916.db2.gz NLVZNARZCWDCCP-HSZRJFAPSA-N 1 0 472.568 3.785 20 30 JHEDRO CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C(CC)CC)[NH+]2CCOCC2)CCO1 ZINC001306623093 1069314028 /nfs/dbraw/zinc/31/40/28/1069314028.db2.gz POENZOTUZBWJCB-RPBOFIJWSA-N 1 0 480.657 3.959 20 30 JHEDRO CCCCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[N@@H+]2CC)CC1 ZINC001306660059 1069378604 /nfs/dbraw/zinc/37/86/04/1069378604.db2.gz HDQNMSHSWYZCGZ-XMMPIXPASA-N 1 0 477.657 3.824 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(c2ncccc2F)CC1 ZINC001306682658 1069414637 /nfs/dbraw/zinc/41/46/37/1069414637.db2.gz KWOFJFHHJNKPGS-UHFFFAOYSA-N 1 0 476.604 3.799 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(Cc2csc(C)n2)CC1 ZINC001306683210 1069415880 /nfs/dbraw/zinc/41/58/80/1069415880.db2.gz VJRRJXGEKHZLHR-UHFFFAOYSA-N 1 0 478.670 3.636 20 30 JHEDRO CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001306737638 1069507253 /nfs/dbraw/zinc/50/72/53/1069507253.db2.gz XNUIWJHEKBKPGF-WUMKDDEVSA-N 1 0 477.657 3.678 20 30 JHEDRO N#Cc1cccc([C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](Cc4ccc(C(F)(F)F)cc4)C3)CCO2)c1 ZINC001311993185 1069655503 /nfs/dbraw/zinc/65/55/03/1069655503.db2.gz FTLJSJRANGVSGK-VXKWHMMOSA-N 1 0 458.484 3.934 20 30 JHEDRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC(CC#N)CC2)C1 ZINC001307037432 1069758382 /nfs/dbraw/zinc/75/83/82/1069758382.db2.gz UOVMUXIOZFZBRZ-NRFANRHFSA-N 1 0 484.048 3.723 20 30 JHEDRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(C#N)CC3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC001314194204 1069763140 /nfs/dbraw/zinc/76/31/40/1069763140.db2.gz QSZMTDSQHJUHMF-SQJMNOBHSA-N 1 0 496.656 3.914 20 30 JHEDRO CCC[NH+]1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC001307044497 1069778342 /nfs/dbraw/zinc/77/83/42/1069778342.db2.gz GNUVDEPNZAYVGT-OAQYLSRUSA-N 1 0 492.546 3.618 20 30 JHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(Br)cc3)nnc2N(C)C[C@@H](C)C#N)C1 ZINC001307046868 1069786836 /nfs/dbraw/zinc/78/68/36/1069786836.db2.gz SCKGLCMDTFFHGJ-ZWKOTPCHSA-N 1 0 475.435 3.947 20 30 JHEDRO CCC[N@@H+]1CC[C@H](Cn2c(COc3ccc(Br)cc3)nnc2N(C)C[C@@H](C)C#N)C1 ZINC001307046867 1069786925 /nfs/dbraw/zinc/78/69/25/1069786925.db2.gz SCKGLCMDTFFHGJ-ROUUACIJSA-N 1 0 475.435 3.947 20 30 JHEDRO CCC[NH+]1CCC(N(C)c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCCCC2)CC1 ZINC001307050511 1069801072 /nfs/dbraw/zinc/80/10/72/1069801072.db2.gz XUWBQXPFPVYBRN-UHFFFAOYSA-N 1 0 463.630 3.530 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)(C#N)CC1 ZINC001307060054 1069847548 /nfs/dbraw/zinc/84/75/48/1069847548.db2.gz ZORQXAYMACGIBV-LJQANCHMSA-N 1 0 469.659 3.664 20 30 JHEDRO CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC[N@@H+]2CCC[C@H](C)C2)CC1=O ZINC001307062735 1069859842 /nfs/dbraw/zinc/85/98/42/1069859842.db2.gz WCTRTDWMFLVZPF-QFIPXVFZSA-N 1 0 477.657 3.778 20 30 JHEDRO CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCC[N@@H+]2CCC)CC1=O ZINC001307065066 1069869269 /nfs/dbraw/zinc/86/92/69/1069869269.db2.gz XEWNBIMHFFLYMS-HSZRJFAPSA-N 1 0 463.630 3.530 20 30 JHEDRO FC(F)(F)Oc1ccc(C#CCN2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)cc1 ZINC001307438187 1069984030 /nfs/dbraw/zinc/98/40/30/1069984030.db2.gz HVQSHHDJNKTEMT-JOCHJYFZSA-N 1 0 458.528 3.866 20 30 JHEDRO CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)CC1 ZINC001312518234 1069985551 /nfs/dbraw/zinc/98/55/51/1069985551.db2.gz MSFCYNLIBOIMLN-JOCHJYFZSA-N 1 0 455.603 3.565 20 30 JHEDRO CSc1ccc(CNC(=O)NC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)cc1C#N ZINC001312718512 1070092811 /nfs/dbraw/zinc/09/28/11/1070092811.db2.gz CIPNLYZLJHJURH-UHFFFAOYSA-N 1 0 451.596 3.702 20 30 JHEDRO CCOc1cccc2cc([C@H](C)[NH2+]CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)oc21 ZINC001307662395 1070108922 /nfs/dbraw/zinc/10/89/22/1070108922.db2.gz VFIZWFQEMAHWHN-HKUYNNGSSA-N 1 0 452.580 3.953 20 30 JHEDRO CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H](C(C)C)[NH+]1CCCC1 ZINC001314348587 1070158227 /nfs/dbraw/zinc/15/82/27/1070158227.db2.gz IDVXLSWUJCUTHK-DEOSSOPVSA-N 1 0 466.630 3.854 20 30 JHEDRO CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 ZINC001312886894 1070168049 /nfs/dbraw/zinc/16/80/49/1070168049.db2.gz VZFLQIMYEFAVJA-ZEQKJWHPSA-N 1 0 462.594 3.648 20 30 JHEDRO CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H]([NH2+]C[C@H](O)COc2ccc(CC#N)cc2)C1 ZINC001307919851 1070241597 /nfs/dbraw/zinc/24/15/97/1070241597.db2.gz WNXRLTHBTBEMDV-ICDZXHCJSA-N 1 0 465.594 3.875 20 30 JHEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001307920145 1070242331 /nfs/dbraw/zinc/24/23/31/1070242331.db2.gz XKUPXJANKLXRCA-GIMAVKCBSA-N 1 0 460.594 3.951 20 30 JHEDRO C[C@@H]([NH2+]CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccc(C#N)c1 ZINC001308066083 1070299721 /nfs/dbraw/zinc/29/97/21/1070299721.db2.gz MCTCQRDWTVMTNG-CQSZACIVSA-N 1 0 451.880 3.625 20 30 JHEDRO CCCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H](CC)[NH+]2CCCC2)c2ccccc2c1=O ZINC001313452168 1070381976 /nfs/dbraw/zinc/38/19/76/1070381976.db2.gz GNFOCLNKUDRSON-PMACEKPBSA-N 1 0 476.629 3.535 20 30 JHEDRO CCOCCN(CC)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001314473428 1070384499 /nfs/dbraw/zinc/38/44/99/1070384499.db2.gz MVCVXNKBKXHVIB-PMACEKPBSA-N 1 0 454.619 3.567 20 30 JHEDRO CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC001314504327 1070443915 /nfs/dbraw/zinc/44/39/15/1070443915.db2.gz FCBAZARIVKADMB-QFIPXVFZSA-N 1 0 498.697 3.588 20 30 JHEDRO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C#N)c(Br)c1)Cc1ccccc1 ZINC001309030485 1070496224 /nfs/dbraw/zinc/49/62/24/1070496224.db2.gz CDAARHQDOZJECJ-GOSISDBHSA-N 1 0 450.402 3.552 20 30 JHEDRO CCCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[N@@H+]2CCC[C@@H]2C)cc1OC ZINC001313503444 1070533738 /nfs/dbraw/zinc/53/37/38/1070533738.db2.gz DEQUEQURNVBGJZ-MHECFPHRSA-N 1 0 456.566 3.669 20 30 JHEDRO CCCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC[N@@H+]2CC)cc1OC ZINC001313504753 1070539985 /nfs/dbraw/zinc/53/99/85/1070539985.db2.gz KGBJQSHQHVEDMO-DVECYGJZSA-N 1 0 456.566 3.669 20 30 JHEDRO C[C@@H](NS(=O)(=O)c1c(C#N)sc2ccccc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001309136275 1070560350 /nfs/dbraw/zinc/56/03/50/1070560350.db2.gz UXAUSWZQKSGUJV-OAHLLOKOSA-N 1 0 458.584 3.703 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 ZINC001314647297 1070749274 /nfs/dbraw/zinc/74/92/74/1070749274.db2.gz PXLDEGKQAAEUEG-SFTDATJTSA-N 1 0 487.446 3.947 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](F)(C#N)C1)c1ccc(F)cc1 ZINC001314649474 1070756265 /nfs/dbraw/zinc/75/62/65/1070756265.db2.gz WCJNVTCKVQIPJF-PGRDOPGGSA-N 1 0 457.916 3.877 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1)c1cccs1 ZINC001314651395 1070761203 /nfs/dbraw/zinc/76/12/03/1070761203.db2.gz BKCDTMSZMIPIFO-XXBNENTESA-N 1 0 465.558 3.535 20 30 JHEDRO C[NH+](C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](NC(=O)OC(C)(C)C)C2)CCCC1 ZINC001314653373 1070765831 /nfs/dbraw/zinc/76/58/31/1070765831.db2.gz NIKNVCGHEYGPML-OAQYLSRUSA-N 1 0 479.629 3.795 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)C1)c1ccsc1 ZINC001314655611 1070772698 /nfs/dbraw/zinc/77/26/98/1070772698.db2.gz QZEITNAABARJCT-OAQYLSRUSA-N 1 0 466.611 3.708 20 30 JHEDRO C[NH+](C)[C@]1(Cn2c(CC(C)(C)C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)CCSC1 ZINC001314660227 1070783782 /nfs/dbraw/zinc/78/37/82/1070783782.db2.gz SWHYXENWPKLKMJ-VWLOTQADSA-N 1 0 485.677 3.641 20 30 JHEDRO C[NH+](C)C1(Cn2c([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)nnc2N2CCC(C#N)CC2)CCCC1 ZINC001314658187 1070778852 /nfs/dbraw/zinc/77/88/52/1070778852.db2.gz UHCHVJKQHTXEAJ-BGYRXZFFSA-N 1 0 471.650 3.663 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 ZINC001314662360 1070788939 /nfs/dbraw/zinc/78/89/39/1070788939.db2.gz ABNSBELFDAHFBS-UHFFFAOYSA-N 1 0 479.032 3.780 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001314666155 1070799053 /nfs/dbraw/zinc/79/90/53/1070799053.db2.gz SHWCXSKNIDFOTC-UHFFFAOYSA-N 1 0 481.645 3.898 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC001314666475 1070799611 /nfs/dbraw/zinc/79/96/11/1070799611.db2.gz VDLVZKHTYFYADY-UHFFFAOYSA-N 1 0 493.059 3.703 20 30 JHEDRO CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001313654982 1070842295 /nfs/dbraw/zinc/84/22/95/1070842295.db2.gz PZEHAGFEILOCJV-JOCHJYFZSA-N 1 0 492.672 3.523 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(-c2ccc(Br)s2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 ZINC001313657284 1070855550 /nfs/dbraw/zinc/85/55/50/1070855550.db2.gz KVNLGZNEUIMFGZ-RDJZCZTQSA-N 1 0 492.491 3.676 20 30 JHEDRO CC[NH+](CC)[C@@H](C)Cn1c(CC(C)C)nnc1N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC001313665597 1070881326 /nfs/dbraw/zinc/88/13/26/1070881326.db2.gz FXASTJKCJKAIHB-NRFANRHFSA-N 1 0 474.657 3.953 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC001313668045 1070890703 /nfs/dbraw/zinc/89/07/03/1070890703.db2.gz NWVNFHXSHYJZBJ-MOPGFXCFSA-N 1 0 493.578 3.532 20 30 JHEDRO CN(Cc1cc(Cl)ccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001314721895 1070919066 /nfs/dbraw/zinc/91/90/66/1070919066.db2.gz ALHXTIDKSGYSHX-XMMPIXPASA-N 1 0 498.056 3.851 20 30 JHEDRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)c2ccc(C)cc2C#N)cc1 ZINC001309750442 1070953173 /nfs/dbraw/zinc/95/31/73/1070953173.db2.gz ZZQYWPLOYXMSBJ-LOSJGSFVSA-N 1 0 461.587 3.822 20 30 JHEDRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(F)cn2)CC1 ZINC001313697384 1070966371 /nfs/dbraw/zinc/96/63/71/1070966371.db2.gz NRMHWHPBKNWSBI-UHFFFAOYSA-N 1 0 463.561 3.622 20 30 JHEDRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 ZINC001313697749 1070968266 /nfs/dbraw/zinc/96/82/66/1070968266.db2.gz STUVRRWUKPPXKO-RXFWQSSRSA-N 1 0 466.630 3.590 20 30 JHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)C1 ZINC001313702048 1070982152 /nfs/dbraw/zinc/98/21/52/1070982152.db2.gz LVLPZKBOMYHPLX-CGKQSPDFSA-N 1 0 456.660 3.532 20 30 JHEDRO CC[NH+](CC)C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCCC2(C)C)C1 ZINC001313710160 1071003612 /nfs/dbraw/zinc/00/36/12/1071003612.db2.gz VKUMJJQDRJCXTI-AJTFRIOCSA-N 1 0 480.657 3.838 20 30 JHEDRO CC[NH+](CC)CCCn1c(-c2cccc(C)n2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC001313715081 1071013750 /nfs/dbraw/zinc/01/37/50/1071013750.db2.gz CZWCBNIHQWGWMW-UHFFFAOYSA-N 1 0 472.641 3.574 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC001313721616 1071024486 /nfs/dbraw/zinc/02/44/86/1071024486.db2.gz OLACHUFQXIDCCM-NHCUHLMSSA-N 1 0 479.673 3.924 20 30 JHEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1)C(C)C ZINC001313807256 1071227151 /nfs/dbraw/zinc/22/71/51/1071227151.db2.gz IEKGURSLDSRJGN-OAQYLSRUSA-N 1 0 465.627 3.890 20 30 JHEDRO CN(CCn1c(CC(C)(C)C)nnc1N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1)CC(F)(F)F ZINC001314864343 1071262308 /nfs/dbraw/zinc/26/23/08/1071262308.db2.gz RADUQFFQELHYNF-UHFFFAOYSA-N 1 0 491.606 3.945 20 30 JHEDRO CC[N@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@H](C)C1)CCC(F)(F)F ZINC001313820978 1071280499 /nfs/dbraw/zinc/28/04/99/1071280499.db2.gz ZLXZCRXPBXKGCJ-GOSISDBHSA-N 1 0 480.535 3.618 20 30 JHEDRO CC[N@@H+]1CC[C@H](Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CC[C@](F)(C#N)C2)C1 ZINC001313886042 1071468186 /nfs/dbraw/zinc/46/81/86/1071468186.db2.gz LBNQBWUWGQHLLY-UUOWRZLLSA-N 1 0 456.566 3.525 20 30 JHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001313916115 1071552091 /nfs/dbraw/zinc/55/20/91/1071552091.db2.gz WBQMBDFOMLEBSM-ATIYNZHBSA-N 1 0 466.630 3.999 20 30 JHEDRO COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC001315076830 1071587987 /nfs/dbraw/zinc/58/79/87/1071587987.db2.gz GUDDKPZGWNGCJR-NFBKMPQASA-N 1 0 464.614 3.718 20 30 JHEDRO CCN1CC[NH+](C[C@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC(C)(C#N)CC2)CC1 ZINC001313951285 1071641679 /nfs/dbraw/zinc/64/16/79/1071641679.db2.gz SNEWECJTAWTFAT-FCHUYYIVSA-N 1 0 497.663 3.961 20 30 JHEDRO CCOC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001314013898 1071752482 /nfs/dbraw/zinc/75/24/82/1071752482.db2.gz JJOOVKGEHUQOBV-UHFFFAOYSA-N 1 0 493.656 3.996 20 30 JHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC#N ZINC001306318500 1068741923 /nfs/dbraw/zinc/74/19/23/1068741923.db2.gz NZUFZASYORCPTP-NQIIRXRSSA-N 1 0 472.037 3.864 20 30 JHEDRO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1 ZINC001310555625 1069014996 /nfs/dbraw/zinc/01/49/96/1069014996.db2.gz ABWPOYRWYIPXHS-MOPGFXCFSA-N 1 0 454.596 3.926 20 30 JHEDRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001306498259 1069048910 /nfs/dbraw/zinc/04/89/10/1069048910.db2.gz NBKRFGCUVSIORC-JOCHJYFZSA-N 1 0 463.630 3.576 20 30 JHEDRO CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@H+](C)C2CCCC2)C1 ZINC001306517810 1069129043 /nfs/dbraw/zinc/12/90/43/1069129043.db2.gz INSRZXCKQJKTSH-QFIPXVFZSA-N 1 0 477.657 3.824 20 30 JHEDRO CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F ZINC001311143888 1069283617 /nfs/dbraw/zinc/28/36/17/1069283617.db2.gz ABVHLKQKCLWERM-QFIPXVFZSA-N 1 0 459.516 3.621 20 30 JHEDRO N#Cc1c(Cl)nc2ccc(C(F)(F)N3CCCO[C@@]4(C[NH2+]CCOC4)C3)cc2c1Cl ZINC001164424710 718920112 /nfs/dbraw/zinc/92/01/12/718920112.db2.gz OQVDGTJOWRFSCK-IBGZPJMESA-N 1 0 457.308 3.543 20 30 JHEDRO CCOC(=O)[C@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(C(F)(F)c1cc(Cl)nc(Cl)c1C#N)C2 ZINC001164617809 719006813 /nfs/dbraw/zinc/00/68/13/719006813.db2.gz PYRQMGIHLZHRLJ-YWZLYKJASA-N 1 0 473.351 3.954 20 30 JHEDRO CCOC(=O)C1CC[NH+](C2CCN(c3ccc([C@H](C#N)c4ccccc4F)nn3)CC2)CC1 ZINC001164616404 719028775 /nfs/dbraw/zinc/02/87/75/719028775.db2.gz CZAVHXRPOGWPHJ-OAQYLSRUSA-N 1 0 451.546 3.515 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ncnc4ccc(C#N)cc43)CC2)c2ccccc21 ZINC001164681701 719661498 /nfs/dbraw/zinc/66/14/98/719661498.db2.gz QCJWKOSOSOQMKM-NRFANRHFSA-N 1 0 468.605 3.595 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3nc4c(cc3C#N)CCC4)CC2)c2ccccc21 ZINC001164686827 719677678 /nfs/dbraw/zinc/67/76/78/719677678.db2.gz XEWUTSAFPUAYOX-OAQYLSRUSA-N 1 0 457.622 3.535 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@@]2(C1)C[N@H+](CC1CC1)C[C@@H]2COC ZINC001164808108 720137095 /nfs/dbraw/zinc/13/70/95/720137095.db2.gz DOWPLSLRWOLOJF-VGSWGCGISA-N 1 0 482.959 3.513 20 30 JHEDRO CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC[C@]2(C1)C[N@H+](CC1CC1)C[C@H]2COC ZINC001164808089 720138203 /nfs/dbraw/zinc/13/82/03/720138203.db2.gz DOWPLSLRWOLOJF-HTAPYJJXSA-N 1 0 482.959 3.513 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc(Cl)nc(Cl)c2C#N)CC1 ZINC001164823858 720292901 /nfs/dbraw/zinc/29/29/01/720292901.db2.gz QKGYWTYRJOWXHK-IAGOWNOFSA-N 1 0 472.367 3.716 20 30 JHEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@H]3[C@@H]2CCC(=O)N3CC2CC[NH+](C)CC2)c1C#N ZINC001164834393 720326393 /nfs/dbraw/zinc/32/63/93/720326393.db2.gz ZVJIKUNLJJHPCU-VXKWHMMOSA-N 1 0 476.650 3.649 20 30 JHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c12 ZINC001164830576 720356696 /nfs/dbraw/zinc/35/66/96/720356696.db2.gz WBWSDZBXDKYHBH-NHCUHLMSSA-N 1 0 452.002 3.980 20 30 JHEDRO N#Cc1cc(-c2ccnc(Cl)n2)c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)cc1F ZINC001164744028 720830530 /nfs/dbraw/zinc/83/05/30/720830530.db2.gz UBSQONUBVUDTDY-DNVFCKCGSA-N 1 0 492.990 3.779 20 30 JHEDRO N#CCc1ccc(OCc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2)cc1 ZINC001164745746 720849156 /nfs/dbraw/zinc/84/91/56/720849156.db2.gz NCQUAEPPYJFTIB-CMTIAEDTSA-N 1 0 483.620 3.698 20 30 JHEDRO N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164869975 721048908 /nfs/dbraw/zinc/04/89/08/721048908.db2.gz UVZAWNFPJWIPFA-HUUCEWRRSA-N 1 0 454.308 3.680 20 30 JHEDRO Cn1cc(C[N@@H+]2CC[C@@H]3CN(C(F)(F)c4cc(-c5cccc(C#N)c5)nnc4Cl)C[C@@H]3C2)cn1 ZINC001164765012 721247772 /nfs/dbraw/zinc/24/77/72/721247772.db2.gz QNEHHAJKRVLQJO-UXHICEINSA-N 1 0 483.954 3.905 20 30 JHEDRO Cc1c(F)ccc2nc(Cl)c(C#N)c(N3CC[C@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164890360 721453850 /nfs/dbraw/zinc/45/38/50/721453850.db2.gz REAAGZZKLOECOU-BVZFJXPGSA-N 1 0 472.008 3.973 20 30 JHEDRO 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 ZINC001165028282 721828173 /nfs/dbraw/zinc/82/81/73/721828173.db2.gz VCIFLIJBZDITIL-PSWRPDDJSA-N 1 0 462.598 3.557 20 30 JHEDRO Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCC[C@@H]([NH+](C)C)C2)cc1C ZINC001165036038 721895645 /nfs/dbraw/zinc/89/56/45/721895645.db2.gz REDUWPKROMXXOZ-AUSIDOKSSA-N 1 0 463.607 3.816 20 30 JHEDRO CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCC(OC)CC2)CC[N@@H+]1CCOC ZINC001306623386 1069314599 /nfs/dbraw/zinc/31/45/99/1069314599.db2.gz SECLAGZHQDEEEB-OOAAYMRMSA-N 1 0 480.657 3.959 20 30 JHEDRO CCCCN(C)C(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001306664510 1069388779 /nfs/dbraw/zinc/38/87/79/1069388779.db2.gz RHLIMVPQDKWUTF-FQEVSTJZSA-N 1 0 477.657 3.774 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 ZINC001306684717 1069419326 /nfs/dbraw/zinc/41/93/26/1069419326.db2.gz QCDFLTLEMGMIPZ-UHFFFAOYSA-N 1 0 476.604 3.718 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001306722293 1069459629 /nfs/dbraw/zinc/45/96/29/1069459629.db2.gz GLJCJWLSDXAUJW-BJKOFHAPSA-N 1 0 463.630 3.576 20 30 JHEDRO CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001306735032 1069498604 /nfs/dbraw/zinc/49/86/04/1069498604.db2.gz FRAYEPWGSZUXKK-QHCPKHFHSA-N 1 0 477.657 3.824 20 30 JHEDRO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC001311729142 1069524717 /nfs/dbraw/zinc/52/47/17/1069524717.db2.gz ZDZYQLKULVUHHS-FGZHOGPDSA-N 1 0 455.603 3.621 20 30 JHEDRO CCC[N@H+](CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC001306801789 1069606970 /nfs/dbraw/zinc/60/69/70/1069606970.db2.gz ARGFVOQUCVGFSS-QHCPKHFHSA-N 1 0 475.645 3.674 20 30 JHEDRO CCC[N@H+](CC)CCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)[C@H](C)CC#N ZINC001306804371 1069613630 /nfs/dbraw/zinc/61/36/30/1069613630.db2.gz NOHVQTGFIPPIEZ-WOJBJXKFSA-N 1 0 461.655 3.863 20 30 JHEDRO CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC[C@](C)(C#N)C2)C1 ZINC001307037936 1069759941 /nfs/dbraw/zinc/75/99/41/1069759941.db2.gz XSIUGYLSPQWKDE-NBGIEHNGSA-N 1 0 484.048 3.723 20 30 JHEDRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001312181081 1069769132 /nfs/dbraw/zinc/76/91/32/1069769132.db2.gz XEOFTURWUYIAIR-JOCHJYFZSA-N 1 0 457.619 3.761 20 30 JHEDRO CCOc1ccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001314200612 1069793399 /nfs/dbraw/zinc/79/33/99/1069793399.db2.gz HVLDVGQCVIKINL-QDSKXPNFSA-N 1 0 482.629 3.666 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 ZINC001307053384 1069811778 /nfs/dbraw/zinc/81/17/78/1069811778.db2.gz HPVMCCJVPUYCMV-SYYKKAFVSA-N 1 0 456.566 3.550 20 30 JHEDRO CCOc1ccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)[NH+]2CCCCC2)cc1 ZINC001314204336 1069812012 /nfs/dbraw/zinc/81/20/12/1069812012.db2.gz XEYIEYOHOTYVFG-REWPJTCUSA-N 1 0 482.629 3.810 20 30 JHEDRO CCOCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001314286799 1070060824 /nfs/dbraw/zinc/06/08/24/1070060824.db2.gz POPCBBFSVYOYQB-ZRZAMGCNSA-N 1 0 493.700 3.874 20 30 JHEDRO C=CCC[C@H]([NH2+]CC(=O)Nc1cc(S(N)(=O)=O)ccc1C)c1ccc(C(F)(F)F)cc1 ZINC001307618633 1070083945 /nfs/dbraw/zinc/08/39/45/1070083945.db2.gz OYEFGFZMGQZCNQ-SFHVURJKSA-N 1 0 455.502 3.897 20 30 JHEDRO N#C[C@@H](c1ccc(Br)cc1)N1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC001307654168 1070104397 /nfs/dbraw/zinc/10/43/97/1070104397.db2.gz NFOBAZTVTHVUBI-QFIPXVFZSA-N 1 0 453.384 3.611 20 30 JHEDRO N#Cc1cccc(S(=O)(=O)CC[NH2+]C2(c3cccc(OC(F)(F)F)c3)CCOCC2)c1 ZINC001307729385 1070153806 /nfs/dbraw/zinc/15/38/06/1070153806.db2.gz MFNUISJLFAXVEL-UHFFFAOYSA-N 1 0 454.470 3.526 20 30 JHEDRO CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001314348108 1070156703 /nfs/dbraw/zinc/15/67/03/1070156703.db2.gz CFLWANSPTQFLQM-NHCUHLMSSA-N 1 0 496.656 3.622 20 30 JHEDRO CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)NC1CC[NH+](Cc2cccc(C#N)c2)CC1 ZINC001312948080 1070194116 /nfs/dbraw/zinc/19/41/16/1070194116.db2.gz VHVGBQDBNLDUHJ-QFIPXVFZSA-N 1 0 455.603 3.611 20 30 JHEDRO CC(C)([NH2+]CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc(C#N)c1 ZINC001307922726 1070244320 /nfs/dbraw/zinc/24/43/20/1070244320.db2.gz CFNIXAHECMDZBF-UHFFFAOYSA-N 1 0 454.596 3.586 20 30 JHEDRO Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH2+]C(C)(C)c1cccc(C#N)c1 ZINC001307924160 1070244789 /nfs/dbraw/zinc/24/47/89/1070244789.db2.gz PWVJKMAGBWBJAH-UHFFFAOYSA-N 1 0 457.372 3.551 20 30 JHEDRO CC(C)(C)c1csc(CC2(O)C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H](O)COc2ccccc2C#N)n1 ZINC001308121117 1070320138 /nfs/dbraw/zinc/32/01/38/1070320138.db2.gz MYYWBFQXLVCTTC-VZWWMUCISA-N 1 0 455.624 3.653 20 30 JHEDRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2[N@H+](C)CCCC2(C)C)C1 ZINC001313460065 1070408753 /nfs/dbraw/zinc/40/87/53/1070408753.db2.gz MPGFIXPAFAMGPT-GOTSBHOMSA-N 1 0 477.657 3.680 20 30 JHEDRO CCOCC[N@@H+]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cccs2)C[C@@H]1CC ZINC001314496438 1070417242 /nfs/dbraw/zinc/41/72/42/1070417242.db2.gz QVOLXIRUKYUPCV-NRFANRHFSA-N 1 0 450.612 3.864 20 30 JHEDRO CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001313467777 1070445379 /nfs/dbraw/zinc/44/53/79/1070445379.db2.gz SOHKRCHIRHLGNQ-LADGPHEKSA-N 1 0 477.657 3.680 20 30 JHEDRO CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC001314563576 1070565891 /nfs/dbraw/zinc/56/58/91/1070565891.db2.gz JSGVZELMHHMDTF-MHYLJGINSA-N 1 0 468.671 3.676 20 30 JHEDRO CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC001314570826 1070576505 /nfs/dbraw/zinc/57/65/05/1070576505.db2.gz ZMFBRFZXIAJJEO-BBXSLGCESA-N 1 0 468.671 3.676 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 ZINC001314647294 1070749388 /nfs/dbraw/zinc/74/93/88/1070749388.db2.gz PXLDEGKQAAEUEG-LEWJYISDSA-N 1 0 487.446 3.947 20 30 JHEDRO C[NH+](C)[C@]1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@](C)(C#N)C2)CCSC1 ZINC001314659143 1070780424 /nfs/dbraw/zinc/78/04/24/1070780424.db2.gz MGJPMJMQCHLTRK-PKTZIBPZSA-N 1 0 460.598 3.714 20 30 JHEDRO C[NH+](C)CCOc1ccc(CCn2c(-c3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)cc1 ZINC001314670567 1070811788 /nfs/dbraw/zinc/81/17/88/1070811788.db2.gz HBBNRAMVMLUNHD-AREMUKBSSA-N 1 0 459.598 3.653 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C)(C#N)CC1 ZINC001313657727 1070856479 /nfs/dbraw/zinc/85/64/79/1070856479.db2.gz TYDFBWUPMOGVCW-MRXNPFEDSA-N 1 0 462.440 3.906 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1)c1ccsc1 ZINC001313676192 1070919832 /nfs/dbraw/zinc/91/98/32/1070919832.db2.gz XIVUACLBPKZHAK-GCJKJVERSA-N 1 0 477.638 3.628 20 30 JHEDRO CC[NH+](CC)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nnc(C)s2)CC1 ZINC001313694596 1070957414 /nfs/dbraw/zinc/95/74/14/1070957414.db2.gz LIKXDZCDROYXEM-UHFFFAOYSA-N 1 0 464.643 3.920 20 30 JHEDRO CC[NH+](CC)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CCOCC2)CC1 ZINC001313697283 1070965928 /nfs/dbraw/zinc/96/59/28/1070965928.db2.gz LHNZXTZGWCSIIN-UHFFFAOYSA-N 1 0 466.630 3.856 20 30 JHEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCCC2(F)F)CC1 ZINC001313700964 1070978118 /nfs/dbraw/zinc/97/81/18/1070978118.db2.gz OTEQSYVWJVCQCZ-QFIPXVFZSA-N 1 0 499.610 3.633 20 30 JHEDRO CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C2CC(C(C)(C)C)C2)CC1 ZINC001313700795 1070978228 /nfs/dbraw/zinc/97/82/28/1070978228.db2.gz JJYOSGDYXRKLHR-UHFFFAOYSA-N 1 0 477.657 3.804 20 30 JHEDRO CC[NH+](CC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(c2nccs2)CC1 ZINC001313711685 1071007040 /nfs/dbraw/zinc/00/70/40/1071007040.db2.gz GCDVMYLSLUNPEL-UHFFFAOYSA-N 1 0 464.643 3.722 20 30 JHEDRO CC[NH+](CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(Cc2ccsc2)CC1 ZINC001313714748 1071013232 /nfs/dbraw/zinc/01/32/32/1071013232.db2.gz QBRSBTHEYKOTFY-UHFFFAOYSA-N 1 0 463.655 3.932 20 30 JHEDRO CC[NH+](CC)CCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 ZINC001313715876 1071015247 /nfs/dbraw/zinc/01/52/47/1071015247.db2.gz KTFNSWPTBQKRTQ-JOCHJYFZSA-N 1 0 466.630 3.592 20 30 JHEDRO CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C1CCCCC1)[NH+](C)C ZINC001314814111 1071116347 /nfs/dbraw/zinc/11/63/47/1071116347.db2.gz QHSKXLXLNDNZSI-URXFXBBRSA-N 1 0 466.630 3.712 20 30 JHEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC001310132738 1071143348 /nfs/dbraw/zinc/14/33/48/1071143348.db2.gz WHBUTJGTCFLYQV-HXUWFJFHSA-N 1 0 456.612 3.621 20 30 JHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)C(C)C ZINC001313804533 1071215758 /nfs/dbraw/zinc/21/57/58/1071215758.db2.gz BHIUVPWKAZHPSF-NRFANRHFSA-N 1 0 467.618 3.650 20 30 JHEDRO CC[N@H+](CCn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1CCO[C@@H](C#N)C1)C(C)C ZINC001313805413 1071219713 /nfs/dbraw/zinc/21/97/13/1071219713.db2.gz PKJXNYYJZYARCR-FQEVSTJZSA-N 1 0 465.627 3.836 20 30 JHEDRO CC[N@H+](CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCOC2)C1)CCC(F)(F)F ZINC001313805674 1071221407 /nfs/dbraw/zinc/22/14/07/1071221407.db2.gz NLVBKWKWKZFWPF-QFIPXVFZSA-N 1 0 462.520 3.708 20 30 JHEDRO CC[N@H+](CCn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1)CCC(F)(F)F ZINC001313807388 1071228065 /nfs/dbraw/zinc/22/80/65/1071228065.db2.gz LUOBFGZZJKWVRZ-UHFFFAOYSA-N 1 0 498.557 3.813 20 30 JHEDRO C[N@H+](CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1)C1CCCC1 ZINC001314867706 1071275468 /nfs/dbraw/zinc/27/54/68/1071275468.db2.gz RAXVQAZFFKEZMF-CYFREDJKSA-N 1 0 475.613 3.666 20 30 JHEDRO Cn1cc(Br)cc1-c1nnc(N(CCC#N)CC2CC2)n1CC[NH+]1CCCCC1 ZINC001314895460 1071328492 /nfs/dbraw/zinc/32/84/92/1071328492.db2.gz QEOVCQSFOYFYQU-UHFFFAOYSA-N 1 0 460.424 3.662 20 30 JHEDRO Cn1cccc1-c1nnc(N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)n1CCCOC(F)(F)F ZINC001314917951 1071361179 /nfs/dbraw/zinc/36/11/79/1071361179.db2.gz PPSMTXDOBWEHFW-UHFFFAOYSA-N 1 0 487.530 3.794 20 30 JHEDRO CC[N@@H+]1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cccc(Br)n2)C[C@@H]1C ZINC001313859960 1071366571 /nfs/dbraw/zinc/36/65/71/1071366571.db2.gz JJSZSHJYPLSQJG-DLBZAZTESA-N 1 0 480.414 3.941 20 30 JHEDRO CC[NH+]1CCN(c2ccc(Cn3c(Cc4ccc(Cl)cc4)nnc3N(C)[C@@H](C)CC#N)cn2)CC1 ZINC001313933342 1071597893 /nfs/dbraw/zinc/59/78/93/1071597893.db2.gz KLJSPWBMFQQTIW-FQEVSTJZSA-N 1 0 493.059 3.846 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313935430 1071605952 /nfs/dbraw/zinc/60/59/52/1071605952.db2.gz ZYIMTKCZSXGMEI-SFHVURJKSA-N 1 0 467.618 3.650 20 30 JHEDRO CCN1CC[NH+](C[C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(CC#N)CC2)CC1 ZINC001313955351 1071655408 /nfs/dbraw/zinc/65/54/08/1071655408.db2.gz GCOWTODBNVWHOX-JOCHJYFZSA-N 1 0 493.700 3.878 20 30 JHEDRO CCn1nc(-c2nnc(N3CCC(CC#N)CC3)n2C[C@H](CC(C)C)[NH+](C)C)c2ccccc2c1=O ZINC001313962925 1071676495 /nfs/dbraw/zinc/67/64/95/1071676495.db2.gz QIDLNYARYRBPSR-NRFANRHFSA-N 1 0 490.656 3.781 20 30 JHEDRO CCO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC001314065469 1071911191 /nfs/dbraw/zinc/91/11/91/1071911191.db2.gz KPLHXECDBGDBSY-OFVILXPXSA-N 1 0 480.657 3.957 20 30 JHEDRO CCc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC001305941328 1068250439 /nfs/dbraw/zinc/25/04/39/1068250439.db2.gz QKAXGDRTMMZZME-KCWPFWIISA-N 1 0 477.657 3.580 20 30 JHEDRO CCc1nc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)cs1 ZINC001306030670 1068430044 /nfs/dbraw/zinc/43/00/44/1068430044.db2.gz WVVNTYPDTQKLJI-IBGZPJMESA-N 1 0 479.654 3.973 20 30 JHEDRO CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](c1ccsc1)[NH+](CC)CC ZINC001306244696 1068649243 /nfs/dbraw/zinc/64/92/43/1068649243.db2.gz CTFVASCGUGQVCZ-VXKWHMMOSA-N 1 0 477.638 3.676 20 30 JHEDRO CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CCS1 ZINC001306406472 1068876418 /nfs/dbraw/zinc/87/64/18/1068876418.db2.gz XXRKBDRBTABOOS-FGZHOGPDSA-N 1 0 454.644 3.505 20 30 JHEDRO CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[NH+](CCc2cccs2)CC1 ZINC001306529470 1069165664 /nfs/dbraw/zinc/16/56/64/1069165664.db2.gz JQPITEACUMNESN-VWLOTQADSA-N 1 0 464.639 3.794 20 30 JHEDRO C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(Cl)c(C#N)n3)CC2)c2ccccc21 ZINC001164681940 719659503 /nfs/dbraw/zinc/65/95/03/719659503.db2.gz SKVKJKWGWJFEST-GOSISDBHSA-N 1 0 452.002 3.700 20 30 JHEDRO Cn1nnc2c1CCN(c1c(C#N)c(Cl)nc3cccc(Cl)c31)[C@@H]2COCC[NH+]1CCCC1 ZINC001164719715 720209573 /nfs/dbraw/zinc/20/95/73/720209573.db2.gz SRRHDVLAHXXEBV-LJQANCHMSA-N 1 0 486.407 3.758 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cnc(Cl)nc2Oc2cccc(C#N)c2)CC1 ZINC001164831590 720353096 /nfs/dbraw/zinc/35/30/96/720353096.db2.gz YVVDUHSSJVDVBS-RTWAWAEBSA-N 1 0 481.000 3.705 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2cnc(Cl)nc2Oc2cccc(C#N)c2)CC1 ZINC001164831588 720353522 /nfs/dbraw/zinc/35/35/22/720353522.db2.gz YVVDUHSSJVDVBS-NHCUHLMSSA-N 1 0 481.000 3.705 20 30 JHEDRO C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(C#C[Si](C)(C)C)ccc2NC(=O)C(C)(C)C)C1 ZINC001164734267 720520467 /nfs/dbraw/zinc/52/04/67/720520467.db2.gz PCDMUAFQBALEHD-LJQANCHMSA-N 1 0 466.706 3.690 20 30 JHEDRO N#Cc1cc(Cl)ncc1C(F)(F)N1CCn2c(-c3cccnc3)cnc2C12CC[NH2+]CC2 ZINC001164844963 720742719 /nfs/dbraw/zinc/74/27/19/720742719.db2.gz WBKOWKLNKSJPFQ-UHFFFAOYSA-N 1 0 455.900 3.509 20 30 JHEDRO CCOC(=O)c1cc(C)nc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1C#N ZINC001164748472 720881236 /nfs/dbraw/zinc/88/12/36/720881236.db2.gz FEJFWLSIJDOTDP-QDPGVEIFSA-N 1 0 489.620 3.589 20 30 JHEDRO N#Cc1cc2c(nc1N1CC[C@]3(C1)C[N@H+](CC1CC1)C[C@@H]3COCc1cccnc1)CCCC2 ZINC001164752244 720909845 /nfs/dbraw/zinc/90/98/45/720909845.db2.gz NUKVOTDJBIJPCG-LEAFIULHSA-N 1 0 457.622 3.982 20 30 JHEDRO N#CCc1cnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c(Cl)c1 ZINC001164751304 720927443 /nfs/dbraw/zinc/92/74/43/720927443.db2.gz LDZAPCVAPQHJDH-WIOPSUGQSA-N 1 0 452.002 3.951 20 30 JHEDRO CSc1nc(-c2ccccc2)nc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1C#N ZINC001164866743 721108199 /nfs/dbraw/zinc/10/81/99/721108199.db2.gz UTXJQPCFEQWAQB-SFTDATJTSA-N 1 0 458.591 3.612 20 30 JHEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cc(F)c(C#N)cc4-c4ccnc(Cl)n4)C3)O2)CC1 ZINC001164886302 721414288 /nfs/dbraw/zinc/41/42/88/721414288.db2.gz IXHAFISSORGRBH-CLOONOSVSA-N 1 0 485.007 3.573 20 30 JHEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4nc5cc(F)ccc5c(Cl)c4C#N)C3)O2)CC1 ZINC001164890033 721452498 /nfs/dbraw/zinc/45/24/98/721452498.db2.gz QDHOEYRWZLOISP-UUOWRZLLSA-N 1 0 457.981 3.664 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(C#N)cnc3cnc(Cl)cc31)CC2 ZINC001164786608 721453557 /nfs/dbraw/zinc/45/35/57/721453557.db2.gz NGPVAXZKWNWLOZ-FQEVSTJZSA-N 1 0 470.017 3.889 20 30 JHEDRO Cc1cccc2nc(Cl)c(C#N)c(N3CC[C@@]4(C3)CCC[C@@H](C[NH+]3CCN(C)CC3)O4)c12 ZINC001164885909 721453824 /nfs/dbraw/zinc/45/38/24/721453824.db2.gz FWGOXPQLOGYHDI-UQBPGWFLSA-N 1 0 454.018 3.834 20 30 JHEDRO CN1CC[NH+](C[C@@H]2CCC[C@]3(CCN(c4nc5cc(F)c(F)cc5c(Cl)c4C#N)C3)O2)CC1 ZINC001164888365 721453897 /nfs/dbraw/zinc/45/38/97/721453897.db2.gz LSFVSBRWUZUCBD-UPCLLVRISA-N 1 0 475.971 3.803 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(-c3ccncc3)ccc1C#N)CC2 ZINC001164787519 721466850 /nfs/dbraw/zinc/46/68/50/721466850.db2.gz GIJAENYNTRSFMJ-XMMPIXPASA-N 1 0 461.610 3.749 20 30 JHEDRO CSc1nc(Cl)c(C#N)c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)n1 ZINC001164905027 721583438 /nfs/dbraw/zinc/58/34/38/721583438.db2.gz RQWQLEUXGRRSAX-LJQANCHMSA-N 1 0 450.946 3.856 20 30 JHEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164912937 721724409 /nfs/dbraw/zinc/72/44/09/721724409.db2.gz RINACHAHRWVAPL-DFBJGRDBSA-N 1 0 492.530 3.543 20 30 JHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(F)(F)[C@]2(CC[N@H+](Cc3ccccn3)C2)C1 ZINC001164912936 721724722 /nfs/dbraw/zinc/72/47/22/721724722.db2.gz RINACHAHRWVAPL-CLOONOSVSA-N 1 0 492.530 3.543 20 30 JHEDRO COc1cccc(OC)c1C[NH+]1CCC(N(C)c2ccc(C3(C#N)CCOCC3)cn2)CC1 ZINC001165022730 721843164 /nfs/dbraw/zinc/84/31/64/721843164.db2.gz SRUVHUBWRKKNTD-UHFFFAOYSA-N 1 0 450.583 3.771 20 30 JHEDRO CSc1nc(-c2ccccc2)nc(N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@H]3C2)c1C#N ZINC001164970977 722128117 /nfs/dbraw/zinc/12/81/17/722128117.db2.gz AZSJYFJKGPBVSD-GGAORHGYSA-N 1 0 472.618 3.859 20 30 JHEDRO N#Cc1cccc(Oc2nc(Cl)ncc2N2CC[C@@H]3C[N@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164974673 722155537 /nfs/dbraw/zinc/15/55/37/722155537.db2.gz OUIJYQZIEPOOTJ-NFBKMPQASA-N 1 0 476.968 3.916 20 30 JHEDRO COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC[C@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995466 722208355 /nfs/dbraw/zinc/20/83/55/722208355.db2.gz NUBCVQYJNBWATR-FNZWTVRRSA-N 1 0 459.525 3.794 20 30 JHEDRO CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)C[NH+]2CCCCC2)CCO1 ZINC001306632385 1069333703 /nfs/dbraw/zinc/33/37/03/1069333703.db2.gz LFMHVVMIEYSYGN-XUZZJYLKSA-N 1 0 466.630 3.856 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC001306681399 1069410404 /nfs/dbraw/zinc/41/04/04/1069410404.db2.gz LSAJOQMFAHCOBU-IBGZPJMESA-N 1 0 494.047 3.707 20 30 JHEDRO CCCC[N@H+](C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 ZINC001306682364 1069413203 /nfs/dbraw/zinc/41/32/03/1069413203.db2.gz FELVAMYMTNZCMM-FQEVSTJZSA-N 1 0 478.670 3.888 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 ZINC001306719573 1069453387 /nfs/dbraw/zinc/45/33/87/1069453387.db2.gz CVXCGMLDUMRJDQ-QHCPKHFHSA-N 1 0 463.630 3.677 20 30 JHEDRO CCCC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C#N ZINC001306723639 1069464203 /nfs/dbraw/zinc/46/42/03/1069464203.db2.gz TWRMWJUMBDXDIA-PZJWPPBQSA-N 1 0 452.603 3.967 20 30 JHEDRO CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2([NH+](C)C)CCCC2)C1 ZINC001306735031 1069498620 /nfs/dbraw/zinc/49/86/20/1069498620.db2.gz FRAYEPWGSZUXKK-HSZRJFAPSA-N 1 0 477.657 3.824 20 30 JHEDRO CCOC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC[N@@H+](C(C)C)CC2)CCCC1 ZINC001314152379 1069616277 /nfs/dbraw/zinc/61/62/77/1069616277.db2.gz LADCMLWHLIUMBZ-UHFFFAOYSA-N 1 0 466.630 3.999 20 30 JHEDRO CCC[N@H+](CC)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 ZINC001306807698 1069622120 /nfs/dbraw/zinc/62/21/20/1069622120.db2.gz YCUVSHRQPMKIJY-UHFFFAOYSA-N 1 0 467.618 3.606 20 30 JHEDRO CCC[NH+](CCC)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001307005088 1069700261 /nfs/dbraw/zinc/70/02/61/1069700261.db2.gz MUTPYFKLYCNGPM-VSGJHWFKSA-N 1 0 450.631 3.926 20 30 JHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N2CCC[C@](C)(C#N)C2)C1 ZINC001307037932 1069760051 /nfs/dbraw/zinc/76/00/51/1069760051.db2.gz XSIUGYLSPQWKDE-CJFMBICVSA-N 1 0 484.048 3.723 20 30 JHEDRO CCC[N@@H+]1CC[C@@H](Cn2c(COc3ccc(Br)cc3)nnc2N(C)C[C@H](C)C#N)C1 ZINC001307046866 1069786675 /nfs/dbraw/zinc/78/66/75/1069786675.db2.gz SCKGLCMDTFFHGJ-QZTJIDSGSA-N 1 0 475.435 3.947 20 30 JHEDRO CCC[N@@H+]1CCCC[C@@H]1Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 ZINC001307057250 1069833394 /nfs/dbraw/zinc/83/33/94/1069833394.db2.gz XFDBLKCBNWSZAA-VAMGGRTRSA-N 1 0 456.566 3.550 20 30 JHEDRO CCC[N@@H+]1CCCC[C@H]1Cn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N(C)[C@@H](C)CC#N ZINC001307063295 1069862689 /nfs/dbraw/zinc/86/26/89/1069862689.db2.gz PQXUQVVQJGSDQS-PMACEKPBSA-N 1 0 476.629 3.678 20 30 JHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(C)CCN(C(=O)OC(C)(C)C)CC1 ZINC001312358747 1069885362 /nfs/dbraw/zinc/88/53/62/1069885362.db2.gz JCTKZCPIKWXBKY-UHFFFAOYSA-N 1 0 457.619 3.669 20 30 JHEDRO COc1ccc(C[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C(C)(C)C)cc1 ZINC001307815364 1070195974 /nfs/dbraw/zinc/19/59/74/1070195974.db2.gz NICWAIBYAXQWQI-XMMPIXPASA-N 1 0 452.574 3.844 20 30 JHEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1cccc(F)c1 ZINC001307920148 1070242393 /nfs/dbraw/zinc/24/23/93/1070242393.db2.gz XKUPXJANKLXRCA-XXNSQIBZSA-N 1 0 460.594 3.951 20 30 JHEDRO CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001314402422 1070264528 /nfs/dbraw/zinc/26/45/28/1070264528.db2.gz FASJZKAMYMZSAM-ZJSXRUAMSA-N 1 0 466.630 3.776 20 30 JHEDRO Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC(O)(C[NH+]3CCCCC3)CC2)c1C#N ZINC001308149301 1070329362 /nfs/dbraw/zinc/32/93/62/1070329362.db2.gz JVTLDQYGFHTVKU-UHFFFAOYSA-N 1 0 455.647 3.733 20 30 JHEDRO CCCn1nc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H](C)[NH+](CC)CC)c2ccccc2c1=O ZINC001313456118 1070394801 /nfs/dbraw/zinc/39/48/01/1070394801.db2.gz SUMCQRCRMWYBAX-FQEVSTJZSA-N 1 0 490.656 3.925 20 30 JHEDRO CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001313467781 1070445368 /nfs/dbraw/zinc/44/53/68/1070445368.db2.gz SOHKRCHIRHLGNQ-VWNXMTODSA-N 1 0 477.657 3.680 20 30 JHEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001309064637 1070518025 /nfs/dbraw/zinc/51/80/25/1070518025.db2.gz QYZORQZZUAVLBZ-UHFFFAOYSA-N 1 0 457.339 3.526 20 30 JHEDRO CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NS(=O)(=O)c2cccc(Cl)c2C#N)CC1 ZINC001309116356 1070548776 /nfs/dbraw/zinc/54/87/76/1070548776.db2.gz VNJMXTNMKJJLMG-OAHLLOKOSA-N 1 0 450.967 3.532 20 30 JHEDRO C[C@H](NS(=O)(=O)c1c(C#N)sc2ccccc21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC001309136272 1070560370 /nfs/dbraw/zinc/56/03/70/1070560370.db2.gz UXAUSWZQKSGUJV-HNNXBMFYSA-N 1 0 458.584 3.703 20 30 JHEDRO CCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC001313520607 1070586264 /nfs/dbraw/zinc/58/62/64/1070586264.db2.gz DLHMRBPCRZBKAH-JWQCQUIFSA-N 1 0 480.657 3.959 20 30 JHEDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 ZINC001314628209 1070723417 /nfs/dbraw/zinc/72/34/17/1070723417.db2.gz HISUOBMZSCWXLO-JOCHJYFZSA-N 1 0 498.075 3.595 20 30 JHEDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C)(C#N)CC1 ZINC001314628210 1070723723 /nfs/dbraw/zinc/72/37/23/1070723723.db2.gz HISUOBMZSCWXLO-QFIPXVFZSA-N 1 0 498.075 3.595 20 30 JHEDRO C[NH+](C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001314648928 1070753798 /nfs/dbraw/zinc/75/37/98/1070753798.db2.gz QGCYHFMICVDEIB-LEWJYISDSA-N 1 0 491.596 3.816 20 30 JHEDRO Cn1cc(-c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H](c2ccccc2Cl)[NH+](C)C)cn1 ZINC001314652506 1070763735 /nfs/dbraw/zinc/76/37/35/1070763735.db2.gz ZMYGSGOWCLIROQ-HXUWFJFHSA-N 1 0 452.994 3.765 20 30 JHEDRO C[NH+](C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1)c1cccs1 ZINC001314657593 1070777335 /nfs/dbraw/zinc/77/73/35/1070777335.db2.gz YPUWJVBTKXVEBF-FQEVSTJZSA-N 1 0 478.670 3.824 20 30 JHEDRO C[NH+](C)CC(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 ZINC001314665140 1070796625 /nfs/dbraw/zinc/79/66/25/1070796625.db2.gz CGWCIHZLSNTEMJ-UHFFFAOYSA-N 1 0 481.645 3.856 20 30 JHEDRO CN(C)CC[NH+]1CCC(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(C#N)CC2)CC1 ZINC001314669768 1070808979 /nfs/dbraw/zinc/80/89/79/1070808979.db2.gz KUUANMAZAFGJPD-UHFFFAOYSA-N 1 0 474.028 3.751 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC001313656478 1070850475 /nfs/dbraw/zinc/85/04/75/1070850475.db2.gz CNCKDLXMOVCZQW-NQIIRXRSSA-N 1 0 467.618 3.650 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 ZINC001313669164 1070894428 /nfs/dbraw/zinc/89/44/28/1070894428.db2.gz STBNGEXKRXBQBX-STSQHVNTSA-N 1 0 463.602 3.522 20 30 JHEDRO CC[NH+](CC)[C@H](C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 ZINC001313669932 1070895682 /nfs/dbraw/zinc/89/56/82/1070895682.db2.gz GBPOBEATGOXSIJ-LJQANCHMSA-N 1 0 481.645 3.998 20 30 JHEDRO CC[NH+](CC)[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 ZINC001313674064 1070909911 /nfs/dbraw/zinc/90/99/11/1070909911.db2.gz MKKRLYIBBLSXRZ-SFTDATJTSA-N 1 0 496.637 3.836 20 30 JHEDRO COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NS(=O)(=O)Cc2ccc(C#N)cc2)cc1 ZINC001309749085 1070952656 /nfs/dbraw/zinc/95/26/56/1070952656.db2.gz IEJRSEKVBBPJKB-IZZNHLLZSA-N 1 0 461.587 3.654 20 30 JHEDRO CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1cccs1)[NH+](C)C ZINC001314739922 1070974257 /nfs/dbraw/zinc/97/42/57/1070974257.db2.gz JUOWNGWZQGEIRL-HXUWFJFHSA-N 1 0 486.605 3.798 20 30 JHEDRO CN(Cc1cn(C)nc1C(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1CC1([NH+](C)C)CCC1 ZINC001314762167 1071019540 /nfs/dbraw/zinc/01/95/40/1071019540.db2.gz HMWCGRBTMCMLSM-UHFFFAOYSA-N 1 0 472.519 3.690 20 30 JHEDRO CN(CCC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1([NH+](C)C)CCCC1 ZINC001314839845 1071185959 /nfs/dbraw/zinc/18/59/59/1071185959.db2.gz CHJFTHVKQGXPND-UHFFFAOYSA-N 1 0 466.630 3.856 20 30 JHEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 ZINC001310182806 1071188576 /nfs/dbraw/zinc/18/85/76/1071188576.db2.gz VQOPPHPASJWHIU-PAEYTKSYSA-N 1 0 451.637 3.522 20 30 JHEDRO CC[N@H+](CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1nncn1C)CCC(F)(F)F ZINC001313807744 1071230064 /nfs/dbraw/zinc/23/00/64/1071230064.db2.gz XKIVJNQCZOOHSA-LJQANCHMSA-N 1 0 487.534 3.561 20 30 JHEDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)Nc3ccc(OCc4cccc(C#N)c4)c(F)c3)CC2)C1 ZINC001310249016 1071236219 /nfs/dbraw/zinc/23/62/19/1071236219.db2.gz TZGDUXUCLJDNEM-QFIPXVFZSA-N 1 0 451.546 3.520 20 30 JHEDRO CC[N@H+](CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCCC2)C1)C(C)C ZINC001313820906 1071279877 /nfs/dbraw/zinc/27/98/77/1071279877.db2.gz WXJFGSYKVCJQTK-UHFFFAOYSA-N 1 0 452.603 3.608 20 30 JHEDRO Cn1cc(Br)cc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCC[NH+]1CCCC1 ZINC001314894913 1071327289 /nfs/dbraw/zinc/32/72/89/1071327289.db2.gz IRKOJWPKASEARM-OAQYLSRUSA-N 1 0 478.414 3.754 20 30 JHEDRO CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(CCOC)Cc1ccc(C#N)cc1 ZINC001313899877 1071508864 /nfs/dbraw/zinc/50/88/64/1071508864.db2.gz KWLAAPXMQPVITJ-PKTZIBPZSA-N 1 0 452.603 3.529 20 30 JHEDRO CC[N@@H+]1CCCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001313908332 1071529358 /nfs/dbraw/zinc/52/93/58/1071529358.db2.gz MFYCXEIQTVAHME-HXUWFJFHSA-N 1 0 493.553 3.714 20 30 JHEDRO CC[N@@H+]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C(=O)OC(C)(C)C)C2CC2)C[C@H]1C ZINC001313931110 1071590922 /nfs/dbraw/zinc/59/09/22/1071590922.db2.gz HDVKROMJQWKGMZ-LJQANCHMSA-N 1 0 479.629 3.747 20 30 JHEDRO CCN1CC[NH+](C[C@H](C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2cccc(C#N)c2)CC1 ZINC001313957268 1071660138 /nfs/dbraw/zinc/66/01/38/1071660138.db2.gz QFDSTZYMTMPMKE-NRFANRHFSA-N 1 0 451.663 3.648 20 30 JHEDRO CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCC[N@@H+]2CCC[C@@H](C)C2)c2ccccc2c1=O ZINC001313959175 1071666205 /nfs/dbraw/zinc/66/62/05/1071666205.db2.gz MCZYXVQSCPRUSC-NHCUHLMSSA-N 1 0 490.656 3.783 20 30 JHEDRO CCn1nc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H](CC(C)C)[NH+](C)C)c2ccccc2c1=O ZINC001313965824 1071684735 /nfs/dbraw/zinc/68/47/35/1071684735.db2.gz FRZAKSBDEFYNAK-DCFHFQCYSA-N 1 0 490.656 3.781 20 30 JHEDRO CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)CCOC1 ZINC001314111187 1072005054 /nfs/dbraw/zinc/00/50/54/1072005054.db2.gz HNSHIVCJBQOCSY-RPLLCQBOSA-N 1 0 480.657 3.926 20 30 JHEDRO CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@H](c2ccc(CC)cc2)[NH+](C)C)CCOC1 ZINC001314111181 1072005122 /nfs/dbraw/zinc/00/51/22/1072005122.db2.gz HNSHIVCJBQOCSY-IGKIAQTJSA-N 1 0 480.657 3.926 20 30 JHEDRO CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCC[NH+]2CCC(C)CC2)CCOC1 ZINC001314111027 1072005161 /nfs/dbraw/zinc/00/51/61/1072005161.db2.gz FPGNLWVDENPEED-VWLOTQADSA-N 1 0 458.651 3.572 20 30 JHEDRO CCc1ccc([C@H](Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)[NH+](C)C)cc1 ZINC001305922057 1068217513 /nfs/dbraw/zinc/21/75/13/1068217513.db2.gz YUEWCAZGNBQDIS-JLLPCOHGSA-N 1 0 480.657 3.791 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 ZINC001306317647 1068739259 /nfs/dbraw/zinc/73/92/59/1068739259.db2.gz AZBNYRZBYFEYQD-HSZRJFAPSA-N 1 0 477.657 3.776 20 30 JHEDRO CC[C@H]1CCCC[N@@H+]1CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C#N ZINC001306319231 1068744089 /nfs/dbraw/zinc/74/40/89/1068744089.db2.gz RLIQIBIDPIPOFP-AEFFLSMTSA-N 1 0 462.440 3.906 20 30 JHEDRO CC[C@@H]1CCCC[N@@H+]1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCCOC)C1 ZINC001306320861 1068750413 /nfs/dbraw/zinc/75/04/13/1068750413.db2.gz YAQZZEYGNDLPOI-RPWUZVMVSA-N 1 0 466.630 3.713 20 30 JHEDRO CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1)[NH+]1CCOCC1 ZINC001306409947 1068889493 /nfs/dbraw/zinc/88/94/93/1068889493.db2.gz LZPNGFFCZBTORC-NIJXNBFTSA-N 1 0 480.657 3.957 20 30 JHEDRO CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[N@@H+]2CCCC[C@@H]2CC)C1 ZINC001306498697 1069051080 /nfs/dbraw/zinc/05/10/80/1069051080.db2.gz KXOQYPDHTDWPGA-RPWUZVMVSA-N 1 0 477.657 3.966 20 30 JHEDRO CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC001306551469 1069215381 /nfs/dbraw/zinc/21/53/81/1069215381.db2.gz XVSGDECOERYXKN-NHCUHLMSSA-N 1 0 477.657 3.680 20 30 JHEDRO C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)Nc3ccc(Br)c(C#N)n3)cc2)C[C@H](C)O1 ZINC001311072153 1069264608 /nfs/dbraw/zinc/26/46/08/1069264608.db2.gz HHNYFTMRPTYYRF-GASCZTMLSA-N 1 0 458.360 3.647 20 30 JHEDRO CCCc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[N@H+](CC)[C@H](C)C2)o1 ZINC001306612618 1069291361 /nfs/dbraw/zinc/29/13/61/1069291361.db2.gz LXZMPGUAYRYVFY-GOSISDBHSA-N 1 0 463.586 3.556 20 30 JHEDRO CCOC(=O)[C@@H]1C[C@@H]2C[NH2+]C[C@H]2N1C(F)(F)c1ccc2nc(Cl)c(C#N)c(Cl)c2c1 ZINC001164614833 719020644 /nfs/dbraw/zinc/02/06/44/719020644.db2.gz GPXPJTROXVUWQJ-HPEXNQPKSA-N 1 0 455.292 3.688 20 30 JHEDRO COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ccc(C3(C#N)CCOCC3)cn1)CC2 ZINC001164714750 720136329 /nfs/dbraw/zinc/13/63/29/720136329.db2.gz YMGPAURZBFAHIU-XMMPIXPASA-N 1 0 461.610 3.556 20 30 JHEDRO C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2cnc(Cl)nc2Oc2ccc(C#N)cc2)CC1 ZINC001164825301 720352996 /nfs/dbraw/zinc/35/29/96/720352996.db2.gz JIWZKBRSFIHTCM-RTWAWAEBSA-N 1 0 481.000 3.705 20 30 JHEDRO Cc1ccc2nc(N3CC[C@H]4[C@H]3CCC(=O)N4CC3CC[NH+](C)CC3)c(C#N)c(Cl)c2c1 ZINC001164826485 720356544 /nfs/dbraw/zinc/35/65/44/720356544.db2.gz KDAVSPODCUXGCC-YADHBBJMSA-N 1 0 452.002 3.980 20 30 JHEDRO N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164866422 721197398 /nfs/dbraw/zinc/19/73/98/721197398.db2.gz ADQZUWMTPPTVAV-CVEARBPZSA-N 1 0 455.896 3.913 20 30 JHEDRO COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cnc(Cl)cc1C#N)CC2 ZINC001164785859 721464295 /nfs/dbraw/zinc/46/42/95/721464295.db2.gz OEVWUICSTKCPKD-LJQANCHMSA-N 1 0 468.976 3.885 20 30 JHEDRO CSc1nc(Cl)c(C=NO)c(N2CCC3(CC2)C[N@H+](Cc2ccc(C)cc2)CCO3)n1 ZINC001164940613 721923718 /nfs/dbraw/zinc/92/37/18/721923718.db2.gz UVWAWERRQCNBEZ-UHFFFAOYSA-N 1 0 462.019 3.840 20 30 JHEDRO COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@@]2(CC[N@@H+]2Cc2cccc(F)c2)C1 ZINC001164995480 722208583 /nfs/dbraw/zinc/20/85/83/722208583.db2.gz NUBCVQYJNBWATR-FQRUVTKNSA-N 1 0 459.525 3.794 20 30 JHEDRO