smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C(=O)/C=C\c2cc(O)c(O)c(Cl)c2)cc(OC)c1OC ZINC000207864905 934517705 /nfs/dbraw/zinc/51/77/05/934517705.db2.gz SZJWKDVWKKBRNR-PLNGDYQASA-N 0 0 364.781 3.673 50 30 FHEARN CN(/C(=N\S(=O)(=O)c1cccs1)c1ccccc1)c1ccc(O)cc1 ZINC000100528348 936166491 /nfs/dbraw/zinc/16/64/91/936166491.db2.gz WUQOBLLHKQLYFX-HNENSFHCSA-N 0 0 372.471 3.726 50 30 FHEARN COc1ccc([N+](=O)[O-])cc1N=Cc1cc(Br)ccc1O ZINC000252460917 938830919 /nfs/dbraw/zinc/83/09/19/938830919.db2.gz JDZGZZJACVSFLU-UHFFFAOYSA-N 0 0 351.156 3.822 50 30 FHEARN N#CC1(CS(=O)(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)CCCC1 ZINC000333140218 945308581 /nfs/dbraw/zinc/30/85/81/945308581.db2.gz YPBTWDFROJTNMT-STQMWFEESA-N 0 0 352.422 3.501 50 30 FHEARN COc1ccc2c(c1)[C@H](C(=O)N1CC=C(c3ccc(C#N)cc3)CC1)CC2 ZINC000581465701 940504599 /nfs/dbraw/zinc/50/45/99/940504599.db2.gz CSHYOICBNIVRMU-OAQYLSRUSA-N 0 0 358.441 3.913 50 30 FHEARN N#CCCN(C(=O)c1cc2n(n1)CCCC2)C12CC3CC(CC(C3)C1)C2 ZINC000333877024 945333063 /nfs/dbraw/zinc/33/30/63/945333063.db2.gz QQLLTPQWGGTTLF-UHFFFAOYSA-N 0 0 352.482 3.544 50 30 FHEARN Cn1nc(C(=O)N(CCC#N)C23CC4CC(CC(C4)C2)C3)c2c1CCCC2 ZINC000333916522 945340720 /nfs/dbraw/zinc/34/07/20/945340720.db2.gz ZSEYNRISAWUKMK-UHFFFAOYSA-N 0 0 366.509 3.624 50 30 FHEARN O=C(NCc1ccnc(OC2CCOCC2)c1)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000329802959 944287820 /nfs/dbraw/zinc/28/78/20/944287820.db2.gz KVSCONCGJWEBSI-RTBURBONSA-N 0 0 373.497 3.612 50 30 FHEARN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCC([C@@H]2CCCCO2)CC1 ZINC000596630845 946586443 /nfs/dbraw/zinc/58/64/43/946586443.db2.gz AORBGXSOHDGVMU-RTWAWAEBSA-N 0 0 367.493 3.926 50 30 FHEARN Cc1ccc(C)c(S(=O)(=O)/N=C(/c2ccc(Cl)cc2)N(C)C)c1 ZINC000102965654 947540814 /nfs/dbraw/zinc/54/08/14/947540814.db2.gz IRRCYYGJNJXSIK-ZPHPHTNESA-N 0 0 350.871 3.654 50 30 FHEARN N#Cc1ccc(C(=O)/C=C/c2cc3ccccc3nc2N2CCOCC2)cc1 ZINC000021558665 947752800 /nfs/dbraw/zinc/75/28/00/947752800.db2.gz BBBZMTNRRORHEY-MDZDMXLPSA-N 0 0 369.424 3.839 50 30 FHEARN C=CCN1c2ccccc2[C@@]2(Nc3cc(Cl)ccc3C(=O)N2CC)C1=O ZINC000058167462 203803541 /nfs/dbraw/zinc/80/35/41/203803541.db2.gz BGXHMXXHZSUPSW-FQEVSTJZSA-N 0 0 367.836 3.613 50 30 FHEARN C=CCN1C(=O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000002068600 203861007 /nfs/dbraw/zinc/86/10/07/203861007.db2.gz XUYIEWOPTWEJPG-PTNGSMBKSA-N 0 0 371.443 3.773 50 30 FHEARN NC(=O)CSc1ccccc1NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000089814332 203925794 /nfs/dbraw/zinc/92/57/94/203925794.db2.gz IPESFJNMCUVJIZ-UHFFFAOYSA-N 0 0 364.392 3.746 50 30 FHEARN N#CCCn1cc(C=C2SC(=S)NC2=O)c(-c2cccc(Cl)c2)n1 ZINC000009721237 203992432 /nfs/dbraw/zinc/99/24/32/203992432.db2.gz HZXXTZKQYDAHAC-JYRVWZFOSA-N 0 0 374.878 3.606 50 30 FHEARN C=CCc1cccc(C=NN2C(=S)N=NC2c2ccc(F)cc2)c1O ZINC000002389716 204036558 /nfs/dbraw/zinc/03/65/58/204036558.db2.gz HDFFVKRDGYAKET-RGVLZGJSSA-N 0 0 354.410 3.689 50 30 FHEARN COc1ccc(-c2cnc3c(C#N)cnn3c2-c2ccc(OC)cc2)cc1 ZINC000001393531 204003620 /nfs/dbraw/zinc/00/36/20/204003620.db2.gz XDOGNJLDFNSERQ-UHFFFAOYSA-N 0 0 356.385 3.952 50 30 FHEARN CN(C)N1C(=O)C[C@H](c2ccsc2)C2=C1C[C@H](c1ccccc1)CC2=O ZINC000001430120 204007511 /nfs/dbraw/zinc/00/75/11/204007511.db2.gz OPOMNMKPKBTHEG-DLBZAZTESA-N 0 0 366.486 3.941 50 30 FHEARN Cc1c(/N=C/C=C/c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C ZINC000001806164 204020127 /nfs/dbraw/zinc/02/01/27/204020127.db2.gz HUADMVQNJRNFTL-VZUGOBIKSA-N 0 0 362.389 3.808 50 30 FHEARN CCC(=O)NC1=NN2C(=NC(c3ccccc3)=C[C@H]2c2ccc(F)cc2)N1 ZINC000002257614 204030408 /nfs/dbraw/zinc/03/04/08/204030408.db2.gz QGQLJVJCWYLQET-KRWDZBQOSA-N 0 0 363.396 3.820 50 30 FHEARN Cc1nc2ccccc2c(=O)n1/N=C/c1c2c(ccc1O)oc1c2CCCC1 ZINC000002317725 204033803 /nfs/dbraw/zinc/03/38/03/204033803.db2.gz LPEZOVFEHBQZGJ-FSJBWODESA-N 0 0 373.412 3.918 50 30 FHEARN COC(=O)[C@H](C#N)c1nc2ccccc2nc1N(CC(C)C)CC(C)C ZINC000002318638 204033982 /nfs/dbraw/zinc/03/39/82/204033982.db2.gz CABGQAYWMOKQEX-OAHLLOKOSA-N 0 0 354.454 3.528 50 30 FHEARN Fc1ccc(NC(=S)N/N=C/c2cccc(Br)c2)cc1 ZINC000002506376 204043199 /nfs/dbraw/zinc/04/31/99/204043199.db2.gz UDAHFUOFZIPTIW-RQZCQDPDSA-N 0 0 352.232 3.909 50 30 FHEARN CCCCN(CCCC)c1nc2ccccc2nc1[C@H](C#N)C(=O)OC ZINC000002347177 204034840 /nfs/dbraw/zinc/03/48/40/204034840.db2.gz VGOZTVONWLOFNF-HNNXBMFYSA-N 0 0 354.454 3.817 50 30 FHEARN N#CCc1ccc(NC(=O)c2ccc(I)cc2)cc1 ZINC000002874796 204065126 /nfs/dbraw/zinc/06/51/26/204065126.db2.gz WOXYNASAIJSTCT-UHFFFAOYSA-N 0 0 362.170 3.610 50 30 FHEARN C=CCSC1=N/C(=C\c2ccc(OC)c(OC)c2OC)C(=O)S1 ZINC000003000956 204072837 /nfs/dbraw/zinc/07/28/37/204072837.db2.gz UJFNSDOFLTYQEH-LUAWRHEFSA-N 0 0 351.449 3.602 50 30 FHEARN O=C(ON(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000003065573 204077405 /nfs/dbraw/zinc/07/74/05/204077405.db2.gz SOCMUNGQIQQHSA-UHFFFAOYSA-N 0 0 353.399 3.654 50 30 FHEARN NC1=C(c2ccccc2)C(=O)CN1c1ccc(Br)c(Cl)c1 ZINC000003268667 204085724 /nfs/dbraw/zinc/08/57/24/204085724.db2.gz SYIPDMJFRMTSIY-UHFFFAOYSA-N 0 0 363.642 3.819 50 30 FHEARN COc1ccc(-n2c(SCC#N)nnc2-c2ccccc2OC)cc1 ZINC000002646942 204048796 /nfs/dbraw/zinc/04/87/96/204048796.db2.gz RUBCBGIHYYQBLV-UHFFFAOYSA-N 0 0 352.419 3.567 50 30 FHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(C(F)(F)F)nn3C)sc2C1 ZINC000002743675 204054503 /nfs/dbraw/zinc/05/45/03/204054503.db2.gz YMQPCMIRSKAXQU-MRVPVSSYSA-N 0 0 368.384 3.749 50 30 FHEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cc(C(F)(F)F)nn3C)sc2C1 ZINC000002743674 204054875 /nfs/dbraw/zinc/05/48/75/204054875.db2.gz YMQPCMIRSKAXQU-QMMMGPOBSA-N 0 0 368.384 3.749 50 30 FHEARN CCc1sc(-c2nnc(SCC#N)n2CC)cc1Br ZINC000002788944 204056610 /nfs/dbraw/zinc/05/66/10/204056610.db2.gz HLFFOCNEPZZOLM-UHFFFAOYSA-N 0 0 357.302 3.967 50 30 FHEARN N#Cc1c(NC(=O)c2cc(=O)c3ccccc3o2)sc2c1CCCC2 ZINC000003892569 204113277 /nfs/dbraw/zinc/11/32/77/204113277.db2.gz ZPTCNXHUIWZYSE-UHFFFAOYSA-N 0 0 350.399 3.857 50 30 FHEARN CCOC(=O)C1=C(C)NC(=Cc2cc(C)n(-c3ccc(F)cc3)c2C)C1=O ZINC000004115474 204121519 /nfs/dbraw/zinc/12/15/19/204121519.db2.gz BERDWZSQGYIDJR-WOJGMQOQSA-N 0 0 368.408 3.584 50 30 FHEARN CC(=O)N(Cc1ccc(F)cc1)C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000004108599 204121908 /nfs/dbraw/zinc/12/19/08/204121908.db2.gz RBHSGUJNAQHYGS-UHFFFAOYSA-N 0 0 357.768 3.704 50 30 FHEARN CCCCOC(=O)c1ccc(NN=C2C(=O)N(C)C(=O)C(C#N)=C2C)cc1 ZINC000004171161 204124601 /nfs/dbraw/zinc/12/46/01/204124601.db2.gz BUUMXNSRPJEWFB-QURGRASLSA-N 0 0 368.393 3.643 50 30 FHEARN Cc1ccc(S(=O)(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1 ZINC000004209657 204127269 /nfs/dbraw/zinc/12/72/69/204127269.db2.gz PINKCJQTXUFJAN-YBFXNURJSA-N 0 0 359.838 3.509 50 30 FHEARN COc1ccc(OCc2nnc(S[C@H](C)C#N)n2-c2ccccc2)cc1 ZINC000003354676 204093415 /nfs/dbraw/zinc/09/34/15/204093415.db2.gz HIQMVESLIROEFW-CQSZACIVSA-N 0 0 366.446 3.859 50 30 FHEARN N#Cc1c(NC(=S)NC(=O)c2ccc(Cl)cc2)sc2c1CCC2 ZINC000004699761 204156757 /nfs/dbraw/zinc/15/67/57/204156757.db2.gz OAQWVKBSLYZKLL-UHFFFAOYSA-N 0 0 361.879 3.889 50 30 FHEARN O=C1Nc2ccc(Br)cc2C1=NNc1cccc(Cl)c1 ZINC000004719482 204157610 /nfs/dbraw/zinc/15/76/10/204157610.db2.gz VLMBIZDTOPKEGK-UHFFFAOYSA-N 0 0 350.603 3.871 50 30 FHEARN COc1cc(Br)cc(C=NNc2ccc([N+](=O)[O-])cc2)c1O ZINC000004739386 204159851 /nfs/dbraw/zinc/15/98/51/204159851.db2.gz WMAJWYDNMWUTLX-LZYBPNLTSA-N 0 0 366.171 3.518 50 30 FHEARN O=[N+]([O-])c1ccc(N=NCc2ccc(Br)cc2)c([N+](=O)[O-])c1 ZINC000004775458 204163085 /nfs/dbraw/zinc/16/30/85/204163085.db2.gz SFVBWARTAYZWKI-OVCLIPMQSA-N 0 0 365.143 3.712 50 30 FHEARN N#CCCN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000004323802 204132511 /nfs/dbraw/zinc/13/25/11/204132511.db2.gz LNZVUUQDGZSSGE-UHFFFAOYSA-N 0 0 371.300 3.686 50 30 FHEARN CC(=O)N(C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O)C1CCCC1 ZINC000004362455 204136000 /nfs/dbraw/zinc/13/60/00/204136000.db2.gz XODMBOGZYXVPQL-UHFFFAOYSA-N 0 0 366.461 3.554 50 30 FHEARN CCSc1nc2n(n1)[C@H](c1ccc(CC)cc1)C1C(=O)CCCC1=N2 ZINC000004436153 204138781 /nfs/dbraw/zinc/13/87/81/204138781.db2.gz IXOZWQFQYRPIAZ-QGZVFWFLSA-N 0 0 354.479 3.975 50 30 FHEARN O=C1CCCC2=C1[C@@H](c1ccco1)c1c3nc(-c4ccco4)nn3cnc1O2 ZINC000005346807 204205078 /nfs/dbraw/zinc/20/50/78/204205078.db2.gz KOJIOEXRFFUSTD-MRXNPFEDSA-N 0 0 374.356 3.509 50 30 FHEARN Cc1ccc([C@@H]2NC(=O)C(O)=C2C(=O)c2ccc(Br)cc2)cc1 ZINC000005446308 204209062 /nfs/dbraw/zinc/20/90/62/204209062.db2.gz ITKZKPWOBLYASJ-HNNXBMFYSA-N 0 0 372.218 3.623 50 30 FHEARN CCSc1nnc(S[C@@H](C)C(=O)Nc2ccc(C#N)cc2)s1 ZINC000005450477 204209986 /nfs/dbraw/zinc/20/99/86/204209986.db2.gz NRSQIYGQLBRJJB-VIFPVBQESA-N 0 0 350.494 3.641 50 30 FHEARN N#Cc1cccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)c1 ZINC000005507965 204212463 /nfs/dbraw/zinc/21/24/63/204212463.db2.gz ZFKXBAZLWLVNRC-UHFFFAOYSA-N 0 0 356.381 3.807 50 30 FHEARN Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)c1C ZINC000005551721 204214597 /nfs/dbraw/zinc/21/45/97/204214597.db2.gz POSATMGZDJDXJM-MFOYZWKCSA-N 0 0 352.415 3.924 50 30 FHEARN CCOC(=O)c1sc(NC(=O)c2cccc(C)c2OC)c(C#N)c1C ZINC000004870400 204171829 /nfs/dbraw/zinc/17/18/29/204171829.db2.gz KVWODKCSEJJHNA-UHFFFAOYSA-N 0 0 358.419 3.674 50 30 FHEARN O=C(C(=NNc1ccc(F)cc1)c1nc2ccccc2o1)C(F)(F)F ZINC000004871999 204172037 /nfs/dbraw/zinc/17/20/37/204172037.db2.gz QFVMKWZXXLQEQB-YDZHTSKRSA-N 0 0 351.259 3.915 50 30 FHEARN O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000004914120 204175772 /nfs/dbraw/zinc/17/57/72/204175772.db2.gz AFZFNIMBAMPYFQ-TZMCWYRMSA-N 0 0 368.414 3.661 50 30 FHEARN O=C1C[C@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004914687 204175886 /nfs/dbraw/zinc/17/58/86/204175886.db2.gz BTAMLTLRATZKSX-RHSMWYFYSA-N 0 0 353.368 3.969 50 30 FHEARN COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 ZINC000004915961 204175987 /nfs/dbraw/zinc/17/59/87/204175987.db2.gz MTQALQBWUDTCSZ-HIFRSBDPSA-N 0 0 353.443 3.761 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1cc(OC)ccc1OC ZINC000004919620 204176380 /nfs/dbraw/zinc/17/63/80/204176380.db2.gz LLOZZLVCMMMTEU-JXFKEZNVSA-N 0 0 370.401 3.616 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004919578 204176573 /nfs/dbraw/zinc/17/65/73/204176573.db2.gz ZISQYMBZBZMMEZ-QAPCUYQASA-N 0 0 355.346 3.507 50 30 FHEARN CCCC1CCC(=NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000004979824 204182393 /nfs/dbraw/zinc/18/23/93/204182393.db2.gz JRPBZWZJYRPLCT-UHFFFAOYSA-N 0 0 353.444 3.528 50 30 FHEARN COc1ccccc1/C=N/N=C1/NC(=O)C(Cc2ccccc2Cl)S1 ZINC000005047602 204187993 /nfs/dbraw/zinc/18/79/93/204187993.db2.gz ZUGBDQPBYHKPBD-MBTVCVBTSA-N 0 0 373.865 3.513 50 30 FHEARN Cc1ccccc1C[C@@H]1S/C(=N\N=C\c2ccccc2Cl)NC1=O ZINC000005047802 204188366 /nfs/dbraw/zinc/18/83/66/204188366.db2.gz QWABAKKYTBHWBH-YODDIOPGSA-N 0 0 357.866 3.813 50 30 FHEARN Cc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000005646493 204219262 /nfs/dbraw/zinc/21/92/62/204219262.db2.gz HDTQQLALTYIKID-NRFANRHFSA-N 0 0 373.456 3.997 50 30 FHEARN Cc1ccccc1[C@@H]1C(C(=O)Nc2ccccn2)=C(C)NC2=C1C(=O)CCC2 ZINC000005646571 204219655 /nfs/dbraw/zinc/21/96/55/204219655.db2.gz FEBHLVREBIFVGE-OAQYLSRUSA-N 0 0 373.456 3.997 50 30 FHEARN CSCC[C@H](NC(=O)c1ccc(C#N)cc1)c1nc2ccccc2[nH]1 ZINC000005827132 204227377 /nfs/dbraw/zinc/22/73/77/204227377.db2.gz SYTHOHVHZOXKIZ-KRWDZBQOSA-N 0 0 350.447 3.659 50 30 FHEARN O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccccc1)c1ccccc1 ZINC000005888569 204229101 /nfs/dbraw/zinc/22/91/01/204229101.db2.gz XKZCGFUZTXRXIQ-INIZCTEOSA-N 0 0 362.410 3.926 50 30 FHEARN O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000005888515 204229977 /nfs/dbraw/zinc/22/99/77/204229977.db2.gz XKZCGFUZTXRXIQ-MRXNPFEDSA-N 0 0 362.410 3.926 50 30 FHEARN N#Cc1ccc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)cc1 ZINC000006225218 204242308 /nfs/dbraw/zinc/24/23/08/204242308.db2.gz CIVPXGNFDJDIPM-OQLLNIDSSA-N 0 0 353.175 3.665 50 30 FHEARN N#Cc1cccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000006328795 204244653 /nfs/dbraw/zinc/24/46/53/204244653.db2.gz MUFKJPXDTJSECB-UHFFFAOYSA-N 0 0 358.753 3.614 50 30 FHEARN N#CCCSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3 ZINC000006365348 204246243 /nfs/dbraw/zinc/24/62/43/204246243.db2.gz OZJFCNDREXNVQD-UHFFFAOYSA-N 0 0 371.487 3.984 50 30 FHEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccccc2)c1 ZINC000006420917 204247992 /nfs/dbraw/zinc/24/79/92/204247992.db2.gz CJTSOEGNQYXLKQ-OAQYLSRUSA-N 0 0 373.456 3.997 50 30 FHEARN CC(C)c1nc(C#N)c(N=NCc2coc3ccc(Cl)cc3c2=O)o1 ZINC000006633926 204256929 /nfs/dbraw/zinc/25/69/29/204256929.db2.gz SSURSAARZQDJMH-IFRROFPPSA-N 0 0 356.769 3.875 50 30 FHEARN COc1cc(/C=C2\S/C(=N/c3ccc(C)c(C)c3)NC2=O)ccc1O ZINC000006923816 204282765 /nfs/dbraw/zinc/28/27/65/204282765.db2.gz ZRFZGTOJHCIEOM-YVLHZVERSA-N 0 0 354.431 3.909 50 30 FHEARN Cc1cc(C(=O)CSc2ncccc2C#N)c(C)n1Cc1ccco1 ZINC000007051906 204288492 /nfs/dbraw/zinc/28/84/92/204288492.db2.gz VOMZCCFFLUNZRB-UHFFFAOYSA-N 0 0 351.431 3.988 50 30 FHEARN CNC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000007359588 204294759 /nfs/dbraw/zinc/29/47/59/204294759.db2.gz NRDADOZHVSYYLU-UHFFFAOYSA-N 0 0 357.382 3.539 50 30 FHEARN COc1cccc(-n2c(N)c(C#N)c3c(c2=S)CO[C@H](C(C)C)C3)c1 ZINC000006673705 204260706 /nfs/dbraw/zinc/26/07/06/204260706.db2.gz VHTJUCJRFIBUMY-KRWDZBQOSA-N 0 0 355.463 3.767 50 30 FHEARN CCCN1c2ccccc2/C(=N/NC(=S)Nc2cccc(CC)c2)C1=O ZINC000006708960 204261986 /nfs/dbraw/zinc/26/19/86/204261986.db2.gz NLTMPXPKRCIUII-PYCFMQQDSA-N 0 0 366.490 3.696 50 30 FHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3cnn(-c4ccccc4)n3)sc2C1 ZINC000007717878 204303930 /nfs/dbraw/zinc/30/39/30/204303930.db2.gz POAHJSJSFSEWMB-GFCCVEGCSA-N 0 0 363.446 3.578 50 30 FHEARN N#Cc1cccc(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)c1 ZINC000007807736 204307731 /nfs/dbraw/zinc/30/77/31/204307731.db2.gz YIHVZQLKLLVMEZ-UHFFFAOYSA-N 0 0 372.428 3.637 50 30 FHEARN Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3C#N)CC2=O)cc1Cl ZINC000008218544 204321881 /nfs/dbraw/zinc/32/18/81/204321881.db2.gz MNSFQXRZWKZAKF-CQSZACIVSA-N 0 0 353.809 3.512 50 30 FHEARN O=[N+]([O-])c1cccc(-n2cccc2/C=N/NC(=S)Nc2ccccc2)c1 ZINC000008306581 204325287 /nfs/dbraw/zinc/32/52/87/204325287.db2.gz ORWQAAAADPKHTB-CPNJWEJPSA-N 0 0 365.418 3.706 50 30 FHEARN COc1cc(C#N)ccc1O[C@H](C)C(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000008335363 204327790 /nfs/dbraw/zinc/32/77/90/204327790.db2.gz IZCLKOXHQXVAFP-CQSZACIVSA-N 0 0 366.417 3.812 50 30 FHEARN FC(F)Oc1ccc(NC(=S)NC[C@H]2COc3ccccc3O2)cc1 ZINC000008685134 204338676 /nfs/dbraw/zinc/33/86/76/204338676.db2.gz DQSUESGBYAWOHB-ZDUSSCGKSA-N 0 0 366.389 3.826 50 30 FHEARN CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/NC2CCCCC2)C1=O ZINC000008676799 204338902 /nfs/dbraw/zinc/33/89/02/204338902.db2.gz QTVFMUAMTKEIME-QINSGFPZSA-N 0 0 353.418 3.796 50 30 FHEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCOCC4)o3)o2)cc1 ZINC000008844487 204345675 /nfs/dbraw/zinc/34/56/75/204345675.db2.gz NPVHEZLGSOYHHS-UHFFFAOYSA-N 0 0 365.389 3.530 50 30 FHEARN O=C1c2ccccc2C2=C1[C@H](c1ccc3c(c1)OCO3)C1=C(CCCC1=O)N2 ZINC000008973586 204349780 /nfs/dbraw/zinc/34/97/80/204349780.db2.gz XSLCJNBVGDBGBE-LJQANCHMSA-N 0 0 371.392 3.717 50 30 FHEARN COc1ccc(-c2nc(NC(=O)c3ccc(C)c(F)c3)n[nH]2)cc1OC ZINC000009414719 204366995 /nfs/dbraw/zinc/36/69/95/204366995.db2.gz VIZRWSRELHLUOZ-UHFFFAOYSA-N 0 0 356.357 3.573 50 30 FHEARN COc1ccc(-c2csc(NC(=O)c3c(C)noc3C)n2)cc1CC#N ZINC000009458067 204367746 /nfs/dbraw/zinc/36/77/46/204367746.db2.gz DVZCVQIVACLXHG-UHFFFAOYSA-N 0 0 368.418 3.742 50 30 FHEARN N#Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2C2CC2)cc1Cl ZINC000009832093 204383603 /nfs/dbraw/zinc/38/36/03/204383603.db2.gz VHCYRJDSSSASEX-UHFFFAOYSA-N 0 0 373.869 3.746 50 30 FHEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccc2ccccc2c1 ZINC000009954599 204387319 /nfs/dbraw/zinc/38/73/19/204387319.db2.gz YYYIZKKNNDXHTC-UHFFFAOYSA-N 0 0 373.456 3.608 50 30 FHEARN COc1ccccc1/C=N/N=C1/NC(=O)[C@@H](Cc2ccc(Cl)cc2)S1 ZINC000018208983 204662451 /nfs/dbraw/zinc/66/24/51/204662451.db2.gz SBCYEOYGZPBVSA-MBTVCVBTSA-N 0 0 373.865 3.513 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 ZINC000019534974 204688400 /nfs/dbraw/zinc/68/84/00/204688400.db2.gz UEGHFMPNCMSKHD-LJQANCHMSA-N 0 0 369.461 3.862 50 30 FHEARN N#Cc1cccc(S(=O)(=O)Oc2ccc(Oc3ccccn3)cc2)c1 ZINC000022844915 204788982 /nfs/dbraw/zinc/78/89/82/204788982.db2.gz NULKUUVEXUTYPV-UHFFFAOYSA-N 0 0 352.371 3.513 50 30 FHEARN N#Cc1nc(C2CC2)oc1N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000032827782 204940688 /nfs/dbraw/zinc/94/06/88/204940688.db2.gz FTGOCYHSRKGYLN-UHFFFAOYSA-N 0 0 360.820 3.538 50 30 FHEARN CCC1N=NC(=S)N1N=Cc1ccc(COc2ccc(Cl)cc2)o1 ZINC000036611327 205017643 /nfs/dbraw/zinc/01/76/43/205017643.db2.gz QDCAHTHAEOQOPH-GIJQJNRQSA-N 0 0 362.842 3.837 50 30 FHEARN COc1cc(C#N)ccc1OC(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000044310288 205108301 /nfs/dbraw/zinc/10/83/01/205108301.db2.gz IWAPRSFKRZRFFJ-UHFFFAOYSA-N 0 0 353.765 3.625 50 30 FHEARN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(N2CCCC2=O)c1 ZINC000045404336 205120915 /nfs/dbraw/zinc/12/09/15/205120915.db2.gz KJPADRPDWJBGDP-UHFFFAOYSA-N 0 0 361.445 3.737 50 30 FHEARN Cc1cc2cc(NC(=O)C3CCN(c4ccc(C#N)cn4)CC3)ccc2[nH]1 ZINC000048234606 205154104 /nfs/dbraw/zinc/15/41/04/205154104.db2.gz INOWMBRWBATPQM-UHFFFAOYSA-N 0 0 359.433 3.598 50 30 FHEARN N#Cc1ccccc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364483 205182263 /nfs/dbraw/zinc/18/22/63/205182263.db2.gz SLSIQWVGWZJBLL-KRWDZBQOSA-N 0 0 355.397 3.717 50 30 FHEARN Cc1ccc(/C=N/N=C2\S[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000051366809 205182268 /nfs/dbraw/zinc/18/22/68/205182268.db2.gz GWKGJNDKCUCJBS-WNSZDWCQSA-N 0 0 355.438 3.988 50 30 FHEARN CC(C)(C)C(=O)N1CCC(=NOCc2coc(-c3ccccc3)n2)CC1 ZINC000054209157 205199529 /nfs/dbraw/zinc/19/95/29/205199529.db2.gz ZBAGHNJGOSYCQQ-UHFFFAOYSA-N 0 0 355.438 3.883 50 30 FHEARN N#Cc1nc(-c2ccc(F)cc2)oc1N1CCN(Cc2ccccc2)CC1 ZINC000054061433 205197884 /nfs/dbraw/zinc/19/78/84/205197884.db2.gz VXXCFFIKNWVKRJ-UHFFFAOYSA-N 0 0 362.408 3.675 50 30 FHEARN C[C@@H](c1ccccn1)N(C(=O)CSCc1ccc(C#N)cc1)C1CC1 ZINC000057514090 205240820 /nfs/dbraw/zinc/24/08/20/205240820.db2.gz YOXUBACEJRISCP-HNNXBMFYSA-N 0 0 351.475 3.939 50 30 FHEARN Cc1cccc(-c2cc3n(n2)CCCN(C(=O)c2cccc(C#N)c2)C3)c1 ZINC000065225252 205325317 /nfs/dbraw/zinc/32/53/17/205325317.db2.gz PKJFOTNNLOQJHE-UHFFFAOYSA-N 0 0 356.429 3.776 50 30 FHEARN Cc1cccc([C@]2(O)c3ccccc3N(Cc3cccc(C#N)c3)C2=O)c1 ZINC000065155003 205320373 /nfs/dbraw/zinc/32/03/73/205320373.db2.gz PBHBBQSFUCCENX-QHCPKHFHSA-N 0 0 354.409 3.649 50 30 FHEARN CC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 ZINC000067350838 205371207 /nfs/dbraw/zinc/37/12/07/205371207.db2.gz UKXAAUBHBIUMCT-UZYVYHOESA-N 0 0 356.765 3.717 50 30 FHEARN CC(C)c1nccn1CCCNC(=O)c1ccc(-c2ccccc2C#N)nc1 ZINC000067562846 205374644 /nfs/dbraw/zinc/37/46/44/205374644.db2.gz RWSUYWAWRNFLPV-UHFFFAOYSA-N 0 0 373.460 3.760 50 30 FHEARN N#Cc1c(N)nc(-c2cccc(O)c2)cc1-c1c[nH]nc1-c1ccccc1 ZINC000067695151 205384354 /nfs/dbraw/zinc/38/43/54/205384354.db2.gz IZKKKLWXWDFPAC-UHFFFAOYSA-N 0 0 353.385 3.965 50 30 FHEARN O=C1CCCC2=C1[C@H](c1ccc3c(c1)OCO3)c1cc3c(cc1N2)OCO3 ZINC000018197411 220228025 /nfs/dbraw/zinc/22/80/25/220228025.db2.gz ZHINEQCENCJWFK-HXUWFJFHSA-N 0 0 363.369 3.709 50 30 FHEARN Cc1cccc(C)c1-n1nnnc1C(C)(C)/N=C/c1cccc([N+](=O)[O-])c1 ZINC000101941150 205968422 /nfs/dbraw/zinc/96/84/22/205968422.db2.gz YZXLLUMCGCTLIG-UDWIEESQSA-N 0 0 364.409 3.542 50 30 FHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)COc3ccccc3[N+](=O)[O-])sc2C1 ZINC000000947401 206143199 /nfs/dbraw/zinc/14/31/99/206143199.db2.gz QELZVIGNUYBRBN-LLVKDONJSA-N 0 0 371.418 3.670 50 30 FHEARN CCN1C(=O)/C(=C/c2ccc(COc3ccc(C#N)cc3)o2)SC1=S ZINC000001016016 206144299 /nfs/dbraw/zinc/14/42/99/206144299.db2.gz BXRIOASLIJWFHD-SXGWCWSVSA-N 0 0 370.455 3.951 50 30 FHEARN N#Cc1cc(F)c(C(=O)Nc2cnn(-c3ccccc3Cl)c2)c(F)c1 ZINC000133831430 206128754 /nfs/dbraw/zinc/12/87/54/206128754.db2.gz GNCFWRGCSVBDRL-UHFFFAOYSA-N 0 0 358.735 3.928 50 30 FHEARN N#Cc1c(NC(=O)COC(=O)c2ccc(Cl)cc2)sc2c1CCC2 ZINC000000812732 206134787 /nfs/dbraw/zinc/13/47/87/206134787.db2.gz PZCBLOMWIYYKSF-UHFFFAOYSA-N 0 0 360.822 3.557 50 30 FHEARN COc1ccc([C@H](C#N)Cc2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000002124052 206153853 /nfs/dbraw/zinc/15/38/53/206153853.db2.gz MFEONICBEYWTEG-HNNXBMFYSA-N 0 0 357.406 3.579 50 30 biogenic FHEARN CCc1nnc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)s1 ZINC000004959846 206186740 /nfs/dbraw/zinc/18/67/40/206186740.db2.gz YYIMOCHVJWPBHI-UHFFFAOYSA-N 0 0 369.475 3.560 50 30 FHEARN N#Cc1ccccc1CSc1nnc(Cc2cccc3ccccc32)n1N ZINC000005224758 206192710 /nfs/dbraw/zinc/19/27/10/206192710.db2.gz LBJXBMCTQJSXDW-UHFFFAOYSA-N 0 0 371.469 3.900 50 30 FHEARN Cc1ccc(-c2nc(S[C@H](C)C(=O)Nc3cccc(C#N)c3)n[nH]2)cc1 ZINC000005867269 206199587 /nfs/dbraw/zinc/19/95/87/206199587.db2.gz VTYFQSZCJCMRHL-CYBMUJFWSA-N 0 0 363.446 3.771 50 30 FHEARN N#Cc1ccc(OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000006333094 206200650 /nfs/dbraw/zinc/20/06/50/206200650.db2.gz BLPUTPXGTIXOCR-UHFFFAOYSA-N 0 0 352.724 3.831 50 30 FHEARN Cc1ccc(S(=O)(=O)N=C(Nc2ccc(O)cc2)c2ccccc2)cc1 ZINC000006023491 206201134 /nfs/dbraw/zinc/20/11/34/206201134.db2.gz FQIMMVZZDUKVLC-UHFFFAOYSA-N 0 0 366.442 3.948 50 30 FHEARN N#Cc1ccccc1COC(=O)COc1ccc(F)cc1Br ZINC000007730807 206211695 /nfs/dbraw/zinc/21/16/95/206211695.db2.gz UZRNFHMFNYUQAH-UHFFFAOYSA-N 0 0 364.170 3.582 50 30 FHEARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1 ZINC000006507667 206201797 /nfs/dbraw/zinc/20/17/97/206201797.db2.gz BIRDPSBADHBSET-UHFFFAOYSA-N 0 0 362.414 3.892 50 30 FHEARN CC(C)(C)C1CCC(C#N)(NC(=O)c2cccc(N3CCOC3=O)c2)CC1 ZINC000170597551 206271503 /nfs/dbraw/zinc/27/15/03/206271503.db2.gz DOCKNLCLNKQFBY-UHFFFAOYSA-N 0 0 369.465 3.872 50 30 FHEARN C=CCOc1ccc(C(=O)NCc2ccc(OC(F)F)cc2)cc1OC ZINC000011516106 206283791 /nfs/dbraw/zinc/28/37/91/206283791.db2.gz SPKSWASGNIDXBY-UHFFFAOYSA-N 0 0 363.360 3.791 50 30 FHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000011760508 206285312 /nfs/dbraw/zinc/28/53/12/206285312.db2.gz HRXSVYSDFFCKAH-UHFFFAOYSA-N 0 0 363.373 3.664 50 30 FHEARN N#Cc1cccc(S(=O)(=O)N[C@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000012793245 206296742 /nfs/dbraw/zinc/29/67/42/206296742.db2.gz ASLCODXNEBXSOV-SFHVURJKSA-N 0 0 372.446 3.827 50 30 FHEARN COc1cc(C#N)ccc1OS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C ZINC000016084401 206317894 /nfs/dbraw/zinc/31/78/94/206317894.db2.gz QHJSNYIHTJMKGF-UHFFFAOYSA-N 0 0 359.447 3.877 50 30 FHEARN O=S(=O)(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000016791084 206320621 /nfs/dbraw/zinc/32/06/21/206320621.db2.gz RMSJOOGBQKUVOU-UNOMPAQXSA-N 0 0 360.822 3.912 50 30 FHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000019207970 206324379 /nfs/dbraw/zinc/32/43/79/206324379.db2.gz AELWUEBYALHNCX-UHFFFAOYSA-N 0 0 371.299 3.824 50 30 FHEARN CC1CCN(CN2c3ccccc3/C(=N/c3ccc(F)cc3)C2=O)CC1 ZINC000022022808 206365848 /nfs/dbraw/zinc/36/58/48/206365848.db2.gz BPILFSKGZLGKSU-ATJXCDBQSA-N 0 0 351.425 3.983 50 30 FHEARN COc1cc(C#N)ccc1OCCCC(=O)N(C)Cc1ccc(C)cc1 ZINC000032930866 220702613 /nfs/dbraw/zinc/70/26/13/220702613.db2.gz HJRVIQYOINBHDH-UHFFFAOYSA-N 0 0 352.434 3.693 50 30 FHEARN C=CCNc1nnc(SCC(=O)N2c3ccccc3CC[C@H]2C)s1 ZINC000012613463 132373479 /nfs/dbraw/zinc/37/34/79/132373479.db2.gz KXSQNVNEOGRQHW-GFCCVEGCSA-N 0 0 360.508 3.596 50 30 FHEARN C=CCN1c2ccc(C(=O)NC(C)(C)C)cc2-c2ccccc2S1(=O)=O ZINC000033271871 132374368 /nfs/dbraw/zinc/37/43/68/132374368.db2.gz IFLIYMLMBFEKBH-UHFFFAOYSA-N 0 0 370.474 3.577 50 30 FHEARN C=CCOc1ccc([C@@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)OC3)cc1 ZINC000035143146 132374430 /nfs/dbraw/zinc/37/44/30/132374430.db2.gz YUYFXZTVWKLNPG-SFHVURJKSA-N 0 0 361.397 3.583 50 30 FHEARN N#Cc1cc(Oc2nc3ccccc3s2)c(N2CCOCC2)cc1C#N ZINC000001296607 132381422 /nfs/dbraw/zinc/38/14/22/132381422.db2.gz PTKYNGRZKVSGLF-UHFFFAOYSA-N 0 0 362.414 3.669 50 30 FHEARN Cc1sc(Nc2nc3ccccc3nc2N2CCOCC2)c(C#N)c1C ZINC000002317929 132383234 /nfs/dbraw/zinc/38/32/34/132383234.db2.gz WPJBUIXAOBRUSF-UHFFFAOYSA-N 0 0 365.462 3.760 50 30 FHEARN N#Cc1cnc2ccccc2c1N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000065034310 136134588 /nfs/dbraw/zinc/13/45/88/136134588.db2.gz OYJIJTNEGVRTRE-UHFFFAOYSA-N 0 0 362.477 3.725 50 30 FHEARN O=[N+]([O-])c1ccccc1C=CC=NN1C(=S)N=NC1c1ccc(F)cc1 ZINC000002220594 263144776 /nfs/dbraw/zinc/14/47/76/263144776.db2.gz WVHTYUQBECERFD-GRKKMJAJSA-N 0 0 369.381 3.828 50 30 FHEARN N=C(NOC(=O)c1ccccc1-c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000005013705 263337816 /nfs/dbraw/zinc/33/78/16/263337816.db2.gz VDACZIJOWYPAGF-UHFFFAOYSA-N 0 0 361.357 3.739 50 30 FHEARN CCn1ncc(C(=O)/C=C/c2cc(Br)c(O)c(OC)c2)c1C ZINC000006556027 263345975 /nfs/dbraw/zinc/34/59/75/263345975.db2.gz UVKAJEWPCYRDKH-AATRIKPKSA-N 0 0 365.227 3.584 50 30 FHEARN C=CCSc1nnc(NC(=O)Cc2coc3ccc(OC)cc23)s1 ZINC000006746684 263346548 /nfs/dbraw/zinc/34/65/48/263346548.db2.gz JSCXEJZEHYAUQZ-UHFFFAOYSA-N 0 0 361.448 3.752 50 30 FHEARN C=CCn1c(C)cc(C(=O)COC(=O)C=Cc2ccc(OC)cc2)c1C ZINC000006683558 263346688 /nfs/dbraw/zinc/34/66/88/263346688.db2.gz ZUBRVZHOGDIPNQ-FLIBITNWSA-N 0 0 353.418 3.739 50 30 FHEARN C=CCN(CC(=O)Nc1ccc(N2CCCC2=O)cc1)Cc1cccs1 ZINC000009156278 263359814 /nfs/dbraw/zinc/35/98/14/263359814.db2.gz QPZPWERXKWQFCL-UHFFFAOYSA-N 0 0 369.490 3.502 50 30 FHEARN C=CCNc1nc(C(=O)OCc2cc(Cl)cc3c2OCOC3)cs1 ZINC000010134377 263363589 /nfs/dbraw/zinc/36/35/89/263363589.db2.gz TYRLJJZNMLGNCL-UHFFFAOYSA-N 0 0 366.826 3.618 50 30 FHEARN C=CCOc1ccc(CN(C)Cc2nc3cc(Cl)ccc3c(=O)[nH]2)cc1 ZINC000023243059 263386734 /nfs/dbraw/zinc/38/67/34/263386734.db2.gz PXTOVUZPNBDJIZ-UHFFFAOYSA-N 0 0 369.852 3.773 50 30 FHEARN C=CCOc1ccc(C(=O)NCc2nc(-c3ccccc3Cl)no2)cc1 ZINC000095471616 263428254 /nfs/dbraw/zinc/42/82/54/263428254.db2.gz VDJMXTQYVYDMMB-UHFFFAOYSA-N 0 0 369.808 3.885 50 30 FHEARN C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nncn1C1CC1 ZINC000095953384 263429228 /nfs/dbraw/zinc/42/92/28/263429228.db2.gz BFHCDMXUDIPEFO-LBPRGKRZSA-N 0 0 373.507 3.738 50 30 FHEARN C[C@@H](Cc1ccsc1)NC(=O)N1CCC(C#N)(c2ccccc2)CC1 ZINC000426488191 263603390 /nfs/dbraw/zinc/60/33/90/263603390.db2.gz JJARGLAAWRQQPA-INIZCTEOSA-N 0 0 353.491 3.946 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccncc1 ZINC000019638397 517981683 /nfs/dbraw/zinc/98/16/83/517981683.db2.gz RUVKUQSYYJCJBD-LAUBAEHRSA-N 0 0 374.440 3.616 50 30 FHEARN C#CCn1c2c(cccc2F)s/c1=N\C(=O)c1ccc(Cl)s1 ZINC000100877844 518341204 /nfs/dbraw/zinc/34/12/04/518341204.db2.gz VRUIIXNPZLQFAQ-SDXDJHTJSA-N 0 0 350.827 3.931 50 30 FHEARN C=C(C)COc1cccc(C(=O)NCCc2nc(C)c3c(n2)CCCC3)c1 ZINC000055060912 518619234 /nfs/dbraw/zinc/61/92/34/518619234.db2.gz XSSYNGUMZWTLDY-UHFFFAOYSA-N 0 0 365.477 3.591 50 30 FHEARN C=CCN(Cc1ccc(Cl)s1)C(=O)CCNC(=O)c1ccccc1 ZINC000036774022 518779929 /nfs/dbraw/zinc/77/99/29/518779929.db2.gz SKFOBVVAAJSAAK-UHFFFAOYSA-N 0 0 362.882 3.736 50 30 FHEARN C=CCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)COC ZINC000036106163 518795216 /nfs/dbraw/zinc/79/52/16/518795216.db2.gz UPKNYYTVZPQGMX-UHFFFAOYSA-N 0 0 374.506 3.808 50 30 FHEARN C=CCNC(=O)[C@H](C)Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 ZINC000007837313 518926216 /nfs/dbraw/zinc/92/62/16/518926216.db2.gz QTQUUQOEJYLHBZ-QWRGUYRKSA-N 0 0 363.508 3.706 50 30 FHEARN C=CCNc1nnc(SCC(=O)N2CCC[C@H]2c2cccs2)s1 ZINC000009450399 518966296 /nfs/dbraw/zinc/96/62/96/518966296.db2.gz OYWWSCRCVMZVQB-NSHDSACASA-N 0 0 366.537 3.653 50 30 FHEARN CC(C)(C)c1nc(CON=C(N)c2cccnc2N2CCCCC2)cs1 ZINC000058498089 519101355 /nfs/dbraw/zinc/10/13/55/519101355.db2.gz VTSAJGRVMAFVHE-UHFFFAOYSA-N 0 0 373.526 3.663 50 30 FHEARN C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1ccco1 ZINC000008744570 519209528 /nfs/dbraw/zinc/20/95/28/519209528.db2.gz QJUZYNWSNCHYJJ-ZIAGYGMSSA-N 0 0 360.483 3.511 50 30 FHEARN C=CCn1c2c(cccc2OC)s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] ZINC000100909774 519261592 /nfs/dbraw/zinc/26/15/92/519261592.db2.gz JDAKIPVXXVSUDL-HNENSFHCSA-N 0 0 369.402 3.547 50 30 FHEARN C=CCn1c2ccccc2nc1SCC(=O)NCCc1ccccc1 ZINC000004485693 519268281 /nfs/dbraw/zinc/26/82/81/519268281.db2.gz BBJPVNXFXLSPQI-UHFFFAOYSA-N 0 0 351.475 3.673 50 30 FHEARN CCCC(NCCc1ccc(OCC)c(OCC)c1)=C1C(=O)CCCC1=O ZINC000100157043 519885061 /nfs/dbraw/zinc/88/50/61/519885061.db2.gz FQBGXRJMMSNQQQ-UHFFFAOYSA-N 0 0 373.493 3.992 50 30 FHEARN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(CC)cc2)C1=O ZINC000098050537 520069813 /nfs/dbraw/zinc/06/98/13/520069813.db2.gz CRVKPKPMMINFKN-FQEVSTJZSA-N 0 0 359.470 3.565 50 30 FHEARN CCOC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2cccn2C)C1=O ZINC000036257736 520533903 /nfs/dbraw/zinc/53/39/03/520533903.db2.gz GDOJVLMOMYFMIB-RVDMUPIBSA-N 0 0 372.421 3.708 50 30 FHEARN CCCCOc1ccc(/C=N/n2c(C)nc3ccccc3c2=O)cc1OC ZINC000002815738 520855289 /nfs/dbraw/zinc/85/52/89/520855289.db2.gz CFCULSWHKIZYNV-HYARGMPZSA-N 0 0 365.433 3.775 50 30 FHEARN CCOc1cccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)c1O ZINC000244872960 521328343 /nfs/dbraw/zinc/32/83/43/521328343.db2.gz WHMDWKFOCQGEIW-UHFFFAOYSA-N 0 0 367.493 3.559 50 30 FHEARN CCOC(=O)c1c(C)[nH]c(C(=O)/C=C\c2ccc(OC)c(OC)c2)c1C ZINC000096792233 521374593 /nfs/dbraw/zinc/37/45/93/521374593.db2.gz SUFJOHAGSUILAH-CLFYSBASSA-N 0 0 357.406 3.722 50 30 FHEARN CCCN(CCC#N)C(=O)c1nc(-c2ccco2)n(-c2ccc(C)cc2)n1 ZINC000034911429 521628002 /nfs/dbraw/zinc/62/80/02/521628002.db2.gz UJOJNFHLSVUTGC-UHFFFAOYSA-N 0 0 363.421 3.602 50 30 FHEARN COc1c2c(cc3c1C=C(C(=O)c1ccc(Cl)cc1)N(C)CC3)OCO2 ZINC000040312926 521884612 /nfs/dbraw/zinc/88/46/12/521884612.db2.gz NMGSGTQQBYZAIN-UHFFFAOYSA-N 0 0 371.820 3.789 50 30 FHEARN CC[C@@H](C)c1ccc(S(=O)(=O)N/N=C/c2cc(Cl)ccc2O)cc1 ZINC000017075365 522428534 /nfs/dbraw/zinc/42/85/34/522428534.db2.gz MONBCPSRXDYPCK-ZGXHQARYSA-N 0 0 366.870 3.872 50 30 FHEARN COC(=O)/C=C1\CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@H]3C(=O)C[C@]12C ZINC000257359330 522743821 /nfs/dbraw/zinc/74/38/21/522743821.db2.gz ZRBBCVQLZFVRCK-KEQLJVHDSA-N 0 0 354.446 3.573 50 30 FHEARN COC(=O)C1=C(SC)N(c2ccccc2)[C@@H](c2ccccc2)CC1=O ZINC000000707797 522896423 /nfs/dbraw/zinc/89/64/23/522896423.db2.gz YJQAUBWMXFNMRG-MRXNPFEDSA-N 0 0 353.443 3.955 50 30 FHEARN COc1ccc(/C=N/CCC/N=C\c2ccc(OC)c(OC)c2)cc1OC ZINC000018085867 523437177 /nfs/dbraw/zinc/43/71/77/523437177.db2.gz CVQUKSXLPMUVED-OQRYGUKSSA-N 0 0 370.449 3.649 50 30 FHEARN COC(=O)NCc1cc(/C(C)=N/OCc2cccc(C)n2)ccc1Cl ZINC000035851429 523454994 /nfs/dbraw/zinc/45/49/94/523454994.db2.gz CRFYLQMIDWBKRT-LPYMAVHISA-N 0 0 361.829 3.840 50 30 in-vitro FHEARN COc1ccc(C2(CNC(=O)c3ccc(N=[N+]=[N-])nc3)CCOCC2)cc1 ZINC000108512502 523867965 /nfs/dbraw/zinc/86/79/65/523867965.db2.gz BRFWLLYDPGIISE-UHFFFAOYSA-N 0 0 367.409 3.510 50 30 FHEARN CN1c2ccc(Cl)cc2[C@@](O)(CC(=O)C=CC=Cc2ccccc2)C1=O ZINC000004555364 524032595 /nfs/dbraw/zinc/03/25/95/524032595.db2.gz UWACZYOBENUMQP-DVFCLZDLSA-N 0 0 367.832 3.733 50 30 FHEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)/C=C/c1ccco1 ZINC000032942971 524033972 /nfs/dbraw/zinc/03/39/72/524033972.db2.gz FCAQLRQUWBILFK-SOXNPBTNSA-N 0 0 351.402 3.717 50 30 FHEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)/C=C\c1ccco1 ZINC000033694968 524034985 /nfs/dbraw/zinc/03/49/85/524034985.db2.gz FCAQLRQUWBILFK-IJISOCMKSA-N 0 0 351.402 3.717 50 30 FHEARN Cc1cccc(C(C)C)c1NC(=O)C(=O)[C@H](C#N)c1ccc(CC#N)cc1 ZINC000001613714 524231621 /nfs/dbraw/zinc/23/16/21/524231621.db2.gz AAORHZIFJAUAMD-LJQANCHMSA-N 0 0 359.429 3.999 50 30 FHEARN Cc1cc(C)cc(N(CCC#N)C(=O)COc2cccc3c2CCC3=O)c1 ZINC000040068607 524408932 /nfs/dbraw/zinc/40/89/32/524408932.db2.gz YSUJSMJFYZADJK-UHFFFAOYSA-N 0 0 362.429 3.758 50 30 FHEARN C=CCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 ZINC000046078844 534865056 /nfs/dbraw/zinc/86/50/56/534865056.db2.gz HBWPLDSXDWTMAP-UHFFFAOYSA-N 0 0 354.837 3.849 50 30 FHEARN COc1cccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(C(C)C)cc2)c1 ZINC000005917674 525784425 /nfs/dbraw/zinc/78/44/25/525784425.db2.gz UQLSFZUFWVERNB-SFHVURJKSA-N 0 0 351.402 3.685 50 30 FHEARN COc1cccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(C(C)C)cc2)c1 ZINC000005917619 525786202 /nfs/dbraw/zinc/78/62/02/525786202.db2.gz UQLSFZUFWVERNB-GOSISDBHSA-N 0 0 351.402 3.685 50 30 FHEARN Cc1c(N=Cc2cc3c(cc2Cl)OCO3)c(=O)n(-c2ccccc2)n1C ZINC000252599997 525823712 /nfs/dbraw/zinc/82/37/12/525823712.db2.gz DOBGRWYDJGQMNP-UHFFFAOYSA-N 0 0 369.808 3.617 50 30 FHEARN C[C@@H](ON=C(N)Cc1ccccc1Cl)C(=O)N1c2ccccc2C[C@@H]1C ZINC000078696005 525882992 /nfs/dbraw/zinc/88/29/92/525882992.db2.gz ZHXCHAWYIKNMKX-UONOGXRCSA-N 0 0 371.868 3.538 50 30 FHEARN Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)Cc1ccccc1Cl ZINC000024049615 526275295 /nfs/dbraw/zinc/27/52/95/526275295.db2.gz PCMBFDBPIYRPNG-UHFFFAOYSA-N 0 0 358.873 3.658 50 30 FHEARN S=C1N=NCN1N=Cc1ccc(COc2cccc(Cl)c2Cl)o1 ZINC000035679002 526391233 /nfs/dbraw/zinc/39/12/33/526391233.db2.gz WSLNNSRQRQVFGN-NGYBGAFCSA-N 0 0 369.233 3.928 50 30 FHEARN N#CC1(NC(=O)COC(=O)c2cccc(Oc3ccccc3)c2)CCCC1 ZINC000006485711 526436281 /nfs/dbraw/zinc/43/62/81/526436281.db2.gz IBNMYFNIGBDXSE-UHFFFAOYSA-N 0 0 364.401 3.588 50 30 FHEARN N#CCCN(C(=O)COc1ccc(F)cc1Cl)c1ccc(F)cc1 ZINC000003417152 526450484 /nfs/dbraw/zinc/45/04/84/526450484.db2.gz MBYNZMUXWBYFNG-UHFFFAOYSA-N 0 0 350.752 3.944 50 30 FHEARN N#C[C@@H](COC(=O)c1cccc(NC(=O)C2CC2)c1)Cc1cccs1 ZINC000089779601 526494951 /nfs/dbraw/zinc/49/49/51/526494951.db2.gz SDUULMQCLRVFDG-ZDUSSCGKSA-N 0 0 354.431 3.636 50 30 FHEARN N#Cc1ccc(C(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2)[nH]1 ZINC000089826343 526597900 /nfs/dbraw/zinc/59/79/00/526597900.db2.gz LPLVBIWBIOJWMK-SFHVURJKSA-N 0 0 354.413 3.930 50 30 FHEARN O=C(CON=C1c2ccccc2-c2ccccc21)NCc1ccc(F)cc1 ZINC000014354321 526942255 /nfs/dbraw/zinc/94/22/55/526942255.db2.gz NJKSJIYGVUAODN-UHFFFAOYSA-N 0 0 360.388 3.892 50 30 FHEARN O=C(/C=C\c1cnn(-c2ccccc2)c1)c1cccc(N2CCCC2=O)c1 ZINC000096920258 527659996 /nfs/dbraw/zinc/65/99/96/527659996.db2.gz DAXUHGLPKVUOMU-QXMHVHEDSA-N 0 0 357.413 3.895 50 30 FHEARN COc1ccc(Br)cc1/C=N/N1CCN(c2ccccc2)CC1 ZINC000000946012 536633046 /nfs/dbraw/zinc/63/30/46/536633046.db2.gz JZTOUHZXNILKLB-XSFVSMFZSA-N 0 0 374.282 3.614 50 30 FHEARN Cc1noc(C)c1N(C)CC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000081602296 568157400 /nfs/dbraw/zinc/15/74/00/568157400.db2.gz XMRJEGSJGJPBJQ-UHFFFAOYSA-N 0 0 358.467 3.568 50 30 FHEARN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccccc1 ZINC000101226875 568324627 /nfs/dbraw/zinc/32/46/27/568324627.db2.gz UPLQQLKUNUXJAM-MBOBHEEDSA-N 0 0 365.458 3.833 50 30 FHEARN C=CCC(=O)N1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012373693 568534425 /nfs/dbraw/zinc/53/44/25/568534425.db2.gz JUJORZRXSOKAPB-GOSISDBHSA-N 0 0 362.473 3.898 50 30 FHEARN CCOc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000000672367 570446699 /nfs/dbraw/zinc/44/66/99/570446699.db2.gz MSOBSEFNQYOFBK-HMMYKYKNSA-N 0 0 358.463 3.620 50 30 FHEARN O=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1ccccc1O ZINC000000716050 570452526 /nfs/dbraw/zinc/45/25/26/570452526.db2.gz SDSDLMYECOVHLV-OEAKJJBVSA-N 0 0 371.396 3.563 50 30 FHEARN CCOc1cccc(C2N=NC(=S)N2N=Cc2c[nH]c3ccccc23)c1 ZINC000000731902 570454155 /nfs/dbraw/zinc/45/41/55/570454155.db2.gz ABVMQLHGTYGUFI-CIAFOILYSA-N 0 0 363.446 3.996 50 30 FHEARN Cc1c(/N=C/c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C ZINC000000823381 570458756 /nfs/dbraw/zinc/45/87/56/570458756.db2.gz MZGCMMZCZNUQPC-UDWIEESQSA-N 0 0 370.250 3.998 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCC ZINC000000865502 570461887 /nfs/dbraw/zinc/46/18/87/570461887.db2.gz CNIRCXQRNBPBCH-IBGZPJMESA-N 0 0 355.434 3.616 50 30 FHEARN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1ccccc1Br ZINC000001041948 570475394 /nfs/dbraw/zinc/47/53/94/570475394.db2.gz GDBJHOUZVNOFOS-LBPRGKRZSA-N 0 0 354.207 3.826 50 30 FHEARN C=CCn1c(C)c(/C=N/NS(=O)(=O)c2ccc(C)cc2)c2ccccc21 ZINC000001101695 570480255 /nfs/dbraw/zinc/48/02/55/570480255.db2.gz VIIBSIFCAIYSKU-KGENOOAVSA-N 0 0 367.474 3.757 50 30 FHEARN CC(=O)N(c1ccc(F)c(F)c1)C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000001179266 570488738 /nfs/dbraw/zinc/48/87/38/570488738.db2.gz DRBWEZGYURQWAM-UHFFFAOYSA-N 0 0 361.731 3.847 50 30 FHEARN COC(=O)c1cccc(/N=C/c2cc(Br)cc(OC)c2O)c1 ZINC000100278692 570502268 /nfs/dbraw/zinc/50/22/68/570502268.db2.gz KUWRACDEQVRCPO-GIJQJNRQSA-N 0 0 364.195 3.701 50 30 FHEARN COc1cc(Cl)c(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)cc1OC ZINC000071752856 570511450 /nfs/dbraw/zinc/51/14/50/570511450.db2.gz KZRXHVWGFDJTPP-UHFFFAOYSA-N 0 0 354.797 3.868 50 30 FHEARN CCCc1c([C@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1cnn(C)c1 ZINC000071774859 570512583 /nfs/dbraw/zinc/51/25/83/570512583.db2.gz RQKOWXHOBGIMER-ZDUSSCGKSA-N 0 0 353.470 3.561 50 30 FHEARN CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccoc1C ZINC000014135997 570517172 /nfs/dbraw/zinc/51/71/72/570517172.db2.gz ZSMCJGCXUNONKE-UHFFFAOYSA-N 0 0 352.419 3.713 50 30 FHEARN C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000014201217 570519088 /nfs/dbraw/zinc/51/90/88/570519088.db2.gz YBOYPLVWQQPJQU-HNNXBMFYSA-N 0 0 350.443 3.892 50 30 FHEARN C=CCn1c(SCC)nc2sc3c(c2c1=O)C[C@H](C(C)C)OC3 ZINC000004857040 570551903 /nfs/dbraw/zinc/55/19/03/570551903.db2.gz LNLOTZUBRNFARY-GFCCVEGCSA-N 0 0 350.509 3.853 50 30 FHEARN C=CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccco3)cc2)SC1=S ZINC000005005947 570574671 /nfs/dbraw/zinc/57/46/71/570574671.db2.gz PUDJZBSFGDBAMN-RVDMUPIBSA-N 0 0 371.439 3.886 50 30 FHEARN N#Cc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000033772804 570583348 /nfs/dbraw/zinc/58/33/48/570583348.db2.gz HJUADVDMLGBPIT-NVNXTCNLSA-N 0 0 367.411 3.872 50 30 FHEARN Cc1ccc(C[C@@H]2S/C(=N/N=C/c3ccccc3Cl)NC2=O)cc1 ZINC000005009642 570617881 /nfs/dbraw/zinc/61/78/81/570617881.db2.gz VXUAKXMYULZQAY-YODDIOPGSA-N 0 0 357.866 3.813 50 30 FHEARN COc1cc(CN=Nc2ncnc3sc4c(c32)CCCC4)ccc1O ZINC000252630876 570624548 /nfs/dbraw/zinc/62/45/48/570624548.db2.gz VFNUTEMVQGLDAG-UHFFFAOYSA-N 0 0 354.435 3.730 50 30 FHEARN C=CCN1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N2C1=S ZINC000001129413 570642006 /nfs/dbraw/zinc/64/20/06/570642006.db2.gz NKEVTGXYYSJFOQ-ICSRJNTNSA-N 0 0 373.481 3.797 50 30 biogenic FHEARN CCOc1ccc2[nH]c(SCC(=O)Nc3ccccc3C#N)nc2c1 ZINC000005341845 570648446 /nfs/dbraw/zinc/64/84/46/570648446.db2.gz HIBJBBONOQRCGR-UHFFFAOYSA-N 0 0 352.419 3.564 50 30 FHEARN COc1ccccc1NC(=NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000012378363 570740414 /nfs/dbraw/zinc/74/04/14/570740414.db2.gz WSDAYBBGALWEBN-UHFFFAOYSA-N 0 0 366.442 3.943 50 30 FHEARN O=C(C[C@@H]1C(=O)OCCN1Cc1ccccc1)Nc1cccc(Cl)c1 ZINC000012652927 570755512 /nfs/dbraw/zinc/75/55/12/570755512.db2.gz NSHVXXAPIQADHQ-QGZVFWFLSA-N 0 0 358.825 3.746 50 30 FHEARN CCOC(=O)c1cc(C#N)c(SCCOc2cccc(C)c2)nc1C ZINC000032672350 570766839 /nfs/dbraw/zinc/76/68/39/570766839.db2.gz GVQVIOAGKDNZNK-UHFFFAOYSA-N 0 0 356.447 3.918 50 30 FHEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccccc1 ZINC000013879875 570794935 /nfs/dbraw/zinc/79/49/35/570794935.db2.gz YSLZETIPFDBOJO-BWORXHKJSA-N 0 0 371.437 3.806 50 30 FHEARN Cc1ccc(-c2csc3ncn(C[C@H](C#N)CCC#N)c(=O)c23)s1 ZINC000014020949 570802346 /nfs/dbraw/zinc/80/23/46/570802346.db2.gz JTDUSTYJFHFUED-LBPRGKRZSA-N 0 0 354.460 3.938 50 30 FHEARN CC(C)C[NH+]=Cc1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000018032194 570806246 /nfs/dbraw/zinc/80/62/46/570806246.db2.gz NWWONWKVIULFNP-DNTJNYDQSA-N 0 0 368.384 3.869 50 30 FHEARN CCn1c(-c2ccc(Cl)cc2)nn(CN(CCC#N)CCC#N)c1=S ZINC000014231787 570814538 /nfs/dbraw/zinc/81/45/38/570814538.db2.gz HRZZRVZESIKARQ-UHFFFAOYSA-N 0 0 374.901 3.841 50 30 FHEARN C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1Cl ZINC000014408388 570818438 /nfs/dbraw/zinc/81/84/38/570818438.db2.gz JTBMMMXBUMFWHF-CQSZACIVSA-N 0 0 368.868 3.700 50 30 FHEARN Cc1cccc2c3nnc(N=NCc4cc(Cl)ccc4O)nc3[nH]c21 ZINC000015016820 570829396 /nfs/dbraw/zinc/82/93/96/570829396.db2.gz GAWVHKHUAUCCKJ-UFWORHAWSA-N 0 0 352.785 3.620 50 30 FHEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccs2)no1 ZINC000102712351 570837265 /nfs/dbraw/zinc/83/72/65/570837265.db2.gz IUOOHRJWGMVCEK-IBOXJLQUSA-N 0 0 366.398 3.671 50 30 FHEARN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000102801242 570838956 /nfs/dbraw/zinc/83/89/56/570838956.db2.gz UOJKPWUROUAEFY-WOOAAIBNSA-N 0 0 374.371 3.847 50 30 FHEARN CC(C)c1ccc(/N=C2\c3ccccc3N(CN3CCOCC3)C2=O)cc1 ZINC000103735302 570852273 /nfs/dbraw/zinc/85/22/73/570852273.db2.gz MHNHZPAJBGWJIN-XTQSDGFTSA-N 0 0 363.461 3.567 50 30 FHEARN COc1ccccc1C(=O)Cc1nc2ccc(C(F)(F)F)cc2[nH]c1=O ZINC000016228363 570852521 /nfs/dbraw/zinc/85/25/21/570852521.db2.gz AGNVAAXYTYNXJD-ZROIWOOFSA-N 0 0 362.307 3.845 50 30 FHEARN COc1ccc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)c(OC)c1 ZINC000016661704 570860191 /nfs/dbraw/zinc/86/01/91/570860191.db2.gz DVIJAEMYFCVTIX-YVLHZVERSA-N 0 0 354.431 3.904 50 30 FHEARN CCOC(=O)C1=C(C)NC(=CNc2ccc(C3CCCCC3)cc2)C1=O ZINC000104751848 570862081 /nfs/dbraw/zinc/86/20/81/570862081.db2.gz FVIQCYZNPJABQC-AQTBWJFISA-N 0 0 354.450 3.997 50 30 FHEARN Cc1cccc(C[C@H]2S/C(=N\N=C\c3ccccc3Cl)NC2=O)c1 ZINC000018209381 570876651 /nfs/dbraw/zinc/87/66/51/570876651.db2.gz BQIGIKJXZGEJGY-MBTVCVBTSA-N 0 0 357.866 3.813 50 30 FHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 ZINC000019138540 570881470 /nfs/dbraw/zinc/88/14/70/570881470.db2.gz DVUPCFMLBPSHSZ-LJQANCHMSA-N 0 0 365.429 3.610 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(F)c1 ZINC000019314474 570885609 /nfs/dbraw/zinc/88/56/09/570885609.db2.gz KBXZHDKWLJGXJY-SFHVURJKSA-N 0 0 357.425 3.993 50 30 FHEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2[N+](=O)[O-])C2=C(CCCC2=O)N1 ZINC000019638443 570896208 /nfs/dbraw/zinc/89/62/08/570896208.db2.gz DZDOZMRCAIHYNJ-GOSISDBHSA-N 0 0 370.405 3.514 50 30 FHEARN COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c(Cl)cc1O ZINC000019973770 570908212 /nfs/dbraw/zinc/90/82/12/570908212.db2.gz JREKEVZNEOJPRO-UHFFFAOYSA-N 0 0 373.836 3.755 50 30 FHEARN CCc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccccc2C)cc1 ZINC000046129329 570927610 /nfs/dbraw/zinc/92/76/10/570927610.db2.gz CIQGAZKUVNMYAX-LJQANCHMSA-N 0 0 365.477 3.934 50 30 FHEARN Cc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(C)c(C)c2)c1 ZINC000046129662 570928084 /nfs/dbraw/zinc/92/80/84/570928084.db2.gz MNMUYLZCFVEATP-HXUWFJFHSA-N 0 0 365.477 3.989 50 30 FHEARN Cc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(F)cc2)cc1 ZINC000046132083 570928964 /nfs/dbraw/zinc/92/89/64/570928964.db2.gz VXUJSOPPRPHPHI-SFHVURJKSA-N 0 0 355.413 3.511 50 30 FHEARN Cc1nn(-c2ccccc2)c(CSc2nnc(-c3ccc[nH]3)o2)c1C#N ZINC000010796862 570935330 /nfs/dbraw/zinc/93/53/30/570935330.db2.gz WXZPZTNTWKZEMD-UHFFFAOYSA-N 0 0 362.418 3.723 50 30 FHEARN Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3nc[nH]n3)[C@@H]2c2cccs2)cc1 ZINC000023141090 570956796 /nfs/dbraw/zinc/95/67/96/570956796.db2.gz AFJHKUXJNWUGHS-XJKSGUPXSA-N 0 0 367.434 3.557 50 30 FHEARN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000024050781 570970971 /nfs/dbraw/zinc/97/09/71/570970971.db2.gz HBXIHMLVIXTNJZ-GFCCVEGCSA-N 0 0 371.510 3.566 50 30 FHEARN Cc1nnc(NC(=O)CN2CCC(c3c[nH]c4ccccc43)CC2)s1 ZINC000024335418 570974311 /nfs/dbraw/zinc/97/43/11/570974311.db2.gz GLWPOFDIXQCKCQ-UHFFFAOYSA-N 0 0 355.467 3.795 50 30 FHEARN N#CCCn1nc(-c2ccc(Br)cc2)c2ccccc2c1=O ZINC000024990260 570988280 /nfs/dbraw/zinc/98/82/80/570988280.db2.gz SMQMPSHZGHAYQU-UHFFFAOYSA-N 0 0 354.207 3.740 50 30 FHEARN CCOC(=O)c1c(/N=C/c2ccc(C)cc2O)sc2c1CCN(C)C2 ZINC000001300927 571048244 /nfs/dbraw/zinc/04/82/44/571048244.db2.gz PONQXJAJTRDYCU-KEBDBYFISA-N 0 0 358.463 3.677 50 30 FHEARN C=CCNC(=S)Nc1sc2c(c1C(=O)OCC)C[C@](C)(CC)OC2 ZINC000008691041 571055614 /nfs/dbraw/zinc/05/56/14/571055614.db2.gz ZNWWFVSDWQOFOT-KRWDZBQOSA-N 0 0 368.524 3.639 50 30 FHEARN CCCN(CC#Cc1ccccc1)C(=O)c1ccc(C#CC(C)(C)O)cc1 ZINC000055166342 571058093 /nfs/dbraw/zinc/05/80/93/571058093.db2.gz JUEUBDJQGAXVOD-UHFFFAOYSA-N 0 0 359.469 3.713 50 30 FHEARN COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1Cc1ccc(OCC#N)cc1 ZINC000072305037 571060120 /nfs/dbraw/zinc/06/01/20/571060120.db2.gz IJAXEOFHPVWMIY-QUCCMNQESA-N 0 0 356.466 3.533 50 30 FHEARN N#C[C@H](c1ccccc1)[C@@H]1CCCCN1CC(=O)Nc1cccc(F)c1 ZINC000072308609 571065571 /nfs/dbraw/zinc/06/55/71/571065571.db2.gz FHPABCBPODTRGR-UXHICEINSA-N 0 0 351.425 3.926 50 30 FHEARN N#Cc1c2c(sc1N1C(=O)[C@H]3CC=C(Cl)C[C@@H]3C1=O)CCCCC2 ZINC000100709467 571066453 /nfs/dbraw/zinc/06/64/53/571066453.db2.gz RRSKSLDMAKYXOF-STQMWFEESA-N 0 0 360.866 3.911 50 30 FHEARN Cc1ccc([C@@H]2c3c(=O)[nH]c(SC(C)C)nc3NC3=C2C(=O)CCC3)o1 ZINC000033810062 571066670 /nfs/dbraw/zinc/06/66/70/571066670.db2.gz IAZAIVNPYVXZRK-HNNXBMFYSA-N 0 0 371.462 3.736 50 30 FHEARN CCOc1ccc(CN(C)C(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 ZINC000012761198 571080779 /nfs/dbraw/zinc/08/07/79/571080779.db2.gz NWGQZZGVADPXKU-UHFFFAOYSA-N 0 0 363.417 3.921 50 30 FHEARN COc1ccccc1-c1nn(CN(CC#N)Cc2ccccc2)c(=S)o1 ZINC000040155489 571087316 /nfs/dbraw/zinc/08/73/16/571087316.db2.gz DKBNBIPAQYXHMG-UHFFFAOYSA-N 0 0 366.446 3.864 50 30 FHEARN C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000012768465 571087436 /nfs/dbraw/zinc/08/74/36/571087436.db2.gz COXHXXAEDKVJNH-QFIPXVFZSA-N 0 0 355.397 3.679 50 30 FHEARN N#CCc1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)cc1 ZINC000069177262 571090670 /nfs/dbraw/zinc/09/06/70/571090670.db2.gz UXLQQKGBRCCMJG-OAHLLOKOSA-N 0 0 370.403 3.679 50 30 FHEARN CCN(C[C@@H](C)C#N)C(=O)CCSc1ccc(Br)cc1 ZINC000084765662 571099308 /nfs/dbraw/zinc/09/93/08/571099308.db2.gz ZLJWNOJMSIOCOE-LBPRGKRZSA-N 0 0 355.301 3.939 50 30 FHEARN C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccc(C)cc2)cc1 ZINC000004657243 571102375 /nfs/dbraw/zinc/10/23/75/571102375.db2.gz MAKPRFDHEXNMEP-UHFFFAOYSA-N 0 0 370.474 3.610 50 30 FHEARN C=CCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1 ZINC000005047526 571102769 /nfs/dbraw/zinc/10/27/69/571102769.db2.gz BIVKSKXREFGSBE-UHFFFAOYSA-N 0 0 358.394 3.911 50 30 FHEARN Cc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccncc3)CO4)C2=O)o1 ZINC000009422806 571108728 /nfs/dbraw/zinc/10/87/28/571108728.db2.gz GNESPAKHKUFRGQ-JMIUGGIZSA-N 0 0 374.396 3.951 50 30 FHEARN C#CCOc1ccccc1[C@H]1Nc2c(sc3nc(C)cc(C)c32)C(=O)N1 ZINC000009469677 571110226 /nfs/dbraw/zinc/11/02/26/571110226.db2.gz CHANUZOPFCKMOR-SFHVURJKSA-N 0 0 363.442 3.779 50 30 FHEARN COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O ZINC000009486664 571110990 /nfs/dbraw/zinc/11/09/90/571110990.db2.gz QIJOCPXIIQYLIT-PKSBALPTSA-N 0 0 358.777 3.897 50 30 FHEARN O=C1c2ccc3c(c2O/C1=C\c1cccnc1)CN(Cc1ccco1)CO3 ZINC000013683732 571111130 /nfs/dbraw/zinc/11/11/30/571111130.db2.gz FIAKAUIKHNWMIQ-OCKHKDLRSA-N 0 0 360.369 3.643 50 30 FHEARN Cc1ccc(C2=N/C(=C\c3ccc(N(C)CCC#N)cc3)C(=O)O2)s1 ZINC000046341645 571111249 /nfs/dbraw/zinc/11/12/49/571111249.db2.gz DPVLLVJKUQJRJV-VBKFSLOCSA-N 0 0 351.431 3.751 50 30 FHEARN C=C(C)CNC(=S)Nc1sc2c(c1C(=O)OCC)CC(C)(C)OC2 ZINC000008686355 571112144 /nfs/dbraw/zinc/11/21/44/571112144.db2.gz PINAWXPROPBDBN-UHFFFAOYSA-N 0 0 368.524 3.639 50 30 FHEARN C=C(C)CN(C)C(=O)Cc1c(C)n(Cc2ccccc2)c2c1C(=O)CCC2 ZINC000012314657 571118021 /nfs/dbraw/zinc/11/80/21/571118021.db2.gz QSRDRKSBQCRLGZ-UHFFFAOYSA-N 0 0 364.489 3.941 50 30 FHEARN C=CCSc1ccccc1NC(=O)Cn1cc(C(F)(F)F)ccc1=O ZINC000014095344 571120941 /nfs/dbraw/zinc/12/09/41/571120941.db2.gz LAQQYTJVAVOFAD-UHFFFAOYSA-N 0 0 368.380 3.784 50 30 FHEARN C=CCN1C(=O)/C(=C/c2ccc(OC)c(Br)c2)SC1=S ZINC000016408022 571122476 /nfs/dbraw/zinc/12/24/76/571122476.db2.gz UEKSDIVTIDTJCB-WQLSENKSSA-N 0 0 370.293 3.845 50 30 FHEARN N#Cc1ccccc1NC(=O)CN1CCC(c2c[nH]c3ccccc32)CC1 ZINC000010139664 571122978 /nfs/dbraw/zinc/12/29/78/571122978.db2.gz USEHBPISOZBJQD-UHFFFAOYSA-N 0 0 358.445 3.858 50 30 FHEARN C=CCN(c1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1)S(C)(=O)=O ZINC000001076336 571123226 /nfs/dbraw/zinc/12/32/26/571123226.db2.gz XYSHBGWXCSUDFP-UHFFFAOYSA-N 0 0 358.463 3.508 50 30 FHEARN C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1ccco1 ZINC000001070375 571123376 /nfs/dbraw/zinc/12/33/76/571123376.db2.gz WERKWYOSCWYONN-UHFFFAOYSA-N 0 0 358.398 3.594 50 30 FHEARN C#Cc1cccc(NC(=O)C[C@@H](C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001034975 571123617 /nfs/dbraw/zinc/12/36/17/571123617.db2.gz NTQVYNBWTQHADK-CYBMUJFWSA-N 0 0 361.850 3.512 50 30 FHEARN Cc1cc(-c2cccnc2)cc(N2CCN(c3ccccn3)CC2)c1C#N ZINC000585145642 571124712 /nfs/dbraw/zinc/12/47/12/571124712.db2.gz LQULVDCYBADZQT-UHFFFAOYSA-N 0 0 355.445 3.650 50 30 FHEARN N#Cc1ccc(CON=C(N)c2ccccc2OCc2ccccc2)cc1 ZINC000058167160 571126697 /nfs/dbraw/zinc/12/66/97/571126697.db2.gz ULXBINXCCFZVFL-UHFFFAOYSA-N 0 0 357.413 3.974 50 30 FHEARN COc1cccc(-n2c(Nc3ccc(CC#N)cc3)c3[nH]cccc-3c2=O)c1 ZINC000015822034 571128958 /nfs/dbraw/zinc/12/89/58/571128958.db2.gz PTTVLLKJFDNXCG-NRFANRHFSA-N 0 0 370.412 3.927 50 30 FHEARN N#Cc1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)cc1Cl ZINC000012870050 571131191 /nfs/dbraw/zinc/13/11/91/571131191.db2.gz GJLBJZQKVFNNCA-UHFFFAOYSA-N 0 0 358.810 3.894 50 30 FHEARN CCCCNc1nc(C)c(NC(=O)c2ccccc2)c(COC)c1C#N ZINC000015107951 571139741 /nfs/dbraw/zinc/13/97/41/571139741.db2.gz WYYXITFEEXUQFQ-UHFFFAOYSA-N 0 0 352.438 3.872 50 30 FHEARN Cc1cc(N[C@@H](CO)Cc2ccccc2)n2c3ccccc3nc2c1C#N ZINC000078495457 571141581 /nfs/dbraw/zinc/14/15/81/571141581.db2.gz KFGYWVIUGOYVBL-QGZVFWFLSA-N 0 0 356.429 3.683 50 30 FHEARN C=CCc1cc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)ccc1OC ZINC000078579448 571141738 /nfs/dbraw/zinc/14/17/38/571141738.db2.gz OKCAMNFOHGPHOY-UHFFFAOYSA-N 0 0 363.417 3.746 50 30 FHEARN C[C@]1(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1(Cl)Cl ZINC000021143942 571141815 /nfs/dbraw/zinc/14/18/15/571141815.db2.gz JCYKOBRSXKENGF-CYBMUJFWSA-N 0 0 350.167 3.757 50 30 FHEARN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc2ccccc2s1 ZINC000012891684 571142315 /nfs/dbraw/zinc/14/23/15/571142315.db2.gz IAQTZUNXCNCXPY-UHFFFAOYSA-N 0 0 353.451 3.595 50 30 FHEARN COc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c(OC)c1 ZINC000001007198 571142865 /nfs/dbraw/zinc/14/28/65/571142865.db2.gz UUOFLIYGLOGPNZ-CXUHLZMHSA-N 0 0 358.394 3.735 50 30 FHEARN COc1ccc(-c2csc(NC(=O)c3cccnc3)c2C#N)cc1OC ZINC000001052112 571145096 /nfs/dbraw/zinc/14/50/96/571145096.db2.gz SJMXELCYFVWOTD-UHFFFAOYSA-N 0 0 365.414 3.951 50 30 FHEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OC)cc2)C1=O ZINC000001144807 571147584 /nfs/dbraw/zinc/14/75/84/571147584.db2.gz MYBKQNHTTQKGFL-FOWTUZBSSA-N 0 0 367.426 3.849 50 30 FHEARN COC(=O)/C=C1/CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3C(=O)C[C@@]12C ZINC000257357242 571163719 /nfs/dbraw/zinc/16/37/19/571163719.db2.gz MVLYYRYIEZOWIZ-CURHVMJVSA-N 0 0 356.462 3.797 50 30 FHEARN CCc1cc(NC(=O)c2ccc(F)cc2F)nn1-c1ccc(C#N)cc1 ZINC000034907302 571169367 /nfs/dbraw/zinc/16/93/67/571169367.db2.gz PIFGVYWSJKQXKK-UHFFFAOYSA-N 0 0 352.344 3.837 50 30 FHEARN C[C@H](Sc1nc2ccccc2n1CCC#N)C(=O)N1CCCCCC1 ZINC000012538886 571176571 /nfs/dbraw/zinc/17/65/71/571176571.db2.gz OOMINCFODJLFCB-HNNXBMFYSA-N 0 0 356.495 3.833 50 30 FHEARN C[C@@]12OC(=N)[C@@](C#N)([C@@H](c3ccccc3)O1)C(C#N)(C#N)[C@@H]2c1ccccc1 ZINC000226940039 571176589 /nfs/dbraw/zinc/17/65/89/571176589.db2.gz MYHXPTPDSAEKDZ-HROGELHOSA-N 0 0 368.396 3.809 50 30 FHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cccc(O)c2)cc1 ZINC000019138352 571179155 /nfs/dbraw/zinc/17/91/55/571179155.db2.gz PMFSLAKDNNNEAA-IBGZPJMESA-N 0 0 365.429 3.935 50 30 FHEARN CN(C(=O)CSc1nc2ccccc2n1CCC#N)c1ccccc1 ZINC000012549859 571179211 /nfs/dbraw/zinc/17/92/11/571179211.db2.gz RULMVXXECPDKFW-UHFFFAOYSA-N 0 0 350.447 3.705 50 30 FHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 ZINC000019138344 571179266 /nfs/dbraw/zinc/17/92/66/571179266.db2.gz UGLDUBMLYUPQIV-SFHVURJKSA-N 0 0 351.377 3.898 50 30 FHEARN CC[C@@]1(C)NC(=O)N(N=Cc2ccc(N(C)c3ccccc3)cc2)C1=O ZINC000006387924 571183460 /nfs/dbraw/zinc/18/34/60/571183460.db2.gz YITLSSJMSSKGRA-HXUWFJFHSA-N 0 0 350.422 3.509 50 30 FHEARN Cc1cc(Cl)ccc1OC(=O)C1CCN(c2ccc(C#N)cn2)CC1 ZINC000023075067 571205462 /nfs/dbraw/zinc/20/54/62/571205462.db2.gz INNSACYVKDZIGV-UHFFFAOYSA-N 0 0 355.825 3.737 50 30 FHEARN C=CCn1c(C)cc(C(=O)CSc2nnc3[nH]c4ccccc4n32)c1C ZINC000006506516 571205833 /nfs/dbraw/zinc/20/58/33/571205833.db2.gz GABGUJPCKSBOHU-UHFFFAOYSA-N 0 0 365.462 3.790 50 30 FHEARN C=C(C)CN(CC)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 ZINC000040159124 571206533 /nfs/dbraw/zinc/20/65/33/571206533.db2.gz PASHROYSAZLKNU-UHFFFAOYSA-N 0 0 370.522 3.721 50 30 FHEARN Cc1cc(=O)c2cccc(-c3ccc(C(=O)N4CCC[C@@H](C#N)C4)cc3)c2[nH]1 ZINC000534653075 571207575 /nfs/dbraw/zinc/20/75/75/571207575.db2.gz KDGIPTQCCJFFCS-INIZCTEOSA-N 0 0 371.440 3.879 50 30 FHEARN C=CCOC(=O)c1sc2[nH]c(Cc3cccc(Cl)c3)nc(=O)c2c1C ZINC000006550572 571208733 /nfs/dbraw/zinc/20/87/33/571208733.db2.gz RKSLEUUBPYZRAX-UHFFFAOYSA-N 0 0 374.849 3.880 50 30 FHEARN COC(=O)c1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1 ZINC000033334342 571235934 /nfs/dbraw/zinc/23/59/34/571235934.db2.gz KOXDXOQPORECKU-XNTDXEJSSA-N 0 0 356.378 3.504 50 30 FHEARN Cc1cc(C)cc(-n2ccnc2SCC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000007056616 571259687 /nfs/dbraw/zinc/25/96/87/571259687.db2.gz BCAUMGFBHBYHIH-IBGZPJMESA-N 0 0 356.495 3.636 50 30 FHEARN CC[C@]1(C)NC(=O)N(N=Cc2ccc(N(C)c3ccccc3)cc2)C1=O ZINC000252452727 571278776 /nfs/dbraw/zinc/27/87/76/571278776.db2.gz YITLSSJMSSKGRA-FQEVSTJZSA-N 0 0 350.422 3.509 50 30 FHEARN CCC(=O)Nc1ccc(N=Cc2ccc(I)o2)cc1 ZINC000252462631 571279151 /nfs/dbraw/zinc/27/91/51/571279151.db2.gz UXIVTPIQVXUUPC-UHFFFAOYSA-N 0 0 368.174 3.983 50 30 FHEARN C=CCSc1nnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000007594338 571279171 /nfs/dbraw/zinc/27/91/71/571279171.db2.gz NMTWBECFGIMHLC-UHFFFAOYSA-N 0 0 356.816 3.630 50 30 FHEARN O=C(C(=NNc1ccccc1)c1nc2ccccc2oc1=O)c1ccccc1 ZINC000252603166 571284696 /nfs/dbraw/zinc/28/46/96/571284696.db2.gz FOIOQRDLZZMGHE-UHFFFAOYSA-N 0 0 369.380 3.887 50 30 FHEARN Cc1ccc(C2N=NC(=S)N2N=Cc2cc3c(cc2Cl)OCO3)cc1 ZINC000252620279 571287489 /nfs/dbraw/zinc/28/74/89/571287489.db2.gz MAYXVVYRICRHAA-UHFFFAOYSA-N 0 0 372.837 3.807 50 30 FHEARN COc1ccc(-c2csc(=NN=Cc3cccc(OC)c3)n2C)cc1 ZINC000252620508 571287573 /nfs/dbraw/zinc/28/75/73/571287573.db2.gz MFFWDGBSMLDBEV-UHFFFAOYSA-N 0 0 353.447 3.706 50 30 FHEARN CC(C)(O)C(=CCc1ccccc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252625971 571289015 /nfs/dbraw/zinc/28/90/15/571289015.db2.gz QTFFCAPFNDUXJG-RAULQPLLSA-N 0 0 370.365 3.755 50 30 FHEARN CCCCCOc1ccc(C(C)=NN=Cc2nccn2C)cc1[N+](=O)[O-] ZINC000252636751 571291452 /nfs/dbraw/zinc/29/14/52/571291452.db2.gz XMEBQOOWTFWBMY-UHFFFAOYSA-N 0 0 357.414 3.740 50 30 FHEARN Cc1nn(-c2ccccc2)c(C)c1C=NN1C(=S)N=NC1c1ccccc1 ZINC000033317754 571308511 /nfs/dbraw/zinc/30/85/11/571308511.db2.gz OVKQCESWTWXCJU-UHFFFAOYSA-N 0 0 374.473 3.919 50 30 FHEARN COc1ccc(F)cc1CN1CCc2nc[nH]c2[C@H]1c1cccc(C#N)c1 ZINC000072429318 571319135 /nfs/dbraw/zinc/31/91/35/571319135.db2.gz UOQGHBAWHMZWTM-OAQYLSRUSA-N 0 0 362.408 3.577 50 30 FHEARN N#Cc1c(NC(=S)NC(=O)C=Cc2ccc(F)cc2)sc2c1CCC2 ZINC000000711414 571319175 /nfs/dbraw/zinc/31/91/75/571319175.db2.gz PSTRRIHEBZOKPK-RMKNXTFCSA-N 0 0 371.462 3.774 50 30 FHEARN C=C(Cl)COc1cc2oc(=O)c(CC(=O)OC)c(C)c2cc1Cl ZINC000002393898 571321276 /nfs/dbraw/zinc/32/12/76/571321276.db2.gz YRBZARLNDFRBCX-UHFFFAOYSA-N 0 0 357.189 3.602 50 30 FHEARN COc1cc(-c2cc(-c3cc(C)oc3C)nc(N)c2C#N)cc(OC)c1O ZINC000067956180 571321893 /nfs/dbraw/zinc/32/18/93/571321893.db2.gz VLVJOJRTWDIDFS-UHFFFAOYSA-N 0 0 365.389 3.802 50 30 FHEARN Cc1cc(C)c(C#N)c(-c2ccc(C(=O)N(C)C[C@@H]3CCCCO3)cc2)n1 ZINC000426512299 571322098 /nfs/dbraw/zinc/32/20/98/571322098.db2.gz QQUXFHIPGZEOBT-IBGZPJMESA-N 0 0 363.461 3.878 50 30 FHEARN N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3CC=CCC3)s2)cc1 ZINC000012798785 571322761 /nfs/dbraw/zinc/32/27/61/571322761.db2.gz TUXXLFZNGYMUCT-CQSZACIVSA-N 0 0 356.476 3.997 50 30 FHEARN CCOc1ccc([C@@H]2CCCN2C(=O)COc2ccc(C#N)cc2)cc1 ZINC000013002152 571322961 /nfs/dbraw/zinc/32/29/61/571322961.db2.gz CNUQPVZDZLJJGF-FQEVSTJZSA-N 0 0 350.418 3.699 50 30 FHEARN CC(C)c1ccc(C#N)c(-c2ccc(C(=O)N3CCc4n[nH]cc4C3)cc2)n1 ZINC000534670119 571323092 /nfs/dbraw/zinc/32/30/92/571323092.db2.gz LCQGLFMYGQHHML-UHFFFAOYSA-N 0 0 371.444 3.665 50 30 FHEARN N#Cc1ccc(-c2cccc(C(=O)N3CCCC4(CCOCC4)C3)c2)cn1 ZINC000534676659 571323136 /nfs/dbraw/zinc/32/31/36/571323136.db2.gz AWQZEAVGFIAQBS-UHFFFAOYSA-N 0 0 361.445 3.653 50 30 FHEARN COc1cccc(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)c1F ZINC000328592945 571323663 /nfs/dbraw/zinc/32/36/63/571323663.db2.gz ATMWZHACLNHJEO-UHFFFAOYSA-N 0 0 361.348 3.734 50 30 FHEARN Cc1cc(Br)cc2c1CN(C(=O)c1sccc1C#N)CC2 ZINC000095460116 571330212 /nfs/dbraw/zinc/33/02/12/571330212.db2.gz KNLJSUZKKUMNIV-UHFFFAOYSA-N 0 0 361.264 3.889 50 30 FHEARN CC1CCN(c2ccc(C(=O)[C@H](C#N)c3nc4ccccc4n3C)cn2)CC1 ZINC000095468934 571330571 /nfs/dbraw/zinc/33/05/71/571330571.db2.gz CHKQPZSDYFDWST-KRWDZBQOSA-N 0 0 373.460 3.695 50 30 FHEARN COc1ccc(Cc2nc(NC(=O)Cc3c[nH]c4ccccc34)n[nH]2)cc1 ZINC000095480461 571331041 /nfs/dbraw/zinc/33/10/41/571331041.db2.gz CKINLCDJTSEVMF-UHFFFAOYSA-N 0 0 361.405 3.716 50 30 FHEARN C=CCn1c2ccccc2n(CCOc2ccc(Br)cc2)c1=N ZINC000020807457 571331688 /nfs/dbraw/zinc/33/16/88/571331688.db2.gz WSSFJQFIORSKFJ-UHFFFAOYSA-N 0 0 372.266 3.950 50 30 FHEARN N#CCCSc1ccccc1NC(=O)C[C@H]1OC(=O)c2ccccc21 ZINC000095953409 571332797 /nfs/dbraw/zinc/33/27/97/571332797.db2.gz KXRXASAWESBAGK-MRXNPFEDSA-N 0 0 352.415 3.933 50 30 FHEARN CCCCN1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3C)c2C1 ZINC000095960940 571333063 /nfs/dbraw/zinc/33/30/63/571333063.db2.gz UUUVVPKZCXHLIL-UHFFFAOYSA-N 0 0 369.490 3.783 50 30 FHEARN C[C@@H]1CC[C@H](OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 ZINC000095996096 571333581 /nfs/dbraw/zinc/33/35/81/571333581.db2.gz GDIKYKHXTOMNAY-HIFRSBDPSA-N 0 0 369.421 3.754 50 30 FHEARN COC(=O)c1ccc(/C=C2\CCC/C(=C\c3ccc(C(=O)OC)o3)C2=O)o1 ZINC000096188175 571334800 /nfs/dbraw/zinc/33/48/00/571334800.db2.gz JYAYOMFSUSSGAP-DCIPZJNNSA-N 0 0 370.357 3.666 50 30 FHEARN O=C(/C=C\c1cccc(F)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000096298662 571335144 /nfs/dbraw/zinc/33/51/44/571335144.db2.gz OTFFTVKBRBBKEM-WDZFZDKYSA-N 0 0 359.422 3.506 50 30 FHEARN N#Cc1ccc(CN2CCN(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000022432122 571336761 /nfs/dbraw/zinc/33/67/61/571336761.db2.gz FNPGWPWHZRSXGU-QFIPXVFZSA-N 0 0 374.488 3.537 50 30 FHEARN C=CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1ccc(F)cc1 ZINC000002487259 571337294 /nfs/dbraw/zinc/33/72/94/571337294.db2.gz PQHGYSBJKMVMGD-GDBMZVCRSA-N 0 0 374.437 3.594 50 30 FHEARN Cc1cccc(NC(=NC(=O)c2ccc(Cl)cc2)N2CCN(C)CC2)c1 ZINC000015729026 571347926 /nfs/dbraw/zinc/34/79/26/571347926.db2.gz PZYHMZPPKXCSNH-UHFFFAOYSA-N 0 0 370.884 3.504 50 30 FHEARN CC(=O)[C@@H]1[C@@H](c2cccc(F)c2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N21 ZINC000004119042 571355571 /nfs/dbraw/zinc/35/55/71/571355571.db2.gz FARYOVKZTHXNHH-NJDAHSKKSA-N 0 0 357.388 3.816 50 30 FHEARN C=C(C)Cn1c2sc(C)c(CC)c2c2nc(-c3ccco3)nn2c1=O ZINC000032104766 571355889 /nfs/dbraw/zinc/35/58/89/571355889.db2.gz MHNVPTGOOXQTSS-UHFFFAOYSA-N 0 0 354.435 3.813 50 30 FHEARN C=CCNc1nc(CN2CCCCC2)nc2sc(C(=O)OCC)c(C)c21 ZINC000007978875 571357962 /nfs/dbraw/zinc/35/79/62/571357962.db2.gz UINASRDAJXQHHP-UHFFFAOYSA-N 0 0 374.510 3.760 50 30 FHEARN Cc1cc(C#N)nc(N2CCC[C@H]2c2ccc(Br)c(F)c2)n1 ZINC000588039020 928969896 /nfs/dbraw/zinc/96/98/96/928969896.db2.gz JAPKAZCUSMWVID-HNNXBMFYSA-N 0 0 361.218 3.900 50 30 FHEARN CC(O)=CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1cc(C)[nH]n1 ZINC000100314770 929402887 /nfs/dbraw/zinc/40/28/87/929402887.db2.gz UYIXQQPGWUSDJI-YWEYNIOJSA-N 0 0 366.208 3.747 50 30 FHEARN COc1ccc([C@@H]2CC(=O)C=C(NCc3ccc4c(c3)OCO4)C2)cc1 ZINC000100951964 934822527 /nfs/dbraw/zinc/82/25/27/934822527.db2.gz GRHQAIOTJQZNOJ-INIZCTEOSA-N 0 0 351.402 3.544 50 30 FHEARN COc1ccc2c(c1)C(=O)/C(=C/c1ccc(O)c(Br)c1)CO2 ZINC000024360280 940946357 /nfs/dbraw/zinc/94/63/57/940946357.db2.gz FJJLKFUGCVFQBU-IZZDOVSWSA-N 0 0 361.191 3.822 50 30 FHEARN O=C(Nc1nc2c(s1)CCCC2)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000328871559 942155493 /nfs/dbraw/zinc/15/54/93/942155493.db2.gz YJESNPMKGLYION-HNNXBMFYSA-N 0 0 372.494 3.644 50 30 FHEARN COCC1(O)CCN(C(=O)NCC2(C3CCCCC3)CCCCC2)CC1 ZINC000329029182 942241869 /nfs/dbraw/zinc/24/18/69/942241869.db2.gz KTAFPKGWVAFBSA-UHFFFAOYSA-N 0 0 366.546 3.905 50 30 FHEARN COc1cccc(Cl)c1CNC(=O)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000330049516 944331948 /nfs/dbraw/zinc/33/19/48/944331948.db2.gz KWCVFWACQNZOSG-FQEVSTJZSA-N 0 0 372.852 3.894 50 30 FHEARN O=C(NCc1c(F)cccc1OC(F)F)N1CCOC[C@H](C2CCC2)C1 ZINC000330197684 944344423 /nfs/dbraw/zinc/34/44/23/944344423.db2.gz SDSCHYWVTRUIDV-CYBMUJFWSA-N 0 0 372.387 3.590 50 30 FHEARN C[C@H]1C[C@@H](c2ccccc2F)N(S(=O)(=O)CC2(C#N)CCCC2)C1 ZINC000331623576 944464785 /nfs/dbraw/zinc/46/47/85/944464785.db2.gz YCYWCJQSDJNDAH-YOEHRIQHSA-N 0 0 350.459 3.622 50 30 FHEARN CCOc1cc(/C=C2\Cn3cccc3C2=O)cc(Br)c1OC ZINC000024986584 945820520 /nfs/dbraw/zinc/82/05/20/945820520.db2.gz IDLDDKCUTMYQSM-KPKJPENVSA-N 0 0 362.223 3.938 50 30 FHEARN C[C@H](NC(=O)NCc1cccc(OC2CC2)c1F)c1cccc(C#N)c1 ZINC000595538059 945942264 /nfs/dbraw/zinc/94/22/64/945942264.db2.gz GPXUZOXTTXVHFE-ZDUSSCGKSA-N 0 0 353.397 3.799 50 30 FHEARN N#Cc1ccc(-n2nccc2NC(=O)C[C@]23CCCC[C@H]2C3(F)F)cc1 ZINC000597228095 946737512 /nfs/dbraw/zinc/73/75/12/946737512.db2.gz CZMAMGFBGVFZJB-CRAIPNDOSA-N 0 0 356.376 3.898 50 30 FHEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc(C2CC2)n1C ZINC000104826189 947036652 /nfs/dbraw/zinc/03/66/52/947036652.db2.gz HYLGLJGBLKVFLG-GZTJUZNOSA-N 0 0 368.506 3.665 50 30 FHEARN CCNC(=S)N/N=C/c1cc(Cl)ccc1OCc1ccccc1F ZINC000001185101 219386087 /nfs/dbraw/zinc/38/60/87/219386087.db2.gz BDTJPYFVDMDLID-UFFVCSGVSA-N 0 0 365.861 3.876 50 30 FHEARN CC#CC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000012053531 203853894 /nfs/dbraw/zinc/85/38/94/203853894.db2.gz SYSYOLQRWYDSNV-SFHVURJKSA-N 0 0 364.420 3.693 50 30 FHEARN C=C(C)CN(C)C(=O)c1coc(COc2ccc3sc(C)nc3c2)n1 ZINC000012593686 203854474 /nfs/dbraw/zinc/85/44/74/203854474.db2.gz NIUZJWQTYBZRIH-UHFFFAOYSA-N 0 0 357.435 3.820 50 30 FHEARN C=CCn1c(SCC(C)=O)nc2sc(-c3ccccc3)cc2c1=O ZINC000000710362 203860116 /nfs/dbraw/zinc/86/01/16/203860116.db2.gz CKJRNRJUWSMTKR-UHFFFAOYSA-N 0 0 356.472 3.992 50 30 FHEARN C=CCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1cccc(O)c1 ZINC000002228087 203861414 /nfs/dbraw/zinc/86/14/14/203861414.db2.gz GYNSLVHXMIHUQG-GOSISDBHSA-N 0 0 361.397 3.847 50 30 FHEARN C=CCN1C(=O)c2ccccc2N[C@H]1c1cc2c(cc1OC)C[C@@H](C)O2 ZINC000018054440 203864346 /nfs/dbraw/zinc/86/43/46/203864346.db2.gz LRYIVOPPHVXKTP-ZUOKHONESA-N 0 0 350.418 3.771 50 30 FHEARN C=CCN(C(=O)CCc1c(C)nn(C)c1C)c1nc2c(s1)CCCC2 ZINC000025803270 203866865 /nfs/dbraw/zinc/86/68/65/203866865.db2.gz DUMCJNIWAMXEBQ-UHFFFAOYSA-N 0 0 358.511 3.524 50 30 FHEARN C=C(C)Cn1cnc2c3cc4c(nc3sc2c1=O)C[C@@](C)(CC)OC4 ZINC000032103256 203871523 /nfs/dbraw/zinc/87/15/23/203871523.db2.gz WWKHTFWKGHZHNA-LJQANCHMSA-N 0 0 355.463 3.824 50 30 FHEARN C=CCOC(=O)COc1ccc2c(c1)occ(-c1ccccc1OC)c2=O ZINC000002091432 203918331 /nfs/dbraw/zinc/91/83/31/203918331.db2.gz MCHUZSCJDSTJHA-UHFFFAOYSA-N 0 0 366.369 3.577 50 30 biogenic FHEARN COC(=O)COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O ZINC000005218369 203920417 /nfs/dbraw/zinc/92/04/17/203920417.db2.gz BSZQUUBAYUYWPR-PXNMLYILSA-N 0 0 362.740 3.647 50 30 FHEARN CCC(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(OC)c1OC)C2=O ZINC000005825971 203920620 /nfs/dbraw/zinc/92/06/20/203920620.db2.gz JGOZVGHHPXXWMP-YVLHZVERSA-N 0 0 354.358 3.635 50 30 biogenic FHEARN CC(C)(C)c1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000695291 203943545 /nfs/dbraw/zinc/94/35/45/203943545.db2.gz FUBAAOAMNOJJRG-XDHOZWIPSA-N 0 0 350.871 3.950 50 30 FHEARN O=C1CCCC2=Nc3ncnn3[C@H](c3cccc(OCc4ccccc4)c3)C12 ZINC000000955862 203967101 /nfs/dbraw/zinc/96/71/01/203967101.db2.gz HLDRIQHILPPPGC-OAQYLSRUSA-N 0 0 372.428 3.879 50 30 FHEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccccc2)n1 ZINC000001010049 203972151 /nfs/dbraw/zinc/97/21/51/203972151.db2.gz WXFWYEUEBIQUDN-OAQYLSRUSA-N 0 0 373.456 3.997 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(Nc2ccc(OC)cc2)C[C@H]1c1ccccc1 ZINC000000758164 203947701 /nfs/dbraw/zinc/94/77/01/203947701.db2.gz DDVRWGYUIYXVRS-PZJWPPBQSA-N 0 0 365.429 3.927 50 30 FHEARN Cc1cc(C(F)(F)F)nn1CC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000000825507 203954917 /nfs/dbraw/zinc/95/49/17/203954917.db2.gz KLYLOHGXRXQKHP-UHFFFAOYSA-N 0 0 368.384 3.661 50 30 FHEARN COc1ccc(CNc2oc(-c3ccc(OC)c(OC)c3)nc2C#N)cc1 ZINC000002411122 204037905 /nfs/dbraw/zinc/03/79/05/204037905.db2.gz YPERZBJJWPHDSA-UHFFFAOYSA-N 0 0 365.389 3.851 50 30 FHEARN CN1CCN(c2oc(COc3ccc(-c4ccccc4)cc3)nc2C#N)CC1 ZINC000002440620 204040273 /nfs/dbraw/zinc/04/02/73/204040273.db2.gz RBXUGGQLYATKSV-UHFFFAOYSA-N 0 0 374.444 3.544 50 30 FHEARN N#Cc1c2c(sc1NC(=O)c1cc(-c3ccccc3O)on1)CCC2 ZINC000002465686 204041788 /nfs/dbraw/zinc/04/17/88/204041788.db2.gz MCVFRJOVZVITNY-UHFFFAOYSA-N 0 0 351.387 3.721 50 30 FHEARN C[C@H]1SC2=NC3=C(C(=O)c4ccccc43)[C@@H](c3ccccc3F)N2C1=O ZINC000001407018 204004902 /nfs/dbraw/zinc/00/49/02/204004902.db2.gz FTSPFNIYQMEXCJ-BMLIUANNSA-N 0 0 364.401 3.808 50 30 FHEARN CN(C)N1C(=O)C[C@H](c2cccc(Cl)c2Cl)C2=C1CCCC2=O ZINC000001422732 204005674 /nfs/dbraw/zinc/00/56/74/204005674.db2.gz FVZWOCJFKWGCJQ-LLVKDONJSA-N 0 0 353.249 3.793 50 30 FHEARN CCOC(=O)c1c(/N=C/c2cccc(C)c2O)sc2c1CCN(C)C2 ZINC000002268418 204030876 /nfs/dbraw/zinc/03/08/76/204030876.db2.gz JBWOKXKILRGHHC-KEBDBYFISA-N 0 0 358.463 3.677 50 30 FHEARN N#Cc1c2c(sc1NC(=O)CO/N=C/c1cccs1)CCCCC2 ZINC000002263223 204032103 /nfs/dbraw/zinc/03/21/03/204032103.db2.gz WKQGEGPBIUHYSX-VXLYETTFSA-N 0 0 359.476 3.939 50 30 FHEARN COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N(CC(C)C)CC(C)C ZINC000002318639 204033878 /nfs/dbraw/zinc/03/38/78/204033878.db2.gz CABGQAYWMOKQEX-HNNXBMFYSA-N 0 0 354.454 3.528 50 30 FHEARN CCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 ZINC000002313156 204034462 /nfs/dbraw/zinc/03/44/62/204034462.db2.gz RDGOHEARHPQWCX-INIZCTEOSA-N 0 0 365.481 3.534 50 30 FHEARN C=CCSc1nnc(NC(=O)c2nc(SCC)ncc2Cl)s1 ZINC000002890907 204066330 /nfs/dbraw/zinc/06/63/30/204066330.db2.gz YHXDDMUMJBSSBV-UHFFFAOYSA-N 0 0 373.916 3.624 50 30 FHEARN N#CCCN(Cc1ccco1)S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000003046263 204075363 /nfs/dbraw/zinc/07/53/63/204075363.db2.gz HDEOAISWRLUJDX-UHFFFAOYSA-N 0 0 359.234 3.691 50 30 FHEARN Ic1c2c(ccc1/C=N/C1CCCCC1)OCO2 ZINC000003051874 204076226 /nfs/dbraw/zinc/07/62/26/204076226.db2.gz BANKLVPEDHQCGY-LZYBPNLTSA-N 0 0 357.191 3.772 50 30 FHEARN CON=CNc1nc2nccc([C@H](C)Oc3ccc(C(C)(C)C)cc3)n2n1 ZINC000003134423 204079397 /nfs/dbraw/zinc/07/93/97/204079397.db2.gz HJKSIPKXGWOSBM-ZDUSSCGKSA-N 0 0 368.441 3.563 50 30 in-vitro FHEARN COc1ccc2nc3c(cc(C#N)c4nc5ccc(C)cc5c(=O)n43)cc2c1 ZINC000003182727 204081135 /nfs/dbraw/zinc/08/11/35/204081135.db2.gz PZBWFSSHWHXROR-UHFFFAOYSA-N 0 0 366.380 3.738 50 30 FHEARN CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2cccc(C#N)c2)c1 ZINC000003219563 204082059 /nfs/dbraw/zinc/08/20/59/204082059.db2.gz WFRUVPSLHRYWNJ-UHFFFAOYSA-N 0 0 360.822 3.729 50 30 FHEARN Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(N)=S)c1 ZINC000002531509 204044142 /nfs/dbraw/zinc/04/41/42/204044142.db2.gz GMKPXSWFOFUOJN-WSDLNYQXSA-N 0 0 363.442 3.535 50 30 FHEARN CN1C(=O)N[C@H](c2ccccc2OC(F)F)C2=C1CC(C)(C)CC2=O ZINC000002701450 204051741 /nfs/dbraw/zinc/05/17/41/204051741.db2.gz QABZHMPMZWLZTD-OAHLLOKOSA-N 0 0 350.365 3.627 50 30 FHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)Cc3ccccc3[N+](=O)[O-])sc2C1 ZINC000002872598 204064594 /nfs/dbraw/zinc/06/45/94/204064594.db2.gz CBGYOEMMEKGXRN-LLVKDONJSA-N 0 0 355.419 3.834 50 30 FHEARN COc1ccc2c(c1)CC/C(=C/c1ccc(OC)c(OC)c1OC)C2=O ZINC000003895133 204113232 /nfs/dbraw/zinc/11/32/32/204113232.db2.gz SBFNJLKRAFOJJV-KAMYIIQDSA-N 0 0 354.402 3.934 50 30 FHEARN O=[N+]([O-])c1ccc(NN=Cc2c(O)ccc3cc([N+](=O)[O-])ccc32)cc1 ZINC000003898343 204114761 /nfs/dbraw/zinc/11/47/61/204114761.db2.gz KOBBWTSRUKXRQN-VCHYOVAHSA-N 0 0 352.306 3.808 50 30 FHEARN CCSc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)c(C)o1 ZINC000004014588 204118289 /nfs/dbraw/zinc/11/82/89/204118289.db2.gz VQSOOZRIVFOQDB-QGZVFWFLSA-N 0 0 361.463 3.841 50 30 FHEARN N#Cc1ccc(C(=O)Nc2nc(SCc3ccccc3)ns2)cc1 ZINC000003334390 204092792 /nfs/dbraw/zinc/09/27/92/204092792.db2.gz IKLNNBXQJYJKJO-UHFFFAOYSA-N 0 0 352.444 3.954 50 30 FHEARN COc1cc(C#N)ccc1OCC(=O)Nc1ccccc1C(F)(F)F ZINC000003343948 204093512 /nfs/dbraw/zinc/09/35/12/204093512.db2.gz FVFJWTRHTXYDAP-UHFFFAOYSA-N 0 0 350.296 3.603 50 30 FHEARN N#Cc1cccc(NC(=O)CSc2nnc(NC3CCCCC3)s2)c1 ZINC000003372388 204096071 /nfs/dbraw/zinc/09/60/71/204096071.db2.gz MQAQIADWDPJKLV-UHFFFAOYSA-N 0 0 373.507 3.885 50 30 FHEARN CCCCOc1ccc(C(=O)NOCc2ccc(C#N)cc2)cc1OC ZINC000003377782 204096693 /nfs/dbraw/zinc/09/66/93/204096693.db2.gz QACZHHPUUJMCKN-UHFFFAOYSA-N 0 0 354.406 3.607 50 30 FHEARN CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1ccc(C#N)cc1 ZINC000003448204 204101773 /nfs/dbraw/zinc/10/17/73/204101773.db2.gz ZYWJGJNPMWHCLS-UHFFFAOYSA-N 0 0 355.825 3.621 50 30 FHEARN Cc1sc2[nH]c(CSc3ccc([N+](=O)[O-])cc3C#N)nc(=O)c2c1C ZINC000003534361 204105748 /nfs/dbraw/zinc/10/57/48/204105748.db2.gz SKZFSKWRZAZOKY-UHFFFAOYSA-N 0 0 372.431 3.674 50 30 FHEARN COc1cc(C=NN=c2[nH]c3ccccc3s2)c([N+](=O)[O-])cc1OC ZINC000004703214 204156662 /nfs/dbraw/zinc/15/66/62/204156662.db2.gz VXALRMIGDXRPDS-RQZCQDPDSA-N 0 0 358.379 3.668 50 30 FHEARN N#Cc1ccc(Cn2cc(C(=O)C(=O)N3CCCCC3)c3ccccc32)cc1 ZINC000004708695 204157403 /nfs/dbraw/zinc/15/74/03/204157403.db2.gz SGAMJBBYYGNCFS-UHFFFAOYSA-N 0 0 371.440 3.756 50 30 FHEARN COc1ccc(/C=C/c2nc(C#N)c(NCc3cccnc3)o2)cc1OC ZINC000004839639 204167726 /nfs/dbraw/zinc/16/77/26/204167726.db2.gz UUDNRTNHBSNBFF-SOFGYWHQSA-N 0 0 362.389 3.741 50 30 FHEARN COC(=O)C([C@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000004839300 204168506 /nfs/dbraw/zinc/16/85/06/204168506.db2.gz NXFNMFQEHPUXLW-IRXDYDNUSA-N 0 0 358.781 3.772 50 30 FHEARN CCCCNC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000004269500 204129951 /nfs/dbraw/zinc/12/99/51/204129951.db2.gz FRDRLFIYLNNXAG-UHFFFAOYSA-N 0 0 352.463 3.676 50 30 FHEARN CC(=O)N(c1cc(C)cc(C)c1)C1=C(N(C)C)C(=O)c2ccccc2C1=O ZINC000004281639 204130268 /nfs/dbraw/zinc/13/02/68/204130268.db2.gz QHTVDKLTXLWUAG-UHFFFAOYSA-N 0 0 362.429 3.509 50 30 FHEARN O=[N+]([O-])c1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000004311300 204130820 /nfs/dbraw/zinc/13/08/20/204130820.db2.gz IFEJIKFCNQJTSJ-RQZCQDPDSA-N 0 0 359.798 3.678 50 30 FHEARN COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OC)c(OC)c3)S2)cc1 ZINC000004491592 204141508 /nfs/dbraw/zinc/14/15/08/204141508.db2.gz PNJRPUVGJHDEPC-GZTJUZNOSA-N 0 0 370.430 3.604 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(C)c1 ZINC000004529925 204144784 /nfs/dbraw/zinc/14/47/84/204144784.db2.gz MRRJGUWLVUNQAR-LJQANCHMSA-N 0 0 369.461 3.781 50 30 FHEARN CCCOc1nc2ccccc2nc1[C@@H](C#N)C(=O)Nc1cccc(C)c1 ZINC000005452233 204209037 /nfs/dbraw/zinc/20/90/37/204209037.db2.gz OLFWQCIUBSRCEA-MRXNPFEDSA-N 0 0 360.417 3.973 50 30 FHEARN C[C@H]1CCc2c(C#N)c(NC(=O)COC(=O)/C=C/c3ccco3)sc2C1 ZINC000005446366 204209057 /nfs/dbraw/zinc/20/90/57/204209057.db2.gz OZHXCKKWLNOJJH-PZBABLGHSA-N 0 0 370.430 3.533 50 30 FHEARN N#Cc1ccc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)c(F)c1 ZINC000005451587 204209775 /nfs/dbraw/zinc/20/97/75/204209775.db2.gz ZPGTWSVGVLPNQG-UHFFFAOYSA-N 0 0 372.359 3.831 50 30 FHEARN O=C1C[C@H](c2ccccc2F)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004914760 204175681 /nfs/dbraw/zinc/17/56/81/204175681.db2.gz SICBPJSPPOLFLU-XJKSGUPXSA-N 0 0 353.368 3.969 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccco1 ZINC000004919907 204177482 /nfs/dbraw/zinc/17/74/82/204177482.db2.gz MIAKANQSXNUVFG-QRWLVFNGSA-N 0 0 370.401 3.616 50 30 FHEARN C[C@@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2)C1=O ZINC000004955827 204179281 /nfs/dbraw/zinc/17/92/81/204179281.db2.gz HGWFUJJHSWCXAE-WCFOROSUSA-N 0 0 366.490 3.607 50 30 FHEARN COc1cccc(/C=C2\S/C(=N\c3ccccc3C)NC2=O)c1OC ZINC000005100804 204191891 /nfs/dbraw/zinc/19/18/91/204191891.db2.gz ZGUBICKOAUDOEQ-WJDWOHSUSA-N 0 0 354.431 3.904 50 30 FHEARN Cc1ccc2[nH]c(C3=C(N)N(c4ccc(Cl)c(Cl)c4)CC3=O)nc2c1 ZINC000005182852 204195565 /nfs/dbraw/zinc/19/55/65/204195565.db2.gz LVLJUDPJFKRODQ-UHFFFAOYSA-N 0 0 373.243 3.895 50 30 FHEARN Cn1c2ccccc2nc1C1=C(N)N(c2cc(Cl)cc(Cl)c2)CC1=O ZINC000005182945 204196224 /nfs/dbraw/zinc/19/62/24/204196224.db2.gz QIYWUWXMBBNJTN-UHFFFAOYSA-N 0 0 373.243 3.597 50 30 FHEARN Cn1c2ccccc2nc1C1=C(N)N(c2ccc(Cl)c(Cl)c2)CC1=O ZINC000005214023 204198936 /nfs/dbraw/zinc/19/89/36/204198936.db2.gz CTQCLNWYQPHQRU-UHFFFAOYSA-N 0 0 373.243 3.597 50 30 FHEARN CC/C(=N\NS(=O)(=O)c1ccc(OC)cc1)c1ccc(Cl)s1 ZINC000005727614 204223818 /nfs/dbraw/zinc/22/38/18/204223818.db2.gz YKDOQMWGUWJZIO-FOWTUZBSSA-N 0 0 358.872 3.503 50 30 FHEARN N#Cc1ccc(NC(=O)COC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 ZINC000005834598 204226649 /nfs/dbraw/zinc/22/66/49/204226649.db2.gz LXIBZKWGZPQDFB-UHFFFAOYSA-N 0 0 352.434 3.646 50 30 FHEARN COc1ccccc1[C@H]1NC(=O)NC(C)=C1C(=O)c1ccc(Cl)cc1 ZINC000005866185 204228244 /nfs/dbraw/zinc/22/82/44/204228244.db2.gz JBJPKTSNMVGEJF-QGZVFWFLSA-N 0 0 356.809 3.859 50 30 FHEARN CC(C)Sc1nc2c(c(=O)[nH]1)[C@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000005860904 204228662 /nfs/dbraw/zinc/22/86/62/204228662.db2.gz OQQDJNIOYLDCOW-CQSZACIVSA-N 0 0 373.503 3.896 50 30 FHEARN CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)C1=C(CCCC1=O)N2 ZINC000005923963 204231466 /nfs/dbraw/zinc/23/14/66/204231466.db2.gz NOUISZWNQOUCIT-HNNXBMFYSA-N 0 0 367.474 3.837 50 30 FHEARN CCCSc1nc2c(c(=O)[nH]1)[C@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000005923834 204231597 /nfs/dbraw/zinc/23/15/97/204231597.db2.gz LYVFGKJTONQQQX-CQSZACIVSA-N 0 0 373.503 3.898 50 30 FHEARN C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(C#N)c1 ZINC000006063814 204235571 /nfs/dbraw/zinc/23/55/71/204235571.db2.gz FRMLQHWYAUMUMJ-FCLDQCEHSA-N 0 0 352.434 3.645 50 30 FHEARN S=C1N=NC(c2ccccc2Br)N1N=Cc1cccs1 ZINC000006059953 204236039 /nfs/dbraw/zinc/23/60/39/204236039.db2.gz WKFDDDIQRRRSJR-OVCLIPMQSA-N 0 0 365.281 3.940 50 30 FHEARN CSc1ccc(/C=C/C(=O)OCC(=O)Nc2sccc2C#N)cc1 ZINC000006362701 204245968 /nfs/dbraw/zinc/24/59/68/204245968.db2.gz FYNONCYDHWLKSB-QPJJXVBHSA-N 0 0 358.444 3.537 50 30 FHEARN CCN1C=C(C(=O)C=Cc2ccc(OC)cc2)[C@H](c2ccccc2)NC1=O ZINC000006604186 204255412 /nfs/dbraw/zinc/25/54/12/204255412.db2.gz MTPMFTWSVKBGSS-KVDXNUTJSA-N 0 0 362.429 3.948 50 30 FHEARN N#Cc1c(NC(=O)N(CCO)Cc2ccccc2)sc2c1CCCC2 ZINC000006754737 204267148 /nfs/dbraw/zinc/26/71/48/204267148.db2.gz IIWQBGWGLXIZGM-UHFFFAOYSA-N 0 0 355.463 3.525 50 30 FHEARN CC[C@@H](C(=O)Nc1cccc(C#N)c1)n1nc(-c2ccc(C)cc2)ccc1=O ZINC000006767301 204267723 /nfs/dbraw/zinc/26/77/23/204267723.db2.gz OKDFVQYWIFJMAL-FQEVSTJZSA-N 0 0 372.428 3.680 50 30 FHEARN COc1cccc(-c2[nH]c3c(C#N)cnn3c2NC2CCCC2)c1OC ZINC000006768582 204267874 /nfs/dbraw/zinc/26/78/74/204267874.db2.gz RFIKTYOPHRUMMF-UHFFFAOYSA-N 0 0 351.410 3.573 50 30 FHEARN Cc1ccc(C)c(-c2ccc(=O)n([C@H](C)C(=O)Nc3cccc(C#N)c3)n2)c1 ZINC000006767368 204268269 /nfs/dbraw/zinc/26/82/69/204268269.db2.gz VUTJCUHYIRUOAD-MRXNPFEDSA-N 0 0 372.428 3.599 50 30 FHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 ZINC000006813212 204273323 /nfs/dbraw/zinc/27/33/23/204273323.db2.gz FETPHJXQGCNRQX-IBGZPJMESA-N 0 0 365.429 3.528 50 30 FHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1nnc(-c2ccccc2)o1 ZINC000007672237 204302247 /nfs/dbraw/zinc/30/22/47/204302247.db2.gz DOBXZYHEWUNRMJ-UHFFFAOYSA-N 0 0 374.356 3.657 50 30 FHEARN Cc1nc(-c2ccc(CNC(=O)COc3ccc(C#N)cc3)s2)cs1 ZINC000007820796 204308013 /nfs/dbraw/zinc/30/80/13/204308013.db2.gz COISPZNAQGUIOO-UHFFFAOYSA-N 0 0 369.471 3.747 50 30 FHEARN N#Cc1cccc(NC(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000008115083 204317421 /nfs/dbraw/zinc/31/74/21/204317421.db2.gz QQVPPZRFRWEUCZ-UHFFFAOYSA-N 0 0 371.396 3.719 50 30 FHEARN CCCCCCCC(=O)N1N=C(c2ccncc2)C[C@@]1(O)C(F)(F)F ZINC000008454090 204331275 /nfs/dbraw/zinc/33/12/75/204331275.db2.gz IXIOGPPKPZYKJQ-MRXNPFEDSA-N 0 0 357.376 3.629 50 30 FHEARN COc1ccc2c(C)nc(N=C3NC(=O)C[C@@H](c4ccccc4)N3)nc2c1 ZINC000008770846 204344983 /nfs/dbraw/zinc/34/49/83/204344983.db2.gz CCSPKYYHJNVAHB-INIZCTEOSA-N 0 0 361.405 3.625 50 30 FHEARN N#Cc1cc2c(nc1SCCCn1c(=O)[nH]c3ccccc31)CCCC2 ZINC000008783636 204345963 /nfs/dbraw/zinc/34/59/63/204345963.db2.gz OIPLPBDFWMUAGR-UHFFFAOYSA-N 0 0 364.474 3.657 50 30 FHEARN COc1ccc(OCc2ccc(-c3nc(C#N)c(NC4CC4)o3)o2)cc1 ZINC000008844529 204346861 /nfs/dbraw/zinc/34/68/61/204346861.db2.gz DQDGUYRFCANWQA-UHFFFAOYSA-N 0 0 351.362 3.968 50 30 FHEARN Cc1nc(-c2ccccc2Cl)nc(SCC(=O)N2CCCC2)c1C#N ZINC000009134495 204355324 /nfs/dbraw/zinc/35/53/24/204355324.db2.gz VFGYYKVGTYUMCC-UHFFFAOYSA-N 0 0 372.881 3.692 50 30 FHEARN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(C#N)cc1 ZINC000009228253 204359874 /nfs/dbraw/zinc/35/98/74/204359874.db2.gz LHOSWADKBLBUHW-UHFFFAOYSA-N 0 0 367.430 3.885 50 30 FHEARN N#Cc1c(SCCC(N)=O)nc(-c2cccs2)cc1C(F)(F)F ZINC000009422493 204366893 /nfs/dbraw/zinc/36/68/93/204366893.db2.gz VLXIHRPWMSAECD-UHFFFAOYSA-N 0 0 357.382 3.668 50 30 FHEARN N#CCn1c(CN2CCCCCCC2)nc2sc3c(c2c1=O)CCCC3 ZINC000009498079 204371079 /nfs/dbraw/zinc/37/10/79/204371079.db2.gz ZKVZCFHJMBGRSU-UHFFFAOYSA-N 0 0 370.522 3.626 50 30 FHEARN N#Cc1ccccc1S(=O)(=O)N1CCC(CCc2ccccc2)CC1 ZINC000010680700 204399201 /nfs/dbraw/zinc/39/92/01/204399201.db2.gz IGRPJWDUCHQRRA-UHFFFAOYSA-N 0 0 354.475 3.592 50 30 FHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCn4cccc4[C@@H]3C)sc2C1 ZINC000012871962 204504128 /nfs/dbraw/zinc/50/41/28/204504128.db2.gz HOZOLXLZYLTADS-KGLIPLIRSA-N 0 0 368.506 3.561 50 30 FHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000012621819 204482642 /nfs/dbraw/zinc/48/26/42/204482642.db2.gz WZDKHISQLUOALE-PXAZEXFGSA-N 0 0 356.422 3.818 50 30 FHEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccccc3)C2)cc1 ZINC000013124628 204522163 /nfs/dbraw/zinc/52/21/63/204522163.db2.gz QACQTXVGMYXTPG-IIBYNOLFSA-N 0 0 372.428 3.702 50 30 FHEARN O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000013496535 204532482 /nfs/dbraw/zinc/53/24/82/204532482.db2.gz AVCBRLPBAJRNON-HYARGMPZSA-N 0 0 370.368 3.854 50 30 FHEARN C[C@@H](Sc1cccc[n+]1[O-])C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000015799394 204620188 /nfs/dbraw/zinc/62/01/88/204620188.db2.gz IQOSPQKNLAGQTH-GFCCVEGCSA-N 0 0 373.503 3.641 50 30 FHEARN Cc1cc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)ccc1[N+](=O)[O-] ZINC000040049495 204877650 /nfs/dbraw/zinc/87/76/50/204877650.db2.gz SWOWLXYYISUAQP-UHFFFAOYSA-N 0 0 357.369 3.950 50 30 FHEARN COc1ccc([C@@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1F ZINC000032745031 204935268 /nfs/dbraw/zinc/93/52/68/204935268.db2.gz JIYWCYXVPZMWQF-GFCCVEGCSA-N 0 0 367.380 3.889 50 30 FHEARN Cc1sc(NC(=O)CCc2nc(-c3cccs3)no2)c(C#N)c1C ZINC000039994118 205049045 /nfs/dbraw/zinc/04/90/45/205049045.db2.gz ZFOXTKGMHNBXJB-UHFFFAOYSA-N 0 0 358.448 3.919 50 30 FHEARN N#Cc1oc2ccccc2c1NC(=O)COc1ccc(C#N)cc1Cl ZINC000039984205 205049479 /nfs/dbraw/zinc/04/94/79/205049479.db2.gz LCYXBYHLWSKZCZ-UHFFFAOYSA-N 0 0 351.749 3.847 50 30 FHEARN C=CCSc1nnc(NC(=O)Cc2ccc(Br)cc2)s1 ZINC000003400178 205081794 /nfs/dbraw/zinc/08/17/94/205081794.db2.gz VEJBDBWYUVZJQI-UHFFFAOYSA-N 0 0 370.297 3.760 50 30 FHEARN CCOc1c(Cl)cc(CNC(=O)Nc2cccc(C#N)c2)cc1OC ZINC000047338329 205145076 /nfs/dbraw/zinc/14/50/76/205145076.db2.gz NFKWWRXQJOMAEY-UHFFFAOYSA-N 0 0 359.813 3.941 50 30 FHEARN COc1ccc(-c2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)o2)cc1 ZINC000054061441 205197416 /nfs/dbraw/zinc/19/74/16/205197416.db2.gz PIEFHLKTSGJIBU-UHFFFAOYSA-N 0 0 374.444 3.544 50 30 FHEARN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]2CCC[C@@H](C)[C@H]21 ZINC000057068316 205233600 /nfs/dbraw/zinc/23/36/00/205233600.db2.gz ZSUNPDNTZRFPDR-FYINFDKHSA-N 0 0 356.514 3.773 50 30 FHEARN Cc1nnc(NCc2ccc(Cn3cnc4ccccc43)cc2)c(C#N)c1C ZINC000057830443 205245617 /nfs/dbraw/zinc/24/56/17/205245617.db2.gz YUNGDUQHABPZIQ-UHFFFAOYSA-N 0 0 368.444 3.975 50 30 FHEARN CCN(C(C)=O)c1nc(/C=C2\COc3c(C)ccc(C)c3C2=O)cs1 ZINC000058179677 205255270 /nfs/dbraw/zinc/25/52/70/205255270.db2.gz RSLMOFXQOVHOFJ-RIYZIHGNSA-N 0 0 356.447 3.791 50 30 FHEARN N#Cc1cccc(NC(=O)N(Cc2cccc(O)c2)C2CCC(O)CC2)c1 ZINC000058215676 205262127 /nfs/dbraw/zinc/26/21/27/205262127.db2.gz UFVMIRZMJBNMLT-UHFFFAOYSA-N 0 0 365.433 3.601 50 30 FHEARN N#Cc1c(F)cccc1NCC1(c2ccc3c(c2)OCO3)CCOCC1 ZINC000058345098 205270968 /nfs/dbraw/zinc/27/09/68/205270968.db2.gz PCVRCTJHRUSAPQ-UHFFFAOYSA-N 0 0 354.381 3.586 50 30 FHEARN O=C1c2cccc(Br)c2OC/C1=C\c1cccc2c1OCO2 ZINC000063279297 205292019 /nfs/dbraw/zinc/29/20/19/205292019.db2.gz RETIEMBCSMLFBF-YRNVUSSQSA-N 0 0 359.175 3.837 50 30 FHEARN N#Cc1ccc(C(=O)N2CCC[C@H](c3cc(-c4ccccc4)n[nH]3)C2)cc1 ZINC000065267605 205330576 /nfs/dbraw/zinc/33/05/76/205330576.db2.gz XBJDAJNHYCLYHH-IBGZPJMESA-N 0 0 356.429 3.968 50 30 FHEARN N#Cc1ccc(CN2c3ccccc3[C@@](O)(c3cccc(Cl)c3)C2=O)cc1 ZINC000065155483 205320658 /nfs/dbraw/zinc/32/06/58/205320658.db2.gz BWAWFLINGYOZJX-QFIPXVFZSA-N 0 0 374.827 3.994 50 30 FHEARN COc1cc(Cl)cc(-c2cc(-c3ccc[nH]3)nc(N)c2C#N)c1OC ZINC000071681186 205432996 /nfs/dbraw/zinc/43/29/96/205432996.db2.gz KUUSGBAXBFPRQI-UHFFFAOYSA-N 0 0 354.797 3.868 50 30 FHEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@H]2c1cc(Cl)ccc1O ZINC000018195908 220228108 /nfs/dbraw/zinc/22/81/08/220228108.db2.gz PAWHINORFNPCMC-ZDUSSCGKSA-N 0 0 359.813 3.675 50 30 FHEARN Cc1ccc(/C(Cl)=C(\C=N\N)c2cc(C#N)c(C#N)cc2[N+](=O)[O-])cc1 ZINC000096336793 205874791 /nfs/dbraw/zinc/87/47/91/205874791.db2.gz DFESXYXKOWTYIX-DLCJZXKTSA-N 0 0 365.780 3.698 50 30 FHEARN CC1(C)CC(=O)C(C(c2cccnc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100004481 205936426 /nfs/dbraw/zinc/93/64/26/205936426.db2.gz FTGCYVFTMWERHW-GOSISDBHSA-N 0 0 369.461 3.941 50 30 FHEARN CN(C)/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000100819866 205948980 /nfs/dbraw/zinc/94/89/80/205948980.db2.gz QRIPSMJYNDDUNL-SDXDJHTJSA-N 0 0 357.262 3.691 50 30 FHEARN COc1ccc(/N=C2/S/C(=C\c3ccc(O)c(OC)c3)C(=O)N2C)cc1 ZINC000100260714 205942229 /nfs/dbraw/zinc/94/22/29/205942229.db2.gz BYDALXQNCNENDF-GDOHLEIWSA-N 0 0 370.430 3.643 50 30 FHEARN C=CCNC(=O)[C@H]1CC[C@@H](c2cccc(C)c2)N(C(=O)C2CCCC2)C1 ZINC000037546076 206054481 /nfs/dbraw/zinc/05/44/81/206054481.db2.gz BALCCLSDOKFIJD-PMACEKPBSA-N 0 0 354.494 3.767 50 30 FHEARN N#Cc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2C#N)s1 ZINC000004176911 206171362 /nfs/dbraw/zinc/17/13/62/206171362.db2.gz WFHPNXWMKQXQJG-UHFFFAOYSA-N 0 0 372.409 3.996 50 30 FHEARN Cc1ccc(-c2nc3n(n2)[C@H](c2cccc(O)c2)C2C(=O)CCCC2=N3)cc1 ZINC000004279831 206174810 /nfs/dbraw/zinc/17/48/10/206174810.db2.gz TYYVCLIVZFGYIL-HXUWFJFHSA-N 0 0 372.428 3.981 50 30 FHEARN CCCOc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2ncnn21 ZINC000004368716 206175791 /nfs/dbraw/zinc/17/57/91/206175791.db2.gz KEFKBWBUAULCFO-GOSISDBHSA-N 0 0 352.438 3.725 50 30 FHEARN Cc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F ZINC000004119719 206167881 /nfs/dbraw/zinc/16/78/81/206167881.db2.gz JNCIHPVLYZXFKW-CFNZNRNTSA-N 0 0 360.763 3.696 50 30 FHEARN CC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccccc2)C1=O ZINC000004888150 206183967 /nfs/dbraw/zinc/18/39/67/206183967.db2.gz XLKKTKRVTWBFPK-RXSWUABFSA-N 0 0 367.474 3.939 50 30 FHEARN CC[C@]1(C)Cc2c(sc3nc(NN=C(C)C)n(C)c(=O)c23)CS1 ZINC000005218559 206191246 /nfs/dbraw/zinc/19/12/46/206191246.db2.gz LXLXJTMICICJPS-MRXNPFEDSA-N 0 0 350.513 3.761 50 30 FHEARN COc1ccccc1[C@H]1C2C(=O)C[C@@H](c3ccccc3)CC2=Nc2ncnn21 ZINC000005306490 206193959 /nfs/dbraw/zinc/19/39/59/206193959.db2.gz OCYJNRBKNOXALJ-BTYIYWSLSA-N 0 0 372.428 3.702 50 30 FHEARN C[C@@H](Sc1nc2cc(Cl)cnc2[nH]1)C(=O)Nc1cccc(C#N)c1 ZINC000005309936 206194169 /nfs/dbraw/zinc/19/41/69/206194169.db2.gz AJPLMMVSZHSOAB-SECBINFHSA-N 0 0 357.826 3.602 50 30 FHEARN CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000005305794 206194331 /nfs/dbraw/zinc/19/43/31/206194331.db2.gz IFYMIRHDLBQXKN-OAQYLSRUSA-N 0 0 365.408 3.835 50 30 FHEARN CN(Cc1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1C#N ZINC000007218194 206207182 /nfs/dbraw/zinc/20/71/82/206207182.db2.gz ZNHSECMJHRHSQJ-UHFFFAOYSA-N 0 0 355.246 3.686 50 30 FHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCCOc1ccc(C)cc1 ZINC000007672282 206211866 /nfs/dbraw/zinc/21/18/66/206211866.db2.gz VENLXVNVYSLMMR-UHFFFAOYSA-N 0 0 350.374 3.795 50 30 FHEARN C=CCN1c2ccc(NC(=O)Cc3cccs3)cc2OCC(C)(C)C1=O ZINC000008958744 206220899 /nfs/dbraw/zinc/22/08/99/206220899.db2.gz KNWHGAUDFGUBBF-UHFFFAOYSA-N 0 0 370.474 3.867 50 30 FHEARN C[C@@]12OC(=N)[C@@](C#N)([C@H]1c1ccccc1)C(C#N)(C#N)[C@@H](c1ccccc1)O2 ZINC000103000144 206230367 /nfs/dbraw/zinc/23/03/67/206230367.db2.gz SECSTAJUVLINRG-XHYAQGIWSA-N 0 0 368.396 3.809 50 30 FHEARN CC/N=C1/S/C(=C/c2cc(Cl)c(OC)c(OC)c2)C(=O)N1CC ZINC000005823480 206240191 /nfs/dbraw/zinc/24/01/91/206240191.db2.gz PBLPJDPIGBTGLS-PKOZXGCMSA-N 0 0 354.859 3.669 50 30 FHEARN N#Cc1ccc(Cl)cc1NC(=O)CNc1ccc(NC(=O)C2CC2)cc1 ZINC000010941429 206283231 /nfs/dbraw/zinc/28/32/31/206283231.db2.gz JCQOICPBYJNXFM-UHFFFAOYSA-N 0 0 368.824 3.611 50 30 FHEARN N#Cc1ccc(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)cc1 ZINC000011620742 206284595 /nfs/dbraw/zinc/28/45/95/206284595.db2.gz OTJYDCUOTUBRQR-UHFFFAOYSA-N 0 0 354.841 3.862 50 30 FHEARN Cc1ccc(S(=O)(=O)N=C(Nc2ccccn2)c2ccccc2)cc1 ZINC000013029831 206299300 /nfs/dbraw/zinc/29/93/00/206299300.db2.gz WFJFJQKHRVELDZ-UHFFFAOYSA-N 0 0 351.431 3.638 50 30 FHEARN C=CCNC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CCCC2 ZINC000002668433 206339579 /nfs/dbraw/zinc/33/95/79/206339579.db2.gz YBKVKBMTNVJVEC-UHFFFAOYSA-N 0 0 358.438 3.934 50 30 FHEARN N#Cc1ccc(NCC(=O)N2N=C(c3ccco3)C[C@H]2c2ccco2)cc1 ZINC000055530971 206381199 /nfs/dbraw/zinc/38/11/99/206381199.db2.gz PAUDFNPZISJPFQ-KRWDZBQOSA-N 0 0 360.373 3.534 50 30 FHEARN N#Cc1cccc(S(=O)(=O)N[C@H](Cc2ccccc2)c2ccccc2)c1 ZINC000022277349 206369115 /nfs/dbraw/zinc/36/91/15/206369115.db2.gz XMPWZXFLIGIOGM-OAQYLSRUSA-N 0 0 362.454 3.821 50 30 FHEARN O=C(/C=C/c1ccc(-n2cncn2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000058583002 206521296 /nfs/dbraw/zinc/52/12/96/206521296.db2.gz RBLFTIDQFBHKID-FPYGCLRLSA-N 0 0 354.753 3.725 50 30 FHEARN N#Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000022277356 220381478 /nfs/dbraw/zinc/38/14/78/220381478.db2.gz ZFJNSWWVYCZQGE-OAQYLSRUSA-N 0 0 362.454 3.821 50 30 FHEARN C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)CCCC)n3)cc21 ZINC000019820203 132373760 /nfs/dbraw/zinc/37/37/60/132373760.db2.gz ZZBUMRMIMATDGA-UHFFFAOYSA-N 0 0 371.462 3.850 50 30 FHEARN N#CC1=NN(c2ccc(OCc3ccccc3)cc2)[C@H]2CCCCCN2C1=O ZINC000033436177 132374340 /nfs/dbraw/zinc/37/43/40/132374340.db2.gz AGKLEMRDUDUPGJ-NRFANRHFSA-N 0 0 374.444 3.694 50 30 FHEARN N#Cc1nc(-c2cccnc2)oc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000035672297 136118242 /nfs/dbraw/zinc/11/82/42/136118242.db2.gz HAFYPDUTMAPTTO-UHFFFAOYSA-N 0 0 365.824 3.588 50 30 FHEARN O=C(/C=C/c1ccc2c(c1)OCO2)N1CCS/C1=N\Cc1ccccc1 ZINC000002642104 263145223 /nfs/dbraw/zinc/14/52/23/263145223.db2.gz UPUYMYMPUUJINC-QCOBJIBASA-N 0 0 366.442 3.560 50 30 FHEARN COc1ccc(C(=N)NOC(=O)c2ccc3ccccc3c2)cc1OC ZINC000004725334 263336336 /nfs/dbraw/zinc/33/63/36/263336336.db2.gz MIZZLGQSTBZXKN-UHFFFAOYSA-N 0 0 350.374 3.544 50 30 FHEARN COc1ccc(CCNC2=CC(=O)C[C@H](c3ccccc3)C2)cc1OC ZINC000004726006 263336355 /nfs/dbraw/zinc/33/63/55/263336355.db2.gz BOQQABBLHPYUEI-GOSISDBHSA-N 0 0 351.446 3.867 50 30 FHEARN COc1ccc(N=NC(=NNc2nc(C)cc(=O)[nH]2)c2ccccc2)cc1 ZINC000004730338 263336648 /nfs/dbraw/zinc/33/66/48/263336648.db2.gz JDLDAYFFQWZFRI-KEHXRJDYSA-N 0 0 362.393 3.645 50 30 FHEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)o2)c1C ZINC000005213876 263339570 /nfs/dbraw/zinc/33/95/70/263339570.db2.gz DXJFOUJKNJFHQF-UHFFFAOYSA-N 0 0 354.435 3.711 50 30 FHEARN N#CC1(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)CCCCC1 ZINC000005362100 263340484 /nfs/dbraw/zinc/34/04/84/263340484.db2.gz UNFXODSGEZFIQV-UHFFFAOYSA-N 0 0 360.479 3.516 50 30 FHEARN C=CCN(C(=O)CSc1nnc(C)n1-c1ccccc1)c1ccccc1 ZINC000007229750 263349731 /nfs/dbraw/zinc/34/97/31/263349731.db2.gz LUXLUHFKDNNOAU-UHFFFAOYSA-N 0 0 364.474 3.887 50 30 FHEARN C=CCOc1ccc(CN(C)Cc2nnc(-c3ccc(OC)cc3)o2)cc1 ZINC000009114625 263359414 /nfs/dbraw/zinc/35/94/14/263359414.db2.gz BJLRRVSWDHHILP-UHFFFAOYSA-N 0 0 365.433 3.942 50 30 FHEARN COc1ccccc1N=NC(=NNc1nc(C)cc(=O)[nH]1)c1ccccc1 ZINC000009136268 263359451 /nfs/dbraw/zinc/35/94/51/263359451.db2.gz KPRDRWYTLOOYSO-KEHXRJDYSA-N 0 0 362.393 3.645 50 30 FHEARN N#CC1CCN(C(=O)COc2ccc(C3SCCCS3)cc2)CC1 ZINC000058419516 263415768 /nfs/dbraw/zinc/41/57/68/263415768.db2.gz VWWMGEMHJPVYCT-UHFFFAOYSA-N 0 0 362.520 3.696 50 30 FHEARN CC(=O)N[C@H](CC(=O)Nc1ccccc1SCCC#N)c1ccccc1 ZINC000095953485 263429520 /nfs/dbraw/zinc/42/95/20/263429520.db2.gz CWVHVCQENVVBTF-GOSISDBHSA-N 0 0 367.474 3.898 50 30 FHEARN C#CCn1c2c(cccc2Cl)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100909852 518340638 /nfs/dbraw/zinc/34/06/38/518340638.db2.gz GSTBFEKYZLRYOF-ZPHPHTNESA-N 0 0 371.805 3.639 50 30 FHEARN C#CCn1c2ccc([N+](=O)[O-])cc2s/c1=N\C(=O)c1ccccc1Cl ZINC000100875425 518345205 /nfs/dbraw/zinc/34/52/05/518345205.db2.gz YILGJHKJOMJRIL-ZPHPHTNESA-N 0 0 371.805 3.639 50 30 FHEARN C=C(C)COc1c(OC)cccc1-c1c2c(nc(N)c1C#N)[C@@H](C)OC2 ZINC000071575326 518611392 /nfs/dbraw/zinc/61/13/92/518611392.db2.gz PLKMLKZURSWDQB-GFCCVEGCSA-N 0 0 351.406 3.757 50 30 FHEARN C=C(C[C@H](CN1CCOCC1)C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000020791612 518648443 /nfs/dbraw/zinc/64/84/43/518648443.db2.gz RDQKZBUUAHHHIL-OAQYLSRUSA-N 0 0 363.457 3.647 50 30 FHEARN C=C(Cl)COC(=O)c1ccccc1C(=O)c1ccc2c(c1)OCCO2 ZINC000022988053 518650565 /nfs/dbraw/zinc/65/05/65/518650565.db2.gz AVSRGJOWNJBTGN-UHFFFAOYSA-N 0 0 358.777 3.598 50 30 FHEARN C=CCN(C(=O)CSc1nccn1C)c1nc(-c2ccccc2)cs1 ZINC000006370315 518734449 /nfs/dbraw/zinc/73/44/49/518734449.db2.gz OCFSHEQCQFYJOH-UHFFFAOYSA-N 0 0 370.503 3.855 50 30 FHEARN C=CCN(CC(=O)Nc1nc(C)cs1)C(=O)[C@H](CC)c1ccccc1 ZINC000035746104 518758983 /nfs/dbraw/zinc/75/89/83/518758983.db2.gz SBTWNIASSJXXGH-MRXNPFEDSA-N 0 0 357.479 3.598 50 30 FHEARN C=CCN(Cc1ccc(C)s1)C(=O)[C@@H](C)n1cnc2ccccc2c1=O ZINC000055071612 518778660 /nfs/dbraw/zinc/77/86/60/518778660.db2.gz ORARGDJOJMVMBL-OAHLLOKOSA-N 0 0 367.474 3.542 50 30 FHEARN C=CCN(Cc1cccc(OC)c1)C(=O)CCn1c(C)nc2ccccc21 ZINC000055310725 518783587 /nfs/dbraw/zinc/78/35/87/518783587.db2.gz ZTXOACWLMABOPZ-UHFFFAOYSA-N 0 0 363.461 3.958 50 30 FHEARN C=CCNC(=O)CSc1nnc(-c2ccccc2F)n1C1CCCC1 ZINC000003295063 518900209 /nfs/dbraw/zinc/90/02/09/518900209.db2.gz ZTEDUQMKGFVDTB-UHFFFAOYSA-N 0 0 360.458 3.594 50 30 FHEARN C=CCOc1ccccc1/C=C/[C@]12NC(=O)CN1c1ccccc1C2(C)C ZINC000002112092 519064399 /nfs/dbraw/zinc/06/43/99/519064399.db2.gz FSNKQZMBDMMRJH-ZVQQDINOSA-N 0 0 360.457 3.889 50 30 biogenic FHEARN C=CCOc1ccccc1CN1CCN(c2ccccc2OCC)CC1 ZINC000055292166 519071440 /nfs/dbraw/zinc/07/14/40/519071440.db2.gz XICNPQFVNPLVIZ-UHFFFAOYSA-N 0 0 352.478 3.972 50 30 FHEARN C=CCn1c(C)nnc1S[C@H](C)C(=O)N[C@H](CCC)c1ccccc1 ZINC000032559446 519173899 /nfs/dbraw/zinc/17/38/99/519173899.db2.gz WQZOFLRECJYNJI-RHSMWYFYSA-N 0 0 358.511 3.911 50 30 FHEARN C=CCn1c(SCCc2ccccn2)nnc1-c1cccc([N+](=O)[O-])c1 ZINC000008710960 519235567 /nfs/dbraw/zinc/23/55/67/519235567.db2.gz WOAWRUIDYKHYTB-UHFFFAOYSA-N 0 0 367.434 3.769 50 30 FHEARN C=CCn1c(S[C@@H](C(N)=O)c2ccc(F)cc2)nnc1-c1ccccc1 ZINC000008748460 519249752 /nfs/dbraw/zinc/24/97/52/519249752.db2.gz OJMQZVBQQCIMOP-MRXNPFEDSA-N 0 0 368.437 3.589 50 30 FHEARN C=CCn1c2ccccc2nc1SCC(=O)NCCc1ccc(F)cc1 ZINC000004485602 519267819 /nfs/dbraw/zinc/26/78/19/519267819.db2.gz VFKISODWMZNQCG-UHFFFAOYSA-N 0 0 369.465 3.812 50 30 FHEARN CC(=O)NCc1ccc(C(=O)/C=C/c2c(C)nc3sc(C)cn23)s1 ZINC000008745601 519675598 /nfs/dbraw/zinc/67/55/98/519675598.db2.gz MJEWLYVBGNHGPQ-AATRIKPKSA-N 0 0 359.476 3.606 50 30 FHEARN CC(C)Oc1ccc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000003281951 519778936 /nfs/dbraw/zinc/77/89/36/519778936.db2.gz OZURBWFPUPFGCZ-UHFFFAOYSA-N 0 0 366.417 3.577 50 30 FHEARN CCCCCOc1ccc(NC2=C(N)C(=O)c3ccccc3C2=O)cc1 ZINC000027572213 520255481 /nfs/dbraw/zinc/25/54/81/520255481.db2.gz YJGBZNRYGIZENX-UHFFFAOYSA-N 0 0 350.418 3.917 50 30 FHEARN CCOc1cc(/C=C/C(=O)c2ccccc2C)ccc1OCC(=O)N(C)C ZINC000008322536 520619627 /nfs/dbraw/zinc/61/96/27/520619627.db2.gz HUCFXHVEKWGVKL-ZRDIBKRKSA-N 0 0 367.445 3.757 50 30 FHEARN CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(OCC)cc1)C2=O ZINC000009420635 520805717 /nfs/dbraw/zinc/80/57/17/520805717.db2.gz QIRACBCSBVYVCM-ODLFYWEKSA-N 0 0 368.385 3.643 50 30 FHEARN CCCCc1ccc(NC(=S)N/N=C2/C(=O)Nc3ccccc32)cc1 ZINC000004868753 521284370 /nfs/dbraw/zinc/28/43/70/521284370.db2.gz RGIGBTJPIFEGBE-UHFFFAOYSA-N 0 0 352.463 3.672 50 30 FHEARN CCOC(=O)c1c(C)[nH]c(C(=O)/C=C/c2ccc(OC)cc2OC)c1C ZINC000008321388 521374468 /nfs/dbraw/zinc/37/44/68/521374468.db2.gz KNZZAWJJZJAPPA-CSKARUKUSA-N 0 0 357.406 3.722 50 30 FHEARN CCOC(=O)c1c(C)[nH]c(C(=O)/C=C/c2cccc(OC)c2OC)c1C ZINC000008321383 521376302 /nfs/dbraw/zinc/37/63/02/521376302.db2.gz RSGHNHYSJNBJIO-ZHACJKMWSA-N 0 0 357.406 3.722 50 30 FHEARN CCOc1ccccc1/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000020191326 521447564 /nfs/dbraw/zinc/44/75/64/521447564.db2.gz YXGSQLPCNRQGEV-PXLXIMEGSA-N 0 0 357.885 3.890 50 30 FHEARN CCOc1ccccc1C=NN1CCN(Cc2ccccc2Cl)CC1 ZINC000243885558 521465643 /nfs/dbraw/zinc/46/56/43/521465643.db2.gz AAECBESBZOPERM-UHFFFAOYSA-N 0 0 357.885 3.890 50 30 FHEARN CCc1nc(SCC(=O)c2ccc(O)c(O)c2)c(C#N)c2c1CCCC2 ZINC000020120569 522410315 /nfs/dbraw/zinc/41/03/15/522410315.db2.gz NSCBAAFUNDZPBU-UHFFFAOYSA-N 0 0 368.458 3.781 50 30 FHEARN COc1ccc(C2N=NC(=S)N2N=Cc2ccc(SC)cc2)cc1 ZINC000239203319 523256520 /nfs/dbraw/zinc/25/65/20/523256520.db2.gz SDCOMVXXKDHLTO-UHFFFAOYSA-N 0 0 356.476 3.847 50 30 FHEARN COc1ccc(/C(C)=N\N=C2/NC(=O)[C@H](Cc3cccc(C)c3)S2)cc1 ZINC000015659990 523363231 /nfs/dbraw/zinc/36/32/31/523363231.db2.gz SPSBSBSUQXNRJA-GFHXCNCHSA-N 0 0 367.474 3.558 50 30 FHEARN COc1ccc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc1OC ZINC000007350107 523402118 /nfs/dbraw/zinc/40/21/18/523402118.db2.gz VVHULDWSTUPORG-CSKARUKUSA-N 0 0 351.402 3.727 50 30 FHEARN CCc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)s1 ZINC000004322195 523736685 /nfs/dbraw/zinc/73/66/85/523736685.db2.gz VMFJFMWTYMQKSL-OVCLIPMQSA-N 0 0 350.356 3.582 50 30 FHEARN CCc1ccc(C(=O)/C=C/c2ccc(OCCN3CCOCC3)cc2)s1 ZINC000036611174 523877357 /nfs/dbraw/zinc/87/73/57/523877357.db2.gz XFEZKXOGCFRSQB-WEVVVXLNSA-N 0 0 371.502 3.918 50 30 FHEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000102957848 524034299 /nfs/dbraw/zinc/03/42/99/524034299.db2.gz HDHYGGXQTGIXAM-ODLFYWEKSA-N 0 0 370.380 3.993 50 30 FHEARN COc1ccccc1/C=C/C=N/N1CCN(c2ccccc2OC)CC1 ZINC000001743387 524317189 /nfs/dbraw/zinc/31/71/89/524317189.db2.gz IOEFSUWPUYWYBZ-FHGPVCLNSA-N 0 0 351.450 3.525 50 30 FHEARN COc1ccccc1C=CC=NN1C(=S)N=NC1COc1ccccc1 ZINC000002332770 524317597 /nfs/dbraw/zinc/31/75/97/524317597.db2.gz FLYVRNTWBAQBNY-MUBRZRMLSA-N 0 0 366.446 3.702 50 30 FHEARN COc1ccccc1NC(=N)SCc1cc2c(c(Cl)c1)OCO2 ZINC000029491132 524328440 /nfs/dbraw/zinc/32/84/40/524328440.db2.gz ZKQKTPOWNMPLLW-UHFFFAOYSA-N 0 0 350.827 3.957 50 30 FHEARN C[C@H]1CCc2ccccc2N1C(=O)CON=C(N)Cc1ccccc1Cl ZINC000058497870 524439822 /nfs/dbraw/zinc/43/98/22/524439822.db2.gz VIRWPFIQWZZAHF-AWEZNQCLSA-N 0 0 371.868 3.539 50 30 FHEARN Cc1cc(N(CCC#N)C(=O)CSc2nncs2)ccc1Cl ZINC000011577931 525031566 /nfs/dbraw/zinc/03/15/66/525031566.db2.gz AWNSBCVCDJGARP-UHFFFAOYSA-N 0 0 352.872 3.539 50 30 FHEARN Cc1cccn2c(=O)c(C=NNc3ccccc3)c(NCc3ccco3)nc12 ZINC000004134591 525458666 /nfs/dbraw/zinc/45/86/66/525458666.db2.gz ZCYPMAQJCQUWCT-OEAKJJBVSA-N 0 0 373.416 3.654 50 30 FHEARN Cc1c(/C=N/n2cnnc2)c2ccccc2n1CCOc1ccccc1C ZINC000002978061 525522723 /nfs/dbraw/zinc/52/27/23/525522723.db2.gz ONQOCKDDKMBMFB-ZMOGYAJESA-N 0 0 359.433 3.811 50 30 FHEARN C[C@@]12CC[C@H]3[C@@H](C[C@@H](CN4CC4)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(C)O ZINC000261491961 525914580 /nfs/dbraw/zinc/91/45/80/525914580.db2.gz MUIGAJJYQBDLDV-NGQOLSHVSA-N 0 0 357.538 3.811 50 30 FHEARN S=C(NCCc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000082124368 526383204 /nfs/dbraw/zinc/38/32/04/526383204.db2.gz MQHZEXQCGDCGES-KPKJPENVSA-N 0 0 365.546 3.846 50 30 FHEARN O=C(O/N=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1cccs1 ZINC000004053402 526414492 /nfs/dbraw/zinc/41/44/92/526414492.db2.gz VZURMTIDTCYLFJ-LDADJPATSA-N 0 0 359.407 3.838 50 30 FHEARN O=C(c1cccs1)C1=C(O)C(=O)N[C@@H]1c1ccc(Cl)cc1Cl ZINC000015921903 526834021 /nfs/dbraw/zinc/83/40/21/526834021.db2.gz IJHCVZIIKVFHNS-GFCCVEGCSA-N 0 0 354.214 3.921 50 30 FHEARN Cc1sc2nc(C)nc(SCC(=O)N[C@@](C)(C#N)C3CC3)c2c1C ZINC000004799436 526889222 /nfs/dbraw/zinc/88/92/22/526889222.db2.gz UMPUUQSTICFODD-KRWDZBQOSA-N 0 0 360.508 3.517 50 30 FHEARN Clc1ccc(CON=CCc2nnc(-c3cccnc3)[nH]2)c(Cl)c1 ZINC000005945155 526950111 /nfs/dbraw/zinc/95/01/11/526950111.db2.gz OYBNNMDMQQJUAW-IFRROFPPSA-N 0 0 362.220 3.919 50 30 FHEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1cccs1)c1ccccc1 ZINC000102930593 526955485 /nfs/dbraw/zinc/95/54/85/526955485.db2.gz LRFRHTIQYUDRBV-HVESIFNPSA-N 0 0 365.410 3.963 50 30 FHEARN O=C1N/C(=N/C2CCCC2)S/C1=C/c1cccc(Br)c1 ZINC000096121193 527040892 /nfs/dbraw/zinc/04/08/92/527040892.db2.gz LYCZHRJWXUDQKH-UKTHLTGXSA-N 0 0 351.269 3.952 50 30 FHEARN OCC#Cc1csc(CN(Cc2nccs2)Cc2ccccc2)c1 ZINC000063882822 527521478 /nfs/dbraw/zinc/52/14/78/527521478.db2.gz ATCMFHZRPBTSCR-UHFFFAOYSA-N 0 0 354.500 3.751 50 30 FHEARN O=C(/C=C/c1cnc(-c2ccccc2)nc1)c1cccc(N2CCOC2=O)c1 ZINC000063556694 527646671 /nfs/dbraw/zinc/64/66/71/527646671.db2.gz MJCWKHWSBQMUMJ-MDZDMXLPSA-N 0 0 371.396 3.996 50 30 FHEARN C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(F)cc2)c1NC(=O)CC ZINC000012322394 568171760 /nfs/dbraw/zinc/17/17/60/568171760.db2.gz PFLUOLXODDYFSU-UHFFFAOYSA-N 0 0 364.442 3.611 50 30 FHEARN N#C/C(=N\OC(=O)Cc1ccc(Cl)cc1)c1nc2ccccc2s1 ZINC000003172086 568222978 /nfs/dbraw/zinc/22/29/78/568222978.db2.gz UEKRDCIZEHRSEE-KGENOOAVSA-N 0 0 355.806 3.963 50 30 FHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccncc2)o1 ZINC000000796006 568237591 /nfs/dbraw/zinc/23/75/91/568237591.db2.gz RPISMGVUDATWHP-LJQANCHMSA-N 0 0 374.396 3.762 50 30 FHEARN CC(=O)Nc1ccc2nc(NC(=O)c3ccc(C#N)cc3F)sc2c1 ZINC000000814055 568284132 /nfs/dbraw/zinc/28/41/32/568284132.db2.gz JYNMTRPUVGIMJT-UHFFFAOYSA-N 0 0 354.366 3.518 50 30 FHEARN C=CCOC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1 ZINC000002902288 568410563 /nfs/dbraw/zinc/41/05/63/568410563.db2.gz CYTZHZDUSVEGMB-UHFFFAOYSA-N 0 0 364.397 3.800 50 30 FHEARN COc1ccc(Br)cc1/C=N/NC(=S)Nc1ccccc1 ZINC000000731182 570454067 /nfs/dbraw/zinc/45/40/67/570454067.db2.gz TXOQLLOOXSHJEY-LICLKQGHSA-N 0 0 364.268 3.778 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000000861750 570461428 /nfs/dbraw/zinc/46/14/28/570461428.db2.gz LCNHMTWIHYLEKA-UYAOXDASSA-N 0 0 365.385 3.914 50 30 aggregator FHEARN Cc1ncsc1CC[N@@H+](C)[C@H](C(=O)[O-])c1ccc(C(C)(C)C#N)cc1 ZINC000095501465 570462720 /nfs/dbraw/zinc/46/27/20/570462720.db2.gz BBCDSKCWDPHJAT-KRWDZBQOSA-N 0 0 357.479 3.553 50 30 FHEARN CCCc1c(C(=O)O/N=C/c2ccc(C#N)cc2)cnn1-c1ccccc1 ZINC000001026476 570472032 /nfs/dbraw/zinc/47/20/32/570472032.db2.gz CFZQYEHZDDEAIM-ZVHZXABRSA-N 0 0 358.401 3.887 50 30 FHEARN C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(Br)s1 ZINC000001217709 570494085 /nfs/dbraw/zinc/49/40/85/570494085.db2.gz WZZIIJUCNTZIMQ-XNTDXEJSSA-N 0 0 373.297 3.522 50 30 FHEARN COc1ccccc1/C=N/N=C1/NC(=O)[C@@H](Cc2cccc(Cl)c2)S1 ZINC000001220118 570494909 /nfs/dbraw/zinc/49/49/09/570494909.db2.gz FONFWOADZKUQFU-MBTVCVBTSA-N 0 0 373.865 3.513 50 30 FHEARN C[C@@H]1/C(=N\O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000100220428 570501544 /nfs/dbraw/zinc/50/15/44/570501544.db2.gz LFGUOKSONBHVJF-ZBOAGNCASA-N 0 0 370.365 3.745 50 30 FHEARN COc1cccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)c1 ZINC000100625622 570506094 /nfs/dbraw/zinc/50/60/94/570506094.db2.gz ANHPIDGOMGWUKZ-UHFFFAOYSA-N 0 0 362.429 3.884 50 30 FHEARN N#Cc1ccccc1S(=O)(=O)N(Cc1c(F)cccc1Cl)C1CC1 ZINC000014189014 570518711 /nfs/dbraw/zinc/51/87/11/570518711.db2.gz FUATWWDGFCZYKD-UHFFFAOYSA-N 0 0 364.829 3.704 50 30 FHEARN C=CCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000257173674 570525844 /nfs/dbraw/zinc/52/58/44/570525844.db2.gz URXFLOPQWGWCHW-RBUKOAKNSA-N 0 0 368.502 3.987 50 30 FHEARN N#Cc1ccccc1-c1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)o1 ZINC000072164663 570526404 /nfs/dbraw/zinc/52/64/04/570526404.db2.gz WTCCYUZOFKUOIH-QGZVFWFLSA-N 0 0 357.413 3.713 50 30 FHEARN NC(=O)C(=NNc1c(Cl)cccc1Cl)c1nc2ccccc2s1 ZINC000368147617 570570884 /nfs/dbraw/zinc/57/08/84/570570884.db2.gz VALRLCPOWPCTCL-UHFFFAOYSA-N 0 0 365.245 3.905 50 30 FHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 ZINC000100562981 570574457 /nfs/dbraw/zinc/57/44/57/570574457.db2.gz MDJAZZVPALFEBH-GOSISDBHSA-N 0 0 354.450 3.639 50 30 FHEARN Cc1cc(Cl)ccc1N1CC(=O)C(c2nc3ccccc3s2)=C1N ZINC000005009223 570574478 /nfs/dbraw/zinc/57/44/78/570574478.db2.gz SKTRAIDRIMYCBH-UHFFFAOYSA-N 0 0 355.850 3.975 50 30 FHEARN C=CCC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1 ZINC000011761438 570594696 /nfs/dbraw/zinc/59/46/96/570594696.db2.gz KKPJFHGPBLCVPH-HXUWFJFHSA-N 0 0 364.445 3.868 50 30 FHEARN C=CCn1c(SC[C@H](O)c2ccccc2)nnc1-c1ccc(OC)cc1 ZINC000011811324 570595461 /nfs/dbraw/zinc/59/54/61/570595461.db2.gz PFDHDMUJESIOPV-SFHVURJKSA-N 0 0 367.474 3.965 50 30 FHEARN CSc1ccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1 ZINC000024260156 570625947 /nfs/dbraw/zinc/62/59/47/570625947.db2.gz UBQKPAGPGJPPMU-UHFFFAOYSA-N 0 0 352.463 3.530 50 30 FHEARN C=CCOc1ccc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000002784932 570671346 /nfs/dbraw/zinc/67/13/46/570671346.db2.gz BUCLBOLCFGVLPE-LDADJPATSA-N 0 0 368.820 3.998 50 30 FHEARN Cc1nn(-c2ccccc2)c(C)c1/C=N\N1CCN(c2ccccc2)CC1 ZINC000012372215 570739639 /nfs/dbraw/zinc/73/96/39/570739639.db2.gz ITEMLMXMYOMKQF-QJOMJCCJSA-N 0 0 359.477 3.645 50 30 FHEARN CC(=O)Nc1ccc([C@@H]2C3=C(CCCC3=O)O[C@H]3CCCC(=O)[C@H]23)cc1 ZINC000012379613 570740434 /nfs/dbraw/zinc/74/04/34/570740434.db2.gz FSGGLVGJQVCFIE-IHPCNDPISA-N 0 0 353.418 3.504 50 30 FHEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cccs1 ZINC000012385073 570740945 /nfs/dbraw/zinc/74/09/45/570740945.db2.gz UIUNWMXQKVVVBW-DPZKZMLUSA-N 0 0 368.458 3.979 50 30 FHEARN COc1ccc([C@@H]2NC(=O)N(C)C=C2C(=O)C=Cc2ccc(C)cc2)cc1 ZINC000012407677 570742572 /nfs/dbraw/zinc/74/25/72/570742572.db2.gz BSKJQLBIFMYDKB-LNYGYFNRSA-N 0 0 362.429 3.866 50 30 FHEARN C=CCOC(=O)COc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1 ZINC000004340099 570749843 /nfs/dbraw/zinc/74/98/43/570749843.db2.gz MDIXHPMWRCSBON-UHFFFAOYSA-N 0 0 350.370 3.876 50 30 FHEARN C=CCSc1ccccc1NC(=O)CN1c2ccccc2OCCC1=O ZINC000032744673 570790313 /nfs/dbraw/zinc/79/03/13/570790313.db2.gz TYPWPFFQPUZPJS-UHFFFAOYSA-N 0 0 368.458 3.719 50 30 FHEARN Cc1ccccc1-c1noc(CSCC(=O)Nc2ccccc2C#N)n1 ZINC000032779177 570798866 /nfs/dbraw/zinc/79/88/66/570798866.db2.gz CDPZXAQWMVHLAQ-UHFFFAOYSA-N 0 0 364.430 3.789 50 30 FHEARN Cc1nc2sc3c(c2c(N2CCc4c(C#N)c(N)sc4C2)n1)CCC3 ZINC000018175309 570814005 /nfs/dbraw/zinc/81/40/05/570814005.db2.gz BJEVLEYYPODUKW-UHFFFAOYSA-N 0 0 367.503 3.567 50 30 FHEARN CCCCCCCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc(C)cc1 ZINC000101285072 570818148 /nfs/dbraw/zinc/81/81/48/570818148.db2.gz RNDXQBKSPDJOSE-SFHVURJKSA-N 0 0 369.469 3.784 50 30 FHEARN CCC(=O)Nc1ccc(NC(=O)C(O)=CC(=O)c2ccc(C)cc2)cc1 ZINC000101355243 570818925 /nfs/dbraw/zinc/81/89/25/570818925.db2.gz FNTPKYCNIWUNBB-PDGQHHTCSA-N 0 0 352.390 3.607 50 30 FHEARN COc1cccc(N2C(=O)C(=O)C(=C(C)O)[C@@H]2c2ccc(Cl)cc2)c1 ZINC000018322986 570823324 /nfs/dbraw/zinc/82/33/24/570823324.db2.gz WPROYJVVXSOJPW-KRWDZBQOSA-N 0 0 357.793 3.838 50 30 FHEARN COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(C)cc1 ZINC000102530993 570832544 /nfs/dbraw/zinc/83/25/44/570832544.db2.gz LOZZUJQLNPUBCN-HVESIFNPSA-N 0 0 371.458 3.515 50 30 FHEARN COc1cccc(CCC(=O)OCc2cn3ccccc3c2C#N)c1OC ZINC000032898856 570836714 /nfs/dbraw/zinc/83/67/14/570836714.db2.gz FLAVDZQYCILERH-UHFFFAOYSA-N 0 0 364.401 3.504 50 30 FHEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)no1 ZINC000102805524 570838232 /nfs/dbraw/zinc/83/82/32/570838232.db2.gz JGZUCISDUCPYFX-GHNGSUTGSA-N 0 0 360.369 3.609 50 30 FHEARN Cc1ccc(S(=O)(=O)N=C(Nc2ccccn2)c2ccc(F)cc2)cc1 ZINC000016319403 570854850 /nfs/dbraw/zinc/85/48/50/570854850.db2.gz JIXUAOBACGLQEY-UHFFFAOYSA-N 0 0 369.421 3.777 50 30 FHEARN N#Cc1ccc(OC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)cc1 ZINC000014856852 570870354 /nfs/dbraw/zinc/87/03/54/570870354.db2.gz WWRRMBUFXAXVHU-UHFFFAOYSA-N 0 0 361.376 3.981 50 30 FHEARN Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3sc(C)c(C)c3C#N)c12 ZINC000105589725 570873798 /nfs/dbraw/zinc/87/37/98/570873798.db2.gz OHEGAOMRKBLJMZ-UHFFFAOYSA-N 0 0 365.462 3.956 50 30 FHEARN O=C1N/C(=N\N=C\c2ccccc2Cl)S[C@H]1Cc1ccc(F)cc1 ZINC000018209079 570876850 /nfs/dbraw/zinc/87/68/50/570876850.db2.gz FZRYJXVHJVTGSH-VYXQJKENSA-N 0 0 361.829 3.643 50 30 FHEARN C#CCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@@H]1CCc2ccccc21 ZINC000047406002 570887400 /nfs/dbraw/zinc/88/74/00/570887400.db2.gz FQEQAMANRUGHQP-HXUWFJFHSA-N 0 0 364.401 3.584 50 30 FHEARN N#C[C@@H](C(=O)OCc1ccccc1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000019735918 570901339 /nfs/dbraw/zinc/90/13/39/570901339.db2.gz KXVPEFWSHRPGBO-CQSZACIVSA-N 0 0 364.279 3.964 50 30 FHEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@H](c3ccc4c(c3)OCO4)[C@@H]12 ZINC000019832080 570904435 /nfs/dbraw/zinc/90/44/35/570904435.db2.gz UTFDOICSYNMKMM-PZJWPPBQSA-N 0 0 371.392 3.821 50 30 FHEARN COC(=O)C1=C(C)NC(=Cc2cc(C)n(-c3ccccc3Cl)c2C)C1=O ZINC000019859110 570904798 /nfs/dbraw/zinc/90/47/98/570904798.db2.gz OQHVLVVUWZWDAA-YBEGLDIGSA-N 0 0 370.836 3.708 50 30 FHEARN COc1cccc(NC(=NC(=O)c2ccccc2C)NCc2ccncc2)c1 ZINC000045940161 570915112 /nfs/dbraw/zinc/91/51/12/570915112.db2.gz FSCHODRMJQWURL-UHFFFAOYSA-N 0 0 374.444 3.797 50 30 FHEARN O=C(N=C(NCc1ccccn1)Nc1cccc(F)c1)c1cccc(F)c1 ZINC000046126380 570927142 /nfs/dbraw/zinc/92/71/42/570927142.db2.gz GDLUMWHFVBQNML-UHFFFAOYSA-N 0 0 366.371 3.758 50 30 FHEARN O=C(N=C(NCc1cccnc1)Nc1cccc(F)c1)c1ccc(F)cc1 ZINC000046128175 570927583 /nfs/dbraw/zinc/92/75/83/570927583.db2.gz KJBIBTBOEDROSK-UHFFFAOYSA-N 0 0 366.371 3.758 50 30 FHEARN Cc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(C)cc2C)c1 ZINC000046130048 570928008 /nfs/dbraw/zinc/92/80/08/570928008.db2.gz XKXOVQQAQNLZQI-LJQANCHMSA-N 0 0 365.477 3.989 50 30 FHEARN Cc1ccc(NC(=NC(=O)c2cccc(F)c2)NC[C@H]2CCCO2)cc1 ZINC000046130344 570928046 /nfs/dbraw/zinc/92/80/46/570928046.db2.gz IJYVWAVKUUYDOL-GOSISDBHSA-N 0 0 355.413 3.511 50 30 FHEARN Cc1ccc(C)c(NC(=NC(=O)c2cccc(F)c2)NC[C@@H]2CCCO2)c1 ZINC000046130147 570928143 /nfs/dbraw/zinc/92/81/43/570928143.db2.gz XAXDFXKFZRCHCN-SFHVURJKSA-N 0 0 369.440 3.819 50 30 FHEARN CCc1cccc(NC(=NC(=O)c2cccc(C)c2)NC[C@H]2CCCO2)c1 ZINC000046130766 570928583 /nfs/dbraw/zinc/92/85/83/570928583.db2.gz SPGOHHJNLDYLES-HXUWFJFHSA-N 0 0 365.477 3.934 50 30 FHEARN Cc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(F)c2)cc1C ZINC000046131829 570928847 /nfs/dbraw/zinc/92/88/47/570928847.db2.gz KDTRUEZJGKFIIG-LJQANCHMSA-N 0 0 369.440 3.819 50 30 FHEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccnc1 ZINC000022520957 570945421 /nfs/dbraw/zinc/94/54/21/570945421.db2.gz YQIOYIPSPCELDE-KRWDZBQOSA-N 0 0 354.450 3.639 50 30 FHEARN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000023220073 570959608 /nfs/dbraw/zinc/95/96/08/570959608.db2.gz BKZHKCXQEHTTQR-SUMWQHHRSA-N 0 0 355.404 3.580 50 30 FHEARN Fc1ccc(-c2cc(C(F)(F)F)n3nc(C(F)(F)F)nc3n2)cc1 ZINC000026779601 571008331 /nfs/dbraw/zinc/00/83/31/571008331.db2.gz MGFNXEMEBGEHBC-UHFFFAOYSA-N 0 0 350.197 3.968 50 30 FHEARN C=CCOC(=O)COc1ccc2c(c1)oc(=O)cc2-c1ccc(OC)cc1 ZINC000002993493 571017543 /nfs/dbraw/zinc/01/75/43/571017543.db2.gz MHTDHYYQRWZVJE-UHFFFAOYSA-N 0 0 366.369 3.577 50 30 biogenic FHEARN C=CCN1C(=O)N[C@H](c2cccc(C(F)(F)F)c2)C(C(=O)OCC)=C1C ZINC000008323718 571039629 /nfs/dbraw/zinc/03/96/29/571039629.db2.gz YPCYVGCILQWOAW-OAHLLOKOSA-N 0 0 368.355 3.795 50 30 FHEARN C=C(C)COc1cccc(C(=O)N2CCC(O)(c3ccccc3)CC2)c1 ZINC000055119107 571058161 /nfs/dbraw/zinc/05/81/61/571058161.db2.gz FUQCTMDMXCTHQZ-UHFFFAOYSA-N 0 0 351.446 3.765 50 30 FHEARN Oc1cc(C=NNc2cccc3cccnc32)cc(Br)c1O ZINC000032593006 571058586 /nfs/dbraw/zinc/05/85/86/571058586.db2.gz RTWRAQKKOZEZJA-OCKHKDLRSA-N 0 0 358.195 3.855 50 30 FHEARN C=CCSC1=Nc2c(cnn2-c2cccc(Cl)c2)C2=NCCCN12 ZINC000012391393 571084185 /nfs/dbraw/zinc/08/41/85/571084185.db2.gz HIXATSMTLNAXQG-UHFFFAOYSA-N 0 0 357.870 3.898 50 30 FHEARN N#Cc1ccc(-c2nc(-c3cccc(C(=O)N4CCCCC4)c3)no2)cc1 ZINC000032996624 571085128 /nfs/dbraw/zinc/08/51/28/571085128.db2.gz ZAHAGCRWNISODX-UHFFFAOYSA-N 0 0 358.401 3.901 50 30 FHEARN O=S(=O)(C#Cc1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000084517736 571087456 /nfs/dbraw/zinc/08/74/56/571087456.db2.gz SXMFIOOGCAXQRY-KRWDZBQOSA-N 0 0 368.483 3.772 50 30 FHEARN C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2 ZINC000004911488 571102460 /nfs/dbraw/zinc/10/24/60/571102460.db2.gz XDGLSSKVLQYWOS-AWEZNQCLSA-N 0 0 369.417 3.596 50 30 FHEARN CC1(C)Cc2c(C#N)c(NC(=S)NCc3ccccc3)sc2CO1 ZINC000000870828 571106628 /nfs/dbraw/zinc/10/66/28/571106628.db2.gz STUHECVHGIEQOQ-UHFFFAOYSA-N 0 0 357.504 3.958 50 30 FHEARN C=CCn1c(SCc2cn3cccc(C)c3n2)nc2ccsc2c1=O ZINC000009366949 571106739 /nfs/dbraw/zinc/10/67/39/571106739.db2.gz DRFQAENNGZZXBK-UHFFFAOYSA-N 0 0 368.487 3.892 50 30 FHEARN CCOc1ccc(/C=C2\Oc3cc(OC(=O)N(C)C)ccc3C2=O)cc1 ZINC000009420014 571108476 /nfs/dbraw/zinc/10/84/76/571108476.db2.gz LZKBDUBCHWJETN-WQRHYEAKSA-N 0 0 353.374 3.762 50 30 FHEARN C=CCSc1nnc(NC(=O)c2cc(=O)c3ccc(C)c(C)c3o2)s1 ZINC000009302888 571113285 /nfs/dbraw/zinc/11/32/85/571113285.db2.gz VZTIYQJEIQGTDE-UHFFFAOYSA-N 0 0 373.459 3.792 50 30 FHEARN CCOc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)OC)ccc3C2=O)cc1 ZINC000009575442 571113762 /nfs/dbraw/zinc/11/37/62/571113762.db2.gz PQLBODWTDKPXDH-JFENUBAZSA-N 0 0 368.385 3.642 50 30 FHEARN Cc1ccc(-c2cc(-c3ccc(OC(C)C)c(CO)c3)c(C#N)c(N)n2)nc1 ZINC000071416128 571119927 /nfs/dbraw/zinc/11/99/27/571119927.db2.gz HADMYURTSGIVEG-UHFFFAOYSA-N 0 0 374.444 3.852 50 30 FHEARN O=C1N/C(=N/c2ccc(Cl)cc2)S[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000013382037 571119936 /nfs/dbraw/zinc/11/99/36/571119936.db2.gz PXXCPVPYRLIKIV-AWEZNQCLSA-N 0 0 361.810 3.710 50 30 FHEARN C=CCN1C(=O)N/C(=C/c2ccc(-c3cccc(Br)c3)o2)C1=O ZINC000013841713 571120258 /nfs/dbraw/zinc/12/02/58/571120258.db2.gz XMAJTCDEXDLHMC-GXDHUFHOSA-N 0 0 373.206 3.788 50 30 FHEARN C#CCOc1c(CC=C)cc(/C=C2/SC(=O)N(CC)C2=O)cc1OCC ZINC000013881350 571120270 /nfs/dbraw/zinc/12/02/70/571120270.db2.gz JZWLOTFNYMREPA-GHRIWEEISA-N 0 0 371.458 3.882 50 30 FHEARN C#CCN1C(=O)S/C(=C\c2c(OC)ccc3ccc(OC)cc32)C1=O ZINC000013942579 571120668 /nfs/dbraw/zinc/12/06/68/571120668.db2.gz DJPSZVIMTVHSEW-BOPFTXTBSA-N 0 0 353.399 3.527 50 30 FHEARN CCn1cc(-c2cc(-c3cnc(OC)nc3)c(C#N)c(N)n2)c2ccccc21 ZINC000071440023 571121335 /nfs/dbraw/zinc/12/13/35/571121335.db2.gz ZINKICXYAFPNCN-UHFFFAOYSA-N 0 0 370.416 3.643 50 30 FHEARN O=C(C#Cc1ccccc1)N1CCC[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000014971537 571121539 /nfs/dbraw/zinc/12/15/39/571121539.db2.gz JTMIARIHHMITKI-SFHVURJKSA-N 0 0 351.833 3.813 50 30 FHEARN C=CCSc1nn(CC)c2nc3c(c(=O)n12)C(C)(C)Cc1ccccc1-3 ZINC000015839446 571122457 /nfs/dbraw/zinc/12/24/57/571122457.db2.gz XTMHKNAPMRGDGI-UHFFFAOYSA-N 0 0 366.490 3.690 50 30 FHEARN C=C(C)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OCC)cc1)C2=O ZINC000016246700 571122464 /nfs/dbraw/zinc/12/24/64/571122464.db2.gz HBWYEHYXSRXDHM-UHFFFAOYSA-N 0 0 365.385 3.619 50 30 FHEARN C#Cc1cccc(NC(=O)C[C@H](C)S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001034974 571123439 /nfs/dbraw/zinc/12/34/39/571123439.db2.gz NTQVYNBWTQHADK-ZDUSSCGKSA-N 0 0 361.850 3.512 50 30 FHEARN C=CCNC(=O)c1ccccc1NC(=O)CSCc1ccc(C)cc1 ZINC000002093859 571124623 /nfs/dbraw/zinc/12/46/23/571124623.db2.gz FIQQWZVPSUHBSD-UHFFFAOYSA-N 0 0 354.475 3.783 50 30 FHEARN COc1cccc(-n2c(Nc3ccc(CC#N)cc3)c3[nH]cccc-3c2=O)c1 ZINC000015822030 571129039 /nfs/dbraw/zinc/12/90/39/571129039.db2.gz PTTVLLKJFDNXCG-OAQYLSRUSA-N 0 0 370.412 3.927 50 30 FHEARN CCOc1ccccc1OCCCC(=O)N(C)Cc1cccc(C#N)c1 ZINC000025102607 571129845 /nfs/dbraw/zinc/12/98/45/571129845.db2.gz WTSMLXTZJQAEMD-UHFFFAOYSA-N 0 0 352.434 3.775 50 30 FHEARN CCOP(=O)(Cc1c(C#N)c(C#N)c(N)n1-c1ccc(C)cc1)OCC ZINC000015084182 571129888 /nfs/dbraw/zinc/12/98/88/571129888.db2.gz HJDGPKCMHZGWSF-UHFFFAOYSA-N 0 0 372.365 3.877 50 30 FHEARN CN(C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)C1(C#N)CCC1 ZINC000058414447 571132526 /nfs/dbraw/zinc/13/25/26/571132526.db2.gz FFSLLMQDXGZJMK-FQEVSTJZSA-N 0 0 358.445 3.899 50 30 FHEARN C=CCc1cc(/C=C2/S/C(=N\C3CCCC3)NC2=O)cc(OC)c1O ZINC000096402491 571136389 /nfs/dbraw/zinc/13/63/89/571136389.db2.gz RZFGQTGAIAZMED-LFIBNONCSA-N 0 0 358.463 3.632 50 30 FHEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(C)cc1 ZINC000019898689 571141036 /nfs/dbraw/zinc/14/10/36/571141036.db2.gz OGRWNCJFOCTHSO-UHFFFAOYSA-N 0 0 367.445 3.688 50 30 FHEARN CCc1nc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2cc(C)ccc2C)n1 ZINC000012894591 571142825 /nfs/dbraw/zinc/14/28/25/571142825.db2.gz MSYHZNDSHNRSQZ-AWEZNQCLSA-N 0 0 354.479 3.955 50 30 FHEARN COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(F)cc2)C[C@@H]1c1ccc(OC)cc1 ZINC000001079988 571145613 /nfs/dbraw/zinc/14/56/13/571145613.db2.gz PITPOKMPKVZPRG-QUCCMNQESA-N 0 0 369.392 3.676 50 30 FHEARN CCOc1ccc(C2=N/C(=C/c3ccc(C#N)cc3)C(=O)O2)cc1OCC ZINC000096635045 571145772 /nfs/dbraw/zinc/14/57/72/571145772.db2.gz VVKJUTIAQXQXLL-GZTJUZNOSA-N 0 0 362.385 3.700 50 30 FHEARN COc1cccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1OC ZINC000023881477 571147396 /nfs/dbraw/zinc/14/73/96/571147396.db2.gz JLKDKEUVUBIRDN-UHFFFAOYSA-N 0 0 358.397 3.751 50 30 FHEARN N#Cc1c(NC(=O)[C@H]2CC(=O)OC23CCCCC3)sc2c1CCCC2 ZINC000001167460 571148701 /nfs/dbraw/zinc/14/87/01/571148701.db2.gz WSHHPMASUIPYIX-CQSZACIVSA-N 0 0 358.463 3.703 50 30 FHEARN O=C(Cc1cn2ccccc2n1)Nc1cccc(C#Cc2cccs2)c1 ZINC000029824216 571151031 /nfs/dbraw/zinc/15/10/31/571151031.db2.gz OHRPWCIYDCYMLC-UHFFFAOYSA-N 0 0 357.438 3.977 50 30 FHEARN CC(=O)C1=C2C[C@@H](c3ccccc3)N(Cc3ccccc3)C[C@]2(C)OC1=O ZINC000075271038 571158786 /nfs/dbraw/zinc/15/87/86/571158786.db2.gz PABCIRHVJYRDQO-REWPJTCUSA-N 0 0 361.441 3.835 50 30 FHEARN N#Cc1cc([N+](=O)[O-])c(N2CCC(c3nc4ccccc4[nH]3)CC2)cc1C#N ZINC000004698212 571163220 /nfs/dbraw/zinc/16/32/20/571163220.db2.gz BVNRKNTUUCHRLK-UHFFFAOYSA-N 0 0 372.388 3.598 50 30 FHEARN COC(=O)O[C@H]1C=CC(=O)[C@H](C2c3ccccc3CCc3ccccc32)O1 ZINC000071769413 571166294 /nfs/dbraw/zinc/16/62/94/571166294.db2.gz SBYGZTOCAMEYRE-PZJWPPBQSA-N 0 0 364.397 3.550 50 30 FHEARN Cc1sc(C2=C(N)N(C3CCCCC3)CC2=O)nc1-c1ccccc1 ZINC000034770113 571166865 /nfs/dbraw/zinc/16/68/65/571166865.db2.gz IYJIOFBQPALLMW-UHFFFAOYSA-N 0 0 353.491 3.963 50 30 FHEARN C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2C1=O ZINC000006215201 571166987 /nfs/dbraw/zinc/16/69/87/571166987.db2.gz WPWRAAGHMKXNOJ-UHFFFAOYSA-N 0 0 354.793 3.683 50 30 FHEARN CCCn1c2cc(C(F)(F)F)ccc2nc1SCC(=O)NCCC#N ZINC000012520236 571173850 /nfs/dbraw/zinc/17/38/50/571173850.db2.gz HNPNYORNJOKQIC-UHFFFAOYSA-N 0 0 370.400 3.587 50 30 FHEARN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CCCC[C@H]2C)c1C#N ZINC000012527948 571174572 /nfs/dbraw/zinc/17/45/72/571174572.db2.gz OPUSPRVAFINKQH-CQSZACIVSA-N 0 0 368.456 3.918 50 30 FHEARN COc1ccc(CNc2nnc(Sc3ncccc3C#N)s2)cc1 ZINC000012548859 571178950 /nfs/dbraw/zinc/17/89/50/571178950.db2.gz HXJVXZGBSXSSAS-UHFFFAOYSA-N 0 0 355.448 3.577 50 30 FHEARN C[C@H]1CCc2c(C#N)c(NC(=O)Cn3cnc4ccccc43)sc2C1 ZINC000012551448 571179670 /nfs/dbraw/zinc/17/96/70/571179670.db2.gz QDKIKOKDUMSHIZ-LBPRGKRZSA-N 0 0 350.447 3.733 50 30 FHEARN C=CCn1c(C)nnc1SCC(=O)NC1CCC(C(C)(C)CC)CC1 ZINC000013001169 571188046 /nfs/dbraw/zinc/18/80/46/571188046.db2.gz HESRETVPKBXASB-UHFFFAOYSA-N 0 0 364.559 3.976 50 30 FHEARN Cc1cc(NC(=O)N2CCC[C@@H](C#N)C2)n(Cc2cccc(Cl)c2)n1 ZINC000299772121 571195969 /nfs/dbraw/zinc/19/59/69/571195969.db2.gz ZNIMFDORCGWVMI-HNNXBMFYSA-N 0 0 357.845 3.661 50 30 FHEARN O=C1N/C(=N/C2CCCC2)S/C1=C\c1ccc(O)c(Br)c1 ZINC000022346469 571201809 /nfs/dbraw/zinc/20/18/09/571201809.db2.gz MDMBHRSXXGPXID-JYRVWZFOSA-N 0 0 367.268 3.657 50 30 FHEARN Cc1nc([C@H](C)N(C)C(=O)c2ccc(C#CC(C)(C)O)cc2)c(C)s1 ZINC000215001310 571204324 /nfs/dbraw/zinc/20/43/24/571204324.db2.gz OYBJJCQEIAAAOO-ZDUSSCGKSA-N 0 0 356.491 3.716 50 30 FHEARN Cc1ccccc1C[C@@H]1SC(NN=Cc2ccc(Cl)cc2)=NC1=O ZINC000006504711 571205873 /nfs/dbraw/zinc/20/58/73/571205873.db2.gz STHIIXWUORFXAC-YODDIOPGSA-N 0 0 357.866 3.813 50 30 FHEARN COc1ccccc1/C=C1\Oc2c(cc3c(c2C)OCN(C2CC2)C3)C1=O ZINC000054333096 571213866 /nfs/dbraw/zinc/21/38/66/571213866.db2.gz YHKUWIZGZPXLDL-GRSHGNNSSA-N 0 0 363.413 3.934 50 30 FHEARN CCCCCCCCCCS(=O)(=O)N/N=C/c1ccccc1[N+](=O)[O-] ZINC000098002605 571217646 /nfs/dbraw/zinc/21/76/46/571217646.db2.gz VLFQRXYMQMOGLA-OBGWFSINSA-N 0 0 369.487 3.989 50 30 FHEARN C=CCOc1ccc(COc2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000004772568 571234125 /nfs/dbraw/zinc/23/41/25/571234125.db2.gz SCYTUGCRHJHRRU-UHFFFAOYSA-N 0 0 360.406 3.865 50 30 FHEARN C=CCc1cc(OCC)ccc1OCC(=O)NCc1ccc(OC)cc1 ZINC000006638676 571238017 /nfs/dbraw/zinc/23/80/17/571238017.db2.gz IZNAETZVHXJJEH-UHFFFAOYSA-N 0 0 355.434 3.518 50 30 FHEARN C[C@@H]1CCc2sc(N3C(=O)[C@@H]4CC(Cl)=CC[C@@H]4C3=O)c(C#N)c2C1 ZINC000239425671 571264357 /nfs/dbraw/zinc/26/43/57/571264357.db2.gz UZFRZCVRHABEJM-SUZMYJTESA-N 0 0 360.866 3.767 50 30 FHEARN Cc1c(N=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000252426689 571278612 /nfs/dbraw/zinc/27/86/12/571278612.db2.gz KQKIASXYHXCNJG-UHFFFAOYSA-N 0 0 370.796 3.797 50 30 FHEARN CSC1=NC(=Nc2c(C)cccc2C)C2(CCCCC2)N1CC(N)=O ZINC000252588817 571283763 /nfs/dbraw/zinc/28/37/63/571283763.db2.gz AEDXMTMEOGJRBH-UHFFFAOYSA-N 0 0 358.511 3.556 50 30 FHEARN CCN1C(=O)C[C@H](C(=O)Nc2ccccc2)SC1=Nc1cccc(F)c1 ZINC000252602765 571284637 /nfs/dbraw/zinc/28/46/37/571284637.db2.gz FLAGIZNIHPOYMH-MRXNPFEDSA-N 0 0 371.437 3.806 50 30 FHEARN Oc1ccc(I)cc1C=Nc1ccc2n[nH]cc2c1 ZINC000252622084 571288259 /nfs/dbraw/zinc/28/82/59/571288259.db2.gz NOEQHYLMXLMTOZ-UHFFFAOYSA-N 0 0 363.158 3.624 50 30 FHEARN COC(=O)c1c(C)[nH]c(C2=NN/C(=N\C3CCCCC3)S[C@@H]2C)c1C ZINC000007779481 571288625 /nfs/dbraw/zinc/28/86/25/571288625.db2.gz MKXDOXBFSVMKLQ-GFCCVEGCSA-N 0 0 362.499 3.536 50 30 FHEARN Cc1cc2c(cc1/C=C1/SC(=Nc3ccccc3)N(C)C1=O)OCO2 ZINC000252632209 571290087 /nfs/dbraw/zinc/29/00/87/571290087.db2.gz VQOOLBOIAVIGLV-OVZIBMEBSA-N 0 0 352.415 3.958 50 30 FHEARN Cc1n[nH]c(C)c1N=C1S/C(=C2/Sc3ccccc3N2C)C(=O)N1C ZINC000252636964 571291473 /nfs/dbraw/zinc/29/14/73/571291473.db2.gz XOLFTMDZWCFVBT-AJJGDCHHSA-N 0 0 371.491 3.630 50 30 FHEARN CCC(=O)N1CCC(=NN=C(C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000252680236 571292568 /nfs/dbraw/zinc/29/25/68/571292568.db2.gz XVBHWJDXQITZSL-UHFFFAOYSA-N 0 0 361.445 3.747 50 30 FHEARN Brc1cccc(C=NN2CCN(Cc3ccccc3)CC2)c1 ZINC000001739382 571307824 /nfs/dbraw/zinc/30/78/24/571307824.db2.gz RMVJSHOIENRKIK-UHFFFAOYSA-N 0 0 358.283 3.601 50 30 FHEARN C/C(=N/N1CCN(Cc2ccc(C)cc2C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000027527940 571311594 /nfs/dbraw/zinc/31/15/94/571311594.db2.gz XDVMVYKBMKKFQU-PYCFMQQDSA-N 0 0 366.465 3.753 50 30 FHEARN COCCN(C(=O)c1cc(-c2ccc(C)cc2)no1)c1ccc(C#N)cc1 ZINC000154433749 571318916 /nfs/dbraw/zinc/31/89/16/571318916.db2.gz VDEKTRPJDRQIFN-UHFFFAOYSA-N 0 0 361.401 3.815 50 30 FHEARN N#Cc1ccccc1NC(=S)NC(=O)COc1ccc2ccccc2c1 ZINC000000675698 571319096 /nfs/dbraw/zinc/31/90/96/571319096.db2.gz DFRIAJVQCLUPJC-UHFFFAOYSA-N 0 0 361.426 3.603 50 30 FHEARN COCc1cc(C)nc(SCC(=O)Nc2ccc(C)c(C)c2)c1C#N ZINC000000693654 571319168 /nfs/dbraw/zinc/31/91/68/571319168.db2.gz IIZLYBUMWXGQEG-UHFFFAOYSA-N 0 0 355.463 3.756 50 30 FHEARN COc1cccc(/C=C2\Oc3cc(OCC(=O)OC(C)C)ccc3C2=O)c1 ZINC000012662554 571322603 /nfs/dbraw/zinc/32/26/03/571322603.db2.gz WWKIADBLLFSEBG-GRSHGNNSSA-N 0 0 368.385 3.642 50 30 FHEARN CCOc1cc2c(cc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000012994023 571322896 /nfs/dbraw/zinc/32/28/96/571322896.db2.gz VNIQQDNXWWXDLD-KBPBESRZSA-N 0 0 366.417 3.686 50 30 FHEARN COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000012976608 571322944 /nfs/dbraw/zinc/32/29/44/571322944.db2.gz LNAQTLDBZZJBTB-QRWLVFNGSA-N 0 0 350.418 3.698 50 30 FHEARN CSc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)OCCN3C)c1 ZINC000328589986 571323491 /nfs/dbraw/zinc/32/34/91/571323491.db2.gz SBUOPXQMDVGSLI-UHFFFAOYSA-N 0 0 359.407 3.782 50 30 FHEARN CN(C)c1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1Br ZINC000020215754 571328572 /nfs/dbraw/zinc/32/85/72/571328572.db2.gz VOGFUODWZJLLCO-UVTDQMKNSA-N 0 0 371.234 3.860 50 30 FHEARN C[C@@H]1CCC[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cccnc2)O3)C1 ZINC000020517932 571330461 /nfs/dbraw/zinc/33/04/61/571330461.db2.gz SXNUIQMUHDXGEA-SAGYFLTASA-N 0 0 350.418 3.635 50 30 FHEARN CC1(C)Cc2c(C#N)c(NCc3ccco3)nc(N3CCCC3)c2CO1 ZINC000095479072 571330971 /nfs/dbraw/zinc/33/09/71/571330971.db2.gz TXVZRUBTOQNEEL-UHFFFAOYSA-N 0 0 352.438 3.610 50 30 FHEARN O=C1N/C(=N/C2CCCC2)S/C1=C\c1cccc(Br)c1 ZINC000020987337 571332061 /nfs/dbraw/zinc/33/20/61/571332061.db2.gz LYCZHRJWXUDQKH-LCYFTJDESA-N 0 0 351.269 3.952 50 30 FHEARN CN(C)c1cc(C(=O)OC[C@H](C#N)Cc2cccs2)c2ccccc2n1 ZINC000095942900 571332417 /nfs/dbraw/zinc/33/24/17/571332417.db2.gz MMPLEDQIJMLBDW-AWEZNQCLSA-N 0 0 365.458 3.902 50 30 FHEARN C=C(C)COc1cc(CNc2ccc(-n3cccn3)nc2)ccc1OC ZINC000095943680 571332473 /nfs/dbraw/zinc/33/24/73/571332473.db2.gz OULWJKNXPRMRBO-UHFFFAOYSA-N 0 0 350.422 3.843 50 30 FHEARN COc1cccc(-c2ccnc(OC)c2C#N)c1C(=O)N(C(C)C)C(C)C ZINC000096141888 571334771 /nfs/dbraw/zinc/33/47/71/571334771.db2.gz IYIPSRZWWUOWPS-UHFFFAOYSA-N 0 0 367.449 3.896 50 30 FHEARN C[C@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000029756874 571342891 /nfs/dbraw/zinc/34/28/91/571342891.db2.gz AGJABFTWBOEBME-VIFPVBQESA-N 0 0 350.205 3.853 50 30 FHEARN C=CCn1c2sc(C)c(CC)c2c2nc(-c3ccccc3)nn2c1=O ZINC000032094872 571355691 /nfs/dbraw/zinc/35/56/91/571355691.db2.gz IIZDJTAGSUEOCR-UHFFFAOYSA-N 0 0 350.447 3.830 50 30 FHEARN C=CCN1c2ccc(C)cc2[C@]2(CC(=O)Nc3c2cnn3C(C)(C)C)C1=O ZINC000032096571 571355709 /nfs/dbraw/zinc/35/57/09/571355709.db2.gz LKQKWKHSYDHIBT-NRFANRHFSA-N 0 0 364.449 3.757 50 30 FHEARN C=CCN(CC=C)C(=O)Cn1c2ccccc2nc1NCc1ccccc1 ZINC000007985742 571358130 /nfs/dbraw/zinc/35/81/30/571358130.db2.gz HKZKKKSVVKHFDP-UHFFFAOYSA-N 0 0 360.461 3.849 50 30 FHEARN N#Cc1cccnc1NC1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000066387522 571358523 /nfs/dbraw/zinc/35/85/23/571358523.db2.gz KPMRHGIWMOCYPX-UHFFFAOYSA-N 0 0 362.355 3.933 50 30 FHEARN N#Cc1ccc(/C=C/C(=O)N2CCN(Cc3ccc(Cl)s3)CC2)cc1 ZINC000023718617 930110181 /nfs/dbraw/zinc/11/01/81/930110181.db2.gz CAGZLKOCKYAFSO-VMPITWQZSA-N 0 0 371.893 3.631 50 30 FHEARN NC(=NOCC(=O)Nc1ccc(-c2ccccc2)cc1)c1cccs1 ZINC000050513014 931173719 /nfs/dbraw/zinc/17/37/19/931173719.db2.gz JBEZFKONXZPAJS-UHFFFAOYSA-N 0 0 351.431 3.691 50 30 FHEARN O=C(Nc1ccnc(OCc2ccccc2)c1)N1CCOC2(CCCC2)C1 ZINC000328648892 941945062 /nfs/dbraw/zinc/94/50/62/941945062.db2.gz IISSZXKUGBCJTH-UHFFFAOYSA-N 0 0 367.449 3.851 50 30 FHEARN C[C@H]1CN(Cc2ccc(C(=O)Nc3cc(C4CC4)[nH]n3)cc2)C[C@H](C)O1 ZINC000328930906 942226313 /nfs/dbraw/zinc/22/63/13/942226313.db2.gz HQPAOENSHJDXNX-KBPBESRZSA-N 0 0 354.454 3.533 50 30 FHEARN C[C@H]1COc2ccccc2CN1C(=O)NCCc1nc2c(s1)CCCC2 ZINC000329299524 942759988 /nfs/dbraw/zinc/75/99/88/942759988.db2.gz LZWJMRPTKANACL-AWEZNQCLSA-N 0 0 371.506 3.762 50 30 FHEARN N#C[C@@H]1CCC[C@H]1NC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000329795537 944278745 /nfs/dbraw/zinc/27/87/45/944278745.db2.gz GOKFEBJNTWBEFH-DARAHFNDSA-N 0 0 362.271 3.891 50 30 FHEARN N#C[C@H]1N(C(=O)c2[nH]c3ccccc3c2Cl)CCC[C@]12CCCCO2 ZINC000329845776 944308093 /nfs/dbraw/zinc/30/80/93/944308093.db2.gz LYTZUDPTBCTCSY-DNVCBOLYSA-N 0 0 357.841 3.889 50 30 FHEARN C[C@@H](NC(=O)N1CCN(c2cccc3[nH]ccc32)CC1)c1cccc(C#N)c1 ZINC000598998920 946576147 /nfs/dbraw/zinc/57/61/47/946576147.db2.gz MHHIZSOSYLWPQU-MRXNPFEDSA-N 0 0 373.460 3.632 50 30 FHEARN COCc1ccc(NC(=O)N2C[C@H](C)OC3(CCCCC3)C2)cc1C#N ZINC000888100407 948439703 /nfs/dbraw/zinc/43/97/03/948439703.db2.gz JTUVNDDEGDMRKP-HNNXBMFYSA-N 0 0 357.454 3.660 50 30 FHEARN CCOc1cc(/C=N/n2cnnc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000001184999 219386538 /nfs/dbraw/zinc/38/65/38/219386538.db2.gz HIOFJFCKMZLQLI-NUGSKGIGSA-N 0 0 374.803 3.931 50 30 FHEARN C=C(Br)CNC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000049297770 203795157 /nfs/dbraw/zinc/79/51/57/203795157.db2.gz OVGDYUGNTBNZJS-UHFFFAOYSA-N 0 0 359.061 3.506 50 30 FHEARN C[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c2cc(Br)ccc21 ZINC000006369602 203815205 /nfs/dbraw/zinc/81/52/05/203815205.db2.gz HYXBTLODXBKJPM-GFCCVEGCSA-N 0 0 360.255 3.676 50 30 FHEARN C#CCSc1nnc(-c2ccc(C(F)(F)F)cc2)n1CCCOC ZINC000002150494 203861120 /nfs/dbraw/zinc/86/11/20/203861120.db2.gz HKLGWIKDNOHJMV-UHFFFAOYSA-N 0 0 355.385 3.726 50 30 FHEARN Cc1cc(C)c(C#N)c(SCc2cc(=O)oc3cc(C)c(O)cc23)n1 ZINC000011865326 203922338 /nfs/dbraw/zinc/92/23/38/203922338.db2.gz SKYWKTSOZMOFQP-UHFFFAOYSA-N 0 0 352.415 3.983 50 30 FHEARN COc1cc(/C=C2/S/C(=N/c3cccc(C)c3C)NC2=O)ccc1O ZINC000009494675 203959790 /nfs/dbraw/zinc/95/97/90/203959790.db2.gz FCGRCVJLSPMNNM-LICLKQGHSA-N 0 0 354.431 3.909 50 30 FHEARN CC(=O)NC(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F ZINC000002404023 204037164 /nfs/dbraw/zinc/03/71/64/204037164.db2.gz IAWYJEAIMIZEHT-UHFFFAOYSA-N 0 0 352.637 3.848 50 30 FHEARN COCCCNc1oc(COc2ccc(Cl)cc2Cl)nc1C#N ZINC000002393311 204037781 /nfs/dbraw/zinc/03/77/81/204037781.db2.gz PUDKSUOPPOPELX-UHFFFAOYSA-N 0 0 356.209 3.880 50 30 FHEARN Cc1[nH]nc2c1[C@@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2 ZINC000001386335 204003430 /nfs/dbraw/zinc/00/34/30/204003430.db2.gz BEOOLTINJRWUPV-QGZVFWFLSA-N 0 0 351.406 3.647 50 30 FHEARN COC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2ccc(C)o2)C1=O ZINC000001405413 204004045 /nfs/dbraw/zinc/00/40/45/204004045.db2.gz XWDZYKKARNYPGC-NTEUORMPSA-N 0 0 359.378 3.881 50 30 FHEARN COCc1cc(C)nc(SCC(=O)Oc2ccc(Cl)cc2)c1C#N ZINC000001427967 204007194 /nfs/dbraw/zinc/00/71/94/204007194.db2.gz SLCVJLPHILJWLG-UHFFFAOYSA-N 0 0 362.838 3.759 50 30 FHEARN CSc1nnc(N2C(=O)C[C@H](c3ccccc3)C3=C2CCCC3=O)s1 ZINC000001445948 204008428 /nfs/dbraw/zinc/00/84/28/204008428.db2.gz NFDIIATWEIQAQO-GFCCVEGCSA-N 0 0 371.487 3.788 50 30 FHEARN O=C1N/C(=N\c2ccccn2)S[C@H]1Cc1cc(Cl)ccc1Cl ZINC000001453117 204008575 /nfs/dbraw/zinc/00/85/75/204008575.db2.gz LJBNPTDSLKODJY-LBPRGKRZSA-N 0 0 352.246 3.850 50 30 FHEARN N#Cc1c(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000001932422 204022625 /nfs/dbraw/zinc/02/26/25/204022625.db2.gz UNBXCLJYXITCQH-UHFFFAOYSA-N 0 0 372.362 3.567 50 30 FHEARN CCN(CC)c1ccc2cc(C(=O)Nc3ccc(C#N)cc3)c(=O)oc2c1 ZINC000002951554 204070200 /nfs/dbraw/zinc/07/02/00/204070200.db2.gz ZMSKAEWWTUBTSH-UHFFFAOYSA-N 0 0 361.401 3.763 50 30 biogenic FHEARN O=C1c2ccccc2C(=O)C1(C(c1ccccc1)c1ccccc1)[N+](=O)[O-] ZINC000002963860 204071087 /nfs/dbraw/zinc/07/10/87/204071087.db2.gz ZCXISFVVBPJGCV-UHFFFAOYSA-N 0 0 357.365 3.913 50 30 FHEARN C=CCN1c2ccccc2/C(=N/NC(=S)Nc2cc(C)cc(C)c2)C1=O ZINC000003041475 204075720 /nfs/dbraw/zinc/07/57/20/204075720.db2.gz GIOGRRZPYDZHJU-PYCFMQQDSA-N 0 0 364.474 3.527 50 30 FHEARN COc1cc(C(=O)Nc2ccccc2SCCC#N)cc(OC)c1OC ZINC000003185813 204080925 /nfs/dbraw/zinc/08/09/25/204080925.db2.gz JFKFIRWJCJAWSO-UHFFFAOYSA-N 0 0 372.446 3.970 50 30 FHEARN Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2Cl)cc1C ZINC000003298656 204088044 /nfs/dbraw/zinc/08/80/44/204088044.db2.gz GEOVLRSLMHSWTF-MRXNPFEDSA-N 0 0 371.849 3.939 50 30 FHEARN O=C(C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1 ZINC000002566613 204044764 /nfs/dbraw/zinc/04/47/64/204044764.db2.gz YCAHTGLVMDENOA-SECBINFHSA-N 0 0 350.205 3.791 50 30 FHEARN Cc1c(C#N)c(NC(=O)c2ccc(Cl)s2)sc1C(=O)N(C)C ZINC000002768166 204056121 /nfs/dbraw/zinc/05/61/21/204056121.db2.gz ZSQBYLYOJGYVTH-UHFFFAOYSA-N 0 0 353.856 3.597 50 30 FHEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C)cc1 ZINC000002801328 204059706 /nfs/dbraw/zinc/05/97/06/204059706.db2.gz WTCNAYPUXMJTKU-FQEVSTJZSA-N 0 0 369.461 3.543 50 30 FHEARN COC(=O)c1ccc2nc(/N=C/c3ccc(OC)cc3OC)sc2c1 ZINC000002843335 204062592 /nfs/dbraw/zinc/06/25/92/204062592.db2.gz RCQLFECDDKUXKP-VXLYETTFSA-N 0 0 356.403 3.851 50 30 FHEARN COC(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000003893149 204112980 /nfs/dbraw/zinc/11/29/80/204112980.db2.gz PCPVGDPAWCUUNJ-UHFFFAOYSA-N 0 0 354.431 3.928 50 30 FHEARN O=c1c(/C=N/NC(=S)NC2CCCCC2)coc2ccc(Cl)cc12 ZINC000004229884 204128171 /nfs/dbraw/zinc/12/81/71/204128171.db2.gz RNJPSNHMXWMCDA-DJKKODMXSA-N 0 0 363.870 3.577 50 30 FHEARN C[C@@H]1CCc2sc(N3C(=O)[C@@H]4CC=C(Cl)C[C@@H]4C3=O)c(C#N)c2C1 ZINC000004009377 204117796 /nfs/dbraw/zinc/11/77/96/204117796.db2.gz UZFRZCVRHABEJM-XWIASGKRSA-N 0 0 360.866 3.767 50 30 FHEARN CO/N=C(/CS(=O)(=O)Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004060203 204119195 /nfs/dbraw/zinc/11/91/95/204119195.db2.gz HHJAVFYQAYCZHV-MNDPQUGUSA-N 0 0 372.273 3.959 50 30 FHEARN CO/N=C(/CCS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000004084648 204121311 /nfs/dbraw/zinc/12/13/11/204121311.db2.gz POQDZVWJMUEGOA-ZPHPHTNESA-N 0 0 351.855 3.863 50 30 FHEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(C)o1 ZINC000004186994 204125545 /nfs/dbraw/zinc/12/55/45/204125545.db2.gz PWJCHSLZWDNADW-XTDINYQCSA-N 0 0 366.417 3.819 50 30 FHEARN CCOc1ccccc1-n1c(S[C@H](C)C#N)nnc1-c1cccnc1 ZINC000003346808 204094277 /nfs/dbraw/zinc/09/42/77/204094277.db2.gz MVPIJJCNDTVGMP-CYBMUJFWSA-N 0 0 351.435 3.732 50 30 FHEARN O=C(C1=C2c3ccccc3CC3(CCCC3)N2C(=O)C1=O)c1ccccc1 ZINC000004594569 204149805 /nfs/dbraw/zinc/14/98/05/204149805.db2.gz GDISBFMOMIYVEL-UHFFFAOYSA-N 0 0 357.409 3.561 50 30 FHEARN COC(=O)/C=C1/S/C(=N\c2ccc(F)cc2)N(c2ccc(F)cc2)C1=O ZINC000004682459 204154414 /nfs/dbraw/zinc/15/44/14/204154414.db2.gz XKFTWNNKGVYMHA-XYGVBGMQSA-N 0 0 374.368 3.789 50 30 FHEARN COc1cc([C@@H](CC(=O)c2ccccc2)C(C#N)C#N)cc(OC)c1OC ZINC000004702722 204156450 /nfs/dbraw/zinc/15/64/50/204156450.db2.gz QRJJIWXGOHYPMA-QGZVFWFLSA-N 0 0 364.401 3.732 50 30 FHEARN C=CCOc1ccc([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1 ZINC000004751356 204162187 /nfs/dbraw/zinc/16/21/87/204162187.db2.gz LPHPEIFPJKJRKM-QGZVFWFLSA-N 0 0 360.365 3.615 50 30 FHEARN COC(=O)C([C@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000004839299 204168150 /nfs/dbraw/zinc/16/81/50/204168150.db2.gz NXFNMFQEHPUXLW-DLBZAZTESA-N 0 0 358.781 3.772 50 30 FHEARN CC/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000004499011 204142368 /nfs/dbraw/zinc/14/23/68/204142368.db2.gz KVNFJJAEIWGXIY-BMRADRMJSA-N 0 0 367.268 3.542 50 30 FHEARN CS(=O)(=O)c1ccccc1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000004517749 204143040 /nfs/dbraw/zinc/14/30/40/204143040.db2.gz HZDNOFXWLIJFRU-UHFFFAOYSA-N 0 0 374.487 3.544 50 30 FHEARN CCOc1ccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C#N)cc1 ZINC000004554539 204147224 /nfs/dbraw/zinc/14/72/24/204147224.db2.gz NHTOXNGWYPDLFS-UHFFFAOYSA-N 0 0 359.476 3.762 50 30 FHEARN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000005409286 204207359 /nfs/dbraw/zinc/20/73/59/204207359.db2.gz DIKVMMZJRFFMIW-LJQANCHMSA-N 0 0 356.381 3.865 50 30 FHEARN Fc1ccccc1C=NN1C(=S)N=NC1c1cc(-c2ccccc2)n[nH]1 ZINC000005626432 204218757 /nfs/dbraw/zinc/21/87/57/204218757.db2.gz CMSGOLJYRCSSDS-RGVLZGJSSA-N 0 0 364.409 3.645 50 30 FHEARN COc1ccc(CN2C(=O)[C@H](C)S/C2=N\N=C\c2ccccc2)cc1 ZINC000005071585 204189976 /nfs/dbraw/zinc/18/99/76/204189976.db2.gz ITWBCSZDEZGLAG-KFNXNMOMSA-N 0 0 353.447 3.549 50 30 FHEARN N=C(NOC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000005090925 204191280 /nfs/dbraw/zinc/19/12/80/204191280.db2.gz NCQHZQANYWIBKA-UHFFFAOYSA-N 0 0 353.603 3.580 50 30 FHEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000005787739 204224023 /nfs/dbraw/zinc/22/40/23/204224023.db2.gz UFXGNGNGUXJBPY-INIZCTEOSA-N 0 0 371.780 3.759 50 30 FHEARN CC(=O)Nc1c(C#N)c(-c2ccc([N+](=O)[O-])cc2)cc2nc3ccccc3n21 ZINC000005827081 204226939 /nfs/dbraw/zinc/22/69/39/204226939.db2.gz MNBHFKVCOPFXGY-UHFFFAOYSA-N 0 0 371.356 3.893 50 30 FHEARN COc1cc(/C=C\C(=O)Nc2sccc2C#N)ccc1OC(F)F ZINC000006008526 204233621 /nfs/dbraw/zinc/23/36/21/204233621.db2.gz SVIZHLYQOXZOFD-HYXAFXHYSA-N 0 0 350.346 3.882 50 30 FHEARN Cc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1I ZINC000006278496 204243574 /nfs/dbraw/zinc/24/35/74/204243574.db2.gz ZDGZLOTZXPXFQZ-UHFFFAOYSA-N 0 0 362.170 3.724 50 30 FHEARN Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccccc2)c1 ZINC000006420919 204248238 /nfs/dbraw/zinc/24/82/38/204248238.db2.gz CJTSOEGNQYXLKQ-NRFANRHFSA-N 0 0 373.456 3.997 50 30 FHEARN N#Cc1ccc(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000006461142 204249801 /nfs/dbraw/zinc/24/98/01/204249801.db2.gz AKIQFGPJGYAQAU-UHFFFAOYSA-N 0 0 371.396 3.828 50 30 FHEARN O=C1N/C(=N/c2ccccn2)S[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000006475622 204250172 /nfs/dbraw/zinc/25/01/72/204250172.db2.gz CMWNAQQAYNOKHR-LBPRGKRZSA-N 0 0 352.246 3.850 50 30 FHEARN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc2c(s1)CCC2 ZINC000006932559 204282338 /nfs/dbraw/zinc/28/23/38/204282338.db2.gz XOCNTBCVULNOKT-UHFFFAOYSA-N 0 0 360.822 3.557 50 30 FHEARN C[C@@H](Sc1ncnc2sccc21)C(=O)N(C)C1(C#N)CCCCC1 ZINC000007363485 204295992 /nfs/dbraw/zinc/29/59/92/204295992.db2.gz DEYKOOOVYXIKBI-GFCCVEGCSA-N 0 0 360.508 3.857 50 30 FHEARN COc1cc(C#N)ccc1OCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000007836154 204309070 /nfs/dbraw/zinc/30/90/70/204309070.db2.gz YUIWOCAUQCTOBC-OAHLLOKOSA-N 0 0 364.445 3.702 50 30 FHEARN COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000008075881 204317546 /nfs/dbraw/zinc/31/75/46/204317546.db2.gz VPXYPLWYFUDEPP-HXUWFJFHSA-N 0 0 370.474 3.873 50 30 FHEARN N#CCC(=O)Nc1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 ZINC000008328896 204327691 /nfs/dbraw/zinc/32/76/91/204327691.db2.gz MGBJRWSNEJQZHC-INIZCTEOSA-N 0 0 351.431 3.506 50 30 FHEARN CC(O)=C1C(=O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1cccc(F)c1 ZINC000008564762 204334949 /nfs/dbraw/zinc/33/49/49/204334949.db2.gz AYWWAQZGYZKPDN-INIZCTEOSA-N 0 0 368.389 3.924 50 30 FHEARN COc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCCC4)o3)o2)cc1 ZINC000008844525 204345813 /nfs/dbraw/zinc/34/58/13/204345813.db2.gz CUDUHRDPMJYEKV-UHFFFAOYSA-N 0 0 365.389 3.994 50 30 FHEARN Cc1ccc2[nH]c(C3=C(N)N(c4cc(Cl)cc(Cl)c4)CC3=O)nc2c1 ZINC000008844104 204346361 /nfs/dbraw/zinc/34/63/61/204346361.db2.gz AUZNJKNEICPTMZ-UHFFFAOYSA-N 0 0 373.243 3.895 50 30 FHEARN O=C1c2ccccc2S(=O)(=O)C/C1=C\c1cccc(Br)c1 ZINC000008923387 204349034 /nfs/dbraw/zinc/34/90/34/204349034.db2.gz SHWFMZGGLDEGQT-XYOKQWHBSA-N 0 0 363.232 3.503 50 30 FHEARN NC(=O)[C@@]1(c2nc(-c3ccc(Cl)cc3)cs2)O[C@H]1c1ccccc1 ZINC000009420421 204366530 /nfs/dbraw/zinc/36/65/30/204366530.db2.gz JYEQAIQRXPWNRZ-YJBOKZPZSA-N 0 0 356.834 3.916 50 30 FHEARN COc1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1CC#N ZINC000009494341 204370897 /nfs/dbraw/zinc/37/08/97/204370897.db2.gz BVKYAHKPNXDYKD-UHFFFAOYSA-N 0 0 350.403 3.532 50 30 FHEARN COc1cccc([C@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2C#N)c1 ZINC000008748884 204344278 /nfs/dbraw/zinc/34/42/78/204344278.db2.gz UCPZNBWNOIJCEK-LJQANCHMSA-N 0 0 369.852 3.996 50 30 FHEARN Cc1cc(C)c(C#N)c(SCC(=O)N[C@@H]2CCCc3ccccc32)n1 ZINC000010266897 204392930 /nfs/dbraw/zinc/39/29/30/204392930.db2.gz ALLVDOFHVSVBAU-GOSISDBHSA-N 0 0 351.475 3.856 50 30 FHEARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc(C#N)cc1 ZINC000010510514 204397942 /nfs/dbraw/zinc/39/79/42/204397942.db2.gz OPHKZRKQJAPGSH-UHFFFAOYSA-N 0 0 369.428 3.942 50 30 FHEARN C/N=C1/S/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N1C ZINC000012362812 204456022 /nfs/dbraw/zinc/45/60/22/204456022.db2.gz DQAYUZQUMHXJHL-BBNBJWFKSA-N 0 0 356.422 3.937 50 30 FHEARN CC(=O)[C@H](C(=O)Nc1ccc(F)cc1)[C@H](c1ccc(F)cc1)C(C#N)C#N ZINC000012379254 204456538 /nfs/dbraw/zinc/45/65/38/204456538.db2.gz QMPVYGCTGXENIZ-RBUKOAKNSA-N 0 0 367.355 3.556 50 30 FHEARN N#Cc1ccc(S(=O)(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000012876464 204504696 /nfs/dbraw/zinc/50/46/96/204504696.db2.gz PXDCBVBYPZEBGN-GOSISDBHSA-N 0 0 372.446 3.827 50 30 FHEARN CCOc1ccc(/N=C2/c3ccccc3N(CN3CCCCC3)C2=O)cc1 ZINC000013511343 204533800 /nfs/dbraw/zinc/53/38/00/204533800.db2.gz PDFFMUWVLQHPCK-LNVKXUELSA-N 0 0 363.461 3.996 50 30 FHEARN O=C1N/C(=N/C2CCCCC2)S/C1=C\c1cc(F)cc2c1OCOC2 ZINC000014092871 204563845 /nfs/dbraw/zinc/56/38/45/204563845.db2.gz NFRGPZLTGBRSHI-NVNXTCNLSA-N 0 0 362.426 3.585 50 30 FHEARN N#Cc1ccc(Cn2cc(-c3cnn(Cc4ccc(C#N)cc4)c3)cn2)cc1 ZINC000016046630 204629615 /nfs/dbraw/zinc/62/96/15/204629615.db2.gz FLBSACCTFQNSBQ-UHFFFAOYSA-N 0 0 364.412 3.587 50 30 FHEARN COc1ccc(-n2c(Nc3ccc(C#N)cc3)c3[nH]cccc-3c2=O)cc1 ZINC000021106572 204745810 /nfs/dbraw/zinc/74/58/10/204745810.db2.gz SWQNPZCIWBCPBW-HXUWFJFHSA-N 0 0 356.385 3.733 50 30 FHEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(C)cc2O)C1=O ZINC000036257394 205008324 /nfs/dbraw/zinc/00/83/24/205008324.db2.gz QEHCPTREBNHEJP-LFIBNONCSA-N 0 0 367.426 3.854 50 30 FHEARN COC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2ccccc2O)C1=O ZINC000036257119 205009416 /nfs/dbraw/zinc/00/94/16/205009416.db2.gz MKABAMKEYLJGQA-XNTDXEJSSA-N 0 0 371.389 3.685 50 30 FHEARN C=CCn1cc(CN2CCc3nc[nH]c3[C@H]2c2ccc(Cl)s2)cn1 ZINC000067803909 205023809 /nfs/dbraw/zinc/02/38/09/205023809.db2.gz XDLVFKAWWZWADP-QGZVFWFLSA-N 0 0 359.886 3.655 50 30 FHEARN N#Cc1cnn2c1N=C1CCCC(=O)C1[C@@H]2c1ccc(Br)cc1 ZINC000040268047 205064762 /nfs/dbraw/zinc/06/47/62/205064762.db2.gz ZKXPEWFTDPFPPG-INIZCTEOSA-N 0 0 369.222 3.539 50 30 FHEARN N#C[C@H](C(=O)c1cc2c(c(Cl)c1)OCO2)c1ccc(C(F)(F)F)cn1 ZINC000041554736 205091482 /nfs/dbraw/zinc/09/14/82/205091482.db2.gz BHTBQOWANOPDMM-JTQLQIEISA-N 0 0 368.698 3.973 50 30 FHEARN CCOc1cc2c(cc1/C=C1\S/C(=N\C3CCCC3)NC1=O)O[C@H](C)C2 ZINC000043080441 205100998 /nfs/dbraw/zinc/10/09/98/205100998.db2.gz YKEKVGXSSQILMQ-OTWJJXBCSA-N 0 0 372.490 3.911 50 30 FHEARN COc1ccc(C)cc1[C@H](C(=O)[O-])[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC000055165914 205210284 /nfs/dbraw/zinc/21/02/84/205210284.db2.gz ZETWJVXDAABZCT-OAQYLSRUSA-N 0 0 364.445 3.881 50 30 FHEARN CCCCCCCCCCn1c(SCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000053292337 205191719 /nfs/dbraw/zinc/19/17/19/205191719.db2.gz WEUWPSLBXMXZPZ-UHFFFAOYSA-N 0 0 366.531 3.676 50 30 FHEARN CCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCC ZINC000053291891 205192704 /nfs/dbraw/zinc/19/27/04/205192704.db2.gz RGBYFKNDVCJZEW-UHFFFAOYSA-N 0 0 366.531 3.676 50 30 FHEARN N#Cc1cccnc1NCc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000057858139 205245230 /nfs/dbraw/zinc/24/52/30/205245230.db2.gz OVJOWYXSOZVFRG-UHFFFAOYSA-N 0 0 352.401 3.813 50 30 FHEARN CC[C@@H](C)[C@@H](C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000057304387 205236941 /nfs/dbraw/zinc/23/69/41/205236941.db2.gz IVYQHLLPLZTLRC-ZIAGYGMSSA-N 0 0 370.453 3.573 50 30 FHEARN Cc1nc(C)c(-c2nnc(SCCOc3ccccc3C#N)o2)s1 ZINC000058168802 205254360 /nfs/dbraw/zinc/25/43/60/205254360.db2.gz BOQZSXKBRBHFKD-UHFFFAOYSA-N 0 0 358.448 3.853 50 30 FHEARN Cn1c(Cc2cccs2)nnc1SCCOc1ccccc1C#N ZINC000058167591 205254767 /nfs/dbraw/zinc/25/47/67/205254767.db2.gz NUZWTLBRPWSFPB-UHFFFAOYSA-N 0 0 356.476 3.510 50 30 FHEARN CN(C(=O)Cn1c2ccccc2nc1SC(F)F)c1cccc(C#N)c1 ZINC000058024968 205247302 /nfs/dbraw/zinc/24/73/02/205247302.db2.gz ONJLFDQBLNTAIN-UHFFFAOYSA-N 0 0 372.400 3.886 50 30 FHEARN COc1ccc(NC(=O)[C@H](C#N)Cc2c[nH]c3cccc(Cl)c23)cn1 ZINC000061720508 205288223 /nfs/dbraw/zinc/28/82/23/205288223.db2.gz ZIJGLOWYWFJCDV-NSHDSACASA-N 0 0 354.797 3.546 50 30 FHEARN N#Cc1ccc(C(=O)NCc2nn(Cc3ccccc3)c3ccccc23)cc1 ZINC000065219949 205325419 /nfs/dbraw/zinc/32/54/19/205325419.db2.gz GQMNDINYRHRAIV-UHFFFAOYSA-N 0 0 366.424 3.886 50 30 FHEARN Cc1cc(-c2ccc(S(=O)(=O)Nc3ccc(C#N)cc3)c(C)c2)on1 ZINC000064979666 205312885 /nfs/dbraw/zinc/31/28/85/205312885.db2.gz VCXFSOLMNJYFON-UHFFFAOYSA-N 0 0 353.403 3.631 50 30 FHEARN N#Cc1cccc(NC(=O)c2cccn2Cc2noc(-c3ccccc3)n2)c1 ZINC000065137046 205319671 /nfs/dbraw/zinc/31/96/71/205319671.db2.gz SWSOCILKPLVERB-UHFFFAOYSA-N 0 0 369.384 3.710 50 30 FHEARN COC(=O)c1ccc(/C=C2\CCC/C(=C/c3ccc(C(=O)OC)o3)C2=O)o1 ZINC000065538139 205358272 /nfs/dbraw/zinc/35/82/72/205358272.db2.gz JYAYOMFSUSSGAP-PJABCKPXSA-N 0 0 370.357 3.666 50 30 FHEARN Cc1cccc(C)c1Oc1ncccc1CNC(=O)c1ccc(C#N)nc1 ZINC000067472837 205372839 /nfs/dbraw/zinc/37/28/39/205372839.db2.gz BLMUQMQBYSPMLF-UHFFFAOYSA-N 0 0 358.401 3.687 50 30 FHEARN Cc1ccc2cc(C3(O)CCN(C(=O)c4ccccc4C#N)CC3)ccc2n1 ZINC000067588093 205376471 /nfs/dbraw/zinc/37/64/71/205376471.db2.gz BIRQQURBHNYLOD-UHFFFAOYSA-N 0 0 371.440 3.539 50 30 FHEARN COc1nc2ccccc2cc1-c1cc(-c2ccccn2)nc(N)c1C#N ZINC000067642327 205378159 /nfs/dbraw/zinc/37/81/59/205378159.db2.gz FPVOTNPBMGEGCX-UHFFFAOYSA-N 0 0 353.385 3.821 50 30 FHEARN COc1cc(OC)c(-c2cc(-c3cccs3)nc(N)c2C#N)cc1OC ZINC000067677552 205381835 /nfs/dbraw/zinc/38/18/35/205381835.db2.gz CIZHDSHKRXREHD-UHFFFAOYSA-N 0 0 367.430 3.957 50 30 FHEARN COc1ccc(-c2cc(C3CCC3)nc(N)c2C#N)cc1Cn1cccn1 ZINC000067739747 205387732 /nfs/dbraw/zinc/38/77/32/205387732.db2.gz KAPVBJKEIFOAKY-UHFFFAOYSA-N 0 0 359.433 3.723 50 30 FHEARN COc1ccc2cc([C@H]3CN(C(=O)c4cccc(C#N)c4)CCO3)ccc2c1 ZINC000071764020 205444645 /nfs/dbraw/zinc/44/46/45/205444645.db2.gz YCDMJXVDHOQJQG-JOCHJYFZSA-N 0 0 372.424 3.934 50 30 FHEARN CC1(C)CC(=O)C2C(=Nc3nnnn3[C@@H]2c2ccc(Cl)cc2Cl)C1 ZINC000018196076 220227703 /nfs/dbraw/zinc/22/77/03/220227703.db2.gz JWKGTDXLANOKHN-CQSZACIVSA-N 0 0 364.236 3.638 50 30 FHEARN COc1cc2c(cc1OC)[C@@H](c1ccc(O)c(O)c1)C1=C(CCCC1=O)N2 ZINC000018197481 220227848 /nfs/dbraw/zinc/22/78/48/220227848.db2.gz YKNOUAWKOIEGGD-HXUWFJFHSA-N 0 0 367.401 3.680 50 30 FHEARN O=c1[nH][nH]c2c1[C@@H](c1cccc(Cl)c1Cl)C1=C(CCCC1=O)N2 ZINC000018195505 220228184 /nfs/dbraw/zinc/22/81/84/220228184.db2.gz WQLWGHOPFSZGJQ-NSHDSACASA-N 0 0 350.205 3.987 50 30 FHEARN CCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCC ZINC000096019729 205805070 /nfs/dbraw/zinc/80/50/70/205805070.db2.gz UWEJXZJGJWNHDD-UHFFFAOYSA-N 0 0 366.531 3.676 50 30 FHEARN CCCNc1nc(-c2cccc(Br)c2)c(C#N)c(N)c1C#N ZINC000096336601 205874650 /nfs/dbraw/zinc/87/46/50/205874650.db2.gz BNRMNIPSGNVMJU-UHFFFAOYSA-N 0 0 356.227 3.659 50 30 FHEARN C#CCO[S@@](=O)O[C@H]1CCCC[C@@H]1Oc1ccc(C(C)(C)C)cc1 ZINC000100095714 205937942 /nfs/dbraw/zinc/93/79/42/205937942.db2.gz ZYHMJXZULPZUED-XFAGBWLFSA-N 0 0 350.480 3.919 50 30 in-vitro FHEARN COC(=O)c1ccc(/N=C2/S/C(=C\c3ccc(F)cc3)C(=O)N2C)cc1 ZINC000100279656 205941709 /nfs/dbraw/zinc/94/17/09/205941709.db2.gz WMUXJAKNXKAQNZ-DDRRTAJHSA-N 0 0 370.405 3.846 50 30 FHEARN CC1=CC(=O)C(=C2C[C@H](c3ccc(O)cc3)Nc3ccccc3N2)C(=O)O1 ZINC000102443876 205974028 /nfs/dbraw/zinc/97/40/28/205974028.db2.gz NQSSHIXMXVWCBI-QTIQAUKSSA-N 0 0 362.385 3.645 50 30 FHEARN C=CCNC(=O)[C@H]1CC[C@H](c2ccc(F)cc2)N(C(=O)c2ccccc2)C1 ZINC000037546029 206039171 /nfs/dbraw/zinc/03/91/71/206039171.db2.gz UUNGAHRTTVETMC-AZUAARDMSA-N 0 0 366.436 3.721 50 30 FHEARN N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000048313960 206081350 /nfs/dbraw/zinc/08/13/50/206081350.db2.gz IGGAWUMMLISASC-SFHVURJKSA-N 0 0 373.378 3.728 50 30 FHEARN CCOC(=O)c1sc(NC(=O)COc2cc(C)ccc2C)c(C#N)c1C ZINC000000783741 206131831 /nfs/dbraw/zinc/13/18/31/206131831.db2.gz ZFISJKFTVANYAM-UHFFFAOYSA-N 0 0 372.446 3.739 50 30 FHEARN C=CCOc1ccc2c(C)c(C)c(=O)oc2c1I ZINC000002137171 206152618 /nfs/dbraw/zinc/15/26/18/206152618.db2.gz ORUOQPFIRCTKTB-UHFFFAOYSA-N 0 0 356.159 3.579 50 30 biogenic FHEARN CC(C)COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000004332774 206177152 /nfs/dbraw/zinc/17/71/52/206177152.db2.gz WHCOCQYMLVKUHT-OAHLLOKOSA-N 0 0 366.417 3.777 50 30 FHEARN COc1ccc2[nH]c3c(ncn(/N=C/[C@H]4[C@H](C)C=C(C)C[C@H]4C)c3=O)c2c1 ZINC000004028805 206164398 /nfs/dbraw/zinc/16/43/98/206164398.db2.gz QTBQTTBAAXXJAQ-PVDNUXFWSA-N 0 0 364.449 3.959 50 30 biogenic FHEARN Cc1c(Cl)cccc1NC(=O)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F ZINC000004119717 206168001 /nfs/dbraw/zinc/16/80/01/206168001.db2.gz PGJWZVCOJUZJGK-XOVSCCBYSA-N 0 0 360.763 3.696 50 30 FHEARN CCC[C@@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(OC)cc2)C1=O ZINC000005111649 206189206 /nfs/dbraw/zinc/18/92/06/206189206.db2.gz ZDKUQLRWZWWVFK-AVBHYHMMSA-N 0 0 371.462 3.922 50 30 FHEARN CC[C@@]1(C)Cc2c(sc3nc(NN=C(C)C)n(C)c(=O)c23)CS1 ZINC000005218560 206191035 /nfs/dbraw/zinc/19/10/35/206191035.db2.gz LXLXJTMICICJPS-INIZCTEOSA-N 0 0 350.513 3.761 50 30 FHEARN CC1(C)Cc2c(sc3[nH]c(NN=Cc4ccco4)nc(=O)c23)CS1 ZINC000005396582 206192770 /nfs/dbraw/zinc/19/27/70/206192770.db2.gz VIICLZYGMQJQBM-REZTVBANSA-N 0 0 360.464 3.592 50 30 FHEARN Cc1cccc([C@@H]2C3C(=O)C[C@H](c4ccccc4O)CC3=Nc3ncnn32)c1 ZINC000005270452 206193257 /nfs/dbraw/zinc/19/32/57/206193257.db2.gz OTDNNQDPFNZFTC-QVKFZJNVSA-N 0 0 372.428 3.708 50 30 FHEARN Oc1ccc(Br)cc1CN=Nc1nc2c(s1)CCCC2 ZINC000004749602 206181460 /nfs/dbraw/zinc/18/14/60/206181460.db2.gz MDKCYAYKFNZIRJ-PXNMLYILSA-N 0 0 352.257 3.936 50 30 FHEARN N#Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000006879582 206205835 /nfs/dbraw/zinc/20/58/35/206205835.db2.gz WIJJUUMISPBVST-MRXNPFEDSA-N 0 0 367.836 3.703 50 30 FHEARN N#Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000006879584 206206024 /nfs/dbraw/zinc/20/60/24/206206024.db2.gz WIJJUUMISPBVST-INIZCTEOSA-N 0 0 367.836 3.703 50 30 FHEARN CCOC(=O)c1cc(C#N)c(SCCOc2ccc(C)cc2)nc1C ZINC000007149361 206206844 /nfs/dbraw/zinc/20/68/44/206206844.db2.gz BKIINJBSOMREHB-UHFFFAOYSA-N 0 0 356.447 3.918 50 30 FHEARN N#Cc1ccccc1COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 ZINC000007006056 206207284 /nfs/dbraw/zinc/20/72/84/206207284.db2.gz CZNYOZGXJMKXJR-UHFFFAOYSA-N 0 0 369.376 3.981 50 30 FHEARN O=S(=O)(c1ccc(N=NC2CCCCCCC2)nc1)N1CCCCC1 ZINC000007780118 206209584 /nfs/dbraw/zinc/20/95/84/206209584.db2.gz DNEXCNMEHLBVKR-UHFFFAOYSA-N 0 0 364.515 3.768 50 30 FHEARN N#Cc1ccsc1NC(=O)COC(=O)C1(c2ccccc2F)CCCC1 ZINC000007562482 206210321 /nfs/dbraw/zinc/21/03/21/206210321.db2.gz PKAWVJVBEQYAFZ-UHFFFAOYSA-N 0 0 372.421 3.753 50 30 FHEARN C=CCNC(=S)N=NCc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000005461206 206195315 /nfs/dbraw/zinc/19/53/15/206195315.db2.gz JZFUGYYEGQWUMI-UUYOSTAYSA-N 0 0 373.453 3.809 50 30 FHEARN CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C=[NH+]C[C@@H]1CCCO1 ZINC000006550386 206202063 /nfs/dbraw/zinc/20/20/63/206202063.db2.gz FWINXTFNGZSBNB-DZUMZMOTSA-N 0 0 370.478 3.738 50 30 FHEARN COc1ccc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1Cl ZINC000007974731 206214031 /nfs/dbraw/zinc/21/40/31/206214031.db2.gz PSVASXRSOZZZIY-UHFFFAOYSA-N 0 0 350.205 3.924 50 30 FHEARN C=CCOc1ccccc1CN1c2c(cc(C)cc2C)[C@@H](NC(C)=O)C1=O ZINC000008047773 206214532 /nfs/dbraw/zinc/21/45/32/206214532.db2.gz NLJKJBBLSLDCBD-HXUWFJFHSA-N 0 0 364.445 3.592 50 30 FHEARN Cc1c(Nc2oc(-c3ccccc3)nc2C#N)c(=O)n(-c2ccccc2)n1C ZINC000008660987 206215574 /nfs/dbraw/zinc/21/55/74/206215574.db2.gz IJZTXSLJLBISAM-UHFFFAOYSA-N 0 0 371.400 3.755 50 30 FHEARN COc1ccc2[nH]c(S[C@H](C)C(=O)Nc3cccc(C#N)c3)nc2c1 ZINC000004252407 206235342 /nfs/dbraw/zinc/23/53/42/206235342.db2.gz AFQNSTQATXAFJY-LLVKDONJSA-N 0 0 352.419 3.562 50 30 FHEARN N#Cc1cccc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c1 ZINC000170622888 206276198 /nfs/dbraw/zinc/27/61/98/206276198.db2.gz RVQBSUCFLYAAOG-UHFFFAOYSA-N 0 0 358.279 3.879 50 30 FHEARN Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Cc3ccc(F)cc3)o2)cc1 ZINC000170623851 206277469 /nfs/dbraw/zinc/27/74/69/206277469.db2.gz SIQHTRXALKRBPV-UHFFFAOYSA-N 0 0 356.378 3.635 50 30 FHEARN CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)cc1 ZINC000013389604 206303101 /nfs/dbraw/zinc/30/31/01/206303101.db2.gz KADSIQVXWKKROW-YVLHZVERSA-N 0 0 352.415 3.869 50 30 FHEARN C=CCn1c(SCC(=O)C(C)(C)C)nc2sc3c(c2c1=O)CCC3 ZINC000003471054 206335135 /nfs/dbraw/zinc/33/51/35/206335135.db2.gz RRKKYTHOABGUAJ-UHFFFAOYSA-N 0 0 362.520 3.840 50 30 FHEARN N#CC1(NC(=O)CNc2cc(F)ccc2OCC(F)(F)F)CCCCC1 ZINC000022842428 206394241 /nfs/dbraw/zinc/39/42/41/206394241.db2.gz KELNJLBZLGIJFY-UHFFFAOYSA-N 0 0 373.350 3.521 50 30 FHEARN C=CCn1nc(C)c(CN2CCc3nc[nH]c3[C@H]2c2cccc(F)c2)c1C ZINC000067473382 221255499 /nfs/dbraw/zinc/25/54/99/221255499.db2.gz BNFPGPDZPTVHNL-OAQYLSRUSA-N 0 0 365.456 3.696 50 30 FHEARN C[C@@H]1CN(c2ccccc2C#N)C(=O)CN1Cc1ccc2ccccc2c1 ZINC000082167219 132197715 /nfs/dbraw/zinc/19/77/15/132197715.db2.gz DYBDMBWBENLYDP-QGZVFWFLSA-N 0 0 355.441 3.949 50 30 FHEARN C=CCc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)ccc1OC ZINC000014396572 132306672 /nfs/dbraw/zinc/30/66/72/132306672.db2.gz DWKXQWQNADBXMV-UHFFFAOYSA-N 0 0 354.425 3.525 50 30 FHEARN C=CCOc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000007495575 132371402 /nfs/dbraw/zinc/37/14/02/132371402.db2.gz ZEFFGBFOAPVTAB-UHFFFAOYSA-N 0 0 350.462 3.831 50 30 FHEARN C=CCN1c2cc(NC(=O)c3cccc(OCCC)c3)ccc2OCC1=O ZINC000032593386 132374388 /nfs/dbraw/zinc/37/43/88/132374388.db2.gz RXAFQGNHVWNUGK-UHFFFAOYSA-N 0 0 366.417 3.639 50 30 FHEARN COc1ccccc1N(CCC#N)C(=O)COc1ccc(F)cc1Cl ZINC000003348143 263329006 /nfs/dbraw/zinc/32/90/06/263329006.db2.gz LNBGQIPWLSGTDH-UHFFFAOYSA-N 0 0 362.788 3.813 50 30 FHEARN C=CCn1c(C)cc(C(=O)CSc2nncn2-c2ccccc2)c1C ZINC000003452698 263329498 /nfs/dbraw/zinc/32/94/98/263329498.db2.gz DPHIVZHBYRWTLT-UHFFFAOYSA-N 0 0 352.463 3.847 50 30 FHEARN CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000003535158 263329920 /nfs/dbraw/zinc/32/99/20/263329920.db2.gz OCNIHDCSCOSJSR-OAQYLSRUSA-N 0 0 366.417 3.690 50 30 FHEARN Cc1nc2n(n1)[C@H](c1ccc(C)cc1)C1C(=O)C[C@H](c3ccco3)CC1=N2 ZINC000004502368 263333745 /nfs/dbraw/zinc/33/37/45/263333745.db2.gz YHRMIFSXFOSEOD-FOIQADDNSA-N 0 0 360.417 3.904 50 30 FHEARN CCOc1ccc(OCc2ccc(/C=C/C(=O)c3cnn(C)c3)o2)cc1 ZINC000006554326 263346066 /nfs/dbraw/zinc/34/60/66/263346066.db2.gz MZJVJQPXANTEKT-ZHACJKMWSA-N 0 0 352.390 3.887 50 30 FHEARN CCC/C(=N/O)c1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000022130666 263384778 /nfs/dbraw/zinc/38/47/78/263384778.db2.gz IJWKJJRPTPLORE-JWGURIENSA-N 0 0 372.421 3.943 50 30 FHEARN CC(C)NC(=O)c1cc(NC(=O)N2CCC(C)(C#N)CC2)ccc1Cl ZINC000426422031 263586245 /nfs/dbraw/zinc/58/62/45/263586245.db2.gz SSOXFJUXCPQKBJ-UHFFFAOYSA-N 0 0 362.861 3.636 50 30 FHEARN CC(C)c1noc([C@H](C)NC(=O)c2ccc(-c3ccc(C#N)nc3)cc2)n1 ZINC000426490570 263604892 /nfs/dbraw/zinc/60/48/92/263604892.db2.gz LHOCYYDCAGZHJS-ZDUSSCGKSA-N 0 0 361.405 3.618 50 30 FHEARN Brc1ccccc1C=NN1CCN(Cc2ccccc2)CC1 ZINC000244659771 518224820 /nfs/dbraw/zinc/22/48/20/518224820.db2.gz HIKONUUVCMZDNT-UHFFFAOYSA-N 0 0 358.283 3.601 50 30 FHEARN C#CCOc1ccc(CCNC(=O)/C=C/c2cccc3cccnc23)cc1 ZINC000058023831 518324109 /nfs/dbraw/zinc/32/41/09/518324109.db2.gz ZUERKQOQWGXECO-JLHYYAGUSA-N 0 0 356.425 3.619 50 30 FHEARN CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1cc(-c2cccs2)on1 ZINC000014305470 518549804 /nfs/dbraw/zinc/54/98/04/518549804.db2.gz OKFHJUNVDGIAPS-PXNMLYILSA-N 0 0 362.476 3.935 50 30 FHEARN C=CCN(Cc1ccc(F)cc1)C(=O)[C@H]1COc2c(cccc2OC)C1 ZINC000055415003 518781659 /nfs/dbraw/zinc/78/16/59/518781659.db2.gz KSQFHMTWVKIVJA-QGZVFWFLSA-N 0 0 355.409 3.600 50 30 FHEARN C=CCN(Cc1cccc(OC)c1)C(=O)C[C@@H]1c2ccc(C)cc2NC1=O ZINC000055088865 518783550 /nfs/dbraw/zinc/78/35/50/518783550.db2.gz PGFWKOYLVBBGPR-LJQANCHMSA-N 0 0 364.445 3.644 50 30 FHEARN C=CCN(Cc1ccccc1Cl)C(=O)c1cccc(-n2cnnc2)c1 ZINC000055098866 518786223 /nfs/dbraw/zinc/78/62/23/518786223.db2.gz KLFPRIWCTWTMOQ-UHFFFAOYSA-N 0 0 352.825 3.749 50 30 FHEARN C=CCNc1nnc(SCCC(=O)Nc2ccc3c(c2)CCC3)s1 ZINC000032870964 518965749 /nfs/dbraw/zinc/96/57/49/518965749.db2.gz WZZMKBZWCUJJGP-UHFFFAOYSA-N 0 0 360.508 3.746 50 30 FHEARN C=CCOc1c(Cl)cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1OC ZINC000006274889 519006354 /nfs/dbraw/zinc/00/63/54/519006354.db2.gz MODVAHYVWAMINN-UHFFFAOYSA-N 0 0 359.813 3.695 50 30 FHEARN C=CCOc1ccc(C(=O)NCCCc2ccccc2O)cc1OCC ZINC000055100440 519026717 /nfs/dbraw/zinc/02/67/17/519026717.db2.gz FHTJXLZERMGVMP-UHFFFAOYSA-N 0 0 355.434 3.718 50 30 FHEARN C=CCOc1cccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)c1 ZINC000003999957 519051902 /nfs/dbraw/zinc/05/19/02/519051902.db2.gz UFANDRWZJOAHAT-OTOIZHKDSA-N 0 0 360.457 3.889 50 30 biogenic FHEARN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)NC1CCCCC1 ZINC000004503557 519191376 /nfs/dbraw/zinc/19/13/76/519191376.db2.gz IKVHPDGADGDORN-UHFFFAOYSA-N 0 0 370.522 3.596 50 30 FHEARN C=CCn1c(SCC(=O)N2CCCC2)nnc1-c1cc2ccccc2o1 ZINC000008881457 519201516 /nfs/dbraw/zinc/20/15/16/519201516.db2.gz DJDOZNKKYRJOTM-UHFFFAOYSA-N 0 0 368.462 3.592 50 30 FHEARN C=CCn1c(SCC(=O)N[C@@H](C)C(C)C)nnc1C1CCCCC1 ZINC000009456818 519208994 /nfs/dbraw/zinc/20/89/94/519208994.db2.gz GGEBLQMDOGHSKF-AWEZNQCLSA-N 0 0 350.532 3.765 50 30 FHEARN C=CCn1c(SCC(=O)N[C@H](C)C(C)C)nnc1C1CCCCC1 ZINC000009456815 519209592 /nfs/dbraw/zinc/20/95/92/519209592.db2.gz GGEBLQMDOGHSKF-CQSZACIVSA-N 0 0 350.532 3.765 50 30 FHEARN C=CCn1c(Sc2nc3cc(C)nn3c3ccccc32)nnc1C1CC1 ZINC000040071542 519259642 /nfs/dbraw/zinc/25/96/42/519259642.db2.gz GCVYXSAOTYKKOV-UHFFFAOYSA-N 0 0 362.462 3.997 50 30 FHEARN C=CCn1c2ccc(NC(=O)COc3cccc(C)c3C)cc2sc1=O ZINC000021354941 519262335 /nfs/dbraw/zinc/26/23/35/519262335.db2.gz ICJNNCRVORRYNK-UHFFFAOYSA-N 0 0 368.458 3.883 50 30 FHEARN C=CCn1c2ccccc2nc1SCC(=O)[C@H](C#N)c1nc(C)cs1 ZINC000006909036 519268322 /nfs/dbraw/zinc/26/83/22/519268322.db2.gz AJUAVJTVWIIQLG-ZDUSSCGKSA-N 0 0 368.487 3.956 50 30 FHEARN C=C[C@@H]1CCCCN1C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000225618756 519296269 /nfs/dbraw/zinc/29/62/69/519296269.db2.gz LJCMAJIUDLRKNO-MRXNPFEDSA-N 0 0 372.490 3.937 50 30 FHEARN CC(C)COC(=O)c1cc(-c2ccc(C=Nn3cnnc3)o2)ccc1Cl ZINC000252327535 519750915 /nfs/dbraw/zinc/75/09/15/519750915.db2.gz OVHPBLYWNQJIJB-UHFFFAOYSA-N 0 0 372.812 3.887 50 30 FHEARN CC(C)COc1nc2ccccc2nc1[C@H](C#N)C(=O)NCc1ccccc1 ZINC000005451930 519765942 /nfs/dbraw/zinc/76/59/42/519765942.db2.gz KIFIQDXJONLFAS-KRWDZBQOSA-N 0 0 374.444 3.588 50 30 FHEARN CC(C)c1n[nH]cc1C(=O)OCC(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000032922105 519830672 /nfs/dbraw/zinc/83/06/72/519830672.db2.gz NENSHCYIXOBTSW-VCHYOVAHSA-N 0 0 367.449 3.571 50 30 FHEARN CCCN1c2ccccc2[C@](O)(CC(=O)C=CC=Cc2ccccc2)C1=O ZINC000004554669 519865422 /nfs/dbraw/zinc/86/54/22/519865422.db2.gz KBDLEZYQTZFKRY-QEVSYEORSA-N 0 0 361.441 3.860 50 30 FHEARN CCCCCCCCCCCc1nccn1CCc1nc(N)nc(N)n1 ZINC000079409004 520018418 /nfs/dbraw/zinc/01/84/18/520018418.db2.gz QZDGTFKTHGKXEP-UHFFFAOYSA-N 0 0 359.522 3.549 50 30 FHEARN CCCCCCCCCS(=O)(=O)N/N=C/c1ccc(OC)c(OC)c1 ZINC000033354332 520030252 /nfs/dbraw/zinc/03/02/52/520030252.db2.gz FROAGPAQFSEPRD-XDJHFCHBSA-N 0 0 370.515 3.708 50 30 FHEARN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)Nc2ccccc2F)C1=O ZINC000097939413 520069715 /nfs/dbraw/zinc/06/97/15/520069715.db2.gz OGXXUPLEVMUQCB-SFHVURJKSA-N 0 0 364.421 3.533 50 30 FHEARN CCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCC1 ZINC000002395547 520096600 /nfs/dbraw/zinc/09/66/00/520096600.db2.gz OOVVWAAWJNIBMN-INIZCTEOSA-N 0 0 366.465 3.961 50 30 FHEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccc(O)c2)C1=O ZINC000004550946 520538391 /nfs/dbraw/zinc/53/83/91/520538391.db2.gz WJYXUWNZRNPVMG-VBKFSLOCSA-N 0 0 367.426 3.936 50 30 FHEARN CCOc1cc(/C=C\C(=O)c2ccc3c(c2)NC(=O)CO3)cc(Cl)c1O ZINC000096920174 520637295 /nfs/dbraw/zinc/63/72/95/520637295.db2.gz CGBKYIYCNHQVCT-HYXAFXHYSA-N 0 0 373.792 3.671 50 30 FHEARN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C\c2ccc(NC(C)=O)cc2)c1C ZINC000096843705 521357439 /nfs/dbraw/zinc/35/74/39/521357439.db2.gz CKGLJCRSGPWUGY-FLIBITNWSA-N 0 0 354.406 3.663 50 30 FHEARN COc1cc(C(=O)/C=C\c2ccc(OC(F)F)c(OC)c2)ccc1O ZINC000033466986 522051818 /nfs/dbraw/zinc/05/18/18/522051818.db2.gz AHJQECSNXQASTQ-UTCJRWHESA-N 0 0 350.317 3.907 50 30 FHEARN CCc1nc(C#N)c(N=NCc2ccc(-c3ccc(C(=O)OC)cc3)o2)o1 ZINC000028467698 522156388 /nfs/dbraw/zinc/15/63/88/522156388.db2.gz PRRSABQZFMVVMS-SRZZPIQSSA-N 0 0 364.361 3.601 50 30 FHEARN COc1cc(C(=O)O/N=C(\C)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000004523800 522169532 /nfs/dbraw/zinc/16/95/32/522169532.db2.gz ZYOGBBDELITAHV-RGVLZGJSSA-N 0 0 363.797 3.947 50 30 FHEARN COc1ccc(/C=N/n2cnnc2SCc2ccc(C)cc2)cc1OC ZINC000001914451 523458940 /nfs/dbraw/zinc/45/89/40/523458940.db2.gz AQNAZVQGLQZMMB-SRZZPIQSSA-N 0 0 368.462 3.778 50 30 FHEARN CC[C@H](NC(=O)c1sc(-c2ccc(F)cc2)nc1C)C(OC)OC ZINC000328596195 523747846 /nfs/dbraw/zinc/74/78/46/523747846.db2.gz WOUZJDGISQSJBN-ZDUSSCGKSA-N 0 0 352.431 3.960 50 30 FHEARN COc1ccc(NC=C(C(C)=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000100309733 524379082 /nfs/dbraw/zinc/37/90/82/524379082.db2.gz PFDCHQMKDPEYAH-FOWTUZBSSA-N 0 0 357.406 3.763 50 30 FHEARN COc1ccc(N=C(Nc2ccc(C#N)cc2)n2sc(C)cc2=N)cc1 ZINC000020344026 524379935 /nfs/dbraw/zinc/37/99/35/524379935.db2.gz AEXSPMRZJQZQCF-UHFFFAOYSA-N 0 0 363.446 3.866 50 30 FHEARN COc1ccccc1OCC#CCNC(=O)C1(c2cccs2)CCCC1 ZINC000090610401 524655462 /nfs/dbraw/zinc/65/54/62/524655462.db2.gz RHUHXQFBWIBZDU-UHFFFAOYSA-N 0 0 369.486 3.767 50 30 FHEARN COc1ccc(NCc2nnc(SCC#N)n2-c2ccc(C)cc2)cc1 ZINC000004126526 524681639 /nfs/dbraw/zinc/68/16/39/524681639.db2.gz AWWFAHKOKXCOLE-UHFFFAOYSA-N 0 0 365.462 3.812 50 30 FHEARN Cc1ccccc1-c1cc(NC(=O)C(=O)Nc2ccnn2CC2CC2)n[nH]1 ZINC000328596561 525002054 /nfs/dbraw/zinc/00/20/54/525002054.db2.gz CFTXZQAJUALCMI-UHFFFAOYSA-N 0 0 364.409 3.868 50 30 FHEARN COc1cccc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)c1OC ZINC000007350102 525762876 /nfs/dbraw/zinc/76/28/76/525762876.db2.gz QTRIOKZVZLHFPU-VAWYXSNFSA-N 0 0 351.402 3.727 50 30 FHEARN COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccncc2)C3=O)c1 ZINC000005164863 525840620 /nfs/dbraw/zinc/84/06/20/525840620.db2.gz HBTZDWFGIYVGQQ-JAIQZWGSSA-N 0 0 373.364 3.926 50 30 FHEARN Cc1ccc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)cc1[N+](=O)[O-] ZINC000011334696 525953026 /nfs/dbraw/zinc/95/30/26/525953026.db2.gz PXSFBSXXKKOOCB-BQYQJAHWSA-N 0 0 352.390 3.636 50 30 FHEARN Cc1cccc(Cl)c1OCc1ccc(C=NN2C(=S)N=NC2C)o1 ZINC000036611117 526376406 /nfs/dbraw/zinc/37/64/06/526376406.db2.gz RKXQADXUANEKRP-QGMBQPNBSA-N 0 0 362.842 3.891 50 30 FHEARN N#CCCCS(=O)(=O)Oc1ccccc1Oc1ccc(C#N)cc1F ZINC000156296828 526447162 /nfs/dbraw/zinc/44/71/62/526447162.db2.gz QEBNBAOVYUMPMQ-UHFFFAOYSA-N 0 0 360.366 3.502 50 30 FHEARN N#CCCN(CCC#N)C(=O)CSc1nc(-c2ccccc2)cs1 ZINC000005971797 526454841 /nfs/dbraw/zinc/45/48/41/526454841.db2.gz QABTYMSEEZJVTM-UHFFFAOYSA-N 0 0 356.476 3.558 50 30 FHEARN N#CCCn1cc(-c2csc(CCN3CCOC3=O)n2)c2ccccc21 ZINC000059742836 526465795 /nfs/dbraw/zinc/46/57/95/526465795.db2.gz WKWPLLXCEQQBOX-UHFFFAOYSA-N 0 0 366.446 3.673 50 30 FHEARN N#CCCn1cc(C(=O)Nc2nccs2)c(-c2cc3ccccc3o2)n1 ZINC000004516860 526467248 /nfs/dbraw/zinc/46/72/48/526467248.db2.gz NWDFSVAHOPDKOC-UHFFFAOYSA-N 0 0 363.402 3.919 50 30 FHEARN N#CC(C(=O)NCCC1=CCCCC1)c1nc2ccccc2nc1Cl ZINC000011692173 526505686 /nfs/dbraw/zinc/50/56/86/526505686.db2.gz NCDISMGNCKMIBY-AWEZNQCLSA-N 0 0 354.841 3.897 50 30 FHEARN N#Cc1cccc(C(=O)NCc2ccc([C@H](O)c3cccs3)s2)c1 ZINC000085474541 526699608 /nfs/dbraw/zinc/69/96/08/526699608.db2.gz RUYYVWOYPZQGAX-QGZVFWFLSA-N 0 0 354.456 3.693 50 30 FHEARN N#Cc1cccc(C(=O)[C@H](C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000103503455 526700941 /nfs/dbraw/zinc/70/09/41/526700941.db2.gz ZQQLXJKERHSBFY-HNNXBMFYSA-N 0 0 357.291 3.538 50 30 FHEARN N=C(NOC(=O)c1cccs1)c1cccc(CSc2ccccn2)c1 ZINC000004344782 526811265 /nfs/dbraw/zinc/81/12/65/526811265.db2.gz QGACYYOTWTYPQG-UHFFFAOYSA-N 0 0 369.471 3.913 50 30 FHEARN O=C(C=CC=Cc1ccccc1)C[C@]1(O)C(=O)Nc2ccc(Cl)cc21 ZINC000003004017 527597088 /nfs/dbraw/zinc/59/70/88/527597088.db2.gz FVXMSCCPIYINBQ-DXVALISGSA-N 0 0 353.805 3.709 50 30 FHEARN O=C(C=Cc1c[nH]nc1-c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000063275692 527601117 /nfs/dbraw/zinc/60/11/17/527601117.db2.gz AYAIUPIESIPTPM-DHZHZOJOSA-N 0 0 359.429 3.809 50 30 FHEARN O=C(/C=C/c1ccc(OC2CSC2)cc1)c1ccc2c(c1)OCCO2 ZINC000004851645 527617081 /nfs/dbraw/zinc/61/70/81/527617081.db2.gz ALRHPEDTBDPJNG-XVNBXDOJSA-N 0 0 354.427 3.848 50 30 FHEARN O=C(/C=C/c1ccco1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000060101651 527640211 /nfs/dbraw/zinc/64/02/11/527640211.db2.gz UXRKEEQXWILITP-VAWYXSNFSA-N 0 0 353.399 3.977 50 30 FHEARN O=C(/C=C/c1cn(CN2CCOCC2)c2ccccc12)c1cccs1 ZINC000020533233 527646625 /nfs/dbraw/zinc/64/66/25/527646625.db2.gz GYFMRXRYHFABBD-BQYQJAHWSA-N 0 0 352.459 3.889 50 30 FHEARN O=C(C=Cc1c[nH]nc1-c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000098042647 527653688 /nfs/dbraw/zinc/65/36/88/527653688.db2.gz AYAIUPIESIPTPM-FLIBITNWSA-N 0 0 359.429 3.809 50 30 FHEARN COc1ccc(N2CCCCC2)c(NC(=O)c2ccc(C#N)cc2F)c1 ZINC000004998659 536670499 /nfs/dbraw/zinc/67/04/99/536670499.db2.gz KEDZSEXXUQZGSI-UHFFFAOYSA-N 0 0 353.397 3.949 50 30 FHEARN N#Cc1ccccc1NC(=O)c1cccc(C(=O)Nc2ccccc2C#N)c1 ZINC000000758692 568153577 /nfs/dbraw/zinc/15/35/77/568153577.db2.gz WZVLRRVJTHEUNP-UHFFFAOYSA-N 0 0 366.380 3.935 50 30 FHEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1cccs1 ZINC000012348006 568292484 /nfs/dbraw/zinc/29/24/84/568292484.db2.gz VZZAQIQKMSQOAV-QGZVFWFLSA-N 0 0 363.442 3.792 50 30 FHEARN CC(=O)c1c(C)cc(C)c(COC(=O)COc2ccc(C#N)cc2)c1C ZINC000024965369 568320327 /nfs/dbraw/zinc/32/03/27/568320327.db2.gz PJCJNMVNYPJDFI-UHFFFAOYSA-N 0 0 351.402 3.808 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1Cc1ccccc1 ZINC000000635040 570441459 /nfs/dbraw/zinc/44/14/59/570441459.db2.gz ZIEBGJKZJHOSJW-INIZCTEOSA-N 0 0 353.462 3.929 50 30 FHEARN CC(=O)Oc1ccc(/C=C2\Oc3ccc4c(C)cc(=O)oc4c3C2=O)cc1 ZINC000000708797 570451682 /nfs/dbraw/zinc/45/16/82/570451682.db2.gz WUOJTLTXOANKDV-YVLHZVERSA-N 0 0 362.337 3.643 50 30 FHEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1C ZINC000000728371 570454141 /nfs/dbraw/zinc/45/41/41/570454141.db2.gz IWAHYFTWXZOYGI-KRWDZBQOSA-N 0 0 369.461 3.794 50 30 FHEARN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(N2CCCC2)o1 ZINC000001053573 570477745 /nfs/dbraw/zinc/47/77/45/570477745.db2.gz XUAGCAQPRHCZHT-RVDMUPIBSA-N 0 0 357.410 3.911 50 30 FHEARN Cc1cc(/C=N/N2C(=O)c3ccccc3C2=O)c(C)n1-c1ccc(F)cc1 ZINC000001205542 570492354 /nfs/dbraw/zinc/49/23/54/570492354.db2.gz KERITZLCZBNZKW-FSJBWODESA-N 0 0 361.376 3.863 50 30 FHEARN N/N=C1\c2ccccc2C(=O)[C@H]1C(=O)C(c1ccccc1)c1ccccc1 ZINC000100033664 570498399 /nfs/dbraw/zinc/49/83/99/570498399.db2.gz QBGMRRUHCFHZLC-MEQARESCSA-N 0 0 354.409 3.563 50 30 FHEARN COc1cccc(OC)c1-c1cc(-c2scnc2C)nc(N)c1C#N ZINC000071751845 570511449 /nfs/dbraw/zinc/51/14/49/570511449.db2.gz IHDISXFFYXOZOA-UHFFFAOYSA-N 0 0 352.419 3.652 50 30 FHEARN Cc1ncsc1-c1cc(-c2ccnn2-c2ccccc2)c(C#N)c(N)n1 ZINC000071757296 570511833 /nfs/dbraw/zinc/51/18/33/570511833.db2.gz BDYVVOKTHRNDSV-UHFFFAOYSA-N 0 0 358.430 3.820 50 30 FHEARN Cc1ccc(OS(=O)(=O)Cc2cccc(C#N)c2)c(Br)c1 ZINC000119618465 570513982 /nfs/dbraw/zinc/51/39/82/570513982.db2.gz QCHUWWYXMLQZLY-UHFFFAOYSA-N 0 0 366.236 3.538 50 30 FHEARN C[C@H](C(=O)Nc1sccc1C#N)N(C)Cc1c(F)cccc1Cl ZINC000014185362 570518671 /nfs/dbraw/zinc/51/86/71/570518671.db2.gz JBQFBMDDBZMHAH-SNVBAGLBSA-N 0 0 351.834 3.871 50 30 FHEARN CCN(CC)C(=O)N1CCC2(CC1)CC[NH+](Cc1ccccc1C#N)CC2 ZINC000072158727 570526315 /nfs/dbraw/zinc/52/63/15/570526315.db2.gz COQWJWMCRXIZMJ-UHFFFAOYSA-N 0 0 368.525 3.698 50 30 FHEARN CCCOC(=NC(=O)c1ccc2c(c1)OCO2)NCCCc1ccccc1 ZINC000004955248 570567100 /nfs/dbraw/zinc/56/71/00/570567100.db2.gz UEYOYCVBLGIKEF-UHFFFAOYSA-N 0 0 368.433 3.561 50 30 FHEARN O=C1C[C@H](N2CCN(c3ccccc3)CC2)C=C1Nc1ccc(Cl)cc1 ZINC000004347689 570586154 /nfs/dbraw/zinc/58/61/54/570586154.db2.gz KCLWVAYPAFNJFB-LJQANCHMSA-N 0 0 367.880 3.799 50 30 FHEARN CCCc1cc2c3c(c(=O)oc2c(C(=O)/C=C/N(C)C)c1[O-])CCCC3 ZINC000011866519 570597788 /nfs/dbraw/zinc/59/77/88/570597788.db2.gz IHQBKWUVZABPFL-ZHACJKMWSA-N 0 0 355.434 3.588 50 30 FHEARN O=[N+]([O-])c1ccc([N+](=O)[O-])c(N=NC(c2ccccc2)c2ccncc2)c1 ZINC000252626605 570624652 /nfs/dbraw/zinc/62/46/52/570624652.db2.gz RBXZZOGLUVLIMD-UHFFFAOYSA-N 0 0 363.333 3.763 50 30 FHEARN C=CCN1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@H](c3ccccc3)N2C1=S ZINC000001129410 570641979 /nfs/dbraw/zinc/64/19/79/570641979.db2.gz NKEVTGXYYSJFOQ-QUCCMNQESA-N 0 0 373.481 3.797 50 30 biogenic FHEARN N#Cc1ccc(CN2CCN(Cc3c(F)cccc3Cl)CC2)c(F)c1 ZINC000022836107 570694056 /nfs/dbraw/zinc/69/40/56/570694056.db2.gz VDJAJHZEGVTKLV-UHFFFAOYSA-N 0 0 361.823 3.808 50 30 FHEARN CCOC(=O)[C@H](N1CCCCC1)C(C#N)(c1ccccc1)c1ccccc1 ZINC000012412206 570743423 /nfs/dbraw/zinc/74/34/23/570743423.db2.gz HSSLGFAIWJIOPK-NRFANRHFSA-N 0 0 362.473 3.914 50 30 FHEARN CCOc1ccc(N(CCC#N)C(=O)CN2CCCc3ccccc32)cc1 ZINC000012729791 570758605 /nfs/dbraw/zinc/75/86/05/570758605.db2.gz QXKPGMQWNKAIDT-UHFFFAOYSA-N 0 0 363.461 3.785 50 30 FHEARN Cc1c2c(nc(S[C@H](C(=O)N(C)C)c3ccccc3)c1C#N)CCC2 ZINC000017748933 570762032 /nfs/dbraw/zinc/76/20/32/570762032.db2.gz NGJIDUCRMOVTBV-SFHVURJKSA-N 0 0 351.475 3.672 50 30 FHEARN CC(=O)C(=NNc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000013601779 570780330 /nfs/dbraw/zinc/78/03/30/570780330.db2.gz SGTACRLDUFNAOS-QNGOZBTKSA-N 0 0 350.205 3.989 50 30 FHEARN COc1ccc(Br)cc1/C=C1\C(=O)ON=C1c1ccccc1 ZINC000013658895 570782589 /nfs/dbraw/zinc/78/25/89/570782589.db2.gz JYEYQUZDPXJGCI-UVTDQMKNSA-N 0 0 358.191 3.802 50 30 FHEARN CC/N=C1\S/C(=C\c2cccn2-c2ccc(N(C)C)cc2)C(=O)N1CC ZINC000013881088 570794914 /nfs/dbraw/zinc/79/49/14/570794914.db2.gz RHJGSCJXSISQBL-PTPABZONSA-N 0 0 368.506 3.855 50 30 FHEARN Cc1c2c(nc(S[C@@H](C)C(=O)NCc3cccs3)c1C#N)CCC2 ZINC000032776202 570798183 /nfs/dbraw/zinc/79/81/83/570798183.db2.gz UFOZSCGPYCTYOI-LBPRGKRZSA-N 0 0 357.504 3.609 50 30 FHEARN C=CCOC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1OC ZINC000004526237 570817900 /nfs/dbraw/zinc/81/79/00/570817900.db2.gz OPRLDBUGFDVTHC-GHRIWEEISA-N 0 0 371.820 3.849 50 30 FHEARN CCCCCCCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccccc1F ZINC000101285081 570818194 /nfs/dbraw/zinc/81/81/94/570818194.db2.gz SUQVJXTXKBMANL-KRWDZBQOSA-N 0 0 373.432 3.615 50 30 FHEARN CCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(O)cc1 ZINC000101285028 570818222 /nfs/dbraw/zinc/81/82/22/570818222.db2.gz UJQUYNFLZQOZQQ-SFHVURJKSA-N 0 0 370.453 3.786 50 30 FHEARN Nc1c(-c2nc3ccccc3s2)c(O)cn1N=Cc1cccc(O)c1 ZINC000102730784 570836970 /nfs/dbraw/zinc/83/69/70/570836970.db2.gz DLTOLMPPPPBMLW-RICWVNQTSA-N 0 0 350.403 3.598 50 30 FHEARN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000102801244 570839027 /nfs/dbraw/zinc/83/90/27/570839027.db2.gz UOJKPWUROUAEFY-LFVOPCPISA-N 0 0 374.371 3.847 50 30 FHEARN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000102800923 570839071 /nfs/dbraw/zinc/83/90/71/570839071.db2.gz YSFUZBLCESUGLH-WOOAAIBNSA-N 0 0 356.381 3.708 50 30 FHEARN O=C1c2ccccc2C(=O)C(N2CCOCC2)=C1Nc1cccc(Cl)c1 ZINC000102925624 570840990 /nfs/dbraw/zinc/84/09/90/570840990.db2.gz HCPOZIRDEFIJMM-XLNRJJMWSA-N 0 0 368.820 3.868 50 30 FHEARN C/N=C1/S/C(=C\c2ccc(OC)c(OC)c2)C(=O)N1C1CCCCC1 ZINC000103886048 570853011 /nfs/dbraw/zinc/85/30/11/570853011.db2.gz SSRCVMJJMNARSB-QLJNEMMGSA-N 0 0 360.479 3.939 50 30 FHEARN CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2ccc[nH]2)C1=O ZINC000103846764 570853168 /nfs/dbraw/zinc/85/31/68/570853168.db2.gz SOUGNQDMUTYHMY-RVDMUPIBSA-N 0 0 370.430 3.567 50 30 FHEARN CC1=C(C(N)=S)[C@@H](c2ccccc2F)C2=C(N1)c1ccccc1C2=O ZINC000103989963 570854895 /nfs/dbraw/zinc/85/48/95/570854895.db2.gz OIJKFEPGJIXQCF-MRXNPFEDSA-N 0 0 350.418 3.680 50 30 FHEARN CCOC(=O)C1=C(Nc2cccc(F)c2)SC(=Cc2cccnc2)C1=O ZINC000103312331 570861278 /nfs/dbraw/zinc/86/12/78/570861278.db2.gz VPHSWNSSTGJREL-OQLLNIDSSA-N 0 0 370.405 3.764 50 30 FHEARN Cc1ccc(-c2nsc(NC(=O)Cc3ccc(OCC#N)cc3)n2)s1 ZINC000110276606 570866790 /nfs/dbraw/zinc/86/67/90/570866790.db2.gz NMMRYZQXESKNPM-UHFFFAOYSA-N 0 0 370.459 3.659 50 30 FHEARN O=C1N/C(=N/N=C/c2ccco2)S[C@@H]1Cc1ccc(Cl)cc1Cl ZINC000018083246 570875280 /nfs/dbraw/zinc/87/52/80/570875280.db2.gz YHDREEMRIJGFSE-NACCWKTGSA-N 0 0 368.245 3.751 50 30 FHEARN COc1cccc(/C=N/c2ccc(I)cc2)c1O ZINC000018285531 570877902 /nfs/dbraw/zinc/87/79/02/570877902.db2.gz BTSADZVEHYYJKP-CXUHLZMHSA-N 0 0 353.159 3.756 50 30 FHEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000019315126 570885634 /nfs/dbraw/zinc/88/56/34/570885634.db2.gz TWBJQPAPCOXILT-IBGZPJMESA-N 0 0 368.477 3.674 50 30 FHEARN COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000019315040 570885674 /nfs/dbraw/zinc/88/56/74/570885674.db2.gz SOUNQKFVLZJKJG-LJQANCHMSA-N 0 0 355.434 3.615 50 30 FHEARN N#Cc1ccc(OCCOC(=O)c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 ZINC000012110069 570889472 /nfs/dbraw/zinc/88/94/72/570889472.db2.gz NLMUVQXHMBSKME-UHFFFAOYSA-N 0 0 367.792 3.838 50 30 FHEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COc1cc(F)ccc1[N+](=O)[O-] ZINC000045385312 570908153 /nfs/dbraw/zinc/90/81/53/570908153.db2.gz HDHYGGXQTGIXAM-YBFXNURJSA-N 0 0 370.380 3.993 50 30 FHEARN Cc1ccc(C(=O)N/C(=N/c2ccccc2)NCc2ccncc2)cc1F ZINC000045940020 570915014 /nfs/dbraw/zinc/91/50/14/570915014.db2.gz KDVGLXWQCQCPLS-UHFFFAOYSA-N 0 0 362.408 3.736 50 30 FHEARN O=C(N/C(=N/c1ccc(F)cc1)NCc1ccncc1)c1cccc(F)c1 ZINC000045939940 570915091 /nfs/dbraw/zinc/91/50/91/570915091.db2.gz NABOEXGSPJMXJT-UHFFFAOYSA-N 0 0 366.371 3.567 50 30 FHEARN N#CCCN(C(=O)CN1CCC[C@@H]1c1ccsc1)c1ccccc1F ZINC000046089284 570926106 /nfs/dbraw/zinc/92/61/06/570926106.db2.gz ANJUOSNLXDQQOV-QGZVFWFLSA-N 0 0 357.454 3.971 50 30 FHEARN O=C(N=C(NCc1ccccn1)Nc1ccc(F)cc1)c1ccc(F)cc1 ZINC000046126462 570927184 /nfs/dbraw/zinc/92/71/84/570927184.db2.gz VLOAHYJWIUYHMU-UHFFFAOYSA-N 0 0 366.371 3.758 50 30 FHEARN Cc1cccc(NC(=NC(=O)c2cccc(C)c2)NC[C@@H]2CCCO2)c1 ZINC000046130474 570927996 /nfs/dbraw/zinc/92/79/96/570927996.db2.gz JJLXACZZJUPVET-IBGZPJMESA-N 0 0 351.450 3.680 50 30 FHEARN Cc1ccc(NC(=NC(=O)c2ccc(F)cc2)NC[C@@H]2CCCO2)cc1 ZINC000046130334 570928096 /nfs/dbraw/zinc/92/80/96/570928096.db2.gz HBLKNKYSNCYYBY-SFHVURJKSA-N 0 0 355.413 3.511 50 30 FHEARN CCc1cccc(NC(=NC(=O)c2ccc(C)cc2)NC[C@H]2CCCO2)c1 ZINC000046130798 570928514 /nfs/dbraw/zinc/92/85/14/570928514.db2.gz CCFBUXUSQLDNBS-HXUWFJFHSA-N 0 0 365.477 3.934 50 30 FHEARN CCc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(F)cc2)cc1 ZINC000046132104 570928853 /nfs/dbraw/zinc/92/88/53/570928853.db2.gz RMTICXINYWXIPD-LJQANCHMSA-N 0 0 369.440 3.765 50 30 FHEARN CCc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(F)c2)cc1 ZINC000046131897 570928974 /nfs/dbraw/zinc/92/89/74/570928974.db2.gz ROIQRBPKPPRSLR-LJQANCHMSA-N 0 0 369.440 3.765 50 30 FHEARN Cc1nn(C)cc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000022288802 570942957 /nfs/dbraw/zinc/94/29/57/570942957.db2.gz JUUNJEFVFFDRPI-UHFFFAOYSA-N 0 0 367.493 3.702 50 30 FHEARN Cc1noc(-c2ccc(C(=O)OCc3cn4ccccc4c3C#N)cc2)n1 ZINC000048300731 570944751 /nfs/dbraw/zinc/94/47/51/570944751.db2.gz XENIJNMTWRSKQY-UHFFFAOYSA-N 0 0 358.357 3.526 50 30 FHEARN CSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000022608285 570947383 /nfs/dbraw/zinc/94/73/83/570947383.db2.gz FULOESUDTYECLY-BJOHPYRUSA-N 0 0 360.870 3.921 50 30 FHEARN CCOC(=O)c1cc(OCc2cc(C#N)ccc2F)cc(C(=O)OCC)c1 ZINC000010870402 570950780 /nfs/dbraw/zinc/95/07/80/570950780.db2.gz OWOHFUFJJYXIOX-UHFFFAOYSA-N 0 0 371.364 3.630 50 30 FHEARN C=CCn1cc(CN2CCO[C@H](Cc3cccc4ccccc43)C2)c(C)n1 ZINC000071752016 571053019 /nfs/dbraw/zinc/05/30/19/571053019.db2.gz FLJGUEXOKXJIJZ-JOCHJYFZSA-N 0 0 361.489 3.974 50 30 FHEARN C=CCNC(=S)Nc1sc2c(c1C(=O)OCC)C[C@@](C)(CC)OC2 ZINC000008691040 571055422 /nfs/dbraw/zinc/05/54/22/571055422.db2.gz ZNWWFVSDWQOFOT-QGZVFWFLSA-N 0 0 368.524 3.639 50 30 FHEARN O=C(NCCc1nc2ccccc2[nH]1)c1ccc(C#Cc2ccccc2)cc1 ZINC000008718854 571057343 /nfs/dbraw/zinc/05/73/43/571057343.db2.gz PCFXHONMBRPOOP-UHFFFAOYSA-N 0 0 365.436 3.935 50 30 FHEARN C=CCn1cc(CN(Cc2cccnc2)Cc2ccccc2OC)c(C)n1 ZINC000055254440 571058482 /nfs/dbraw/zinc/05/84/82/571058482.db2.gz GQSNOYXTHRLNQB-UHFFFAOYSA-N 0 0 362.477 3.984 50 30 FHEARN C=CCC1(CC=C)CCCN1C(=O)c1ccc(CSc2nc[nH]n2)o1 ZINC000055244972 571058585 /nfs/dbraw/zinc/05/85/85/571058585.db2.gz SJOXRKFADCJPBU-UHFFFAOYSA-N 0 0 358.467 3.817 50 30 FHEARN C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)c1cc(-c2cnn(C)c2C)n[nH]1 ZINC000055326240 571058610 /nfs/dbraw/zinc/05/86/10/571058610.db2.gz GXUSGJJXKYJYJL-IRXDYDNUSA-N 0 0 365.481 3.800 50 30 FHEARN C=CCN(Cc1ccncc1)C(=O)CCC(=O)Nc1c(C)cc(C)cc1C ZINC000055255482 571058718 /nfs/dbraw/zinc/05/87/18/571058718.db2.gz 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N#Cc1ccccc1S(=O)(=O)Oc1cccc(Oc2ccccn2)c1 ZINC000024991898 571093195 /nfs/dbraw/zinc/09/31/95/571093195.db2.gz POHSFLYBICQPKI-UHFFFAOYSA-N 0 0 352.371 3.513 50 30 FHEARN C=CCN(C)C(=O)c1csc(NC(=O)c2ccc(Cl)cc2Cl)n1 ZINC000040355841 571095032 /nfs/dbraw/zinc/09/50/32/571095032.db2.gz WFECCOHYCJSBBN-UHFFFAOYSA-N 0 0 370.261 3.960 50 30 FHEARN CC1CCN(CN2c3ccccc3/C(=N/c3cccc(F)c3)C2=O)CC1 ZINC000012417803 571097390 /nfs/dbraw/zinc/09/73/90/571097390.db2.gz YZCJMBXHWPHCQW-ATJXCDBQSA-N 0 0 351.425 3.983 50 30 FHEARN C=CCn1c2ccc(Br)cc2c(=O)n(C2CCCCC2)c1=O ZINC000006759130 571104040 /nfs/dbraw/zinc/10/40/40/571104040.db2.gz BZHZECZROCIZFO-UHFFFAOYSA-N 0 0 363.255 3.617 50 30 FHEARN CC#CC(=O)N1CCC[C@H](C(=O)Nc2ccc(-c3cccc(F)c3)cc2)C1 ZINC000012714339 571118313 /nfs/dbraw/zinc/11/83/13/571118313.db2.gz ZHNWBJIMEHHVRT-SFHVURJKSA-N 0 0 364.420 3.693 50 30 FHEARN C=CCNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc21 ZINC000013945780 571120634 /nfs/dbraw/zinc/12/06/34/571120634.db2.gz 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/nfs/dbraw/zinc/28/48/83/571284883.db2.gz FYDGZWFQEMOMFQ-UHFFFAOYSA-N 0 0 373.478 3.721 50 30 FHEARN Cc1n[nH]c(C)c1N=C1S/C(=C2\Sc3ccccc3N2C)C(=O)N1C ZINC000252636965 571291476 /nfs/dbraw/zinc/29/14/76/571291476.db2.gz XOLFTMDZWCFVBT-BTLQDLPWSA-N 0 0 371.491 3.630 50 30 FHEARN C=CCC1(CC=C)C[C@H](O)[C@@H]2[C@@H](CC=C3CC4(CC[C@@]32C)OCCO4)C1=O ZINC000032105551 571308507 /nfs/dbraw/zinc/30/85/07/571308507.db2.gz QHQOIHNSBHTJLJ-JKBKZWBZSA-N 0 0 372.505 3.955 50 30 FHEARN CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C ZINC000077270453 571309149 /nfs/dbraw/zinc/30/91/49/571309149.db2.gz UFEOMHFPJREVTP-PTRHGPIFSA-N 0 0 366.457 3.883 50 30 FHEARN C=CCNC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc21 ZINC000002290259 571314704 /nfs/dbraw/zinc/31/47/04/571314704.db2.gz QRCKFLRTHONPSG-UHFFFAOYSA-N 0 0 371.444 3.689 50 30 FHEARN C=CCN1C(=O)C(=Cc2cn(CCC)c3ccccc23)C(=O)NC1=S ZINC000002351818 571318626 /nfs/dbraw/zinc/31/86/26/571318626.db2.gz OFOAVAZUCVLUQI-RVDMUPIBSA-N 0 0 353.447 3.704 50 30 FHEARN Cc1nc(C)n(CCCNC(=O)c2cccc(-c3ccc(C#N)cc3C)c2)n1 ZINC000299788852 571318810 /nfs/dbraw/zinc/31/88/10/571318810.db2.gz TYUWEIMNZDXVGE-UHFFFAOYSA-N 0 0 373.460 3.562 50 30 FHEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1 ZINC000000663277 571319078 /nfs/dbraw/zinc/31/90/78/571319078.db2.gz BQEDBGGALJJCBD-UHFFFAOYSA-N 0 0 368.487 3.723 50 30 FHEARN Cc1ccc(OC[C@H]2CCCN(C(=O)c3cc(F)cc(C#N)c3)C2)cc1 ZINC000077323876 571320986 /nfs/dbraw/zinc/32/09/86/571320986.db2.gz UJCYCFXPFGZAGX-INIZCTEOSA-N 0 0 352.409 3.937 50 30 FHEARN Cc1nn(C)c(C)c1[C@@H](C)N(C)C(=O)c1cccc(-c2ccc(C#N)nc2)c1 ZINC000426372122 571322071 /nfs/dbraw/zinc/32/20/71/571322071.db2.gz PQICWYLUTKHYSQ-OAHLLOKOSA-N 0 0 373.460 3.804 50 30 FHEARN N#Cc1ccnc(-c2cccc(C(=O)N3CCCC4(CCOCC4)C3)c2)c1 ZINC000426490464 571322129 /nfs/dbraw/zinc/32/21/29/571322129.db2.gz OPGDLIFHLYGFIU-UHFFFAOYSA-N 0 0 361.445 3.653 50 30 FHEARN COc1ccc(/C=C2\Oc3cc(OC(=O)C4CC4)ccc3C2=O)cc1OC ZINC000012862973 571322808 /nfs/dbraw/zinc/32/28/08/571322808.db2.gz VSIDDMBUUJYJEQ-GRSHGNNSSA-N 0 0 366.369 3.635 50 30 FHEARN COc1cccc(-c2nc3cc(-c4cccc(C)c4)nn3c(N)c2C#N)c1 ZINC000019797073 571327250 /nfs/dbraw/zinc/32/72/50/571327250.db2.gz ODEWIPYHOZCXGE-UHFFFAOYSA-N 0 0 355.401 3.834 50 30 FHEARN C[C@H]1CCC[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccncc2)O3)C1 ZINC000020517925 571330520 /nfs/dbraw/zinc/33/05/20/571330520.db2.gz ZRBIOUMOFYOBQD-KVMVOAJRSA-N 0 0 350.418 3.635 50 30 FHEARN CC(C)c1nnc(NC(=O)Cn2ccc3c2cccc3Br)[nH]1 ZINC000095474395 571330815 /nfs/dbraw/zinc/33/08/15/571330815.db2.gz WIRTZYWJWRZBFA-UHFFFAOYSA-N 0 0 362.231 3.934 50 30 FHEARN Cc1ccoc1C(=O)NCCCNc1cc(C#N)ccc1C(F)(F)F ZINC000095971349 571333170 /nfs/dbraw/zinc/33/31/70/571333170.db2.gz CXSODCHKNFVOIY-UHFFFAOYSA-N 0 0 351.328 3.711 50 30 FHEARN N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@H](O)Cc1ccccc1 ZINC000225819621 571338472 /nfs/dbraw/zinc/33/84/72/571338472.db2.gz HPKCONFDAXZNGK-CYBMUJFWSA-N 0 0 357.335 3.539 50 30 FHEARN CC(=O)C1=C2C[C@H](c3ccccc3)N(Cc3ccccc3)C[C@@]2(C)OC1=O ZINC000230210120 571344710 /nfs/dbraw/zinc/34/47/10/571344710.db2.gz PABCIRHVJYRDQO-NFBKMPQASA-N 0 0 361.441 3.835 50 30 FHEARN O=C1c2ccc3c(c2O/C1=C\c1cccnc1)[C@H](c1ccncc1)CC(=O)O3 ZINC000218118108 571352436 /nfs/dbraw/zinc/35/24/36/571352436.db2.gz YZSXEKSYBOEXQV-PMFHANACSA-N 0 0 370.364 3.534 50 30 FHEARN Cc1nc(C#N)c(N2CCC(C(=O)N3CCC=Cc4ccccc43)CC2)o1 ZINC000194217467 934594049 /nfs/dbraw/zinc/59/40/49/934594049.db2.gz WTVKZRHGCPBSBY-UHFFFAOYSA-N 0 0 362.433 3.521 50 30 FHEARN CC(=O)C(=CNc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000100944367 934821906 /nfs/dbraw/zinc/82/19/06/934821906.db2.gz WJNGWTIKKGKACQ-YBEGLDIGSA-N 0 0 353.802 3.795 50 30 FHEARN C[C@@H]1C[C@@H](C)CN(/C(=N/S(=O)(=O)c2ccc(F)cc2)c2ccccc2)C1 ZINC000018102756 945302547 /nfs/dbraw/zinc/30/25/47/945302547.db2.gz YTMXFXCIRZRDAL-OVDVQJHRSA-N 0 0 374.481 3.939 50 30 FHEARN O=C(/C=C/c1cc2c(cc1OC(F)F)OCO2)c1cn2ccccc2n1 ZINC000328593109 941794720 /nfs/dbraw/zinc/79/47/20/941794720.db2.gz BAVGJSBILHZFQZ-SNAWJCMRSA-N 0 0 358.300 3.561 50 30 FHEARN COC(=O)c1cc(C(C)(C)NC(=O)C=C(C)c2ccc(OC)cc2)no1 ZINC000328594142 941795722 /nfs/dbraw/zinc/79/57/22/941795722.db2.gz UWXBBXWANIOUJC-BENRWUELSA-N 0 0 358.394 3.765 50 30 FHEARN O=C(Nc1nnc(C2CCC2)[nH]1)c1cc2sc(N3CCCC3)nc2s1 ZINC000330001971 944319703 /nfs/dbraw/zinc/31/97/03/944319703.db2.gz AQOWRHHVSGQHLW-UHFFFAOYSA-N 0 0 374.495 3.980 50 30 FHEARN CC1(C)CC(=O)C2=C(C1)C(C#N)(C#N)[C@H](c1ccc([N+](=O)[O-])cc1)CC2=O ZINC000106871294 948330848 /nfs/dbraw/zinc/33/08/48/948330848.db2.gz PFONIHBNLNVGGC-AWEZNQCLSA-N 0 0 363.373 3.853 50 30 FHEARN C#CCCC1(CCC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)N=N1 ZINC000888096253 948423868 /nfs/dbraw/zinc/42/38/68/948423868.db2.gz PBQVTABXNLEALO-HNNXBMFYSA-N 0 0 358.873 3.638 50 30 FHEARN N#Cc1c(NC(=S)NC(=O)CCc2ccccc2)sc2c1CCCC2 ZINC000001126142 219376259 /nfs/dbraw/zinc/37/62/59/219376259.db2.gz QGOZOLQKMWUWAT-UHFFFAOYSA-N 0 0 369.515 3.944 50 30 FHEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2OCC)C1 ZINC000007543484 203840818 /nfs/dbraw/zinc/84/08/18/203840818.db2.gz MHJQFURTGLTILH-MRXNPFEDSA-N 0 0 359.429 3.589 50 30 FHEARN C=CCOc1c(Cl)cc(C(=O)NCc2cnc(C)cn2)cc1Cl ZINC000055211903 203802119 /nfs/dbraw/zinc/80/21/19/203802119.db2.gz AHCNXKRKGKFWOC-UHFFFAOYSA-N 0 0 352.221 3.587 50 30 FHEARN C=CCN1CC(Oc2ccccc2)=NC(SCC(=O)c2ccccc2)=N1 ZINC000057401670 203804417 /nfs/dbraw/zinc/80/44/17/203804417.db2.gz IATCLMGZMHEEPJ-UHFFFAOYSA-N 0 0 365.458 3.853 50 30 FHEARN C=CCn1c2cc(C(=O)Nc3ccc(OC)c(Cl)c3)ccc2oc1=O ZINC000064894704 203822721 /nfs/dbraw/zinc/82/27/21/203822721.db2.gz QYXSKBGUFMLRBY-UHFFFAOYSA-N 0 0 358.781 3.695 50 30 FHEARN C=CCn1c(SCC)nc2sc3c(c2c1=O)C[C@@H](C(C)C)OC3 ZINC000004857036 203829006 /nfs/dbraw/zinc/82/90/06/203829006.db2.gz LNLOTZUBRNFARY-LBPRGKRZSA-N 0 0 350.509 3.853 50 30 FHEARN C=CCNc1nnc(S[C@@H](CCCC)C(=O)Nc2cc(C)on2)s1 ZINC000008709099 203849893 /nfs/dbraw/zinc/84/98/93/203849893.db2.gz PRDPBCGZDJRTGO-NSHDSACASA-N 0 0 367.500 3.722 50 30 FHEARN C#CCN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000000979830 203859779 /nfs/dbraw/zinc/85/97/79/203859779.db2.gz GMXFYARZCRVQQM-GDNBJRDFSA-N 0 0 354.343 3.524 50 30 FHEARN C=CCN1c2ccccc2[C@](O)(CC(=O)c2ccc3c(c2)CCCC3)C1=O ZINC000000783754 203860307 /nfs/dbraw/zinc/86/03/07/203860307.db2.gz NEULWMBEEIOQMR-HSZRJFAPSA-N 0 0 361.441 3.559 50 30 FHEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccccc1F ZINC000019794791 203863660 /nfs/dbraw/zinc/86/36/60/203863660.db2.gz SREMPAYDHMLCQX-UHFFFAOYSA-N 0 0 371.408 3.519 50 30 FHEARN CCc1ccc(OCC(=O)Nc2cccc(C#N)c2)c(Br)c1 ZINC000000676546 203942198 /nfs/dbraw/zinc/94/21/98/203942198.db2.gz PBYUKOGVECZDTD-UHFFFAOYSA-N 0 0 359.223 3.901 50 30 FHEARN Cn1cccc1/C=C1/S/C(=N\c2cccc(C(F)(F)F)c2)NC1=O ZINC000002419909 204039227 /nfs/dbraw/zinc/03/92/27/204039227.db2.gz BRHSBBGXEPHUSG-UKTHLTGXSA-N 0 0 351.353 3.936 50 30 FHEARN COc1ccc(CCNc2oc(COc3ccccc3F)nc2C#N)cc1 ZINC000002484554 204040957 /nfs/dbraw/zinc/04/09/57/204040957.db2.gz DNUXKAVGOKGBMX-UHFFFAOYSA-N 0 0 367.380 3.928 50 30 aggregator FHEARN COc1ccc(C(=O)O/N=C2/c3ccccc3N(c3ccccc3)C2=O)cc1 ZINC000001403243 204004348 /nfs/dbraw/zinc/00/43/48/204004348.db2.gz JQNGWWBFNFBWTH-ATJXCDBQSA-N 0 0 372.380 3.935 50 30 FHEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccncc1 ZINC000001424130 204006358 /nfs/dbraw/zinc/00/63/58/204006358.db2.gz AYTAKYRWGVPCKS-QGZVFWFLSA-N 0 0 354.450 3.639 50 30 FHEARN COC(=O)[C@H]1C(=O)C=C(Nc2ccc(F)cc2F)C[C@H]1c1ccccc1 ZINC000001440876 204007438 /nfs/dbraw/zinc/00/74/38/204007438.db2.gz DKJPKGHUDWMGTE-HNAYVOBHSA-N 0 0 357.356 3.806 50 30 FHEARN S=C1N=NC(c2cccnc2)N1N=Cc1ccc(Cl)c(Cl)c1 ZINC000001475338 204009193 /nfs/dbraw/zinc/00/91/93/204009193.db2.gz IBSUWZQNGZANHO-CNHKJKLMSA-N 0 0 350.234 3.818 50 30 FHEARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccs2)C2=C(CCCC2=O)N1 ZINC000002495211 204042607 /nfs/dbraw/zinc/04/26/07/204042607.db2.gz GGPWXZRABYKDDH-IBGZPJMESA-N 0 0 365.458 3.750 50 30 FHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(OC)c1 ZINC000002055161 204024958 /nfs/dbraw/zinc/02/49/58/204024958.db2.gz YZIBORGQMJCCMQ-IBGZPJMESA-N 0 0 355.434 3.616 50 30 FHEARN COc1ccc(CNc2oc(COc3ccccc3F)nc2C#N)cc1 ZINC000002349318 204035729 /nfs/dbraw/zinc/03/57/29/204035729.db2.gz AGFHYFTYONXGDX-UHFFFAOYSA-N 0 0 353.353 3.885 50 30 FHEARN CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccccc1 ZINC000002883499 204066043 /nfs/dbraw/zinc/06/60/43/204066043.db2.gz FWVUCXOMYOKENB-UHFFFAOYSA-N 0 0 363.446 3.567 50 30 FHEARN C[S@](=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1C#N ZINC000003104742 204078161 /nfs/dbraw/zinc/07/81/61/204078161.db2.gz ACLKUAXMPVMBMM-JOCHJYFZSA-N 0 0 353.230 3.855 50 30 FHEARN COc1ccc(-c2csc(NC(=O)COc3ccc(C#N)cc3)n2)cc1 ZINC000003222441 204082369 /nfs/dbraw/zinc/08/23/69/204082369.db2.gz FMUMNKYJWYBDNW-UHFFFAOYSA-N 0 0 365.414 3.708 50 30 FHEARN N#CCCN(C(=O)COC(=O)/C=C/c1ccc(Cl)cc1)c1ccccc1 ZINC000003250870 204084661 /nfs/dbraw/zinc/08/46/61/204084661.db2.gz GDQXVWNPFLUGQS-FMIVXFBMSA-N 0 0 368.820 3.843 50 30 FHEARN N#Cc1ccccc1NC(=O)CSc1nnc2sc3ccccc3n12 ZINC000003262280 204086396 /nfs/dbraw/zinc/08/63/96/204086396.db2.gz JTMKPABTROIHEB-UHFFFAOYSA-N 0 0 365.443 3.546 50 30 FHEARN Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2Cl)cc1 ZINC000003276829 204087311 /nfs/dbraw/zinc/08/73/11/204087311.db2.gz OKSFNMZZGILCOI-HNNXBMFYSA-N 0 0 357.822 3.630 50 30 FHEARN NC1=C(c2nc(-c3ccc(F)cc3)cs2)C(=O)CN1c1ccccc1 ZINC000003885579 204112626 /nfs/dbraw/zinc/11/26/26/204112626.db2.gz ZRKBAPCGDISJGE-UHFFFAOYSA-N 0 0 351.406 3.666 50 30 FHEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(CC)cc1 ZINC000003901703 204114542 /nfs/dbraw/zinc/11/45/42/204114542.db2.gz YROCQRKDIPKBCT-HXUWFJFHSA-N 0 0 351.446 3.946 50 30 FHEARN O=[N+]([O-])c1cccc(CN=Nc2ncnc3sc4c(c32)CCCC4)c1 ZINC000003898470 204114734 /nfs/dbraw/zinc/11/47/34/204114734.db2.gz STZMEAFXWDJBIT-AWQFTUOYSA-N 0 0 353.407 3.924 50 30 FHEARN CCN(CC)c1ccc(C=[NH+][N-]c2nc(C)cc(COC)c2C#N)cc1 ZINC000004016790 204117903 /nfs/dbraw/zinc/11/79/03/204117903.db2.gz JJQVODSLZSVPHF-LPYMAVHISA-N 0 0 351.454 3.700 50 30 FHEARN Cc1cc(C(=O)COC(=O)c2ccc(C#N)cc2)c(C)n1Cc1ccco1 ZINC000003542555 204105359 /nfs/dbraw/zinc/10/53/59/204105359.db2.gz NETKREWOVDYOPT-UHFFFAOYSA-N 0 0 362.385 3.658 50 30 FHEARN CCOC1(OCC)O[C@@](C#N)(c2ccc(Cl)cc2)C1(OCC)OCC ZINC000004568277 204147539 /nfs/dbraw/zinc/14/75/39/204147539.db2.gz YJQWRRBQCVAUBJ-INIZCTEOSA-N 0 0 369.845 3.585 50 30 FHEARN COc1ccccc1C=NNc1nc2ccccc2c(=O)n1-c1ccccc1 ZINC000004611086 204151031 /nfs/dbraw/zinc/15/10/31/204151031.db2.gz VNFXBXNRJFIAGH-HZHRSRAPSA-N 0 0 370.412 3.840 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccncc1 ZINC000004621243 204151082 /nfs/dbraw/zinc/15/10/82/204151082.db2.gz RUVKUQSYYJCJBD-DYESRHJHSA-N 0 0 374.440 3.616 50 30 FHEARN COC(=O)C1=C(Nc2ccccc2F)SC(=Cc2cccc(O)c2)C1=O ZINC000004696127 204155612 /nfs/dbraw/zinc/15/56/12/204155612.db2.gz IZRZOFAHFMDUMO-GDNBJRDFSA-N 0 0 371.389 3.685 50 30 FHEARN CCNC(=S)N(CCCNC1=CC(=O)CC(C)(C)C1)C1CCCCC1 ZINC000004702205 204156547 /nfs/dbraw/zinc/15/65/47/204156547.db2.gz FUUDUDLVBBXMIM-UHFFFAOYSA-N 0 0 365.587 3.768 50 30 FHEARN Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc(C#N)cc2)CC1=O ZINC000004702442 204156613 /nfs/dbraw/zinc/15/66/13/204156613.db2.gz AKHMNMOMPXRKMO-AWEZNQCLSA-N 0 0 353.809 3.512 50 30 FHEARN CCOc1ccc(/N=C2\NC(=O)/C(=C\c3cc(C)n(C)c3C)S2)cc1 ZINC000004704733 204156658 /nfs/dbraw/zinc/15/66/58/204156658.db2.gz BUEVGUBMBUDCGQ-GZTJUZNOSA-N 0 0 355.463 3.932 50 30 FHEARN COC(=O)/C=C1/S/C(=N\C2CCCCC2)N(C2CCCCC2)C1=O ZINC000004699807 204157169 /nfs/dbraw/zinc/15/71/69/204157169.db2.gz IFPVESXDQQOKBN-RTFHHYCWSA-N 0 0 350.484 3.640 50 30 FHEARN CCOc1ccccc1NC(=NS(=O)(=O)c1ccccc1)C(F)(F)F ZINC000004758408 204162239 /nfs/dbraw/zinc/16/22/39/204162239.db2.gz MNWWDMGNXQKWCR-UHFFFAOYSA-N 0 0 372.368 3.847 50 30 FHEARN COc1cccc(C(=O)Cc2nc3ccc(C(F)(F)F)cc3[nH]c2=O)c1 ZINC000004821999 204166329 /nfs/dbraw/zinc/16/63/29/204166329.db2.gz PHQUUJMMSGLIQA-DHDCSXOGSA-N 0 0 362.307 3.845 50 30 FHEARN Cc1cc(S[C@H](C)C(=O)N2CCCC2)n2c3ccccc3nc2c1C#N ZINC000004269687 204129843 /nfs/dbraw/zinc/12/98/43/204129843.db2.gz TUXBGLATTZHROK-CQSZACIVSA-N 0 0 364.474 3.771 50 30 FHEARN O=[N+]([O-])c1ccc(O/N=C/c2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000004300765 204130976 /nfs/dbraw/zinc/13/09/76/204130976.db2.gz FQPNDYHMRKXZPS-QGMBQPNBSA-N 0 0 355.228 3.935 50 30 FHEARN N=C(CSc1ccc(C(F)(F)F)cn1)NOC(=O)Nc1ccccc1 ZINC000004365248 204135794 /nfs/dbraw/zinc/13/57/94/204135794.db2.gz JNKDHTZOBRRUDO-UHFFFAOYSA-N 0 0 370.356 3.713 50 30 FHEARN CCCCCn1c(Sc2nc3ccccc3c(C)c2C#N)n[nH]c1=O ZINC000004366470 204135844 /nfs/dbraw/zinc/13/58/44/204135844.db2.gz SCYLYGMWHITUPJ-UHFFFAOYSA-N 0 0 353.451 3.641 50 30 FHEARN C[C@@]1(C(=O)Nc2sc3c(c2C#N)CCCC3)Cc2ccccc2C(=O)O1 ZINC000004384777 204137325 /nfs/dbraw/zinc/13/73/25/204137325.db2.gz VJPZHXGXEVTXKQ-FQEVSTJZSA-N 0 0 366.442 3.609 50 30 FHEARN C[C@]1(C(=O)Nc2sc3c(c2C#N)CCCC3)Cc2ccccc2C(=O)O1 ZINC000004384776 204137490 /nfs/dbraw/zinc/13/74/90/204137490.db2.gz VJPZHXGXEVTXKQ-HXUWFJFHSA-N 0 0 366.442 3.609 50 30 FHEARN Cc1nc2n(n1)[C@H](c1ccc(F)cc1)C1C(=O)C[C@@H](c3ccco3)CC1=N2 ZINC000004488229 204141582 /nfs/dbraw/zinc/14/15/82/204141582.db2.gz NMEDTCYMUVXYCB-ORAYPTAESA-N 0 0 364.380 3.734 50 30 FHEARN CCC(=O)C1=C(c2ccc(C)c(C)c2)N(C(=O)CC)n2c(C)nnc2S1 ZINC000004518230 204142814 /nfs/dbraw/zinc/14/28/14/204142814.db2.gz IAKWVXAGYRWAEH-UHFFFAOYSA-N 0 0 370.478 3.532 50 30 FHEARN CCN(CC)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000004505547 204143451 /nfs/dbraw/zinc/14/34/51/204143451.db2.gz KRRKWZZTAIQQGT-HNNXBMFYSA-N 0 0 365.433 3.588 50 30 FHEARN CCSc1nnc(S[C@H](C)C(=O)Nc2ccc(C#N)cc2)s1 ZINC000005450478 204209044 /nfs/dbraw/zinc/20/90/44/204209044.db2.gz NRSQIYGQLBRJJB-SECBINFHSA-N 0 0 350.494 3.641 50 30 FHEARN Cc1cc2oc(=O)cc(COC(=O)c3ccc(C#N)cc3)c2cc1Cl ZINC000005507074 204212066 /nfs/dbraw/zinc/21/20/66/204212066.db2.gz TZPPDCYYKVQPQZ-UHFFFAOYSA-N 0 0 353.761 3.984 50 30 FHEARN COC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(C)=O ZINC000005495230 204212481 /nfs/dbraw/zinc/21/24/81/204212481.db2.gz SBZCJRMSSJAZEI-XDHOZWIPSA-N 0 0 364.376 3.824 50 30 FHEARN CCC(NC(=O)Nc1ccccc1C(=O)OC)(C(F)(F)F)C(F)(F)F ZINC000005524356 204213803 /nfs/dbraw/zinc/21/38/03/204213803.db2.gz XRHPNTQSSTWFGT-UHFFFAOYSA-N 0 0 372.265 3.882 50 30 FHEARN O=[N+]([O-])c1cc(C=NNc2nnc3c4ccccc4[nH]c3n2)ccc1Cl ZINC000005604892 204217827 /nfs/dbraw/zinc/21/78/27/204217827.db2.gz VZFSMXBTZUSPKV-QGMBQPNBSA-N 0 0 367.756 3.514 50 30 FHEARN CCOc1ccc2nc(SCC(=O)Nc3nccs3)c(C#N)cc2c1 ZINC000004994011 204183811 /nfs/dbraw/zinc/18/38/11/204183811.db2.gz DDFJKWFVVJEIBP-UHFFFAOYSA-N 0 0 370.459 3.692 50 30 FHEARN Cc1[nH]nc2c1[C@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005124310 204193164 /nfs/dbraw/zinc/19/31/64/204193164.db2.gz YHJPUFVICIRSNV-INIZCTEOSA-N 0 0 352.394 3.827 50 30 FHEARN Cc1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000005646496 204219427 /nfs/dbraw/zinc/21/94/27/204219427.db2.gz HDTQQLALTYIKID-OAQYLSRUSA-N 0 0 373.456 3.997 50 30 FHEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1cccnc1 ZINC000005649616 204219592 /nfs/dbraw/zinc/21/95/92/204219592.db2.gz MXZDWHJOWZQQHS-QGMBQPNBSA-N 0 0 350.234 3.818 50 30 FHEARN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc2c(s1)CCCC2 ZINC000005307715 204202512 /nfs/dbraw/zinc/20/25/12/204202512.db2.gz GYPDOXQXWMKVFQ-UHFFFAOYSA-N 0 0 374.849 3.947 50 30 FHEARN CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(Br)c2)NC(=O)N1 ZINC000005782895 204224446 /nfs/dbraw/zinc/22/44/46/204224446.db2.gz DSWLEPDAYNNGIR-INIZCTEOSA-N 0 0 371.234 3.960 50 30 FHEARN CCc1nnc(NC(=O)c2sc3nc4c(cc3c2N)CCCC4)s1 ZINC000005892943 204229402 /nfs/dbraw/zinc/22/94/02/204229402.db2.gz GIMPICQLQBOXIP-UHFFFAOYSA-N 0 0 359.480 3.808 50 30 FHEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(Cl)cc2)cc1 ZINC000005921688 204231427 /nfs/dbraw/zinc/23/14/27/204231427.db2.gz QXYLFNQJVNBURI-INIZCTEOSA-N 0 0 357.793 3.605 50 30 FHEARN C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cccc(C#N)c1 ZINC000006063816 204236024 /nfs/dbraw/zinc/23/60/24/204236024.db2.gz FRMLQHWYAUMUMJ-KCXBLQSVSA-N 0 0 352.434 3.645 50 30 FHEARN N#Cc1ccccc1NC(=O)CSc1ncnc2sc3c(c21)CCC3 ZINC000006112811 204237151 /nfs/dbraw/zinc/23/71/51/204237151.db2.gz KYKWVWOQPAWYDS-UHFFFAOYSA-N 0 0 366.471 3.782 50 30 FHEARN N#CC1(NC(=O)CSc2ncnc3sc4c(c32)CCCC4)CCCC1 ZINC000006112207 204237430 /nfs/dbraw/zinc/23/74/30/204237430.db2.gz OUZHALARSSYQQM-UHFFFAOYSA-N 0 0 372.519 3.615 50 30 FHEARN C[C@@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)Nc1ccccc1C#N ZINC000006558500 204253490 /nfs/dbraw/zinc/25/34/90/204253490.db2.gz VTLUHIWPIJZFHH-RDRICISKSA-N 0 0 371.396 3.690 50 30 FHEARN N#Cc1c2c(sc1NC(=O)CSc1ccc3c(c1)OCCO3)CCC2 ZINC000006602482 204256394 /nfs/dbraw/zinc/25/63/94/204256394.db2.gz IWALMBATCXNOSI-UHFFFAOYSA-N 0 0 372.471 3.610 50 30 FHEARN Cc1cc(NC(=O)CSc2ncccc2C#N)ccc1Br ZINC000007051449 204287461 /nfs/dbraw/zinc/28/74/61/204287461.db2.gz KLDDHCCUPGZNSG-UHFFFAOYSA-N 0 0 362.252 3.755 50 30 FHEARN C[C@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1sccc1C#N ZINC000007364200 204295432 /nfs/dbraw/zinc/29/54/32/204295432.db2.gz XEBQJLAQSYHHMR-NSHDSACASA-N 0 0 369.475 3.535 50 30 FHEARN Cn1c2ccc(Br)cc2c2nnc(SCCCC#N)nc21 ZINC000007468592 204297724 /nfs/dbraw/zinc/29/77/24/204297724.db2.gz ZMANMNTYIWDWMF-UHFFFAOYSA-N 0 0 362.256 3.675 50 30 FHEARN Cc1cc(C)c(C#N)c(SCC(=O)NCCc2c[nH]c3ccccc23)n1 ZINC000006820646 204275209 /nfs/dbraw/zinc/27/52/09/204275209.db2.gz GLUSLCYKFIKPCH-UHFFFAOYSA-N 0 0 364.474 3.502 50 30 FHEARN C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000006823845 204275303 /nfs/dbraw/zinc/27/53/03/204275303.db2.gz ZJQDOWLBAHNSCT-SFHVURJKSA-N 0 0 374.227 3.832 50 30 FHEARN O=[N+]([O-])c1ccc(N=NCc2ccc(C(F)(F)F)cc2)c([N+](=O)[O-])c1 ZINC000006882921 204279371 /nfs/dbraw/zinc/27/93/71/204279371.db2.gz ASHPZTXLLGDLSA-QGMBQPNBSA-N 0 0 354.244 3.968 50 30 FHEARN Cc1ccc([C@@H](NS(=O)(=O)c2ccc(C#N)cc2)c2cccs2)cc1 ZINC000007702503 204303293 /nfs/dbraw/zinc/30/32/93/204303293.db2.gz OFURCKVDXOXEHT-LJQANCHMSA-N 0 0 368.483 3.996 50 30 FHEARN Cc1c2cc(F)ccc2oc1C(=O)O[C@@H](C)C(=O)Nc1sccc1C#N ZINC000007831528 204308546 /nfs/dbraw/zinc/30/85/46/204308546.db2.gz PDXYQDSJBCALJH-JTQLQIEISA-N 0 0 372.377 3.998 50 30 FHEARN C[C@H]1CCc2c(C#N)c(NC(=O)C[C@H]3OC(=O)c4ccccc43)sc2C1 ZINC000007989209 204313925 /nfs/dbraw/zinc/31/39/25/204313925.db2.gz LRLCUUDESWFWKD-MEDUHNTESA-N 0 0 366.442 3.985 50 30 FHEARN N#Cc1c2c(sc1NC(=O)CSc1ncc3ccccn31)CCCC2 ZINC000008709821 204339656 /nfs/dbraw/zinc/33/96/56/204339656.db2.gz QCADHFBVEMGEQB-UHFFFAOYSA-N 0 0 368.487 3.877 50 30 FHEARN N#Cc1ccc(OCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000008071637 204316683 /nfs/dbraw/zinc/31/66/83/204316683.db2.gz FUXTVUGLSRWYTN-KRWDZBQOSA-N 0 0 363.442 3.910 50 30 FHEARN C[C@H](c1nc2ccccc2s1)N(C)C(=O)COc1ccc(C#N)cc1 ZINC000008291233 204324980 /nfs/dbraw/zinc/32/49/80/204324980.db2.gz XFUNNJHVJKAYHH-CYBMUJFWSA-N 0 0 351.431 3.766 50 30 FHEARN CCCCCCCCn1c(S[C@@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C ZINC000008396861 204329721 /nfs/dbraw/zinc/32/97/21/204329721.db2.gz UGPCEBSNSCYUST-ZDUSSCGKSA-N 0 0 366.531 3.674 50 30 FHEARN CCCCCCCCn1c(S[C@H](C)CC)nc2c1c(=O)[nH]c(=O)n2C ZINC000008396865 204330270 /nfs/dbraw/zinc/33/02/70/204330270.db2.gz UGPCEBSNSCYUST-CYBMUJFWSA-N 0 0 366.531 3.674 50 30 FHEARN N=C(NOC(=O)c1ccc(Cl)s1)c1cccc(Br)c1 ZINC000008986202 204350506 /nfs/dbraw/zinc/35/05/06/204350506.db2.gz AZXPVXUMIQNTCS-UHFFFAOYSA-N 0 0 359.632 3.641 50 30 FHEARN NC(=O)[C@@]1(c2nc(-c3ccccc3)cs2)O[C@H]1c1ccccc1Cl ZINC000009419308 204367361 /nfs/dbraw/zinc/36/73/61/204367361.db2.gz TUJHUBPSGVETML-YJBOKZPZSA-N 0 0 356.834 3.916 50 30 FHEARN Cc1cc(C)c(NC(=O)CN(C)Cc2cn3ccccc3c2C#N)c(C)c1 ZINC000008744645 204342093 /nfs/dbraw/zinc/34/20/93/204342093.db2.gz VSJJGTQIAZMWJW-UHFFFAOYSA-N 0 0 360.461 3.807 50 30 FHEARN N#Cc1cccc(NC(=O)CCC(=O)c2ccc(Br)cc2)c1 ZINC000011371595 204407397 /nfs/dbraw/zinc/40/73/97/204407397.db2.gz RRZDOBMBHHJNGQ-UHFFFAOYSA-N 0 0 357.207 3.922 50 30 FHEARN N#Cc1ccc(F)c(COC(=O)C(O)(c2ccccc2)c2ccccc2)c1 ZINC000010539345 204398064 /nfs/dbraw/zinc/39/80/64/204398064.db2.gz MPLOHSLDQKJRDU-UHFFFAOYSA-N 0 0 361.372 3.677 50 30 FHEARN CC(=O)[C@H](C(=O)Nc1ccc(F)cc1)[C@@H](c1ccc(F)cc1)C(C#N)C#N ZINC000012379252 204457683 /nfs/dbraw/zinc/45/76/83/204457683.db2.gz QMPVYGCTGXENIZ-OALUTQOASA-N 0 0 367.355 3.556 50 30 FHEARN COCCNc1oc(-c2ccc(COc3cccc(C)c3)o2)nc1C#N ZINC000012419006 204460871 /nfs/dbraw/zinc/46/08/71/204460871.db2.gz OLFQHQMWABBZJM-UHFFFAOYSA-N 0 0 353.378 3.752 50 30 FHEARN Cc1nn(-c2ccccn2)c2c1[C@H](c1ccccn1)C1=C(CCCC1=O)N2 ZINC000013123206 204521900 /nfs/dbraw/zinc/52/19/00/204521900.db2.gz JYLGEDWTRUFIDN-FQEVSTJZSA-N 0 0 357.417 3.535 50 30 FHEARN CCc1ccc(S(=O)(=O)N/N=C(/C)c2ccc3ccccc3c2O)cc1 ZINC000017075576 204648952 /nfs/dbraw/zinc/64/89/52/204648952.db2.gz SALRPMNEIMIOHY-STZFKDTASA-N 0 0 368.458 3.810 50 30 FHEARN COc1cccc([C@@H]2CC(=O)Nc3sc4c(nc(N)c(C#N)c4C)c32)c1 ZINC000020029523 204713765 /nfs/dbraw/zinc/71/37/65/204713765.db2.gz XQWXNFLYYDSKJD-LBPRGKRZSA-N 0 0 364.430 3.541 50 30 FHEARN N#Cc1ccc(Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)cc1 ZINC000021660735 204757012 /nfs/dbraw/zinc/75/70/12/204757012.db2.gz JIQNPNMMSUMGDC-UHFFFAOYSA-N 0 0 355.319 3.849 50 30 FHEARN O=C1CCCC2=C1C(c1ccccc1OC(F)F)C1=C(CCCC1=O)N2 ZINC000025326286 204833851 /nfs/dbraw/zinc/83/38/51/204833851.db2.gz LGVBBKHCILTQTP-UHFFFAOYSA-N 0 0 359.372 3.989 50 30 FHEARN CCN(C(C)=O)c1nc(/C=C2\CCOc3c(C)cccc3C2=O)cs1 ZINC000029217883 204896659 /nfs/dbraw/zinc/89/66/59/204896659.db2.gz SFHUGKUJABQOJO-GXDHUFHOSA-N 0 0 356.447 3.873 50 30 FHEARN Cc1noc2nc(C3CC3)cc(C(=O)OCc3ccc(C#N)cc3F)c12 ZINC000032869370 204942168 /nfs/dbraw/zinc/94/21/68/204942168.db2.gz KHJQRDHTHGWJNS-UHFFFAOYSA-N 0 0 351.337 3.776 50 30 FHEARN S=C(N/N=C/c1ccc(Cl)cc1)N/N=C\c1ccc(Cl)cc1 ZINC000033381824 204968308 /nfs/dbraw/zinc/96/83/08/204968308.db2.gz IMPWGGGRTFHXJR-MXYCIJPUSA-N 0 0 351.262 3.826 50 30 FHEARN COc1cc(/C=C\C(=O)c2ccc(C#N)cc2)cc(Br)c1O ZINC000034716136 204979295 /nfs/dbraw/zinc/97/92/95/204979295.db2.gz QBSCWFYYXPRNHD-DAXSKMNVSA-N 0 0 358.191 3.931 50 30 FHEARN COC(=O)C1=C(Nc2cccc(C)c2)SC(=Cc2cccc(O)c2)C1=O ZINC000036257329 205009134 /nfs/dbraw/zinc/00/91/34/205009134.db2.gz KFHNVZLLTLTOLY-LFIBNONCSA-N 0 0 367.426 3.854 50 30 FHEARN N#Cc1nc(-c2ccc(COc3ccccc3)o2)oc1NC[C@H]1CCCO1 ZINC000039404126 205045505 /nfs/dbraw/zinc/04/55/05/205045505.db2.gz OGMQYHLJKTUTPD-OAHLLOKOSA-N 0 0 365.389 3.976 50 30 FHEARN C[C@H]1C[C@@H]1c1ccc(CN(C(=O)COc2cccc(C#N)c2)C2CC2)o1 ZINC000045034486 205116446 /nfs/dbraw/zinc/11/64/46/205116446.db2.gz INRWUECPWDQWBI-LIRRHRJNSA-N 0 0 350.418 3.845 50 30 FHEARN CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc(C(=O)NCC)cc1 ZINC000047562361 205148578 /nfs/dbraw/zinc/14/85/78/205148578.db2.gz XXRFZUKMDRSMAK-UHFFFAOYSA-N 0 0 364.449 3.752 50 30 FHEARN CC(C)n1ncc2cc(NC(=O)CSCc3ccc(C#N)cc3)cnc21 ZINC000049620714 205174938 /nfs/dbraw/zinc/17/49/38/205174938.db2.gz CDYLJDILKWKBFU-UHFFFAOYSA-N 0 0 365.462 3.756 50 30 FHEARN O=C(/C=C\c1ccc(F)c(Br)c1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000050647663 205178900 /nfs/dbraw/zinc/17/89/00/205178900.db2.gz GYUXUDUAOBXYJL-KXFIGUGUSA-N 0 0 361.170 3.654 50 30 FHEARN COc1cccc(/C=C\C(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1OC(C)C ZINC000050665975 205179299 /nfs/dbraw/zinc/17/92/99/205179299.db2.gz UYBXXLWBNIKWPA-NTMALXAHSA-N 0 0 352.390 3.548 50 30 FHEARN COc1ccccc1-c1nc(C#N)c(N2CCN(Cc3ccccc3)CC2)o1 ZINC000057315466 205236620 /nfs/dbraw/zinc/23/66/20/205236620.db2.gz WFRSWIJGHDRZRF-UHFFFAOYSA-N 0 0 374.444 3.544 50 30 FHEARN N#Cc1c(NC(=O)CN2CCc3sccc3C2)sc2c1CCCC2 ZINC000057398965 205238690 /nfs/dbraw/zinc/23/86/90/205238690.db2.gz VAJAPRRMXHOMFF-UHFFFAOYSA-N 0 0 357.504 3.557 50 30 FHEARN COc1ccc2c(c1)C(=O)/C(=C\c1ccc(OC(F)F)c(OC)c1)CO2 ZINC000058197922 205258967 /nfs/dbraw/zinc/25/89/67/205258967.db2.gz OJAOMXFCIGNBAT-GHXNOFRVSA-N 0 0 362.328 3.964 50 30 FHEARN O=C(/C=C\c1cc(Cl)c2c(c1)OCCO2)OCC#Cc1ccccc1 ZINC000222140040 205285704 /nfs/dbraw/zinc/28/57/04/205285704.db2.gz QSMFRJKGOQNYAI-HJWRWDBZSA-N 0 0 354.789 3.719 50 30 FHEARN COc1ccc(NC(=O)[C@@H](C#N)Cc2c[nH]c3cccc(Cl)c23)cn1 ZINC000061720509 205287663 /nfs/dbraw/zinc/28/76/63/205287663.db2.gz ZIJGLOWYWFJCDV-LLVKDONJSA-N 0 0 354.797 3.546 50 30 FHEARN Cc1nc2cc(F)cc(C(=O)OCc3cn4ccccc4c3C#N)c2nc1C ZINC000062466445 205291314 /nfs/dbraw/zinc/29/13/14/205291314.db2.gz WUGVKICXBHOZDY-UHFFFAOYSA-N 0 0 374.375 3.867 50 30 FHEARN N#Cc1c(COC(=O)c2cc(N)cc(C(F)(F)F)c2)cn2ccccc12 ZINC000064726759 205303146 /nfs/dbraw/zinc/30/31/46/205303146.db2.gz ZYHSZRKRAHHDPP-UHFFFAOYSA-N 0 0 359.307 3.769 50 30 FHEARN C=CCOc1ccc2c(c1)c(S(=O)(=O)c1ccc(C)cc1)cn2COC ZINC000003199876 205277389 /nfs/dbraw/zinc/27/73/89/205277389.db2.gz NOODYJSWXKATKD-UHFFFAOYSA-N 0 0 371.458 3.951 50 30 FHEARN Cc1cccc(CC(=O)N2CCCn3cc(-c4cccc(C#N)c4)nc32)c1 ZINC000065259591 205331054 /nfs/dbraw/zinc/33/10/54/205331054.db2.gz TUKANGPSWQRCCV-UHFFFAOYSA-N 0 0 356.429 3.710 50 30 FHEARN N#Cc1ccc(C(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)cc1 ZINC000064818176 205305933 /nfs/dbraw/zinc/30/59/33/205305933.db2.gz MNSWRFBYQUXKOZ-UHFFFAOYSA-N 0 0 358.401 3.628 50 30 FHEARN N#Cc1ccccc1CN1c2ccccc2[C@@](O)(c2cccc(Cl)c2)C1=O ZINC000065155489 205320951 /nfs/dbraw/zinc/32/09/51/205320951.db2.gz SWTUKFSTBJSRJI-QFIPXVFZSA-N 0 0 374.827 3.994 50 30 FHEARN Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(C(=O)c3ccc(C#N)nc3)C2)cc1 ZINC000067433318 205371558 /nfs/dbraw/zinc/37/15/58/205371558.db2.gz BEKDYIVQWPVTDG-SFHVURJKSA-N 0 0 371.444 3.672 50 30 FHEARN COc1ccc(-c2cc(-c3cc(O)ccc3OC)c(C#N)c(N)n2)cc1F ZINC000067856274 205397981 /nfs/dbraw/zinc/39/79/81/205397981.db2.gz FNQAQWLSXPERAQ-UHFFFAOYSA-N 0 0 365.364 3.731 50 30 FHEARN COc1ccc(-c2nc(CN3CCC(C#N)CC3)c(C)o2)c(OC)c1C ZINC000067869348 205398863 /nfs/dbraw/zinc/39/88/63/205398863.db2.gz OVLVCGLPPSWANY-UHFFFAOYSA-N 0 0 355.438 3.711 50 30 FHEARN COc1ccc(-c2n[nH]cc2-c2cc(-c3ccc[nH]3)nc(N)c2C#N)cc1 ZINC000071762937 205444639 /nfs/dbraw/zinc/44/46/39/205444639.db2.gz QIYVEXPKEPZDNC-UHFFFAOYSA-N 0 0 356.389 3.596 50 30 FHEARN COc1ccc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)cc1O ZINC000018196784 220228127 /nfs/dbraw/zinc/22/81/27/220228127.db2.gz RFIRNUKMUUASJU-HXUWFJFHSA-N 0 0 365.385 3.694 50 30 FHEARN COc1cc(/C=N/c2ccc(I)cc2)ccc1O ZINC000100003680 205936374 /nfs/dbraw/zinc/93/63/74/205936374.db2.gz BDUZFRIHHIEADR-CXUHLZMHSA-N 0 0 353.159 3.756 50 30 FHEARN N#Cc1c(=N)n2c(cc1-c1ccc(F)cc1)-c1cc3c(cc1CC2)OCO3 ZINC000101358508 205958740 /nfs/dbraw/zinc/95/87/40/205958740.db2.gz QNPFBQNOKQHKSA-UHFFFAOYSA-N 0 0 359.360 3.597 50 30 FHEARN C=CCNC(=O)[C@@H]1CC[C@@H](c2cccc(C)c2)N(C(=O)C2CCCC2)C1 ZINC000037546078 206042020 /nfs/dbraw/zinc/04/20/20/206042020.db2.gz BALCCLSDOKFIJD-UXHICEINSA-N 0 0 354.494 3.767 50 30 FHEARN Cc1ccc(-c2nc3n(n2)[C@@H](c2cccnc2)C2C(=O)CCCC2=N3)cc1 ZINC000004189665 206171204 /nfs/dbraw/zinc/17/12/04/206171204.db2.gz KRXRSEFQAOJBLC-IBGZPJMESA-N 0 0 357.417 3.671 50 30 FHEARN N#Cc1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)o2)cc1 ZINC000004479516 206177882 /nfs/dbraw/zinc/17/78/82/206177882.db2.gz MWEKFIOBJYIWNQ-UHFFFAOYSA-N 0 0 369.178 3.623 50 30 FHEARN COc1ccc(/C=N/N=C2/S[C@H](C)C(=O)N2Cc2ccccc2C)cc1 ZINC000004909971 206185279 /nfs/dbraw/zinc/18/52/79/206185279.db2.gz LNPXOWKEEQTJHE-GHJLDSRNSA-N 0 0 367.474 3.858 50 30 FHEARN CC[C@@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(OC)cc2)C1=O ZINC000004956558 206185919 /nfs/dbraw/zinc/18/59/19/206185919.db2.gz XSJKQGKTYSCLDB-VZZUUUIUSA-N 0 0 367.474 3.939 50 30 FHEARN O=c1[nH]ncc(NN=Cc2c(Cl)ccc(Cl)c2Cl)c1Cl ZINC000005009445 206187904 /nfs/dbraw/zinc/18/79/04/206187904.db2.gz AHRKCMRXUUHPFV-XFQLMFQHSA-N 0 0 352.008 3.830 50 30 FHEARN CC(C)(O)C#Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000005047911 206188261 /nfs/dbraw/zinc/18/82/61/206188261.db2.gz MOMNOKLIMZXVOC-UHFFFAOYSA-N 0 0 361.485 3.904 50 30 FHEARN COc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccccc3)CC2=Nc2ncnn21 ZINC000005306480 206194137 /nfs/dbraw/zinc/19/41/37/206194137.db2.gz OCYJNRBKNOXALJ-YCRPNKLZSA-N 0 0 372.428 3.702 50 30 FHEARN Cc1nn(CCSc2cc(Cl)ccc2Cl)c(=O)c(C#N)c1C ZINC000007062710 206206534 /nfs/dbraw/zinc/20/65/34/206206534.db2.gz CGGOVRNKVBQMJS-UHFFFAOYSA-N 0 0 354.262 3.831 50 30 FHEARN O=C1C[C@@H](c2ccco2)CC2=Nc3ncnn3[C@H](c3cccc(Cl)c3)C12 ZINC000005425175 206197457 /nfs/dbraw/zinc/19/74/57/206197457.db2.gz UOFOKSALTPLFTD-KPZWWZAWSA-N 0 0 366.808 3.940 50 30 FHEARN N#Cc1ccsc1NC(=O)COC(=O)C1(c2ccc(F)cc2)CCCC1 ZINC000006062794 206199821 /nfs/dbraw/zinc/19/98/21/206199821.db2.gz XFBFQBXBSWAHKF-UHFFFAOYSA-N 0 0 372.421 3.753 50 30 FHEARN CCOc1cc(CO)cc(Br)c1OCc1ccccc1C#N ZINC000001119257 206226814 /nfs/dbraw/zinc/22/68/14/206226814.db2.gz IUHAZZQKZWHOLY-UHFFFAOYSA-N 0 0 362.223 3.791 50 30 FHEARN C[C@H]1CCc2c(C(=O)OCC(=O)Nc3ccc(C#N)cc3)csc2C1 ZINC000008669600 206217621 /nfs/dbraw/zinc/21/76/21/206217621.db2.gz GDRVPWORNLIBJD-LBPRGKRZSA-N 0 0 354.431 3.540 50 30 FHEARN N#Cc1cccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c1 ZINC000003420097 206234737 /nfs/dbraw/zinc/23/47/37/206234737.db2.gz GKISYASHRYZALB-UHFFFAOYSA-N 0 0 364.426 3.938 50 30 FHEARN CCn1c(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)nc2ccccc21 ZINC000010651849 206280750 /nfs/dbraw/zinc/28/07/50/206280750.db2.gz VSVRFBZDJUHEGE-UHFFFAOYSA-N 0 0 359.389 3.872 50 30 FHEARN O=C1ON=C(c2ccc(Br)cc2)/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000012428869 206290688 /nfs/dbraw/zinc/29/06/88/206290688.db2.gz JVYWSMSDPZECQQ-ZROIWOOFSA-N 0 0 373.162 3.702 50 30 FHEARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@@H]2c2cccc3cccnc32)C1 ZINC000012389781 206290784 /nfs/dbraw/zinc/29/07/84/206290784.db2.gz FLLBJRLLAYBILG-QGZVFWFLSA-N 0 0 361.405 3.840 50 30 FHEARN CCOc1ccc(C=CC(=O)C2=CN(C)C(=O)N[C@@H]2c2ccccc2)cc1 ZINC000012296364 206289942 /nfs/dbraw/zinc/28/99/42/206289942.db2.gz BSNJBJABIOPHIL-QGFLDLQWSA-N 0 0 362.429 3.948 50 30 FHEARN CC(=O)Nc1ccc([C@@H]2C3=C(CCCC3=O)O[C@H]3CCCC(=O)[C@@H]23)cc1 ZINC000012379615 206290242 /nfs/dbraw/zinc/29/02/42/206290242.db2.gz FSGGLVGJQVCFIE-YSIASYRMSA-N 0 0 353.418 3.504 50 30 FHEARN N#Cc1ccc(-n2nccc2NC(=O)CCc2cc(F)ccc2F)cc1 ZINC000112830455 206292048 /nfs/dbraw/zinc/29/20/48/206292048.db2.gz HJAAMAKULCXYDD-UHFFFAOYSA-N 0 0 352.344 3.593 50 30 FHEARN N#Cc1cccc(C(=O)NCc2ccc([C@@H](O)c3ccsc3)s2)c1 ZINC000207964462 206303616 /nfs/dbraw/zinc/30/36/16/206303616.db2.gz ZHHKLJQIXVFYJU-KRWDZBQOSA-N 0 0 354.456 3.693 50 30 FHEARN CC(=O)[C@@H]1[C@H](c2ccccc2)C(C#N)(C#N)[C@H](c2ccccc2)C[C@]1(C)O ZINC000107173226 206311908 /nfs/dbraw/zinc/31/19/08/206311908.db2.gz KKHGJDYWHZQWDQ-LRSLUSHPSA-N 0 0 358.441 3.947 50 30 FHEARN N#Cc1ccccc1S(=O)(=O)Oc1ccc(C2SCCS2)cc1 ZINC000016085663 206316967 /nfs/dbraw/zinc/31/69/67/206316967.db2.gz WYUBEIUQKLQDEJ-UHFFFAOYSA-N 0 0 363.485 3.805 50 30 FHEARN COc1ccccc1/C=N/N=C1/S[C@@H](C)C(=O)N1Cc1ccccc1 ZINC000016956808 206321567 /nfs/dbraw/zinc/32/15/67/206321567.db2.gz PPEZDBPTJBHWJX-RDYJYZNMSA-N 0 0 353.447 3.549 50 30 FHEARN Cc1ccc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)C[C@@H](c2ccco2)C3)o1 ZINC000018200460 206324500 /nfs/dbraw/zinc/32/45/00/206324500.db2.gz UWXSBQZRZHAZTC-QFYYESIMSA-N 0 0 351.362 3.568 50 30 FHEARN COc1ccc(/C=N\N=C2/NC(=O)C(Cc3ccccc3Cl)S2)cc1 ZINC000013590111 206304558 /nfs/dbraw/zinc/30/45/58/206304558.db2.gz LPHNDZLEDLCRMT-IWEBCOIVSA-N 0 0 373.865 3.513 50 30 FHEARN COc1ccc(/C=N\N=C2/NC(=O)C(Cc3ccccc3Cl)S2)cc1 ZINC000013590112 206304721 /nfs/dbraw/zinc/30/47/21/206304721.db2.gz LPHNDZLEDLCRMT-VBNMEBLOSA-N 0 0 373.865 3.513 50 30 FHEARN Cc1csc(C2=C(N)N(c3ccc(Cl)c(C(F)(F)F)c3)CC2=O)n1 ZINC000013724414 206306301 /nfs/dbraw/zinc/30/63/01/206306301.db2.gz BVBBXEXULUFSHB-UHFFFAOYSA-N 0 0 373.787 3.840 50 30 FHEARN N#Cc1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c1 ZINC000022277345 220380904 /nfs/dbraw/zinc/38/09/04/220380904.db2.gz XMPWZXFLIGIOGM-NRFANRHFSA-N 0 0 362.454 3.821 50 30 FHEARN Cc1ccc(N2C(=O)C[C@H](C(=O)N[C@@H](C)CC#N)[C@H]2c2cccs2)cc1 ZINC000058421125 221118546 /nfs/dbraw/zinc/11/85/46/221118546.db2.gz WERIOUVQEWNHMY-QOKNQOGYSA-N 0 0 367.474 3.569 50 30 FHEARN CSc1cccc(CN2CC(=O)N(c3ccccc3C#N)C[C@H]2C)c1 ZINC000082109609 132195723 /nfs/dbraw/zinc/19/57/23/132195723.db2.gz PNPUPEWDFLXTDW-OAHLLOKOSA-N 0 0 351.475 3.517 50 30 FHEARN O=C1c2ccccc2C/C1=C/c1cc2ccccc2nc1N1CCOCC1 ZINC000096766631 132225778 /nfs/dbraw/zinc/22/57/78/132225778.db2.gz JYSPTYXZAWQHOT-SDXDJHTJSA-N 0 0 356.425 3.894 50 30 FHEARN C=CCN1CCN(C(=O)Nc2ccccc2Br)c2cccnc21 ZINC000064929537 132305454 /nfs/dbraw/zinc/30/54/54/132305454.db2.gz DLWLVRNXRQDVES-UHFFFAOYSA-N 0 0 373.254 3.889 50 30 FHEARN COc1ccccc1N1CCN(CC#C[C@]2(C)CCCC(C)(C)O2)CC1 ZINC000019933970 132373753 /nfs/dbraw/zinc/37/37/53/132373753.db2.gz FSPAZPKCGQNDDV-QFIPXVFZSA-N 0 0 356.510 3.558 50 30 FHEARN N#CCN1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC000058191851 136130723 /nfs/dbraw/zinc/13/07/23/136130723.db2.gz DZYXDJLYTMRWJF-UHFFFAOYSA-N 0 0 369.881 3.657 50 30 FHEARN CN(CCC#N)C(=O)CSc1ncnc2sc(-c3ccccc3)cc21 ZINC000002618046 263325877 /nfs/dbraw/zinc/32/58/77/263325877.db2.gz DCVWMSUSXZXKIR-UHFFFAOYSA-N 0 0 368.487 3.822 50 30 FHEARN CCCCCCCNC(=O)CCn1nc(-c2ccc(C)cc2)ccc1=O ZINC000002941005 263327479 /nfs/dbraw/zinc/32/74/79/263327479.db2.gz ICJOXXDLJXHZGO-UHFFFAOYSA-N 0 0 355.482 3.695 50 30 FHEARN C=CCn1c(SCCc2ccc(OC)cc2)nc2ccccc2c1=O ZINC000003545558 263330042 /nfs/dbraw/zinc/33/00/42/263330042.db2.gz CXHWRZLKUZYXGU-UHFFFAOYSA-N 0 0 352.459 3.926 50 30 FHEARN COc1cc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C ZINC000004502174 263333808 /nfs/dbraw/zinc/33/38/08/263333808.db2.gz IOKZASXSTAHGFI-CQSZACIVSA-N 0 0 357.450 3.729 50 30 FHEARN C=CCn1ccc2c(OCC(=O)Nc3ccc(C)cc3C)cccc2c1=O ZINC000004584215 263334476 /nfs/dbraw/zinc/33/44/76/263334476.db2.gz AMNKCFRUFMOUKA-UHFFFAOYSA-N 0 0 362.429 3.822 50 30 FHEARN C=CCN(C(=O)Cn1ncc2c1-c1cc(C)ccc1OC2)c1ccccc1 ZINC000005083317 263338787 /nfs/dbraw/zinc/33/87/87/263338787.db2.gz VRSGNELQHHXBEA-UHFFFAOYSA-N 0 0 359.429 3.970 50 30 FHEARN C=CCn1c(C)cc(C(=O)COC(=O)Cc2c[nH]c3ccccc23)c1C ZINC000005399343 263341218 /nfs/dbraw/zinc/34/12/18/263341218.db2.gz ZGEOXNSJCMATLP-UHFFFAOYSA-N 0 0 350.418 3.741 50 30 FHEARN C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1cccnc1 ZINC000006729773 263346717 /nfs/dbraw/zinc/34/67/17/263346717.db2.gz MCWDIMMZQIAXIK-UHFFFAOYSA-N 0 0 365.462 3.565 50 30 FHEARN C[C@@H](Sc1ccc(Cl)cc1)C(=O)ONC(=N)c1ccc(F)cc1 ZINC000008986417 263358106 /nfs/dbraw/zinc/35/81/06/263358106.db2.gz AZFVUDNJYOJGNN-SNVBAGLBSA-N 0 0 352.818 3.823 50 30 FHEARN Cc1nnc(SCC(=O)c2cn(CCC#N)c3ccccc23)n1C1CC1 ZINC000009216806 263360291 /nfs/dbraw/zinc/36/02/91/263360291.db2.gz BUKRHXUSDSRNLI-UHFFFAOYSA-N 0 0 365.462 3.765 50 30 FHEARN CCNc1nnc(SCC(=O)C=C2N(C)c3ccccc3C2(C)C)s1 ZINC000018662929 263373386 /nfs/dbraw/zinc/37/33/86/263373386.db2.gz HIZYTWIBKMZPIX-XNTDXEJSSA-N 0 0 374.535 3.943 50 30 FHEARN C=CCc1cc(C(=O)NCCOc2ccc(C)cc2)cc(OC)c1OC ZINC000031241173 263390893 /nfs/dbraw/zinc/39/08/93/263390893.db2.gz WOJNUEFCBBXUMX-UHFFFAOYSA-N 0 0 355.434 3.550 50 30 FHEARN Cc1ccc(OCCN(C)CC(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000031559831 263392041 /nfs/dbraw/zinc/39/20/41/263392041.db2.gz JRWNXFPGGHWYBI-UHFFFAOYSA-N 0 0 366.421 3.644 50 30 FHEARN C#CC(CC)(CC)NC(=O)CCCOc1cccc(Br)c1 ZINC000008184267 518238998 /nfs/dbraw/zinc/23/89/98/518238998.db2.gz NXOULZJBARYWSB-UHFFFAOYSA-N 0 0 352.272 3.916 50 30 FHEARN C#CCN(C(=O)c1nn(-c2ccccc2Cl)cc1C)c1nccs1 ZINC000121409310 518253377 /nfs/dbraw/zinc/25/33/77/518253377.db2.gz MMLWDJKZOOPVQD-UHFFFAOYSA-N 0 0 356.838 3.571 50 30 FHEARN C#CCn1c2ccc(Br)cc2s/c1=N\C(=O)C(C)(C)C ZINC000100875324 518341807 /nfs/dbraw/zinc/34/18/07/518341807.db2.gz SGUDPIXCYVWFDW-VKAVYKQESA-N 0 0 351.269 3.572 50 30 FHEARN C/N=C1/S/C(=C\c2ccccc2OCc2cccc(F)c2)C(=O)N1C ZINC000004689481 518570992 /nfs/dbraw/zinc/57/09/92/518570992.db2.gz RPLVEXNKRWOQBT-BBNBJWFKSA-N 0 0 356.422 3.937 50 30 FHEARN C=C(C)COC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000012904081 518608724 /nfs/dbraw/zinc/60/87/24/518608724.db2.gz XJJWDOJFNCJDEG-UHFFFAOYSA-N 0 0 359.447 3.553 50 30 FHEARN C=C(Cl)COC(=O)c1cc(C2CC2)nc2c1c(C)nn2-c1ccccn1 ZINC000064495055 518651314 /nfs/dbraw/zinc/65/13/14/518651314.db2.gz PWRCFDWLQKJEIZ-UHFFFAOYSA-N 0 0 368.824 3.911 50 30 FHEARN C=C/C=C/CC1=C(C)[C@H](OC(=O)[C@@H]2[C@H](/C=C(\C)C(=O)OC)C2(C)C)CC1=O ZINC000033844942 518655810 /nfs/dbraw/zinc/65/58/10/518655810.db2.gz VJFUPGQZSXIULQ-DMMMAJPFSA-N 0 0 372.461 3.711 50 30 FHEARN C=CCC(C(=O)N[C@@H](C)c1ccccc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000002250534 518685973 /nfs/dbraw/zinc/68/59/73/518685973.db2.gz NLZCBGJMOFLKPE-IRXDYDNUSA-N 0 0 350.462 3.934 50 30 FHEARN C=CCN(CC#Cc1ccccc1)C(=O)CC(=O)Nc1cccc(C)c1C ZINC000055358011 518744333 /nfs/dbraw/zinc/74/43/33/518744333.db2.gz YSBQLHUFLSQXSG-UHFFFAOYSA-N 0 0 360.457 3.698 50 30 FHEARN C=CCN(CC#Cc1ccccc1)C(=O)Cc1csc(SCC)n1 ZINC000055414077 518744644 /nfs/dbraw/zinc/74/46/44/518744644.db2.gz SUODGLUGXJKSSH-UHFFFAOYSA-N 0 0 356.516 3.864 50 30 FHEARN C=CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1COc2c(cccc2OC)C1 ZINC000055415004 518782940 /nfs/dbraw/zinc/78/29/40/518782940.db2.gz KSQFHMTWVKIVJA-KRWDZBQOSA-N 0 0 355.409 3.600 50 30 FHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccc(C)cc1 ZINC000007721030 518799443 /nfs/dbraw/zinc/79/94/43/518799443.db2.gz URMXDDDTPCIRHA-UHFFFAOYSA-N 0 0 363.417 3.639 50 30 FHEARN C=CCNC(=O)Cc1ccc(N(Cc2ccc(C)cc2)C(=O)CC)cc1 ZINC000037556021 518901844 /nfs/dbraw/zinc/90/18/44/518901844.db2.gz IZQLCAFLCBDVEX-UHFFFAOYSA-N 0 0 350.462 3.783 50 30 FHEARN C=CCc1ccc(OCCOCCOc2ccc(C=O)cc2)c(OC)c1 ZINC000002985659 519138253 /nfs/dbraw/zinc/13/82/53/519138253.db2.gz FNSNIQSXQDHYMG-UHFFFAOYSA-N 0 0 356.418 3.711 50 30 FHEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccccn1 ZINC000002336070 519215551 /nfs/dbraw/zinc/21/55/51/519215551.db2.gz IBIOBGZIZACDOT-UHFFFAOYSA-N 0 0 365.462 3.565 50 30 FHEARN C=CCn1c2ccccc2nc1SCC(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000006909041 519268244 /nfs/dbraw/zinc/26/82/44/519268244.db2.gz AJUAVJTVWIIQLG-CYBMUJFWSA-N 0 0 368.487 3.956 50 30 FHEARN CCCN1c2ccccc2[C@@](O)(CC(=O)C=CC=Cc2ccccc2)C1=O ZINC000004554670 519865282 /nfs/dbraw/zinc/86/52/82/519865282.db2.gz KBDLEZYQTZFKRY-PCYTUBISSA-N 0 0 361.441 3.860 50 30 FHEARN CCCCCC(=O)O/N=C(\C)c1ccn(S(=O)(=O)c2ccccc2)c1 ZINC000004300494 519939268 /nfs/dbraw/zinc/93/92/68/519939268.db2.gz KRWPEFQZKLMQNL-XDJHFCHBSA-N 0 0 362.451 3.573 50 30 FHEARN CCCCCCCCCCS(=O)(=O)N/N=C/c1ccc2c(c1)OCO2 ZINC000003092387 520022916 /nfs/dbraw/zinc/02/29/16/520022916.db2.gz VHADANNCHQAOQF-XMHGGMMESA-N 0 0 368.499 3.809 50 30 FHEARN CCCCCCCNC(=O)c1ccc(NC[C@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000102771499 520056215 /nfs/dbraw/zinc/05/62/15/520056215.db2.gz WGRCCJMKEAKFAT-MRXNPFEDSA-N 0 0 363.458 3.886 50 30 FHEARN CCCCCCC[C@]1(C)NC(=O)N(CC(=O)N[C@@H](C)c2ccccc2)C1=O ZINC000103139434 520068801 /nfs/dbraw/zinc/06/88/01/520068801.db2.gz JQNXNXZBSJUPKS-KKSFZXQISA-N 0 0 373.497 3.535 50 30 FHEARN CC(C)n1ncc2cc(C(=O)[C@H](C#N)c3ccc(C(F)(F)F)cn3)cnc21 ZINC000041553572 520080631 /nfs/dbraw/zinc/08/06/31/520080631.db2.gz AIAFTZNKDPZVNE-CQSZACIVSA-N 0 0 373.338 3.916 50 30 FHEARN CCCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O ZINC000004482876 520213824 /nfs/dbraw/zinc/21/38/24/520213824.db2.gz FGSWCJHYZLOIEB-ODLFYWEKSA-N 0 0 368.385 3.643 50 30 biogenic FHEARN CCCCCOc1ccc(CN=Nc2nn3cnnc3c3ccccc32)cc1 ZINC000001812709 520251377 /nfs/dbraw/zinc/25/13/77/520251377.db2.gz FBWCOWKDGGIXKK-HYARGMPZSA-N 0 0 374.448 3.714 50 30 FHEARN CCCSC1=N/C(=C\c2ccc(OC(C)=O)c(OC)c2)C(=O)S1 ZINC000004906890 520546547 /nfs/dbraw/zinc/54/65/47/520546547.db2.gz CPXMFSMUFTVFDB-WQLSENKSSA-N 0 0 351.449 3.734 50 30 FHEARN CCCCSc1nnc(C(F)F)n1/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000036611869 520978667 /nfs/dbraw/zinc/97/86/67/520978667.db2.gz BXVYHDNXJZRWOH-RQZCQDPDSA-N 0 0 355.370 3.898 50 30 FHEARN CCCCn1nc(C)c(/C=C\C(=O)c2ccc3c(c2)NC(=O)CO3)c1Cl ZINC000098054024 521395992 /nfs/dbraw/zinc/39/59/92/521395992.db2.gz UAJYTEQPTULHFP-SREVYHEPSA-N 0 0 373.840 3.872 50 30 FHEARN COc1cc(/C=C/C(=O)NCc2ccc(Cl)cc2)ccc1OCC#N ZINC000002725783 521931085 /nfs/dbraw/zinc/93/10/85/521931085.db2.gz ITQORRCPJPDGHL-WEVVVXLNSA-N 0 0 356.809 3.581 50 30 FHEARN COc1cc(/C=N/n2cnnc2)ccc1OCCSc1ccc(C)cc1 ZINC000002965732 522005075 /nfs/dbraw/zinc/00/50/75/522005075.db2.gz ZPSIMGSVYNSHTD-WSDLNYQXSA-N 0 0 368.462 3.648 50 30 FHEARN CN(C)c1ccc(C=[NH+][N-]c2cncc([C@@H](C#N)c3ccccc3)n2)cc1 ZINC000004117001 522135601 /nfs/dbraw/zinc/13/56/01/522135601.db2.gz DUQKHLJZEIEDSL-BBMHEYIBSA-N 0 0 356.433 3.644 50 30 FHEARN COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OC ZINC000103504090 522171106 /nfs/dbraw/zinc/17/11/06/522171106.db2.gz NUEQQKQIANXKOB-CQSZACIVSA-N 0 0 372.808 3.627 50 30 FHEARN COc1cc(C(=O)[C@H](C#N)C(=O)Nc2cccc(C)c2)cc(Cl)c1OC ZINC000103504087 522174583 /nfs/dbraw/zinc/17/45/83/522174583.db2.gz NUEQQKQIANXKOB-AWEZNQCLSA-N 0 0 372.808 3.627 50 30 FHEARN COc1cc(C(=O)[C@H](C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OC ZINC000103503786 522174685 /nfs/dbraw/zinc/17/46/85/522174685.db2.gz SGWYWFBEYGWOLW-AWEZNQCLSA-N 0 0 372.808 3.627 50 30 FHEARN COCc1cc(C)nc(N=NCc2cccc(Br)c2)c1C#N ZINC000038198615 522920305 /nfs/dbraw/zinc/92/03/05/522920305.db2.gz PEWITYRUXVQZEA-OCKHKDLRSA-N 0 0 359.227 3.617 50 30 FHEARN COc1ccc(-c2cc(CNc3nc(C)c(C(C)=O)cc3C#N)on2)cc1 ZINC000020385985 523109512 /nfs/dbraw/zinc/10/95/12/523109512.db2.gz MQLBXJTXRZBYJA-UHFFFAOYSA-N 0 0 362.389 3.740 50 30 FHEARN COc1ccc(-c2nn(CCC#N)cc2C(=O)OCc2ccccc2)cc1 ZINC000003354150 523247015 /nfs/dbraw/zinc/24/70/15/523247015.db2.gz IFYIXWCSKWPHLZ-UHFFFAOYSA-N 0 0 361.401 3.829 50 30 FHEARN COc1ccc(/C(C)=N\N2CCN(Cc3ccc(C)cc3)CC2)cc1OC ZINC000019901670 523365378 /nfs/dbraw/zinc/36/53/78/523365378.db2.gz CLNVGGPDUKAMRT-NKFKGCMQSA-N 0 0 367.493 3.554 50 30 FHEARN COc1ccc(/C=N/n2cnnc2SCc2ccccc2Cl)cc1O ZINC000001917923 523457498 /nfs/dbraw/zinc/45/74/98/523457498.db2.gz HNAAHWQPUFYFRL-AWQFTUOYSA-N 0 0 374.853 3.820 50 30 FHEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1cccnc1Cl ZINC000020751146 524034475 /nfs/dbraw/zinc/03/44/75/524034475.db2.gz DTELVCZHEQSSGQ-BOPFTXTBSA-N 0 0 370.836 3.772 50 30 FHEARN Cc1ccc(C)c(Oc2ccc(CNC(=O)N3CCC(C#N)CC3)cn2)c1 ZINC000057991654 524183738 /nfs/dbraw/zinc/18/37/38/524183738.db2.gz KBMIKLSYKAWVJH-UHFFFAOYSA-N 0 0 364.449 3.936 50 30 FHEARN COc1ccccc1/C=C1\Oc2cc(OCC(=O)OC(C)C)ccc2C1=O ZINC000005789798 524321605 /nfs/dbraw/zinc/32/16/05/524321605.db2.gz LMFAWJFROHKQJB-GRSHGNNSSA-N 0 0 368.385 3.642 50 30 biogenic FHEARN Cc1ccc(CN2CCN(/N=C/C=C/c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000019879176 524451725 /nfs/dbraw/zinc/45/17/25/524451725.db2.gz PXQDVFXXMVKPRB-MDWZQWPHSA-N 0 0 364.449 3.720 50 30 FHEARN Cc1cc(N)nc(S[C@@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)n1 ZINC000096129912 525045100 /nfs/dbraw/zinc/04/51/00/525045100.db2.gz TTWIKDAERWFCGT-MFVBVHDHSA-N 0 0 368.506 3.728 50 30 FHEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1CC/C2=N/NC(N)=S ZINC000252694543 525349394 /nfs/dbraw/zinc/34/93/94/525349394.db2.gz LYALGFDSSRNLPA-CMXWBHDLSA-N 0 0 363.571 3.579 50 30 FHEARN Cc1ccc(S(=O)(=O)N/N=C(/Cc2ccccc2)c2ccccc2)cc1 ZINC000004800586 525513918 /nfs/dbraw/zinc/51/39/18/525513918.db2.gz INMYHVHTZKDKDK-DQRAZIAOSA-N 0 0 364.470 3.920 50 30 FHEARN Cc1ccc(S(=O)(=O)OCC/C=C\CCCO[C@@H]2CCCCO2)cc1 ZINC000043761493 525621433 /nfs/dbraw/zinc/62/14/33/525621433.db2.gz HYUWKPPUUIRJQQ-GHMGLMHVSA-N 0 0 368.495 3.970 50 30 FHEARN Cc1ccc(-c2nc(CC(=O)N(CCC#N)Cc3cccnc3)cs2)o1 ZINC000058264354 525803826 /nfs/dbraw/zinc/80/38/26/525803826.db2.gz WSKMOYDINPSVNO-UHFFFAOYSA-N 0 0 366.446 3.592 50 30 FHEARN C[C@@]12OC(=N)[C@@](C#N)([C@H](c3ccccc3)O1)C(C#N)(C#N)[C@@H]2c1ccccc1 ZINC000239164806 525915735 /nfs/dbraw/zinc/91/57/35/525915735.db2.gz MYHXPTPDSAEKDZ-YSNWRPKNSA-N 0 0 368.396 3.809 50 30 FHEARN CSc1ccc(/C=C\C(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1 ZINC000033466905 525951888 /nfs/dbraw/zinc/95/18/88/525951888.db2.gz DDVAYQZEVRLHSL-MLPAPPSSSA-N 0 0 355.459 3.772 50 30 FHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)o1 ZINC000001464709 526025403 /nfs/dbraw/zinc/02/54/03/526025403.db2.gz POMPOWFIQKSVMX-LJQANCHMSA-N 0 0 374.396 3.762 50 30 FHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccnc2)cc1 ZINC000005490556 526027121 /nfs/dbraw/zinc/02/71/21/526027121.db2.gz RBPJPLWDPXAXBC-IBGZPJMESA-N 0 0 374.396 3.762 50 30 FHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)cc1 ZINC000005490625 526029132 /nfs/dbraw/zinc/02/91/32/526029132.db2.gz RBPJPLWDPXAXBC-LJQANCHMSA-N 0 0 374.396 3.762 50 30 FHEARN Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)N(C)C[C@@H](C)C#N ZINC000096133945 526295779 /nfs/dbraw/zinc/29/57/79/526295779.db2.gz XMFYWWBTQZCQQF-CMUBDUJZSA-N 0 0 370.884 3.833 50 30 FHEARN S=C1N=NC(c2ccccc2)N1N=Cc1ccccc1Br ZINC000239046946 526390063 /nfs/dbraw/zinc/39/00/63/526390063.db2.gz GAANKWCOVACVSR-UHFFFAOYSA-N 0 0 359.252 3.879 50 30 FHEARN N#CCCn1cc(C(=O)Nc2nccs2)c(-c2cccc(Cl)c2)n1 ZINC000005000330 526468048 /nfs/dbraw/zinc/46/80/48/526468048.db2.gz SRHOOCRZMSDHAP-UHFFFAOYSA-N 0 0 357.826 3.826 50 30 FHEARN N#C[C@@H](C(=O)c1cccc(NC(=O)C2CC2)c1)c1ccc(C(F)(F)F)cn1 ZINC000041555818 526493563 /nfs/dbraw/zinc/49/35/63/526493563.db2.gz JJJFYSHQEKEIBL-OAHLLOKOSA-N 0 0 373.334 3.939 50 30 FHEARN O=C(COc1ccc(Cl)cc1C1CCCCC1)N=C1NCCS1 ZINC000042565841 526954808 /nfs/dbraw/zinc/95/48/08/526954808.db2.gz AOJADYHPUDKMFF-UHFFFAOYSA-N 0 0 352.887 3.986 50 30 FHEARN Cc1nc2ccccc2nc1COC(=O)/C=C\c1ccc(OCC#N)cc1 ZINC000096401104 527172476 /nfs/dbraw/zinc/17/24/76/527172476.db2.gz QPEPSCGABDQZAN-FLIBITNWSA-N 0 0 359.385 3.597 50 30 FHEARN Nc1cc(N)cc(C(=O)Nc2ccc(/C=C/C(=O)c3ccccc3)cc2)c1 ZINC000040321605 527455942 /nfs/dbraw/zinc/45/59/42/527455942.db2.gz NWOMTDROHSOIPE-DHZHZOJOSA-N 0 0 357.413 3.999 50 30 FHEARN C=CCN(C(=O)CSc1nc2ccccc2c(=O)[nH]1)c1ccccc1 ZINC000012363488 560211649 /nfs/dbraw/zinc/21/16/49/560211649.db2.gz KOGVWBGSUZZTTK-UHFFFAOYSA-N 0 0 351.431 3.647 50 30 biogenic,in-vitro FHEARN N#Cc1ccccc1NC(=O)COc1ccc(Cl)cc1Br ZINC000000722648 568133565 /nfs/dbraw/zinc/13/35/65/568133565.db2.gz CFJZUAFYJYGRPF-UHFFFAOYSA-N 0 0 365.614 3.992 50 30 FHEARN O=C(NOC(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000000723563 568136177 /nfs/dbraw/zinc/13/61/77/568136177.db2.gz RETMHFHPXBVDHX-UHFFFAOYSA-N 0 0 354.587 3.604 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1Cc1ccccc1 ZINC000000635045 570441430 /nfs/dbraw/zinc/44/14/30/570441430.db2.gz ZIEBGJKZJHOSJW-MRXNPFEDSA-N 0 0 353.462 3.929 50 30 FHEARN O=C(NCc1ccccc1)c1ccc(/N=C2/C(=O)Nc3ccccc32)cc1 ZINC000016479988 570450878 /nfs/dbraw/zinc/45/08/78/570450878.db2.gz RWQZKWVLEQIHMC-UHFFFAOYSA-N 0 0 355.397 3.690 50 30 FHEARN Cc1nc2sc3c(c2c(=O)n1/N=C/c1cc(Cl)ccc1O)CCCC3 ZINC000000712274 570452137 /nfs/dbraw/zinc/45/21/37/570452137.db2.gz BKCDFBNUTJQRTJ-AWQFTUOYSA-N 0 0 373.865 3.886 50 30 FHEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(F)c(Cl)c1 ZINC000000791099 570456614 /nfs/dbraw/zinc/45/66/14/570456614.db2.gz BKRKMDZMXZLHOI-UHFFFAOYSA-N 0 0 359.813 3.805 50 30 FHEARN O=C1Nc2ccccc2/C1=N\N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000000823853 570458590 /nfs/dbraw/zinc/45/85/90/570458590.db2.gz IIIFDTSAAVUKBK-RGVLZGJSSA-N 0 0 360.329 3.630 50 30 FHEARN C=CCN1C(=O)/C(=N\N=C\c2ccc3ccccc3c2O)c2ccccc21 ZINC000000821981 570458684 /nfs/dbraw/zinc/45/86/84/570458684.db2.gz JTVXFAREUAIRMF-HSNZGUDMSA-N 0 0 355.397 3.901 50 30 FHEARN O=C1CCCC2=Nc3ncnn3[C@H](c3ccc(OCc4ccccc4)cc3)C12 ZINC000000950596 570465747 /nfs/dbraw/zinc/46/57/47/570465747.db2.gz BGOOXLMVVWIKRI-OAQYLSRUSA-N 0 0 372.428 3.879 50 30 FHEARN Cc1cccc(Oc2ccc(/N=C/c3ncc([N+](=O)[O-])n3C)cn2)c1C ZINC000001023818 570471713 /nfs/dbraw/zinc/47/17/13/570471713.db2.gz KAUAOTGSAOECQA-VXLYETTFSA-N 0 0 351.366 3.883 50 30 FHEARN O=C1C=C(c2ccccc2)C[C@@H](c2ccccc2)[C@H]1n1cnc([N+](=O)[O-])n1 ZINC000001056520 570477862 /nfs/dbraw/zinc/47/78/62/570477862.db2.gz YEFOINVAAQTTLT-PKOBYXMFSA-N 0 0 360.373 3.568 50 30 FHEARN O=[N+]([O-])c1ccccc1/C=N/c1ccc(I)cc1 ZINC000001087184 570479807 /nfs/dbraw/zinc/47/98/07/570479807.db2.gz WRVZWIZLXRZWRT-OQLLNIDSSA-N 0 0 352.131 3.950 50 30 FHEARN COCCOc1ccc(C(=O)/C=C/c2cnn(Cc3ccccc3)c2)cc1 ZINC000044027667 570481056 /nfs/dbraw/zinc/48/10/56/570481056.db2.gz QYJWRCNKLPIEOC-KPKJPENVSA-N 0 0 362.429 3.853 50 30 FHEARN C=CCN1C(=O)[C@@H](Cc2ccc(C)cc2)S/C1=N\N=C\c1ccco1 ZINC000001190621 570491128 /nfs/dbraw/zinc/49/11/28/570491128.db2.gz XKBNQNLRNWATHJ-VGCKYNLESA-N 0 0 353.447 3.651 50 30 FHEARN CCOC(=O)c1ccc(NC=CC(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000001216758 570493945 /nfs/dbraw/zinc/49/39/45/570493945.db2.gz DDGGUTYEFIEOOQ-VAWYXSNFSA-N 0 0 355.390 3.689 50 30 FHEARN CC(=O)ON(C(C)=O)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)n1 ZINC000001230163 570495836 /nfs/dbraw/zinc/49/58/36/570495836.db2.gz LOQIKFRPCANWIT-UHFFFAOYSA-N 0 0 365.364 3.781 50 30 FHEARN COc1ccc(-c2c(C)c(-c3cnn(C)c3)nc(N)c2C#N)cc1Cl ZINC000071761242 570511854 /nfs/dbraw/zinc/51/18/54/570511854.db2.gz STOQLUQGEPGICP-UHFFFAOYSA-N 0 0 353.813 3.573 50 30 FHEARN N#Cc1ccc(C[NH+]2CCC3(C[C@H]3c3nnc4n3CCCCC4)CC2)cc1 ZINC000071890623 570515132 /nfs/dbraw/zinc/51/51/32/570515132.db2.gz JVQJTAWHTWLFCK-IBGZPJMESA-N 0 0 361.493 3.646 50 30 FHEARN CCN(CC)C(=O)C(=O)c1cn(Cc2ccc(C#N)cc2)c2ccccc12 ZINC000014136077 570517188 /nfs/dbraw/zinc/51/71/88/570517188.db2.gz OAHCLKNLVOBMFF-UHFFFAOYSA-N 0 0 359.429 3.612 50 30 FHEARN CN1C(=O)CS/C1=N/c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000100264159 570550793 /nfs/dbraw/zinc/55/07/93/570550793.db2.gz YFQUUOUGTGFJTK-WUKNDPDISA-N 0 0 359.432 3.939 50 30 FHEARN C=CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CC2)[C@@H]1c1cccc(C)c1 ZINC000034924179 570563841 /nfs/dbraw/zinc/56/38/41/570563841.db2.gz HANRJDBXRAAHNM-NHCUHLMSSA-N 0 0 360.457 3.740 50 30 FHEARN COc1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1Cl ZINC000005009226 570574428 /nfs/dbraw/zinc/57/44/28/570574428.db2.gz PKYBLEMQRRJHHI-UHFFFAOYSA-N 0 0 371.849 3.675 50 30 FHEARN Cc1ccc(N2C(=O)C[C@@H](Sc3nc(C4CC4)ccc3C#N)C2=O)cc1 ZINC000100583462 570579351 /nfs/dbraw/zinc/57/93/51/570579351.db2.gz PGSIDRWXJUSZHW-QGZVFWFLSA-N 0 0 363.442 3.563 50 30 FHEARN C=CCN1C(=O)/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=S ZINC000005129576 570587512 /nfs/dbraw/zinc/58/75/12/570587512.db2.gz XUYIEWOPTWEJPG-RVDMUPIBSA-N 0 0 371.443 3.773 50 30 FHEARN CC(=O)Nc1c2cccc(C)c2n(C)c1OCc1nnc2n1CCCCC2 ZINC000329161112 570610257 /nfs/dbraw/zinc/61/02/57/570610257.db2.gz FCZNAROYGHRZJG-UHFFFAOYSA-N 0 0 367.453 3.992 50 30 FHEARN CCOc1ccc(CN=Nc2cc(OC)nc(-c3ccccc3)n2)c(O)c1 ZINC000252609855 570624050 /nfs/dbraw/zinc/62/40/50/570624050.db2.gz HWJWCPLGJCCPBM-UHFFFAOYSA-N 0 0 364.405 3.703 50 30 FHEARN C=CCNC(=O)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000005200910 570632828 /nfs/dbraw/zinc/63/28/28/570632828.db2.gz BZGLCJUXMFHTGK-CMPLNLGQSA-N 0 0 356.373 3.521 50 30 FHEARN COc1cc(C#N)ccc1OCC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000005280474 570645745 /nfs/dbraw/zinc/64/57/45/570645745.db2.gz AUAWAVFEELBHIS-UHFFFAOYSA-N 0 0 365.433 3.575 50 30 FHEARN C=CCN1C(=O)[C@H](Cc2ccc(F)cc2)S/C1=N\N=C\c1cccs1 ZINC000012343840 570738161 /nfs/dbraw/zinc/73/81/61/570738161.db2.gz POVNOQUCOMZKBQ-DHXXWJELSA-N 0 0 373.478 3.950 50 30 FHEARN COc1ccc(C)cc1[C@@H](C)NC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000012794086 570762285 /nfs/dbraw/zinc/76/22/85/570762285.db2.gz ULHPJZWCNVMMJF-OAHLLOKOSA-N 0 0 368.481 3.541 50 30 FHEARN Cc1nnc(/N=C2\S/C(=C\c3cccc4cccnc34)C(=O)N2C)s1 ZINC000013684790 570784496 /nfs/dbraw/zinc/78/44/96/570784496.db2.gz VTKQAXQIZFNLLH-RNCDLMBZSA-N 0 0 367.459 3.629 50 30 FHEARN Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)cc1)[C@@H](C#N)C(=N)O2 ZINC000013766012 570789913 /nfs/dbraw/zinc/78/99/13/570789913.db2.gz JKNAEKWEAVBGFU-IEBWSBKVSA-N 0 0 358.401 3.587 50 30 FHEARN N#Cc1cccc(C(=O)N2CCN(Cc3csc4ccccc34)CC2)c1 ZINC000032757091 570794456 /nfs/dbraw/zinc/79/44/56/570794456.db2.gz ZQNNPXZBMBPXFC-UHFFFAOYSA-N 0 0 361.470 3.731 50 30 FHEARN CC[C@H]1S/C(=N/S(=O)(=O)c2ccc(C)cc2)N(c2ccccc2)C1=O ZINC000101219148 570817857 /nfs/dbraw/zinc/81/78/57/570817857.db2.gz VWUOWRGBWXFBRK-VRTBNJGNSA-N 0 0 374.487 3.598 50 30 FHEARN N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cc2c(s1)CCCCCC2 ZINC000102140942 570827720 /nfs/dbraw/zinc/82/77/20/570827720.db2.gz QANAUOKCWZHAPF-CQSZACIVSA-N 0 0 353.447 3.763 50 30 FHEARN COc1ccc(/N=C2/S/C(=C\c3cc(C)n(C)c3C)C(=O)N2C)cc1 ZINC000015010311 570828851 /nfs/dbraw/zinc/82/88/51/570828851.db2.gz NMZYIIFZQKCJMB-GDOHLEIWSA-N 0 0 355.463 3.884 50 30 FHEARN C#CCOc1ccc(/C=C/C(=O)c2ccc(O)c(OC)c2)cc1OCC ZINC000015352724 570838028 /nfs/dbraw/zinc/83/80/28/570838028.db2.gz GCFBTCPDUOZPIP-RMKNXTFCSA-N 0 0 352.386 3.708 50 30 FHEARN COc1ccc2c(c1C)CCC/C2=N\OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000015800150 570844029 /nfs/dbraw/zinc/84/40/29/570844029.db2.gz YVVJADWXBOPZND-LVZFUZTISA-N 0 0 354.362 3.809 50 30 FHEARN COc1ccc(O/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000015987931 570848867 /nfs/dbraw/zinc/84/88/67/570848867.db2.gz SGCJSLDHDNJMOJ-QZQOTICOSA-N 0 0 367.426 3.910 50 30 FHEARN CCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000103791898 570852900 /nfs/dbraw/zinc/85/29/00/570852900.db2.gz HEOBVZWXBWVPFV-QTCOOLGCSA-N 0 0 354.357 3.658 50 30 FHEARN Cc1cc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)nc(C)n1 ZINC000024568963 570859421 /nfs/dbraw/zinc/85/94/21/570859421.db2.gz ITFLJYXQDRDZLE-SNVBAGLBSA-N 0 0 372.519 3.882 50 30 FHEARN N#Cc1c(F)cccc1NCCNC(=O)c1ccc(C(F)(F)F)cc1 ZINC000032923362 570862837 /nfs/dbraw/zinc/86/28/37/570862837.db2.gz YYRJJVVOSDROHD-UHFFFAOYSA-N 0 0 351.303 3.558 50 30 FHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000017251961 570871198 /nfs/dbraw/zinc/87/11/98/570871198.db2.gz XLZZRLOOWPEZAX-KRWDZBQOSA-N 0 0 371.820 3.565 50 30 FHEARN O=C1c2ccccc2N[C@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1O ZINC000000651710 570874659 /nfs/dbraw/zinc/87/46/59/570874659.db2.gz QXURFQSYEYFVLP-KRWDZBQOSA-N 0 0 351.318 3.811 50 30 aggregator FHEARN Oc1ccc(I)cc1C=Nc1ccc2n[nH]cc2c1 ZINC000018179794 570876031 /nfs/dbraw/zinc/87/60/31/570876031.db2.gz NOEQHYLMXLMTOZ-FRKPEAEDSA-N 0 0 363.158 3.624 50 30 FHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 ZINC000019138533 570881387 /nfs/dbraw/zinc/88/13/87/570881387.db2.gz DVUPCFMLBPSHSZ-IBGZPJMESA-N 0 0 365.429 3.610 50 30 FHEARN CCOC(=O)c1ccc2[nH]c(=NC=C3C(=O)CC(C)(C)CC3=O)sc2c1 ZINC000044835312 570900367 /nfs/dbraw/zinc/90/03/67/570900367.db2.gz YNXUAJJHHAGGTE-UHFFFAOYSA-N 0 0 372.446 3.727 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccn1 ZINC000019761319 570902336 /nfs/dbraw/zinc/90/23/36/570902336.db2.gz SEDUCHOIUKMEMK-OPAMFIHVSA-N 0 0 374.440 3.616 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1C(F)(F)F ZINC000019990464 570908104 /nfs/dbraw/zinc/90/81/04/570908104.db2.gz XTFOJEIEYGQEGL-MRXNPFEDSA-N 0 0 365.351 3.846 50 30 FHEARN COc1ccc(/C(C)=N\N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000020123655 570910330 /nfs/dbraw/zinc/91/03/30/570910330.db2.gz JXNXMJAMKXYMMK-JWGURIENSA-N 0 0 357.885 3.890 50 30 FHEARN O=C(NC(=NCc1ccncc1)Nc1ccccc1F)c1cccc(F)c1 ZINC000045939925 570915241 /nfs/dbraw/zinc/91/52/41/570915241.db2.gz AFWNQZQWAWCXON-UHFFFAOYSA-N 0 0 366.371 3.567 50 30 FHEARN COc1cc(Cl)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)c1O ZINC000020500275 570918836 /nfs/dbraw/zinc/91/88/36/570918836.db2.gz SZMWLCPFLYGSDX-UHFFFAOYSA-N 0 0 373.836 3.755 50 30 FHEARN C=CCn1c2ccc(NS(=O)(=O)c3ccc(CC)cc3)cc2sc1=O ZINC000046017732 570919545 /nfs/dbraw/zinc/91/95/45/570919545.db2.gz VQBIWDCFEYREAJ-UHFFFAOYSA-N 0 0 374.487 3.612 50 30 FHEARN Cc1cccc(NC(=NC(=O)c2cccc(F)c2)NC[C@@H]2CCCO2)c1 ZINC000046130500 570928017 /nfs/dbraw/zinc/92/80/17/570928017.db2.gz ZXKUEFNSUIIMSK-SFHVURJKSA-N 0 0 355.413 3.511 50 30 FHEARN CC(C)c1ccccc1NC(=O)[C@H](C)Sc1nc(N)c(C#N)cc1C#N ZINC000018435201 570967717 /nfs/dbraw/zinc/96/77/17/570967717.db2.gz HFKGRZFJUZNSHV-LBPRGKRZSA-N 0 0 365.462 3.650 50 30 FHEARN Cc1noc(CSc2ccccc2C(=O)Nc2cccc(C#N)c2)n1 ZINC000024732627 570980367 /nfs/dbraw/zinc/98/03/67/570980367.db2.gz WBJSFFJHOMXDIJ-UHFFFAOYSA-N 0 0 350.403 3.794 50 30 FHEARN FC(F)(F)c1nnc2n1NC(Nc1c(Cl)cccc1Cl)=CS2 ZINC000027028812 571010230 /nfs/dbraw/zinc/01/02/30/571010230.db2.gz LHBDDMJZTCGIAV-UHFFFAOYSA-N 0 0 368.171 3.983 50 30 FHEARN N#C[C@@H](c1ccccc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000028896331 571035263 /nfs/dbraw/zinc/03/52/63/571035263.db2.gz YZXZCUAMBYLKCL-FCSDKFEESA-N 0 0 363.505 3.612 50 30 FHEARN CN(C(=O)c1nc(-c2cccs2)n(-c2ccccc2)n1)C1(C#N)CCC1 ZINC000067683409 571054669 /nfs/dbraw/zinc/05/46/69/571054669.db2.gz RYZRBIOZXRRKHK-UHFFFAOYSA-N 0 0 363.446 3.514 50 30 FHEARN C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)c1cnc2cccc(C)n2c1=O ZINC000055183078 571058185 /nfs/dbraw/zinc/05/81/85/571058185.db2.gz MEDSNBIACVWKAX-ROUUACIJSA-N 0 0 363.461 3.685 50 30 FHEARN C=CCNc1ccccc1C(=O)N1CCC([C@H](O)Cc2ccccc2)CC1 ZINC000055359097 571058689 /nfs/dbraw/zinc/05/86/89/571058689.db2.gz VQEKTMYAKXAIOW-JOCHJYFZSA-N 0 0 364.489 3.740 50 30 FHEARN C=CCOc1ccc(C(=O)N(Cc2nnc(CC)o2)C(C)C)cc1OCC ZINC000055401605 571059025 /nfs/dbraw/zinc/05/90/25/571059025.db2.gz MKWUOOAEINJWMR-UHFFFAOYSA-N 0 0 373.453 3.646 50 30 FHEARN C=CCN(Cc1ccc(F)cc1)C(=O)c1ccc(OC)c(OC)c1OC ZINC000055414717 571059097 /nfs/dbraw/zinc/05/90/97/571059097.db2.gz VZBFTMKRBVPCAT-UHFFFAOYSA-N 0 0 359.397 3.680 50 30 FHEARN C=CCO[C@H](C)C(=O)Nc1nc(-c2ccc([C@@H](C)NC(C)=O)cc2)cs1 ZINC000058218496 571062653 /nfs/dbraw/zinc/06/26/53/571062653.db2.gz GBYYLEGWFURSOB-CHWSQXEVSA-N 0 0 373.478 3.537 50 30 FHEARN C=CCn1c(SCc2cccc(C(=O)N(C)C)c2)nnc1-c1ccco1 ZINC000058209163 571062722 /nfs/dbraw/zinc/06/27/22/571062722.db2.gz JPVCMKSRUXAARX-UHFFFAOYSA-N 0 0 368.462 3.718 50 30 FHEARN O=C(N=C1Nc2cccc3cccc1c23)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000001782943 571070215 /nfs/dbraw/zinc/07/02/15/571070215.db2.gz XZVSNYKVHFXABN-UHFFFAOYSA-N 0 0 362.301 3.669 50 30 FHEARN C=CCn1cc(CN2CC(=O)Nc3ccccc3[C@H]2c2ccccc2)c(C)n1 ZINC000063872393 571072193 /nfs/dbraw/zinc/07/21/93/571072193.db2.gz IXDVMJLUYLVLSX-HSZRJFAPSA-N 0 0 372.472 3.921 50 30 FHEARN C=CCOc1ccc(Cl)cc1[C@@H]1CC(=O)NCc2nc3sccn3c21 ZINC000065430764 571074197 /nfs/dbraw/zinc/07/41/97/571074197.db2.gz SJWSPROBDJYVSX-ZDUSSCGKSA-N 0 0 373.865 3.766 50 30 FHEARN Cc1cn(CC(=O)Nc2cccc(NC(=O)NN(C)C)c2)c2ccccc12 ZINC000328591276 571083296 /nfs/dbraw/zinc/08/32/96/571083296.db2.gz BUTLNCBLGWOCJA-UHFFFAOYSA-N 0 0 365.437 3.850 50 30 FHEARN N#C[C@H](C(=O)[C@H]1C[C@@H]1c1ccco1)c1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000084432086 571085742 /nfs/dbraw/zinc/08/57/42/571085742.db2.gz KTXAHWMHSMZXBW-RWMBFGLXSA-N 0 0 353.765 3.562 50 30 FHEARN O=C(C#Cc1ccc2c(c1)OCO2)NC(c1ccccc1)c1ccccc1 ZINC000084522713 571088218 /nfs/dbraw/zinc/08/82/18/571088218.db2.gz XQPGQUSCRKPCQD-UHFFFAOYSA-N 0 0 355.393 3.673 50 30 FHEARN C=CCn1c(S[C@@H](C)C(=O)N2CCC(C)CC2)nnc1-c1ccccc1 ZINC000040159372 571089051 /nfs/dbraw/zinc/08/90/51/571089051.db2.gz FYGMVDRDEPKLPS-INIZCTEOSA-N 0 0 370.522 3.870 50 30 FHEARN COc1ccc(N[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 ZINC000024992558 571093178 /nfs/dbraw/zinc/09/31/78/571093178.db2.gz LYGGSXJVRAYJTF-LBPRGKRZSA-N 0 0 370.478 3.731 50 30 FHEARN N/C(=N\O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)nc1 ZINC000044676020 571101810 /nfs/dbraw/zinc/10/18/10/571101810.db2.gz WLUZWRQIWQNQRU-UHFFFAOYSA-N 0 0 374.400 3.537 50 30 FHEARN C=CCc1cc(Cl)ccc1OCCCC(C(=O)OCC)C(=O)OCC ZINC000004845354 571102398 /nfs/dbraw/zinc/10/23/98/571102398.db2.gz DKOGYJUWXCNDMI-UHFFFAOYSA-N 0 0 368.857 3.970 50 30 FHEARN C=CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000004570989 571102420 /nfs/dbraw/zinc/10/24/20/571102420.db2.gz QDPNMFONKDBSRZ-CQSZACIVSA-N 0 0 370.836 3.896 50 30 FHEARN COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O ZINC000009486666 571110996 /nfs/dbraw/zinc/11/09/96/571110996.db2.gz QIJOCPXIIQYLIT-JWHLFPLYSA-N 0 0 358.777 3.897 50 30 FHEARN O=C1c2ccc3c(c2O/C1=C\c1cccs1)CN(C[C@H]1CCCO1)CO3 ZINC000013718562 571111450 /nfs/dbraw/zinc/11/14/50/571111450.db2.gz XGTPIFGKDGXQNB-ODGFMFMFSA-N 0 0 369.442 3.695 50 30 FHEARN N#Cc1ccc(Cc2cnc(NC(=O)[C@@H]3Cc4ccccc4O3)s2)cc1 ZINC000012808410 571111586 /nfs/dbraw/zinc/11/15/86/571111586.db2.gz DXSLVCUZIHZCTH-SFHVURJKSA-N 0 0 361.426 3.548 50 30 FHEARN C=CCNC(=O)N1CC[C@]2(C1)CCCN(Cc1ccc(C(C)C)cc1)C2=O ZINC000011945180 571117220 /nfs/dbraw/zinc/11/72/20/571117220.db2.gz OAGZHZONWMKQNC-QFIPXVFZSA-N 0 0 369.509 3.520 50 30 FHEARN CC#CCN(Cc1ccco1)Cc1c[nH]nc1-c1ccc(OC)cc1F ZINC000012305480 571118007 /nfs/dbraw/zinc/11/80/07/571118007.db2.gz PNQNAWSLUWCQHQ-UHFFFAOYSA-N 0 0 353.397 3.843 50 30 FHEARN N#Cc1cccc(OCC(=O)Nc2ccccc2OCC(F)(F)F)c1 ZINC000025044691 571120201 /nfs/dbraw/zinc/12/02/01/571120201.db2.gz RGKCSZHTIQOACK-UHFFFAOYSA-N 0 0 350.296 3.517 50 30 FHEARN C=CCSc1ccccc1NC(=O)Cn1cnc2c(C)cccc2c1=O ZINC000014139094 571120871 /nfs/dbraw/zinc/12/08/71/571120871.db2.gz YOFXUYSYSSQTHP-UHFFFAOYSA-N 0 0 365.458 3.622 50 30 FHEARN C=CCN(C(=O)CCNC(=O)c1ccccc1)c1nc2ccccc2s1 ZINC000014160918 571120900 /nfs/dbraw/zinc/12/09/00/571120900.db2.gz ZJGRJQGPOVKJBT-UHFFFAOYSA-N 0 0 365.458 3.635 50 30 FHEARN C=CCN(c1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1)S(C)(=O)=O ZINC000000667705 571122703 /nfs/dbraw/zinc/12/27/03/571122703.db2.gz HMJUXZBAZBIJEW-UHFFFAOYSA-N 0 0 358.463 3.508 50 30 FHEARN C=CCN1C(=O)/C(=C/c2c3ccccc3cc3ccccc32)C(=O)NC1=S ZINC000001225831 571123571 /nfs/dbraw/zinc/12/35/71/571123571.db2.gz ITKNEHFDKYUSHX-CPNJWEJPSA-N 0 0 372.449 3.806 50 30 FHEARN Cc1cc2n(n1)[C@@H](c1ccc(C#N)cc1)C(C(=O)Nc1ccccc1)=C(C)N2 ZINC000072332715 571123824 /nfs/dbraw/zinc/12/38/24/571123824.db2.gz XMTUFCPGXBNONY-NRFANRHFSA-N 0 0 369.428 3.991 50 30 FHEARN C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(CC)cc1 ZINC000002502881 571127438 /nfs/dbraw/zinc/12/74/38/571127438.db2.gz UWFBHZJDAOVLJC-SFHVURJKSA-N 0 0 370.474 3.628 50 30 FHEARN N#CCCN(Cc1ccco1)C(=O)Cc1ccc(F)c(Br)c1 ZINC000058193255 571128027 /nfs/dbraw/zinc/12/80/27/571128027.db2.gz ZDBOYZFZUBJKRS-UHFFFAOYSA-N 0 0 365.202 3.666 50 30 FHEARN Cc1ccc(-c2nc(CC(=O)N(CCC#N)Cc3ccco3)cs2)o1 ZINC000058203076 571128759 /nfs/dbraw/zinc/12/87/59/571128759.db2.gz OWRNGDDGGXUGDO-UHFFFAOYSA-N 0 0 355.419 3.790 50 30 FHEARN CC(C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@H](C)C1 ZINC000006129931 571137166 /nfs/dbraw/zinc/13/71/66/571137166.db2.gz IUYNOHCDQWSYCD-XHSDSOJGSA-N 0 0 366.465 3.671 50 30 FHEARN N#Cc1cccc(NCC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1 ZINC000126145094 571139913 /nfs/dbraw/zinc/13/99/13/571139913.db2.gz FDKLVECIESGNTD-UHFFFAOYSA-N 0 0 369.852 3.694 50 30 FHEARN C=CCn1c(SCC(=O)OC)nnc1-c1ccc(OC2CCCC2)cc1 ZINC000017076482 571140053 /nfs/dbraw/zinc/14/00/53/571140053.db2.gz XZAVYAVJECIKFE-UHFFFAOYSA-N 0 0 373.478 3.718 50 30 FHEARN C=CCn1c(S[C@H](Cc2ccccc2)C(=O)OCC)nnc1C1CC1 ZINC000077216722 571140180 /nfs/dbraw/zinc/14/01/80/571140180.db2.gz VSYOPBQDUSVGPA-MRXNPFEDSA-N 0 0 357.479 3.608 50 30 FHEARN N#Cc1cc(C#N)c(SCc2c(Cl)ccc3cccnc32)nc1N ZINC000077896737 571140821 /nfs/dbraw/zinc/14/08/21/571140821.db2.gz BUBYTDMHXUPYBC-UHFFFAOYSA-N 0 0 351.822 3.901 50 30 FHEARN C#CCN1C(=O)S/C(=C/c2c[nH]c3ccc(Br)cc23)C1=O ZINC000019938890 571141022 /nfs/dbraw/zinc/14/10/22/571141022.db2.gz FMBOLQBTMMCXSH-AWNIVKPZSA-N 0 0 361.220 3.600 50 30 FHEARN N#Cc1cccc(C(=O)Nc2ccc(C3=CSC4=NCCCN34)cc2)c1 ZINC000012891429 571142516 /nfs/dbraw/zinc/14/25/16/571142516.db2.gz WFZZTFSMILJKRC-UHFFFAOYSA-N 0 0 360.442 3.917 50 30 FHEARN COC(=O)c1sc(NC(=O)c2csc3c2CCCC3)c(C#N)c1C ZINC000001056131 571145128 /nfs/dbraw/zinc/14/51/28/571145128.db2.gz FMNGSYGQKFUASR-UHFFFAOYSA-N 0 0 360.460 3.907 50 30 FHEARN N#CCSc1ccccc1NC(=O)CSc1nncc2ccccc21 ZINC000012921772 571145339 /nfs/dbraw/zinc/14/53/39/571145339.db2.gz AJHWESGSYSFWIY-UHFFFAOYSA-N 0 0 366.471 3.976 50 30 FHEARN COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(F)cc2)C[C@H]1c1ccc(OC)cc1 ZINC000001079989 571145633 /nfs/dbraw/zinc/14/56/33/571145633.db2.gz PITPOKMPKVZPRG-ICSRJNTNSA-N 0 0 369.392 3.676 50 30 FHEARN N#Cc1c(COC(=O)/C=C\c2ccc(Br)o2)cn2ccccc12 ZINC000096833566 571150093 /nfs/dbraw/zinc/15/00/93/571150093.db2.gz KZLBGWVLEIAOBH-ALCCZGGFSA-N 0 0 371.190 3.923 50 30 FHEARN CCc1ccc(C2=NN/C(=N\c3cccc(NC(C)=O)c3)SC2)cc1 ZINC000026144815 571150538 /nfs/dbraw/zinc/15/05/38/571150538.db2.gz SRCILHYDKTZDRH-UHFFFAOYSA-N 0 0 352.463 3.936 50 30 FHEARN N#Cc1cc2c(nc1SCC(=O)Nc1cccc(F)c1)C1CCN2CC1 ZINC000004707103 571163582 /nfs/dbraw/zinc/16/35/82/571163582.db2.gz IPHRNAFNCHGEFM-UHFFFAOYSA-N 0 0 368.437 3.521 50 30 FHEARN N#Cc1ccsc1NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 ZINC000015183235 571163892 /nfs/dbraw/zinc/16/38/92/571163892.db2.gz BSFFQTXARSIMPF-UHFFFAOYSA-N 0 0 372.421 3.753 50 30 FHEARN N#Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)cc1 ZINC000033231794 571167254 /nfs/dbraw/zinc/16/72/54/571167254.db2.gz CMYGAVGWXZNBOK-UHFFFAOYSA-N 0 0 367.206 3.963 50 30 FHEARN COc1cc(C#N)ccc1OC(=O)c1ccc(Br)cc1F ZINC000012613540 571191237 /nfs/dbraw/zinc/19/12/37/571191237.db2.gz MIKHIWKVBLIFAZ-UHFFFAOYSA-N 0 0 350.143 3.688 50 30 FHEARN C=CCNC(=O)COC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc21 ZINC000006566322 571210014 /nfs/dbraw/zinc/21/00/14/571210014.db2.gz UCEWKCPJJQSLJX-UHFFFAOYSA-N 0 0 374.440 3.978 50 30 FHEARN C=CCN1C(=O)N/C(=C\c2cc(C)n(-c3ccccc3Cl)c2C)C1=O ZINC000033348323 571236494 /nfs/dbraw/zinc/23/64/94/571236494.db2.gz XDHDWXUJIOXDFD-WJDWOHSUSA-N 0 0 355.825 3.826 50 30 FHEARN C[C@H](OC(=O)c1c(O)coc1Nc1ccccc1)c1ccccc1Cl ZINC000006654286 571239529 /nfs/dbraw/zinc/23/95/29/571239529.db2.gz JTSLYNWADJSWQC-LBPRGKRZSA-N 0 0 357.793 3.867 50 30 FHEARN Cn1nccc1C(=O)/C=C/c1ccc(COc2cc(F)ccc2[N+](=O)[O-])o1 ZINC000006925473 571254767 /nfs/dbraw/zinc/25/47/67/571254767.db2.gz LHBQAZAFCQLGAP-FNORWQNLSA-N 0 0 371.324 3.536 50 30 FHEARN C=CCN1C(=O)c2ccc(C(=O)N[C@@H](c3cccs3)C(C)C)cc2C1=O ZINC000007121002 571261532 /nfs/dbraw/zinc/26/15/32/571261532.db2.gz UDCVPOVZISMOJN-QGZVFWFLSA-N 0 0 368.458 3.657 50 30 FHEARN Cc1ccc2c(c1)CCCN2CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000007494424 571266622 /nfs/dbraw/zinc/26/66/22/571266622.db2.gz PNYVNJIBAQFKQH-UHFFFAOYSA-N 0 0 351.475 3.808 50 30 FHEARN N#Cc1ccc(N2CCC[C@H](Sc3ccc([N+](=O)[O-])cc3F)C2=O)cc1 ZINC000170610386 571267498 /nfs/dbraw/zinc/26/74/98/571267498.db2.gz GOGHCVDIQYXUNR-KRWDZBQOSA-N 0 0 371.393 3.893 50 30 FHEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2OCC)C1 ZINC000007543498 571268820 /nfs/dbraw/zinc/26/88/20/571268820.db2.gz MHJQFURTGLTILH-INIZCTEOSA-N 0 0 359.429 3.589 50 30 FHEARN C[C@H]1CCCN(c2ccccc2OS(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000170623184 571269163 /nfs/dbraw/zinc/26/91/63/571269163.db2.gz GAVNUXDURRUGLU-INIZCTEOSA-N 0 0 370.474 3.703 50 30 FHEARN Cc1ccc(C)c(Sc2ccc(NC(=O)Cn3cnc(C#N)n3)cc2)c1 ZINC000014143703 571271690 /nfs/dbraw/zinc/27/16/90/571271690.db2.gz JOIQYYZSBMMNLK-UHFFFAOYSA-N 0 0 363.446 3.557 50 30 FHEARN Cc1cc(C)n(N=Cc2cccc(OCc3ccccc3)c2)c(=O)c1C#N ZINC000252461438 571279010 /nfs/dbraw/zinc/27/90/10/571279010.db2.gz MLAOOMAIYYOFNB-UHFFFAOYSA-N 0 0 357.413 3.798 50 30 FHEARN Cc1ccc2nc(-c3ccc(NN=C(C#N)C(N)=S)cc3)sc2c1 ZINC000252460503 571279024 /nfs/dbraw/zinc/27/90/24/571279024.db2.gz FYCLRUFVKGGGHZ-UHFFFAOYSA-N 0 0 351.460 3.849 50 30 FHEARN C=CCSc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000007709691 571286137 /nfs/dbraw/zinc/28/61/37/571286137.db2.gz NWWOJUOSBVYYGT-UHFFFAOYSA-N 0 0 374.487 3.650 50 30 FHEARN C[C@@]12OC(=N)[C@@](C#N)([C@H](c3ccccc3)O1)C(C#N)(C#N)[C@H]2c1ccccc1 ZINC000139366760 571311448 /nfs/dbraw/zinc/31/14/48/571311448.db2.gz MYHXPTPDSAEKDZ-RJOZEALSSA-N 0 0 368.396 3.809 50 30 FHEARN C=CCNC(=O)c1c(N)n(-c2ccc(CC)cc2)c2nc3ccccc3nc21 ZINC000002311638 571317760 /nfs/dbraw/zinc/31/77/60/571317760.db2.gz LRJWFLQBLGJIJK-UHFFFAOYSA-N 0 0 371.444 3.634 50 30 FHEARN COc1cccc(-c2ccc(C#N)c(SCC(=O)NC3CCCC3)n2)c1 ZINC000000662167 571319093 /nfs/dbraw/zinc/31/90/93/571319093.db2.gz ZCKMTILEFLSHNH-UHFFFAOYSA-N 0 0 367.474 3.780 50 30 FHEARN Cc1[nH]c(NC(=O)CSc2nc(-c3ccccc3)c(C)[nH]2)c(C#N)c1C ZINC000012372030 571322374 /nfs/dbraw/zinc/32/23/74/571322374.db2.gz SMSWQHIXOGNPQE-UHFFFAOYSA-N 0 0 365.462 3.933 50 30 FHEARN COc1ccc(/C=C2\Oc3c(ccc(OC(C)=O)c3C)C2=O)cc1OC ZINC000012879846 571322858 /nfs/dbraw/zinc/32/28/58/571322858.db2.gz UMFCGDJGYCUKFH-ZDLGFXPLSA-N 0 0 354.358 3.554 50 30 FHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1cc(-c2ccco2)on1 ZINC000019368293 571326253 /nfs/dbraw/zinc/32/62/53/571326253.db2.gz XQTDNOXZAAFJIG-UHFFFAOYSA-N 0 0 363.329 3.855 50 30 FHEARN CCN1CCN(c2nc(SC)nc(-c3ccc(Cl)cc3)c2C#N)CC1 ZINC000019820532 571327365 /nfs/dbraw/zinc/32/73/65/571327365.db2.gz DOJKIXKUXJNRGJ-UHFFFAOYSA-N 0 0 373.913 3.532 50 30 FHEARN Cc1nn(-c2ccccn2)c2c1[C@H](c1ccc(C#N)cc1)SCC(=O)N2 ZINC000079477064 571327532 /nfs/dbraw/zinc/32/75/32/571327532.db2.gz AUCUZPPEBDJHRH-SFHVURJKSA-N 0 0 361.430 3.872 50 30 FHEARN C[C@@H]1CCC[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccncc2)O3)C1 ZINC000020517923 571330498 /nfs/dbraw/zinc/33/04/98/571330498.db2.gz ZRBIOUMOFYOBQD-AXLWCPOOSA-N 0 0 350.418 3.635 50 30 FHEARN COc1cc(-c2c3c(C)nn(-c4ccccc4)c3nc(N)c2C#N)ccc1O ZINC000020519486 571330695 /nfs/dbraw/zinc/33/06/95/571330695.db2.gz KPPSNMIPNVQDRP-UHFFFAOYSA-N 0 0 371.400 3.564 50 30 FHEARN COc1ccccc1/C=C1\Oc2c(c(C)cc([O-])c2C[NH+]2CCCC2)C1=O ZINC000020573211 571331152 /nfs/dbraw/zinc/33/11/52/571331152.db2.gz GKKHQRIMMUTCDA-UNOMPAQXSA-N 0 0 365.429 3.921 50 30 FHEARN Cc1sc(NC(=O)CCNC(=O)c2ccccc2Cl)c(C#N)c1C ZINC000020836562 571331800 /nfs/dbraw/zinc/33/18/00/571331800.db2.gz GDQFEVHCUNFZLR-UHFFFAOYSA-N 0 0 361.854 3.649 50 30 FHEARN CC(=O)N[C@@H](CC(=O)Nc1ccccc1SCCC#N)c1cccs1 ZINC000095953482 571332788 /nfs/dbraw/zinc/33/27/88/571332788.db2.gz MPYHDMIZAFRYFE-HNNXBMFYSA-N 0 0 373.503 3.960 50 30 FHEARN CN(Cc1cccc(C#N)c1)c1ccnc2cc(Br)cnc21 ZINC000096009271 571333936 /nfs/dbraw/zinc/33/39/36/571333936.db2.gz UCZCXZHRVPGAKU-UHFFFAOYSA-N 0 0 353.223 3.900 50 30 FHEARN N#Cc1cccc(/C=C2/N=C(c3ccccc3Br)OC2=O)c1 ZINC000096018742 571334031 /nfs/dbraw/zinc/33/40/31/571334031.db2.gz CPOUUJMKHNGWIM-OQLLNIDSSA-N 0 0 353.175 3.665 50 30 FHEARN CO[C@@H]1CCCN(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)C1 ZINC000096122466 571334588 /nfs/dbraw/zinc/33/45/88/571334588.db2.gz UMTKDOHWQRAILG-OAQYLSRUSA-N 0 0 363.461 3.745 50 30 FHEARN CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccccc3)ccc2C#N)CC1 ZINC000022115455 571336433 /nfs/dbraw/zinc/33/64/33/571336433.db2.gz FAVLDSAQVNLZMJ-UHFFFAOYSA-N 0 0 364.449 3.677 50 30 FHEARN N#Cc1ccc(OCC(=O)Nc2c(F)cc(Br)cc2F)cc1 ZINC000131871578 571341586 /nfs/dbraw/zinc/34/15/86/571341586.db2.gz ZYLJULVZJPSVIW-UHFFFAOYSA-N 0 0 367.149 3.616 50 30 FHEARN C=CCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 ZINC000003999922 571353728 /nfs/dbraw/zinc/35/37/28/571353728.db2.gz JTQSRNNMFYLABS-YAOQVBECSA-N 0 0 360.457 3.889 50 30 biogenic FHEARN O=C(CC1=C(c2ccccc2)CCC1=O)NCc1[nH]nc2c1CCCCC2 ZINC000670459575 571355984 /nfs/dbraw/zinc/35/59/84/571355984.db2.gz KLGDQQOWNRMXNE-UHFFFAOYSA-N 0 0 363.461 3.502 50 30 FHEARN CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccco1 ZINC000229742313 571357377 /nfs/dbraw/zinc/35/73/77/571357377.db2.gz OUCQPFCLFGZBQQ-NJYVYQBISA-N 0 0 353.418 3.678 50 30 FHEARN Cc1cc(O)c2c(CSc3nc(C)cc(C)c3C#N)cc(=O)oc2c1 ZINC000032502251 571357749 /nfs/dbraw/zinc/35/77/49/571357749.db2.gz XSSDJIYKZAYNHM-UHFFFAOYSA-N 0 0 352.415 3.983 50 30 FHEARN N#Cc1ccccc1/C=C\C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000050590481 931342496 /nfs/dbraw/zinc/34/24/96/931342496.db2.gz OOHMWAADHZSAJO-JYBLJSLWSA-N 0 0 356.429 3.854 50 30 FHEARN N#Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000015597148 942264803 /nfs/dbraw/zinc/26/48/03/942264803.db2.gz WQSNVOGHOMQQSP-QPGLYAHGSA-N 0 0 360.413 3.706 50 30 FHEARN COc1cc(/C=C/C(=O)Nc2sc(C)c(C)c2C#N)cc(OC)c1OC ZINC000014108638 942503936 /nfs/dbraw/zinc/50/39/36/942503936.db2.gz XZJRAIPPPLJSTI-VOTSOKGWSA-N 0 0 372.446 3.914 50 30 FHEARN CC(C)C(=O)N1CCC(C(=O)Nc2ncc(-c3ccccc3)cn2)CC1 ZINC000330103708 944328679 /nfs/dbraw/zinc/32/86/79/944328679.db2.gz HBIHREZFNQTKLW-UHFFFAOYSA-N 0 0 352.438 3.626 50 30 FHEARN Cc1cc(C#N)ccc1C(=O)N1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000331888834 944961622 /nfs/dbraw/zinc/96/16/22/944961622.db2.gz IOMRRWSIANCFBD-FUHWJXTLSA-N 0 0 374.362 3.834 50 30 FHEARN COc1ccc([C@H](NC(=O)N2CCO[C@H](C(C)(C)C)C2)C(F)(F)F)cc1 ZINC000331309804 947383457 /nfs/dbraw/zinc/38/34/57/947383457.db2.gz GIZLHPPVPLNJAV-GJZGRUSLSA-N 0 0 374.403 3.960 50 30 FHEARN COc1cc(/C=N/n2c(SC)nnc2-c2ccccc2)c(Cl)cc1O ZINC000001122483 219373889 /nfs/dbraw/zinc/37/38/89/219373889.db2.gz CYSVTPLAYHBIJS-VXLYETTFSA-N 0 0 374.853 3.917 50 30 FHEARN C=CCn1cc(-c2c(-c3ccccc3)ncn2Cc2nccn2CC)cn1 ZINC000065488199 203823215 /nfs/dbraw/zinc/82/32/15/203823215.db2.gz ZPTWOTNDMNYUSF-UHFFFAOYSA-N 0 0 358.449 3.864 50 30 FHEARN C=C(C)Cn1c2sc(C)c(CC)c2c2nc(-c3ccncc3)nn2c1=O ZINC000031820333 203872342 /nfs/dbraw/zinc/87/23/42/203872342.db2.gz NDIYYCJSRZPZBJ-UHFFFAOYSA-N 0 0 365.462 3.615 50 30 FHEARN CCOc1ccc2c(c1)O/C(=C\c1ccc(OC)c(OC)c1OC)C2=O ZINC000005906372 203921288 /nfs/dbraw/zinc/92/12/88/203921288.db2.gz OEJCWRCKTOOIMR-YVLHZVERSA-N 0 0 356.374 3.727 50 30 biogenic FHEARN CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000078619945 203923498 /nfs/dbraw/zinc/92/34/98/203923498.db2.gz MVZCTHVFKWFLAO-CYBMUJFWSA-N 0 0 355.360 3.998 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000000861751 203959024 /nfs/dbraw/zinc/95/90/24/203959024.db2.gz LCNHMTWIHYLEKA-ICSRJNTNSA-N 0 0 365.385 3.914 50 30 aggregator FHEARN CCOc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)ccc1O ZINC000000780233 203949757 /nfs/dbraw/zinc/94/97/57/203949757.db2.gz YMHXBOOUUICZKC-UHFFFAOYSA-N 0 0 367.445 3.834 50 30 FHEARN N#Cc1ccccc1S(=O)(=O)c1ccccc1C(=O)Nc1ccccc1 ZINC000001382503 204002031 /nfs/dbraw/zinc/00/20/31/204002031.db2.gz JXZYOOLJGBAWAZ-UHFFFAOYSA-N 0 0 362.410 3.643 50 30 FHEARN CC(C)OC(=O)c1ccccc1Oc1cc(C#N)c(C#N)cc1[N+](=O)[O-] ZINC000001427049 204006308 /nfs/dbraw/zinc/00/63/08/204006308.db2.gz DCEVTTBQDKAKNB-UHFFFAOYSA-N 0 0 351.318 3.696 50 30 FHEARN COc1ccc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)cc1OC ZINC000001469654 204009737 /nfs/dbraw/zinc/00/97/37/204009737.db2.gz DYPICLQJQHHBII-BOPFTXTBSA-N 0 0 354.431 3.904 50 30 FHEARN Cc1sc2ncnc(-n3ncc(C#N)c3N)c2c1-c1ccc(Cl)cc1 ZINC000002889078 204066086 /nfs/dbraw/zinc/06/60/86/204066086.db2.gz MBDWRQVPGVTQHI-UHFFFAOYSA-N 0 0 366.837 3.960 50 30 FHEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1CCc1ccc(Cl)cc1 ZINC000003320283 204091172 /nfs/dbraw/zinc/09/11/72/204091172.db2.gz UPRVDZIBZBYTNA-UHFFFAOYSA-N 0 0 369.877 3.704 50 30 FHEARN N#Cc1c(NC(=O)Cc2ccc([N+](=O)[O-])cc2)sc2c1CCCCC2 ZINC000002736889 204053388 /nfs/dbraw/zinc/05/33/88/204053388.db2.gz QAEONMZBBNFJGK-UHFFFAOYSA-N 0 0 355.419 3.978 50 30 FHEARN CCOc1cc(C#N)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002767227 204056045 /nfs/dbraw/zinc/05/60/45/204056045.db2.gz BTFKUJPWXACZCM-UHFFFAOYSA-N 0 0 364.323 3.993 50 30 FHEARN N#Cc1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)F ZINC000002784664 204057400 /nfs/dbraw/zinc/05/74/00/204057400.db2.gz KISWGZAJHNTKJQ-NEPJUHHUSA-N 0 0 353.170 3.880 50 30 FHEARN Cc1sc(NC(=O)c2ccn(COc3ccccc3F)n2)c(C#N)c1C ZINC000002797931 204058456 /nfs/dbraw/zinc/05/84/56/204058456.db2.gz QDOUWPCEVWGBJS-UHFFFAOYSA-N 0 0 370.409 3.861 50 30 FHEARN COc1ccc([C@H]2C3=C(NC4=C2C(=O)CCC4)c2ccccc2C3=O)cc1 ZINC000003893812 204112571 /nfs/dbraw/zinc/11/25/71/204112571.db2.gz GJSZIRGDKVNMQC-LJQANCHMSA-N 0 0 357.409 3.997 50 30 FHEARN O=c1c(Cl)c(NN=Cc2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000004039492 204117939 /nfs/dbraw/zinc/11/79/39/204117939.db2.gz ARIPLIRHYNVNGN-KEBDBYFISA-N 0 0 359.216 3.985 50 30 FHEARN Cc1nc2ccccc2c(S[C@H](C)C(=O)NC2(C#N)CCCCC2)n1 ZINC000004240889 204128411 /nfs/dbraw/zinc/12/84/11/204128411.db2.gz LEMIZWPXHJGLTG-CYBMUJFWSA-N 0 0 354.479 3.762 50 30 FHEARN N#Cc1ccc(NC(=O)COC(=O)c2ccc3ncsc3c2)cc1Cl ZINC000003453000 204102004 /nfs/dbraw/zinc/10/20/04/204102004.db2.gz RHVDGKKHAYWSFJ-UHFFFAOYSA-N 0 0 371.805 3.617 50 30 FHEARN Oc1cc(O)c(C=NNc2ccc3ccccc3n2)cc1Br ZINC000004688457 204155586 /nfs/dbraw/zinc/15/55/86/204155586.db2.gz SFWFIWURWQPPIH-GIJQJNRQSA-N 0 0 358.195 3.855 50 30 FHEARN O=C1C[C@H](c2ccc(F)cc2)CC2=Nc3ncnn3[C@@H](c3ccccc3)C12 ZINC000004776968 204162719 /nfs/dbraw/zinc/16/27/19/204162719.db2.gz MXECBZLIJPOJEN-QRWLVFNGSA-N 0 0 360.392 3.833 50 30 FHEARN Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2ccccn2)cc1 ZINC000004811882 204165926 /nfs/dbraw/zinc/16/59/26/204165926.db2.gz GIMLPRYIRCIURM-KGENOOAVSA-N 0 0 351.431 3.941 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccc(N(C)C)cc1 ZINC000004821542 204166419 /nfs/dbraw/zinc/16/64/19/204166419.db2.gz VUXJHYQFPWFCAW-XLIONFOSSA-N 0 0 353.418 3.665 50 30 FHEARN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000004857317 204170329 /nfs/dbraw/zinc/17/03/29/204170329.db2.gz UAHLQBDVTZIETF-APPDUMDISA-N 0 0 354.431 3.666 50 30 FHEARN CSC(=NS(=O)(=O)c1ccccc1)NCCc1ccc(Cl)cc1 ZINC000004323225 204133363 /nfs/dbraw/zinc/13/33/63/204133363.db2.gz ORQRZOGDZWCIBZ-UHFFFAOYSA-N 0 0 368.911 3.580 50 30 FHEARN N#Cc1c(N)n2nc(N)c(/N=N/c3ccccc3)c2nc1-c1ccccc1 ZINC000004419220 204139027 /nfs/dbraw/zinc/13/90/27/204139027.db2.gz ZCDOMSOHPAWKJI-OCOZRVBESA-N 0 0 354.377 3.848 50 30 FHEARN Cc1cc(SCC(=O)NC(C)(C)C)n2c3ccccc3nc2c1C#N ZINC000004485065 204141672 /nfs/dbraw/zinc/14/16/72/204141672.db2.gz LHRQJJIJKJVTDI-UHFFFAOYSA-N 0 0 352.463 3.674 50 30 FHEARN CCC(=O)NC1=C(Nc2cccc(SC)c2)C(=O)c2ccccc2C1=O ZINC000005523914 204213995 /nfs/dbraw/zinc/21/39/95/204213995.db2.gz UUTUZSVTYYWFSC-UHFFFAOYSA-N 0 0 366.442 3.637 50 30 FHEARN CCCC(=O)OCCNc1nc(SC)nc(-c2ccc(C)cc2)c1C#N ZINC000005607437 204217548 /nfs/dbraw/zinc/21/75/48/204217548.db2.gz CGZMHJIBJAIBMY-UHFFFAOYSA-N 0 0 370.478 3.801 50 30 FHEARN COc1ccccc1/C=N/N=C1\S[C@H](C)C(=O)N1Cc1ccccc1 ZINC000004936529 204177933 /nfs/dbraw/zinc/17/79/33/204177933.db2.gz PPEZDBPTJBHWJX-WWUDWGLGSA-N 0 0 353.447 3.549 50 30 FHEARN Cc1cccc(N2C(=O)[C@@H](Oc3ccc(Cl)cc3Cl)[C@H]2C=O)c1C ZINC000004992259 204182932 /nfs/dbraw/zinc/18/29/32/204182932.db2.gz YLVVRXAFZDBZOE-WBVHZDCISA-N 0 0 364.228 3.972 50 30 aggregator FHEARN Cc1ccccc1C[C@H]1S/C(=N\N=C\c2ccccc2Cl)NC1=O ZINC000005648410 204219326 /nfs/dbraw/zinc/21/93/26/204219326.db2.gz QWABAKKYTBHWBH-MBTVCVBTSA-N 0 0 357.866 3.813 50 30 FHEARN CN(C)/C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000005151422 204194664 /nfs/dbraw/zinc/19/46/64/204194664.db2.gz QRIPSMJYNDDUNL-OBGWFSINSA-N 0 0 357.262 3.691 50 30 FHEARN Cc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4O)CC3=Nc3ncnn32)cc1 ZINC000005203745 204197453 /nfs/dbraw/zinc/19/74/53/204197453.db2.gz RIDQMOCZEPJQEZ-YCRPNKLZSA-N 0 0 372.428 3.708 50 30 FHEARN COC(=O)/C=C1\S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O ZINC000005243213 204198557 /nfs/dbraw/zinc/19/85/57/204198557.db2.gz BWMVTZCRZJUGCI-ZZCYQEOYSA-N 0 0 352.415 3.507 50 30 FHEARN CCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)cc1OC ZINC000005788543 204224715 /nfs/dbraw/zinc/22/47/15/204224715.db2.gz NOPWGPSFEWLXIQ-IBGZPJMESA-N 0 0 366.417 3.605 50 30 FHEARN C=CCNc1nnc(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)s1 ZINC000005784284 204224974 /nfs/dbraw/zinc/22/49/74/204224974.db2.gz ZTEQJCSCUKDFAI-CYBMUJFWSA-N 0 0 373.507 3.563 50 30 FHEARN COc1cc(-c2cc3nc4ccccc4n3c(N)c2C#N)cc(OC)c1OC ZINC000005827039 204227383 /nfs/dbraw/zinc/22/73/83/204227383.db2.gz IJKHKTVWSJFHPW-UHFFFAOYSA-N 0 0 374.400 3.634 50 30 FHEARN CC(C)c1ccc(C[C@@H]2S/C(=N\N=C\c3ccccc3O)NC2=O)cc1 ZINC000005836455 204227425 /nfs/dbraw/zinc/22/74/25/204227425.db2.gz GFUFMIZBTAOYRK-IUOVYFEOSA-N 0 0 367.474 3.680 50 30 FHEARN COCCn1c(C)cc(C2=NN/C(=N\c3ccc(F)cc3)SC2)c1C ZINC000005859492 204227787 /nfs/dbraw/zinc/22/77/87/204227787.db2.gz NDPRWJYTBHWAPO-UHFFFAOYSA-N 0 0 360.458 3.619 50 30 FHEARN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1ncnc2sc3c(c21)CCC3 ZINC000006112719 204236947 /nfs/dbraw/zinc/23/69/47/204236947.db2.gz JYCAGUNQAAVLQC-ADLMAVQZSA-N 0 0 374.535 3.715 50 30 FHEARN O=S(=O)(N=C(Nc1cccnc1Cl)c1ccccc1)c1ccccc1 ZINC000006140594 204238620 /nfs/dbraw/zinc/23/86/20/204238620.db2.gz BMEACOBQSQPOHW-UHFFFAOYSA-N 0 0 371.849 3.983 50 30 FHEARN N#Cc1ccsc1NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000006238339 204242352 /nfs/dbraw/zinc/24/23/52/204242352.db2.gz FDKWUYBSDHZEMA-UHFFFAOYSA-N 0 0 358.463 3.708 50 30 FHEARN O=S(=O)(N/N=C/c1ccc2ccccc2c1O)c1ccc(Cl)cc1 ZINC000006342387 204244489 /nfs/dbraw/zinc/24/44/89/204244489.db2.gz CESJWIDORBGBBK-YBFXNURJSA-N 0 0 360.822 3.511 50 30 FHEARN N#CCCN(C(=O)COC(=O)/C=C\c1ccc(Cl)cc1)c1ccccc1 ZINC000006452728 204247970 /nfs/dbraw/zinc/24/79/70/204247970.db2.gz GDQXVWNPFLUGQS-XFXZXTDPSA-N 0 0 368.820 3.843 50 30 FHEARN C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1ccc(C#N)cc1 ZINC000006462866 204250075 /nfs/dbraw/zinc/25/00/75/204250075.db2.gz KXMAQLKCFDBYHO-JTQLQIEISA-N 0 0 356.432 3.789 50 30 FHEARN Cc1cc(I)ccc1NC(=O)c1ccc(C#N)cc1 ZINC000006566602 204253871 /nfs/dbraw/zinc/25/38/71/204253871.db2.gz YAQCZAGYFDDXOM-UHFFFAOYSA-N 0 0 362.170 3.724 50 30 FHEARN Cc1ccc(NC(=O)C=C(N)NOC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000006550705 204253886 /nfs/dbraw/zinc/25/38/86/204253886.db2.gz RZMUYFMMFYVPOO-UHFFFAOYSA-N 0 0 374.828 3.806 50 30 FHEARN CC(=O)C1=C(c2ccc(Cl)cc2)NC(=O)N[C@@H]1c1ccc(C#N)cc1 ZINC000006549495 204254026 /nfs/dbraw/zinc/25/40/26/204254026.db2.gz PRCFYCOAYKOBDT-QGZVFWFLSA-N 0 0 351.793 3.566 50 30 FHEARN N#Cc1ccsc1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1 ZINC000006602495 204255592 /nfs/dbraw/zinc/25/55/92/204255592.db2.gz OLOVQAJLCSUUBK-UHFFFAOYSA-N 0 0 355.202 3.722 50 30 FHEARN CN(C)C(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000007359594 204294842 /nfs/dbraw/zinc/29/48/42/204294842.db2.gz REFAOSMAPINXAQ-UHFFFAOYSA-N 0 0 371.409 3.881 50 30 FHEARN COc1ccc(-n2c(N)c(C#N)c3c(c2=S)CO[C@H](C(C)C)C3)cc1 ZINC000006719169 204261584 /nfs/dbraw/zinc/26/15/84/204261584.db2.gz SMPARZVTDRUCFP-KRWDZBQOSA-N 0 0 355.463 3.767 50 30 FHEARN CCN(CC)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)cc1 ZINC000006721132 204262993 /nfs/dbraw/zinc/26/29/93/204262993.db2.gz UZNFHBFBVJEGNY-IBGZPJMESA-N 0 0 365.481 3.782 50 30 FHEARN COc1ccc(OC)c(-c2[nH]c3c(C#N)cnn3c2NC2CCCCC2)c1 ZINC000006768472 204268017 /nfs/dbraw/zinc/26/80/17/204268017.db2.gz FINGQNMXZCOAMK-UHFFFAOYSA-N 0 0 365.437 3.963 50 30 FHEARN Cc1[nH]c2ccccc2c1/C=N/NS(=O)(=O)c1ccc(CC(C)C)cc1 ZINC000006825059 204275102 /nfs/dbraw/zinc/27/51/02/204275102.db2.gz LMCALIIBEKAISJ-FYJGNVAPSA-N 0 0 369.490 3.987 50 30 FHEARN N#Cc1ccc(COC(=O)COc2ccc(F)cc2Br)cc1 ZINC000006889123 204279536 /nfs/dbraw/zinc/27/95/36/204279536.db2.gz SBZCAVZFQXDCPY-UHFFFAOYSA-N 0 0 364.170 3.582 50 30 FHEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@H](C)c1ccccc1Cl ZINC000007674074 204303008 /nfs/dbraw/zinc/30/30/08/204303008.db2.gz FILKACYGFXEBOX-CYBMUJFWSA-N 0 0 358.825 3.754 50 30 FHEARN CC(C)Nc1nnc(SCC(=O)Nc2c(C#N)oc3ccccc32)s1 ZINC000007698901 204303747 /nfs/dbraw/zinc/30/37/47/204303747.db2.gz ZMAHXJBGBHPUQQ-UHFFFAOYSA-N 0 0 373.463 3.707 50 30 FHEARN N#Cc1c(NC(=O)CN2CCC[C@H]2c2cccs2)sc2c1CCC2 ZINC000007990013 204313851 /nfs/dbraw/zinc/31/38/51/204313851.db2.gz OWKKXNBSNPMPJV-AWEZNQCLSA-N 0 0 357.504 3.946 50 30 FHEARN CCN(Cc1ccc(OC)c(F)c1)[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000008130939 204318880 /nfs/dbraw/zinc/31/88/80/204318880.db2.gz MQYABUDAACPFIB-AWEZNQCLSA-N 0 0 355.413 3.555 50 30 FHEARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)N[C@H](C)CCC(C)C ZINC000008687974 204338318 /nfs/dbraw/zinc/33/83/18/204338318.db2.gz XJIXBCUCRBQBJT-CQSZACIVSA-N 0 0 371.572 3.768 50 30 FHEARN Cc1cccc(NC(=S)N/N=C2\CC(C)(C)Oc3ccc(O)cc32)c1 ZINC000008690926 204339105 /nfs/dbraw/zinc/33/91/05/204339105.db2.gz VDFWUEVBHWGKHR-LTGZKZEYSA-N 0 0 355.463 3.952 50 30 FHEARN O=C(Nc1n[nH]c(SCc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000008855580 204347769 /nfs/dbraw/zinc/34/77/69/204347769.db2.gz BZTNSXUYXNGBJR-UHFFFAOYSA-N 0 0 355.379 3.642 50 30 FHEARN COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1OC ZINC000009691011 204378047 /nfs/dbraw/zinc/37/80/47/204378047.db2.gz UNHHECVSEQEUCM-GFCCVEGCSA-N 0 0 374.824 3.943 50 30 FHEARN CC(C)(C)[C@@H]1CCc2nc(SCC(N)=O)c(C#N)c(C(F)(F)F)c2C1 ZINC000009423406 204367334 /nfs/dbraw/zinc/36/73/34/204367334.db2.gz AKJIWBFPXHOQSG-SECBINFHSA-N 0 0 371.428 3.700 50 30 FHEARN NC(=O)[C@@]1(c2nc(-c3ccccc3)cs2)O[C@H]1c1ccc(Cl)cc1 ZINC000009419082 204367386 /nfs/dbraw/zinc/36/73/86/204367386.db2.gz MDXAJMCNTIDUHX-YJBOKZPZSA-N 0 0 356.834 3.916 50 30 FHEARN CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cccc(C#N)c1)O[C@@H](C)C2 ZINC000012564902 204475337 /nfs/dbraw/zinc/47/53/37/204475337.db2.gz OGDZWQFACILHGL-UONOGXRCSA-N 0 0 365.433 3.719 50 30 FHEARN CS(=O)(=O)N(Cc1ccc(Cl)cc1Cl)c1cccc(C#N)c1 ZINC000012731413 204488219 /nfs/dbraw/zinc/48/82/19/204488219.db2.gz JRHGQZWGCNYNET-UHFFFAOYSA-N 0 0 355.246 3.831 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(O)c1 ZINC000018141574 204660526 /nfs/dbraw/zinc/66/05/26/204660526.db2.gz IRSSDJFBLPUCMC-SFHVURJKSA-N 0 0 355.434 3.559 50 30 FHEARN O=[N+]([O-])c1cccc(-n2cccc2/C=N\NC(=S)Nc2ccccc2)c1 ZINC000030846436 204912718 /nfs/dbraw/zinc/91/27/18/204912718.db2.gz ORWQAAAADPKHTB-UYRXBGFRSA-N 0 0 365.418 3.706 50 30 FHEARN COc1ccc(/N=C2/c3ccccc3N(CN3CCC[C@@H](C)C3)C2=O)cc1 ZINC000036274439 205008309 /nfs/dbraw/zinc/00/83/09/205008309.db2.gz JACZQYQYJWAVTG-DLTPIXJPSA-N 0 0 363.461 3.852 50 30 FHEARN N#Cc1cc(NC(=O)Cc2cccc(F)c2)ccc1OCC(F)(F)F ZINC000036393094 205014152 /nfs/dbraw/zinc/01/41/52/205014152.db2.gz QCQGQPMPJSIXEH-UHFFFAOYSA-N 0 0 352.287 3.820 50 30 FHEARN COc1cccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)c1 ZINC000036394454 205014954 /nfs/dbraw/zinc/01/49/54/205014954.db2.gz FJPUMNUKKZQYHS-UHFFFAOYSA-N 0 0 350.296 3.760 50 30 FHEARN CCCOc1ccc(C(F)(F)F)cc1NCC(=O)N[C@](C)(C#N)C(C)C ZINC000036638387 205019309 /nfs/dbraw/zinc/01/93/09/205019309.db2.gz NQWDYAAVQOVJQI-QGZVFWFLSA-N 0 0 371.403 3.961 50 30 FHEARN COc1cc(C#N)ccc1OCCCC(=O)N1c2ccccc2C[C@H]1C ZINC000040107365 205055300 /nfs/dbraw/zinc/05/53/00/205055300.db2.gz VGEYIZCGWIOLAL-OAHLLOKOSA-N 0 0 350.418 3.704 50 30 FHEARN C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2cccc(C#N)c2)C1=O ZINC000040116717 205057358 /nfs/dbraw/zinc/05/73/58/205057358.db2.gz NAFSPPRZRDBMFS-GOSISDBHSA-N 0 0 373.334 3.544 50 30 FHEARN C[C@H]1C[C@H]1c1ccc(CN(C(=O)COc2cccc(C#N)c2)C2CC2)o1 ZINC000045034490 205116085 /nfs/dbraw/zinc/11/60/85/205116085.db2.gz INRWUECPWDQWBI-IFXJQAMLSA-N 0 0 350.418 3.845 50 30 FHEARN COc1ccccc1-c1nc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)n[nH]1 ZINC000048362980 205160736 /nfs/dbraw/zinc/16/07/36/205160736.db2.gz ZTPZBMPJAFXGRB-OAHLLOKOSA-N 0 0 370.796 3.725 50 30 FHEARN COc1ccc(-n2cnc3c2NC(=O)C[C@H]3c2ccc(C#N)cc2)c(OC)c1 ZINC000049546048 205173705 /nfs/dbraw/zinc/17/37/05/205173705.db2.gz KNGLWPFMPRHMCE-INIZCTEOSA-N 0 0 374.400 3.885 50 30 FHEARN CCOc1cc(/C=C\C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OC ZINC000050647878 205179216 /nfs/dbraw/zinc/17/92/16/205179216.db2.gz MWPNRWCZBBQMMZ-DAXSKMNVSA-N 0 0 372.808 3.813 50 30 FHEARN N#Cc1ccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 ZINC000051364488 205182112 /nfs/dbraw/zinc/18/21/12/205182112.db2.gz WEJQKFKYEOGSPU-GOSISDBHSA-N 0 0 355.397 3.717 50 30 FHEARN CCN(C(=O)NCc1ccc(OC)c(OC)c1)[C@H](C)c1ccc(C#N)cc1 ZINC000053733964 205195567 /nfs/dbraw/zinc/19/55/67/205195567.db2.gz UENPXYSCJYKOJQ-OAHLLOKOSA-N 0 0 367.449 3.868 50 30 FHEARN N#Cc1cccnc1Oc1ccccc1NCC(=O)N1CCCCCCC1 ZINC000055844390 205224060 /nfs/dbraw/zinc/22/40/60/205224060.db2.gz NSRADUIWLBJIIS-UHFFFAOYSA-N 0 0 364.449 3.950 50 30 FHEARN COc1nc(C(=O)Nc2nc(C)c(SCC#N)s2)cc2ccccc21 ZINC000058218290 205264105 /nfs/dbraw/zinc/26/41/05/205264105.db2.gz MSLZANFUZGGDAG-UHFFFAOYSA-N 0 0 370.459 3.876 50 30 FHEARN Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1ccc(C#N)cc1 ZINC000058247474 205267402 /nfs/dbraw/zinc/26/74/02/205267402.db2.gz OXBJUBRDHPWQAP-UHFFFAOYSA-N 0 0 352.344 3.642 50 30 FHEARN CCN(C(C)=O)c1nc(/C=C2/COc3cc(C)cc(C)c3C2=O)cs1 ZINC000063411738 205292489 /nfs/dbraw/zinc/29/24/89/205292489.db2.gz ASNZAVTWPWXYPP-ZSOIEALJSA-N 0 0 356.447 3.791 50 30 FHEARN Cc1ccc(F)c(/N=C2\NN=C(c3ccc4c(c3)OCCO4)CS2)c1 ZINC000063311581 205293167 /nfs/dbraw/zinc/29/31/67/205293167.db2.gz APOAVIHQDWVJEO-UHFFFAOYSA-N 0 0 357.410 3.634 50 30 FHEARN CC(C)c1noc(-c2ccc(CNC(=O)c3cccc(C#N)c3)s2)n1 ZINC000065196036 205322753 /nfs/dbraw/zinc/32/27/53/205322753.db2.gz WHJFSPVQRXNXOM-UHFFFAOYSA-N 0 0 352.419 3.723 50 30 FHEARN N#Cc1ccc(CN2c3ccccc3[C@](O)(c3cccc(Cl)c3)C2=O)cc1 ZINC000065155482 205320045 /nfs/dbraw/zinc/32/00/45/205320045.db2.gz BWAWFLINGYOZJX-JOCHJYFZSA-N 0 0 374.827 3.994 50 30 FHEARN N#Cc1cccc(Oc2ccc(NC(=O)NCCCn3cccn3)cc2)c1 ZINC000066953385 205367220 /nfs/dbraw/zinc/36/72/20/205367220.db2.gz VSZXYAWWAJWDTG-UHFFFAOYSA-N 0 0 361.405 3.759 50 30 FHEARN Cc1noc2nc(-c3ccccc3F)cc(C(=O)N(C)C3(C#N)CCC3)c12 ZINC000067683349 205381288 /nfs/dbraw/zinc/38/12/88/205381288.db2.gz HJFCKMCEKMQWLI-UHFFFAOYSA-N 0 0 364.380 3.856 50 30 FHEARN N#Cc1ccc(-n2cccc2-c2cc(-c3ccc[nH]3)nc(N)c2C#N)cc1 ZINC000071767636 205445956 /nfs/dbraw/zinc/44/59/56/205445956.db2.gz VFKKLLLRZFFYAK-UHFFFAOYSA-N 0 0 350.385 3.860 50 30 FHEARN C[C@]1(c2ccc(-c3ccc(Br)cc3)cc2)O[C@H](O)C=CC1=O ZINC000071769384 205446567 /nfs/dbraw/zinc/44/65/67/205446567.db2.gz SRVMANVGDMJQHJ-ZWKOTPCHSA-N 0 0 359.219 3.805 50 30 FHEARN Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc([C@H]2CCCO2)s1 ZINC000071738871 205436288 /nfs/dbraw/zinc/43/62/88/205436288.db2.gz XIGILWXZOSRBQM-CQSZACIVSA-N 0 0 365.462 3.824 50 30 FHEARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3ccccc3F)C12 ZINC000018197373 220227501 /nfs/dbraw/zinc/22/75/01/220227501.db2.gz UYKUWYUJIRPQRY-ADLMAVQZSA-N 0 0 366.421 3.894 50 30 FHEARN Cc1ccc(N2C(=O)C[C@H](Sc3nc(C4CC4)ccc3C#N)C2=O)cc1 ZINC000018197707 220227727 /nfs/dbraw/zinc/22/77/27/220227727.db2.gz PGSIDRWXJUSZHW-KRWDZBQOSA-N 0 0 363.442 3.563 50 30 FHEARN Cc1cccc(C)c1-n1nnnc1C(C)(C)/N=C/c1ccccc1[N+](=O)[O-] ZINC000100495101 205944417 /nfs/dbraw/zinc/94/44/17/205944417.db2.gz YFHKBFWRYLSHBW-UDWIEESQSA-N 0 0 364.409 3.542 50 30 FHEARN CC1=CC(=O)C(=C2C[C@@H](c3ccccc3O)Nc3ccccc3N2)C(=O)O1 ZINC000102442724 205973538 /nfs/dbraw/zinc/97/35/38/205973538.db2.gz XDOYWLNHXJEQNF-TXCMAPRMSA-N 0 0 362.385 3.645 50 30 FHEARN COc1cc(C#N)ccc1OCC(=O)c1ccc(NC(C)=O)c(SC)c1 ZINC000043242000 206018212 /nfs/dbraw/zinc/01/82/12/206018212.db2.gz BZFATVKVDRWILC-UHFFFAOYSA-N 0 0 370.430 3.509 50 30 FHEARN C=CCNC(=O)[C@H]1CC[C@H](c2cccc(C)c2)N(C(=O)C2CCCC2)C1 ZINC000037546077 206055597 /nfs/dbraw/zinc/05/55/97/206055597.db2.gz BALCCLSDOKFIJD-VQTJNVASSA-N 0 0 354.494 3.767 50 30 FHEARN C=CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)N1CCCCC1 ZINC000044085685 206063700 /nfs/dbraw/zinc/06/37/00/206063700.db2.gz JNZWEFMMJYPLJG-UHFFFAOYSA-N 0 0 371.506 3.849 50 30 FHEARN N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 ZINC000048313958 206082659 /nfs/dbraw/zinc/08/26/59/206082659.db2.gz IGGAWUMMLISASC-GOSISDBHSA-N 0 0 373.378 3.728 50 30 FHEARN Cc1nc(NC(=O)c2cnc([C@H]3CCCO3)s2)sc1SCC#N ZINC000119530242 206105539 /nfs/dbraw/zinc/10/55/39/206105539.db2.gz AZMKMZZCMNIXKM-SECBINFHSA-N 0 0 366.493 3.628 50 30 FHEARN CCCCNC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N ZINC000003450627 206161816 /nfs/dbraw/zinc/16/18/16/206161816.db2.gz CNFODBAKZAVFME-UHFFFAOYSA-N 0 0 368.458 3.783 50 30 FHEARN C=CCn1c(SCC(=O)NCc2ccccc2)nnc1C1CCCCC1 ZINC000003485645 206162561 /nfs/dbraw/zinc/16/25/61/206162561.db2.gz DZWZWDUUGCDVMI-UHFFFAOYSA-N 0 0 370.522 3.920 50 30 FHEARN Cc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4O)CC3=Nc3ncnn32)c1 ZINC000005270439 206192476 /nfs/dbraw/zinc/19/24/76/206192476.db2.gz OTDNNQDPFNZFTC-YCRPNKLZSA-N 0 0 372.428 3.708 50 30 FHEARN CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc(N2CCCC2)cc1 ZINC000007189314 206207132 /nfs/dbraw/zinc/20/71/32/206207132.db2.gz CHKWGKJJMXJJNG-UHFFFAOYSA-N 0 0 365.433 3.575 50 30 FHEARN Cc1ccc(-c2nc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)n[nH]2)cc1 ZINC000005867265 206199383 /nfs/dbraw/zinc/19/93/83/206199383.db2.gz VTYFQSZCJCMRHL-ZDUSSCGKSA-N 0 0 363.446 3.771 50 30 FHEARN O=C1c2ccccc2N[C@H](c2ccc(O)cc2)N1/N=C/c1ccc(O)cc1 ZINC000100587064 206224197 /nfs/dbraw/zinc/22/41/97/206224197.db2.gz YTXHYKSCSIKERP-BOURKTIISA-N 0 0 359.385 3.698 50 30 FHEARN Cn1c2ccccc2s/c1=N/N=C/c1cc(Br)ccc1O ZINC000100812892 206225291 /nfs/dbraw/zinc/22/52/91/206225291.db2.gz OMKHBFPPMYCSQH-LMVCELQXSA-N 0 0 362.252 3.643 50 30 FHEARN Cc1cc(C(=O)Cn2c(C)nc(C#N)c2C#N)c(C)n1-c1ccccc1C ZINC000155248760 206220477 /nfs/dbraw/zinc/22/04/77/206220477.db2.gz NTTBMPYCOWDKHX-UHFFFAOYSA-N 0 0 357.417 3.534 50 30 FHEARN Cc1nc(C)c(Cl)c(OCC#CI)c1Cl ZINC000005297371 206239179 /nfs/dbraw/zinc/23/91/79/206239179.db2.gz INRKEEAFMHKKKB-UHFFFAOYSA-N 0 0 355.990 3.780 50 30 FHEARN C=CCNC(=S)N=NCc1ccc(OCc2ccc(C)cc2)c(OC)c1 ZINC000012374175 206290814 /nfs/dbraw/zinc/29/08/14/206290814.db2.gz QMIATNNBUGHDBG-XKZIYDEJSA-N 0 0 369.490 3.978 50 30 FHEARN O=C1C[C@@H](c2ccco2)CC2=Nc3nonc3N[C@H](c3ccccc3F)C12 ZINC000012389094 206290543 /nfs/dbraw/zinc/29/05/43/206290543.db2.gz TVHQTECTFYYQIP-DYZYQPBXSA-N 0 0 366.352 3.781 50 30 FHEARN O=C1C[C@H](c2ccco2)CC2=Nc3nonc3N[C@H](c3ccccc3F)C12 ZINC000012389096 206291035 /nfs/dbraw/zinc/29/10/35/206291035.db2.gz TVHQTECTFYYQIP-BMLIUANNSA-N 0 0 366.352 3.781 50 30 FHEARN N#Cc1ccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000015542290 206315428 /nfs/dbraw/zinc/31/54/28/206315428.db2.gz XIJMFWBCTGNZGJ-OAQYLSRUSA-N 0 0 369.424 3.538 50 30 FHEARN N#Cc1ccc(OCCOC(=O)c2cc(F)ccc2Br)cc1 ZINC000018966303 206324154 /nfs/dbraw/zinc/32/41/54/206324154.db2.gz WWSDZWZUCKVTHZ-UHFFFAOYSA-N 0 0 364.170 3.696 50 30 FHEARN O=C1CCCC2=C1C(c1ccc(OC(F)F)cc1)C1=C(CCCC1=O)N2 ZINC000019863593 206328569 /nfs/dbraw/zinc/32/85/69/206328569.db2.gz YNZFJFWJBIWLSX-UHFFFAOYSA-N 0 0 359.372 3.989 50 30 FHEARN CC(=NC(=S)Nc1ccc(C)cc1)NS(=O)(=O)c1ccc(C)cc1 ZINC000013638359 206304554 /nfs/dbraw/zinc/30/45/54/206304554.db2.gz HHILCKLECZUKQQ-UHFFFAOYSA-N 0 0 361.492 3.618 50 30 FHEARN COc1cc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)ccc1O ZINC000217916582 206365897 /nfs/dbraw/zinc/36/58/97/206365897.db2.gz PCJMFYKBTYEPKG-ZDUSSCGKSA-N 0 0 366.369 3.711 50 30 FHEARN C/C(=N\N1CCN(Cc2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000020190671 220318347 /nfs/dbraw/zinc/31/83/47/220318347.db2.gz ICAFQYJYPKANBZ-RCCKNPSSSA-N 0 0 372.856 3.790 50 30 FHEARN C#CCN1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c32)CC1 ZINC000012944354 533158784 /nfs/dbraw/zinc/15/87/84/533158784.db2.gz RMZUGBOESUQWPR-UHFFFAOYSA-N 0 0 368.893 3.767 50 30 FHEARN Cc1ccc(-c2nc(-c3ccccc3)nc(N3CCN(C)CC3)c2C#N)cc1 ZINC000003104899 132384749 /nfs/dbraw/zinc/38/47/49/132384749.db2.gz CBEREADEJCKPHF-UHFFFAOYSA-N 0 0 369.472 3.743 50 30 FHEARN N#Cc1cccnc1N1CCC(CNC(=O)c2cccc3ccccc32)CC1 ZINC000070929174 136138597 /nfs/dbraw/zinc/13/85/97/136138597.db2.gz XSROGSIIIMPPEH-UHFFFAOYSA-N 0 0 370.456 3.753 50 30 FHEARN CC1(C)[C@@H]2CC[C@@]1(C)C(=O)/C2=C/c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000103807676 222344120 /nfs/dbraw/zinc/34/41/20/222344120.db2.gz ZEWUYNOYYXDWTO-GPYFYPFSSA-N 0 0 373.518 3.880 50 30 FHEARN C/C(=N\OCO/N=C(/C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000004738305 263336332 /nfs/dbraw/zinc/33/63/32/263336332.db2.gz TYOXZLKKJOJGNY-MGYAYREDSA-N 0 0 372.337 3.642 50 30 FHEARN C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1cccc(F)c1 ZINC000006719454 263346474 /nfs/dbraw/zinc/34/64/74/263346474.db2.gz VHUDCTFWAIVCJQ-UHFFFAOYSA-N 0 0 367.380 3.713 50 30 FHEARN C=CCn1c(S[C@@H](C(N)=O)c2ccccc2)nnc1C1CCCCC1 ZINC000008983222 263358246 /nfs/dbraw/zinc/35/82/46/263358246.db2.gz SYLGAWIHVUVSTL-MRXNPFEDSA-N 0 0 356.495 3.831 50 30 FHEARN Cc1noc(C)c1COc1ccc(CC(=O)NCC#Cc2ccccc2)cc1 ZINC000022416875 263385988 /nfs/dbraw/zinc/38/59/88/263385988.db2.gz CPKMZCHMHUMURK-UHFFFAOYSA-N 0 0 374.440 3.581 50 30 FHEARN C#CCN(CC=C)C(=O)c1cc(COc2cccc(C(F)(F)F)c2)on1 ZINC000014973952 518258126 /nfs/dbraw/zinc/25/81/26/518258126.db2.gz ZVKQEBULNTUFEJ-UHFFFAOYSA-N 0 0 364.323 3.534 50 30 FHEARN C/C(Cn1nnc2ccccc21)=N\OC(=O)c1cc(F)c(F)cc1Cl ZINC000004492258 518476292 /nfs/dbraw/zinc/47/62/92/518476292.db2.gz JLFNMMWBXNYBBA-ZVBGSRNCSA-N 0 0 364.739 3.596 50 30 FHEARN C=C(C)CN(CC)C(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000008940940 518593173 /nfs/dbraw/zinc/59/31/73/518593173.db2.gz ODIAGUSWVJGGRO-UHFFFAOYSA-N 0 0 350.875 3.642 50 30 FHEARN C=C(C)COc1c(OC)cccc1-c1c2c(nc(N)c1C#N)[C@H](C)OC2 ZINC000071575328 518611858 /nfs/dbraw/zinc/61/18/58/518611858.db2.gz PLKMLKZURSWDQB-LBPRGKRZSA-N 0 0 351.406 3.757 50 30 FHEARN C=C(C)COc1cccc(C(=O)N2CCC[C@@H]2c2ccc(C(N)=O)s2)c1 ZINC000020450012 518618466 /nfs/dbraw/zinc/61/84/66/518618466.db2.gz QWALPDZFPJBEFG-MRXNPFEDSA-N 0 0 370.474 3.779 50 30 FHEARN CC(C)(C)N(Cc1ccccc1)C(=O)CON=C(N)c1ccc(Cl)cc1 ZINC000021585811 518702516 /nfs/dbraw/zinc/70/25/16/518702516.db2.gz SDTKLJHUQQTATI-UHFFFAOYSA-N 0 0 373.884 3.804 50 30 FHEARN C=CCN(Cc1ccccc1C)C(=O)[C@H](C)c1n[nH]c(=O)c2ccccc21 ZINC000055041943 518785432 /nfs/dbraw/zinc/78/54/32/518785432.db2.gz PJFYPOSLUPJVPQ-MRXNPFEDSA-N 0 0 361.445 3.550 50 30 FHEARN C=CCN(Cc1ccccc1F)C(=O)c1csc(-c2cnn(C)c2)n1 ZINC000058180146 518786323 /nfs/dbraw/zinc/78/63/23/518786323.db2.gz MPHHOAJOJFIOHF-UHFFFAOYSA-N 0 0 356.426 3.511 50 30 FHEARN C=CCN(Cc1cccs1)C(=O)c1nn(-c2ccccc2)cc1OC ZINC000057746211 518792426 /nfs/dbraw/zinc/79/24/26/518792426.db2.gz GVUWGPUIEQTJEZ-UHFFFAOYSA-N 0 0 353.447 3.771 50 30 FHEARN C=CCNc1nnc(SCC(=O)Nc2ccc(OC)c(Cl)c2)s1 ZINC000005785324 518966786 /nfs/dbraw/zinc/96/67/86/518966786.db2.gz XQBXMQAAVXYDJR-UHFFFAOYSA-N 0 0 370.887 3.529 50 30 FHEARN C=CCNc1nnc(S[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)s1 ZINC000005783894 518968476 /nfs/dbraw/zinc/96/84/76/518968476.db2.gz YJSPPVLCUVPNRS-NWDGAFQWSA-N 0 0 360.508 3.594 50 30 FHEARN C=CCc1ccc(OCCCCn2cnc3ccccc3c2=O)c(OC)c1 ZINC000002863114 519135215 /nfs/dbraw/zinc/13/52/15/519135215.db2.gz IBSGPNGKQLBWNI-UHFFFAOYSA-N 0 0 364.445 3.993 50 30 FHEARN C=CCc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)n2)c(OC)c1 ZINC000058157462 519135814 /nfs/dbraw/zinc/13/58/14/519135814.db2.gz CSHGZFJKQJACIM-UHFFFAOYSA-N 0 0 366.339 3.855 50 30 FHEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2F)nnc1-c1ccco1 ZINC000032579512 519215587 /nfs/dbraw/zinc/21/55/87/519215587.db2.gz TXWYOXYWUYQDIU-UHFFFAOYSA-N 0 0 372.425 3.902 50 30 FHEARN C=CCn1c2ccccc2nc1SCC(=O)Nc1ccc2c(c1)OCO2 ZINC000004492864 519268155 /nfs/dbraw/zinc/26/81/55/519268155.db2.gz DGGODMXRSUMNCD-UHFFFAOYSA-N 0 0 367.430 3.682 50 30 FHEARN C=CCn1c2ccccc2s/c1=N\C(=O)c1ccc(OC)c(OC)c1 ZINC000100874267 519268853 /nfs/dbraw/zinc/26/88/53/519268853.db2.gz ZNJHRABYZKZHIS-VXPUYCOJSA-N 0 0 354.431 3.647 50 30 FHEARN CC(=O)O[C@@H]1CC[C@@]2(/C=N/O)C(=CC[C@@H]3[C@H]4CCC(=O)[C@]4(C)CC[C@H]32)C1 ZINC000261490498 519757085 /nfs/dbraw/zinc/75/70/85/519757085.db2.gz JIIVOVFNPCJNDJ-GYHIWSQZSA-N 0 0 359.466 3.890 50 30 FHEARN CC(C)c1ccc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000003246760 519835301 /nfs/dbraw/zinc/83/53/01/519835301.db2.gz FNZPKCGNQCITCW-UHFFFAOYSA-N 0 0 350.418 3.914 50 30 FHEARN CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(CC)cc2)C1=O ZINC000101662416 520067973 /nfs/dbraw/zinc/06/79/73/520067973.db2.gz AGQXIEJCYFOSEN-OAQYLSRUSA-N 0 0 373.497 3.859 50 30 FHEARN CCCCCOc1ccc(C=NN2C(=S)N=NC2CCC)cc1OC ZINC000006067024 520250248 /nfs/dbraw/zinc/25/02/48/520250248.db2.gz GJSTUKBRFDXAEW-CPNJWEJPSA-N 0 0 362.499 3.979 50 30 FHEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(Cl)cc2)cc1 ZINC000016741701 520332021 /nfs/dbraw/zinc/33/20/21/520332021.db2.gz GRENSORZJLEQQE-KRWDZBQOSA-N 0 0 371.820 3.995 50 30 FHEARN CCCOc1ccccc1CN=Nc1nnc2c3ccccc3n(C)c2n1 ZINC000003962403 520472566 /nfs/dbraw/zinc/47/25/66/520472566.db2.gz RDFZKEVQHWYMLW-FYJGNVAPSA-N 0 0 360.421 3.751 50 30 FHEARN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2cccnc2)C1=O ZINC000008654049 520533542 /nfs/dbraw/zinc/53/35/42/520533542.db2.gz HSURQNIXGHCVFQ-LFIBNONCSA-N 0 0 366.442 3.934 50 30 FHEARN CCOC(=O)C1=C(Nc2ccccc2F)SC(=Cc2ccccn2)C1=O ZINC000036257950 520541488 /nfs/dbraw/zinc/54/14/88/520541488.db2.gz QXBARTPQUCGLKZ-RVDMUPIBSA-N 0 0 370.405 3.764 50 30 FHEARN CCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1 ZINC000002376355 520715288 /nfs/dbraw/zinc/71/52/88/520715288.db2.gz PENQXNIWKBQDRA-HNNXBMFYSA-N 0 0 352.438 3.571 50 30 FHEARN CCOC(=O)COc1ccc(/C=C2\Sc3ccccc3C2=O)cc1OC ZINC000027549146 520800050 /nfs/dbraw/zinc/80/00/50/520800050.db2.gz BPJZJXPRSKFZGV-WQRHYEAKSA-N 0 0 370.426 3.967 50 30 FHEARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(OC)c1)C2=O ZINC000005901085 521034069 /nfs/dbraw/zinc/03/40/69/521034069.db2.gz SMHWVUGKYYYCDK-LPXFMOJISA-N 0 0 368.385 3.642 50 30 biogenic FHEARN CCC(=O)Nc1ccc(C(C)N=Nc2ccc(C#N)cc2[N+](=O)[O-])cc1 ZINC000004519759 521197494 /nfs/dbraw/zinc/19/74/94/521197494.db2.gz DLAIYORMTZNOFR-CIAFOILYSA-N 0 0 351.366 3.651 50 30 FHEARN CCC(CC)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCC1 ZINC000002195263 521534031 /nfs/dbraw/zinc/53/40/31/521534031.db2.gz DPKMVDJFCASFAW-MRXNPFEDSA-N 0 0 366.465 3.817 50 30 FHEARN CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(OC)cc1 ZINC000016742395 521698874 /nfs/dbraw/zinc/69/88/74/521698874.db2.gz LVOLYKMFHNDMHV-MRXNPFEDSA-N 0 0 357.431 3.745 50 30 FHEARN COc1cc(/C=C/C(=O)N[C@@H](C)c2ccccc2C)ccc1OCC#N ZINC000015686327 521931407 /nfs/dbraw/zinc/93/14/07/521931407.db2.gz YGJFKBFGFKVMGW-SOGBHIHOSA-N 0 0 350.418 3.797 50 30 FHEARN COc1cc(/C=C\C(=O)NCc2ccc(Cl)cc2)ccc1OCC#N ZINC000006008534 521979025 /nfs/dbraw/zinc/97/90/25/521979025.db2.gz ITQORRCPJPDGHL-UITAMQMPSA-N 0 0 356.809 3.581 50 30 FHEARN COc1cc(C[C@@H](C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1O ZINC000057525114 522503176 /nfs/dbraw/zinc/50/31/76/522503176.db2.gz AHRTYILNRPALTE-LBPRGKRZSA-N 0 0 364.323 3.741 50 30 FHEARN COCC#CCSc1nnc(Cc2cccs2)n1-c1ccccc1 ZINC000089409636 522713681 /nfs/dbraw/zinc/71/36/81/522713681.db2.gz MKBYXMADUDKTOG-UHFFFAOYSA-N 0 0 355.488 3.662 50 30 FHEARN CCn1cc(Br)c(/C=C/C(=O)c2ccc(-n3ccnc3)cc2)n1 ZINC000006243871 523309987 /nfs/dbraw/zinc/30/99/87/523309987.db2.gz ISSHFFVIQCHCFF-BQYQJAHWSA-N 0 0 371.238 3.747 50 30 FHEARN COc1ccc(/C=C\C(=O)c2ccc3c(c2)OCCO3)cc1OC(F)F ZINC000096767108 523436174 /nfs/dbraw/zinc/43/61/74/523436174.db2.gz ZLVVIFMLORNRTF-DJWKRKHSSA-N 0 0 362.328 3.964 50 30 FHEARN COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC ZINC000005129369 523540103 /nfs/dbraw/zinc/54/01/03/523540103.db2.gz VPTOLZREMUECPH-FNORWQNLSA-N 0 0 373.361 3.525 50 30 FHEARN COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccs1 ZINC000004541044 523790591 /nfs/dbraw/zinc/79/05/91/523790591.db2.gz WVZIGLRTMMGUOC-KRWDZBQOSA-N 0 0 371.458 3.590 50 30 FHEARN CC[C@H](C)N(CC#Cc1ccccc1)C(=O)CCC(=O)NC1CCCC1 ZINC000055310228 523924554 /nfs/dbraw/zinc/92/45/54/523924554.db2.gz UESOPDOLIOZIAI-SFHVURJKSA-N 0 0 354.494 3.504 50 30 FHEARN COc1ccc(CN2C(=O)CS/C2=N\N=C\c2ccc(C)cc2C)cc1 ZINC000002353377 524019211 /nfs/dbraw/zinc/01/92/11/524019211.db2.gz AEXBBHWDOSYSFB-GRWXYWTESA-N 0 0 367.474 3.778 50 30 FHEARN Cc1cc(C)cc(OCCCN(C)C(=O)c2ccc(C#CC(C)(C)O)o2)c1 ZINC000055118963 524443076 /nfs/dbraw/zinc/44/30/76/524443076.db2.gz YLJXTGOHKLQJDK-UHFFFAOYSA-N 0 0 369.461 3.560 50 30 FHEARN Cc1cc(C)nc(N=C(NCc2ccccc2)NC(=O)Nc2ccccc2)n1 ZINC000008491512 524576570 /nfs/dbraw/zinc/57/65/70/524576570.db2.gz HXBIWLZTQKINHJ-UHFFFAOYSA-N 0 0 374.448 3.883 50 30 FHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCn4cccc4[C@H]3C)sc2C1 ZINC000252444163 524721457 /nfs/dbraw/zinc/72/14/57/524721457.db2.gz HOZOLXLZYLTADS-ZIAGYGMSSA-N 0 0 368.506 3.561 50 30 FHEARN COc1ccc(OC)c(-c2csc(N=NC(C)c3ccc(O)cc3)n2)c1 ZINC000043761270 524793952 /nfs/dbraw/zinc/79/39/52/524793952.db2.gz YGVJGFXUURADSN-CIAFOILYSA-N 0 0 369.446 3.791 50 30 FHEARN C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H](CN4CC4)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000261491962 525312843 /nfs/dbraw/zinc/31/28/43/525312843.db2.gz MUIGAJJYQBDLDV-PCVXREBVSA-N 0 0 357.538 3.811 50 30 FHEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC/C2=N/NC(N)=S ZINC000253499675 525349035 /nfs/dbraw/zinc/34/90/35/525349035.db2.gz LYALGFDSSRNLPA-IYTLTHGNSA-N 0 0 363.571 3.579 50 30 FHEARN COc1ccc2c(c1)/C(=N/OC(=O)c1ccc(OC)c([N+](=O)[O-])c1)CCC2 ZINC000001021390 525506805 /nfs/dbraw/zinc/50/68/05/525506805.db2.gz LBYOAMVUTPDSCW-CAPFRKAQSA-N 0 0 370.361 3.509 50 30 FHEARN C[C@@](C#N)(NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000008709454 525739858 /nfs/dbraw/zinc/73/98/58/525739858.db2.gz UCTHRQFFZSOCBM-KRWDZBQOSA-N 0 0 361.854 3.896 50 30 FHEARN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000008231626 525750279 /nfs/dbraw/zinc/75/02/79/525750279.db2.gz PRBBOKFVRPWQCE-SFHVURJKSA-N 0 0 374.897 3.735 50 30 FHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)o1 ZINC000001464708 526025743 /nfs/dbraw/zinc/02/57/43/526025743.db2.gz POMPOWFIQKSVMX-IBGZPJMESA-N 0 0 374.396 3.762 50 30 FHEARN N#CC1(NC(=O)CSc2nc(-c3ccccc3)c[nH]2)CCCCCC1 ZINC000027660904 526436638 /nfs/dbraw/zinc/43/66/38/526436638.db2.gz LAOJRZSUYRUZIL-UHFFFAOYSA-N 0 0 354.479 3.902 50 30 FHEARN N#C[C@@H](c1nc2ccccc2s1)c1ccnc(NCCc2cccnc2)n1 ZINC000016052772 526497765 /nfs/dbraw/zinc/49/77/65/526497765.db2.gz RCYPVQCPYKNSTG-OAHLLOKOSA-N 0 0 372.457 3.791 50 30 in-vivo FHEARN N#C[C@H](NC(=O)CCOc1ccccc1)c1cccc(Br)c1 ZINC000095393522 526509892 /nfs/dbraw/zinc/50/98/92/526509892.db2.gz OOADNODKDSIQGP-INIZCTEOSA-N 0 0 359.223 3.599 50 30 FHEARN N#C[C@H](c1nc2ccccc2s1)c1ccnc(NCCc2cccnc2)n1 ZINC000016052771 526510864 /nfs/dbraw/zinc/51/08/64/526510864.db2.gz RCYPVQCPYKNSTG-HNNXBMFYSA-N 0 0 372.457 3.791 50 30 in-vitro FHEARN COc1ccc(N2CCN(c3oc(-c4ccccc4)nc3C#N)CC2)cc1 ZINC000027019040 536704143 /nfs/dbraw/zinc/70/41/43/536704143.db2.gz OVHNKCZUQJXDNE-UHFFFAOYSA-N 0 0 360.417 3.548 50 30 FHEARN N#Cc1c2c(c(-c3ccco3)nc1OCC(=O)Nc1ccccc1)CCC2 ZINC000012324772 568180673 /nfs/dbraw/zinc/18/06/73/568180673.db2.gz MNNBKZCGWLYAFG-UHFFFAOYSA-N 0 0 359.385 3.719 50 30 FHEARN Cn1cc(CCC(=O)Nc2nc(C34CC5CC(CC(C5)C3)C4)c[nH]2)cn1 ZINC000330313363 568231789 /nfs/dbraw/zinc/23/17/89/568231789.db2.gz XDNHQKGUBPYBDE-UHFFFAOYSA-N 0 0 353.470 3.832 50 30 FHEARN Cc1c(C#N)c(NC(=O)Cc2ccccc2)sc1C(=O)N1CCCCC1 ZINC000000844278 568578324 /nfs/dbraw/zinc/57/83/24/568578324.db2.gz VGSVJLSMINFBIE-UHFFFAOYSA-N 0 0 367.474 3.736 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c[nH]c2ccccc21 ZINC000000628875 570440372 /nfs/dbraw/zinc/44/03/72/570440372.db2.gz HYISLMYYKFAVGX-LJQANCHMSA-N 0 0 364.445 3.945 50 30 FHEARN N#Cc1cccc(COC(=O)c2ccc(OCc3cscn3)cc2)c1 ZINC000011500981 570450791 /nfs/dbraw/zinc/45/07/91/570450791.db2.gz LYJUUKQISHQHFM-UHFFFAOYSA-N 0 0 350.399 3.951 50 30 FHEARN Cc1c(/N=C2\C=C(C)C(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000000828406 570459007 /nfs/dbraw/zinc/45/90/07/570459007.db2.gz FCVCYXFFXXFOJA-FCDQGJHFSA-N 0 0 357.413 3.748 50 30 FHEARN Cc1ccc2nc(-c3ccc(NN=C(C#N)C(N)=S)cc3)sc2c1 ZINC000001003651 570470592 /nfs/dbraw/zinc/47/05/92/570470592.db2.gz FYCLRUFVKGGGHZ-HYARGMPZSA-N 0 0 351.460 3.849 50 30 FHEARN COC(=O)c1sccc1NC=C1C(=O)CC(c2cccs2)CC1=O ZINC000001038483 570474091 /nfs/dbraw/zinc/47/40/91/570474091.db2.gz LDQKVCIPXGVMHI-UHFFFAOYSA-N 0 0 361.444 3.608 50 30 FHEARN CC(O)=C1C(=O)C(=O)N(c2ccc(C)cc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000001205507 570492334 /nfs/dbraw/zinc/49/23/34/570492334.db2.gz PLRCSDSMQBKJJP-IBGZPJMESA-N 0 0 350.418 3.550 50 30 FHEARN CCOC(=O)c1ccc(NC=C(C(C)=O)c2ccc(OC)c(OC)c2)cc1 ZINC000100217742 570501551 /nfs/dbraw/zinc/50/15/51/570501551.db2.gz VDBPMSMNGQYCCR-QGOAFFKASA-N 0 0 369.417 3.923 50 30 FHEARN COc1cc(Br)c(O)c(/C=N/Cc2ccc3c(c2)OCO3)c1 ZINC000100325213 570503015 /nfs/dbraw/zinc/50/30/15/570503015.db2.gz OWGOSCPNXHIVLF-QGMBQPNBSA-N 0 0 364.195 3.511 50 30 FHEARN Cc1cc(C)nc(N=NCC2C(=O)CC(c3ccc(F)cc3)CC2=O)n1 ZINC000101271165 570511034 /nfs/dbraw/zinc/51/10/34/570511034.db2.gz UWJSHNXLMLDXFZ-YVJZOELXSA-N 0 0 354.385 3.589 50 30 FHEARN CCn1ncc(-c2cc(-c3cc(F)c(F)c(F)c3)nc(N)c2C#N)c1C ZINC000071760344 570511863 /nfs/dbraw/zinc/51/18/63/570511863.db2.gz SILCAAMHRBFBKG-UHFFFAOYSA-N 0 0 357.339 3.812 50 30 FHEARN CC(C)CCN1C(N)=C(c2nc(-c3ccc(C#N)cc3)cs2)C(=O)[C@@H]1C ZINC000102663818 570516465 /nfs/dbraw/zinc/51/64/65/570516465.db2.gz UULAACHLQMETLH-ZDUSSCGKSA-N 0 0 366.490 3.628 50 30 FHEARN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=Cc2ccc(O)cc2)C1=O ZINC000100274642 570550632 /nfs/dbraw/zinc/55/06/32/570550632.db2.gz BNTTYXJVGBFOOR-UNOMPAQXSA-N 0 0 363.413 3.886 50 30 FHEARN CC(=O)[C@H]1[C@H](c2ccc(F)cc2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12 ZINC000035366045 570579872 /nfs/dbraw/zinc/57/98/72/570579872.db2.gz NURNUALDLDBKNZ-ACRUOGEOSA-N 0 0 357.388 3.942 50 30 FHEARN CC1CCN(CN2c3ccccc3C(=NNc3ccccc3F)C2=O)CC1 ZINC000033821626 570586913 /nfs/dbraw/zinc/58/69/13/570586913.db2.gz OTRWPNXIJCEHKY-GFMRDNFCSA-N 0 0 366.440 3.678 50 30 FHEARN C=CCC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1-c1ccc(OC)cc1 ZINC000011761429 570594841 /nfs/dbraw/zinc/59/48/41/570594841.db2.gz KKPJFHGPBLCVPH-FQEVSTJZSA-N 0 0 364.445 3.868 50 30 FHEARN C=CCn1c(C)cc(C(=O)COC(=O)C=Cc2cccc(OC)c2)c1C ZINC000003308820 570659882 /nfs/dbraw/zinc/65/98/82/570659882.db2.gz ROOWGWBZEJPQRD-MDZDMXLPSA-N 0 0 353.418 3.739 50 30 FHEARN O=[N+]([O-])c1ccc(N=NCc2c(O)ccc3ccccc32)c([N+](=O)[O-])c1 ZINC000012403581 570742149 /nfs/dbraw/zinc/74/21/49/570742149.db2.gz LALSFJZZQVQYEH-VCHYOVAHSA-N 0 0 352.306 3.808 50 30 FHEARN COc1ccc([C@H]2NC(=O)N(C)C=C2C(=O)C=Cc2ccc(C)cc2)cc1 ZINC000012407679 570742607 /nfs/dbraw/zinc/74/26/07/570742607.db2.gz BSKJQLBIFMYDKB-CDDKBXLESA-N 0 0 362.429 3.866 50 30 FHEARN COc1ccc(/C=C2/S/C(=N\c3cccc(C)c3)NC2=O)c(OC)c1 ZINC000012462720 570747661 /nfs/dbraw/zinc/74/76/61/570747661.db2.gz GTYXXSZFWPUZOC-LICLKQGHSA-N 0 0 354.431 3.904 50 30 FHEARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCOc1ccc(C#N)cc1 ZINC000032672171 570767059 /nfs/dbraw/zinc/76/70/59/570767059.db2.gz PZMXCTKUVNJQMM-ZDUSSCGKSA-N 0 0 372.402 3.569 50 30 FHEARN CCNC(=S)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 ZINC000013518904 570778647 /nfs/dbraw/zinc/77/86/47/570778647.db2.gz UXNIRSLJTHESJA-UHFFFAOYSA-N 0 0 354.519 3.940 50 30 FHEARN N#Cc1ccc(NC(=O)C[S@](=O)CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000032801451 570804660 /nfs/dbraw/zinc/80/46/60/570804660.db2.gz IFFAWFAQKFWEBN-YDUUFUAJSA-N 0 0 370.518 3.852 50 30 FHEARN C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)NC1(C#N)CCCCC1 ZINC000014138814 570808006 /nfs/dbraw/zinc/80/80/06/570808006.db2.gz LXCWTVDMXFLBJA-LBPRGKRZSA-N 0 0 374.441 3.699 50 30 FHEARN CC(C)/C=N/N=C1/NC(=O)[C@@H](Cc2ccc(SC(F)F)cc2)S1 ZINC000018209121 570815264 /nfs/dbraw/zinc/81/52/64/570815264.db2.gz WWPQKMOSPVDZSZ-VGTRTNLYSA-N 0 0 357.451 3.773 50 30 FHEARN N#CCOc1ccc(NC(=O)c2ccc(OCc3cscn3)cc2)cc1 ZINC000015766195 570843447 /nfs/dbraw/zinc/84/34/47/570843447.db2.gz KATPVLCMJPDFNC-UHFFFAOYSA-N 0 0 365.414 3.877 50 30 FHEARN C#Cc1cccc(N(C)C(=O)c2cnn3c2nccc3-c2ccccc2)c1 ZINC000103102309 570843653 /nfs/dbraw/zinc/84/36/53/570843653.db2.gz BWISUATXUDJMKY-UHFFFAOYSA-N 0 0 352.397 3.654 50 30 FHEARN CC/N=C1\S/C(=C\c2cc(Cl)c(OC)c(OC)c2)C(=O)N1CC ZINC000015985681 570849053 /nfs/dbraw/zinc/84/90/53/570849053.db2.gz PBLPJDPIGBTGLS-FMPUCSDASA-N 0 0 354.859 3.669 50 30 FHEARN N#Cc1cc([N+](=O)[O-])ccc1NCCCNc1ccc(C(F)(F)F)cn1 ZINC000032911768 570851100 /nfs/dbraw/zinc/85/11/00/570851100.db2.gz FQNSSDOSIOMCOV-UHFFFAOYSA-N 0 0 365.315 3.794 50 30 FHEARN C[C@H](Sc1nnc(CCC2CCCC2)[nH]1)C(=O)Nc1cccc(C#N)c1 ZINC000012104709 570889307 /nfs/dbraw/zinc/88/93/07/570889307.db2.gz GQRVREQWVZSIBF-ZDUSSCGKSA-N 0 0 369.494 3.918 50 30 FHEARN CC/C(=N\N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(O)cc1 ZINC000019791212 570903336 /nfs/dbraw/zinc/90/33/36/570903336.db2.gz CBPLVKCMVOQJCC-LSDHQDQOSA-N 0 0 357.885 3.978 50 30 FHEARN COc1cccc(/C(C)=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000019834263 570904164 /nfs/dbraw/zinc/90/41/64/570904164.db2.gz GWZAOYUSQSKMKA-CJLVFECKSA-N 0 0 357.885 3.890 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(F)cccc1F ZINC000019901603 570905788 /nfs/dbraw/zinc/90/57/88/570905788.db2.gz BJTPAIUOFAXXRP-GOSISDBHSA-N 0 0 361.388 3.742 50 30 FHEARN O=C1c2ccccc2C(N2CCN(c3ccccn3)CC2)=C1c1ccccc1 ZINC000020509802 570919382 /nfs/dbraw/zinc/91/93/82/570919382.db2.gz UGQNNDCQEPUCLP-UHFFFAOYSA-N 0 0 367.452 3.968 50 30 FHEARN CC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1cc(C)cc(C)c1 ZINC000020849199 570926185 /nfs/dbraw/zinc/92/61/85/570926185.db2.gz JWIAIGWLGDGYGD-XDOYNYLZSA-N 0 0 350.374 3.681 50 30 FHEARN Cc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccccc2C)cc1C ZINC000046129266 570927667 /nfs/dbraw/zinc/92/76/67/570927667.db2.gz UVGOLYGBWAOWPG-IBGZPJMESA-N 0 0 365.477 3.989 50 30 FHEARN O=C(N=C(NCc1cccnc1)Nc1ccc(F)cc1)c1cccc(F)c1 ZINC000046128264 570927669 /nfs/dbraw/zinc/92/76/69/570927669.db2.gz LAZFCFBDAURWBK-UHFFFAOYSA-N 0 0 366.371 3.758 50 30 FHEARN Cc1ccc(C)c(NC(=NC(=O)c2ccccc2)NC[C@H]2CCCO2)c1 ZINC000046130158 570928041 /nfs/dbraw/zinc/92/80/41/570928041.db2.gz WZCOZVIKKUTQAG-GOSISDBHSA-N 0 0 351.450 3.680 50 30 FHEARN Cc1cccc(NC(=NC(=O)c2ccc(F)cc2)NC[C@@H]2CCCO2)c1 ZINC000046130492 570928048 /nfs/dbraw/zinc/92/80/48/570928048.db2.gz BPUAXNRDFKNJQN-SFHVURJKSA-N 0 0 355.413 3.511 50 30 FHEARN Cc1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cccc(C)c2C)c1 ZINC000046131613 570928421 /nfs/dbraw/zinc/92/84/21/570928421.db2.gz VMIATJAASWXDJC-IBGZPJMESA-N 0 0 365.477 3.989 50 30 FHEARN CCc1cccc(NC(=NC(=O)c2ccc(C)cc2)NC[C@@H]2CCCO2)c1 ZINC000046130794 570928482 /nfs/dbraw/zinc/92/84/82/570928482.db2.gz CCFBUXUSQLDNBS-FQEVSTJZSA-N 0 0 365.477 3.934 50 30 FHEARN Cc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cc(C)cc(C)c2)c1 ZINC000046131488 570928531 /nfs/dbraw/zinc/92/85/31/570928531.db2.gz RBCBSBPMHAQEOM-HXUWFJFHSA-N 0 0 365.477 3.989 50 30 FHEARN CCc1ccccc1NC(=NC(=O)c1cccc(C)c1)NC[C@@H]1CCCO1 ZINC000046131123 570928539 /nfs/dbraw/zinc/92/85/39/570928539.db2.gz SYRJORRPRKQQJP-IBGZPJMESA-N 0 0 365.477 3.934 50 30 FHEARN N#Cc1cnn2c1[nH]c(CSc1nc(-c3ccccc3)cs1)cc2=O ZINC000048332902 570946781 /nfs/dbraw/zinc/94/67/81/570946781.db2.gz KDQMIMSOBGVYQU-UHFFFAOYSA-N 0 0 365.443 3.722 50 30 FHEARN CSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000022608287 570947342 /nfs/dbraw/zinc/94/73/42/570947342.db2.gz FULOESUDTYECLY-VFZGTOFNSA-N 0 0 360.870 3.921 50 30 FHEARN COc1ccc(OC)c([C@H](C)NC(=O)c2ccccc2SCC#N)c1 ZINC000024397457 570975229 /nfs/dbraw/zinc/97/52/29/570975229.db2.gz NRZRQGDJWHXDQY-ZDUSSCGKSA-N 0 0 356.447 3.810 50 30 FHEARN C=CCn1cc(CN2CCO[C@@H](Cc3cccc4ccccc43)C2)c(C)n1 ZINC000071752017 571053060 /nfs/dbraw/zinc/05/30/60/571053060.db2.gz FLJGUEXOKXJIJZ-QFIPXVFZSA-N 0 0 361.489 3.974 50 30 FHEARN C=CCC[C@H](C[NH+]1CCC(C(=O)[O-])CC1)Oc1ccnc2ccccc21 ZINC000072480924 571053682 /nfs/dbraw/zinc/05/36/82/571053682.db2.gz LYXGVZMJSOMXBF-QGZVFWFLSA-N 0 0 354.450 3.745 50 30 FHEARN C=CCOc1ccc(C(=O)N[C@H](C)Cc2ncccc2C)cc1OCC ZINC000055073741 571057617 /nfs/dbraw/zinc/05/76/17/571057617.db2.gz GYEWUHULHKCJDJ-MRXNPFEDSA-N 0 0 354.450 3.715 50 30 FHEARN COc1ccc(F)cc1C(=O)[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000055153332 571058014 /nfs/dbraw/zinc/05/80/14/571058014.db2.gz MGUVVMSWABHOJR-SFHVURJKSA-N 0 0 351.421 3.781 50 30 FHEARN C=CCOc1c(Cl)cc(C(=O)N(C)Cc2cc(C)n[nH]2)cc1Cl ZINC000055371171 571058961 /nfs/dbraw/zinc/05/89/61/571058961.db2.gz GZBCNNWSUAORLQ-UHFFFAOYSA-N 0 0 354.237 3.862 50 30 FHEARN C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1cnc(SC)[nH]c1=O ZINC000055575219 571059482 /nfs/dbraw/zinc/05/94/82/571059482.db2.gz ASOKEVJYYZWDIU-WBVHZDCISA-N 0 0 367.474 3.580 50 30 FHEARN COC(=O)[C@H]1C[C@H](C2CCCCC2)CN1Cc1ccc(OCC#N)cc1 ZINC000072305036 571060091 /nfs/dbraw/zinc/06/00/91/571060091.db2.gz IJAXEOFHPVWMIY-AZUAARDMSA-N 0 0 356.466 3.533 50 30 FHEARN C=CCO[C@@H](C)C(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1 ZINC000058316624 571062991 /nfs/dbraw/zinc/06/29/91/571062991.db2.gz WGESKKHZILATMK-ZDUSSCGKSA-N 0 0 368.462 3.740 50 30 FHEARN C=CCN1CC2(CCC1=O)CCN(C(=O)Nc1ccccc1Cl)CC2 ZINC000091781343 571063091 /nfs/dbraw/zinc/06/30/91/571063091.db2.gz ARQWXBQIXSZOFP-UHFFFAOYSA-N 0 0 361.873 3.763 50 30 FHEARN N#Cc1sc(Nc2ccccc2)c(S(=O)(=O)c2ccccc2)c1N ZINC000039930518 571066261 /nfs/dbraw/zinc/06/62/61/571066261.db2.gz UUHBWQQNGXVTTQ-UHFFFAOYSA-N 0 0 355.444 3.778 50 30 FHEARN CN(Cc1ccc(Br)cc1)C(=O)NCC#Cc1ccccc1 ZINC000040071278 571072065 /nfs/dbraw/zinc/07/20/65/571072065.db2.gz QSPXJUFTXBIAAV-UHFFFAOYSA-N 0 0 357.251 3.642 50 30 FHEARN C=C(C)CSc1nnc(NC(=O)COc2ccc(Cl)cc2)s1 ZINC000096280173 571072862 /nfs/dbraw/zinc/07/28/62/571072862.db2.gz MZCQHZKIJKFFSE-UHFFFAOYSA-N 0 0 355.872 3.877 50 30 FHEARN Cc1c(NC[C@H](O)c2ccccc2C(F)(F)F)cc(C#N)cc1[N+](=O)[O-] ZINC000068998180 571074242 /nfs/dbraw/zinc/07/42/42/571074242.db2.gz YTTXMSOXRBGNHC-INIZCTEOSA-N 0 0 365.311 3.939 50 30 FHEARN COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000040107293 571078036 /nfs/dbraw/zinc/07/80/36/571078036.db2.gz RLYZSIDQVANDMK-MSOLQXFVSA-N 0 0 356.466 3.907 50 30 FHEARN COc1cc(C#N)ccc1OCCCC(=O)Oc1cc(C)ccc1[N+](=O)[O-] ZINC000040130994 571082713 /nfs/dbraw/zinc/08/27/13/571082713.db2.gz AQMCPKZJZGRGSZ-UHFFFAOYSA-N 0 0 370.361 3.548 50 30 FHEARN CCOc1ccc(-n2c3c(cc(C#N)c2=O)C(=O)C[C@@H](c2ccco2)C3)cc1 ZINC000032985481 571083263 /nfs/dbraw/zinc/08/32/63/571083263.db2.gz PVYMSBYRCQSXTD-AWEZNQCLSA-N 0 0 374.396 3.614 50 30 FHEARN Cn1cc([C@H]2C[C@H]2C(=O)Nc2sc3c(c2C#N)CCCCCC3)cn1 ZINC000069166179 571090691 /nfs/dbraw/zinc/09/06/91/571090691.db2.gz XTOLEDCEVGBJFX-HUUCEWRRSA-N 0 0 354.479 3.754 50 30 FHEARN C[C@@H](ON=Cc1cccs1)C(=O)Nc1ccc(Br)cc1 ZINC000245284047 571096334 /nfs/dbraw/zinc/09/63/34/571096334.db2.gz QCARSAJVLXQWMZ-SNVBAGLBSA-N 0 0 353.241 3.888 50 30 FHEARN CCCNC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)c1C#N ZINC000012422060 571098253 /nfs/dbraw/zinc/09/82/53/571098253.db2.gz ZLBVTIJABKXUEN-UHFFFAOYSA-N 0 0 369.368 3.850 50 30 FHEARN C=CCOc1ccccc1/C=C1\N=C(c2ccc(C)c([N+](=O)[O-])c2)OC1=O ZINC000004611327 571102368 /nfs/dbraw/zinc/10/23/68/571102368.db2.gz ASYTYDHZQDKIAP-WJDWOHSUSA-N 0 0 364.357 3.813 50 30 FHEARN O=C1C[C@@H](c2ccccc2)CC2=Nc3ncnn3[C@H](c3ccccc3F)C12 ZINC000009361192 571106466 /nfs/dbraw/zinc/10/64/66/571106466.db2.gz DCOSWCVEFAJWSB-VBKZILBWSA-N 0 0 360.392 3.833 50 30 FHEARN C=CCSC1=Nc2c(cnn2-c2ccc(Cl)cc2)C2=NCCCN12 ZINC000012408372 571117944 /nfs/dbraw/zinc/11/79/44/571117944.db2.gz CQGVWTXLZISLIQ-UHFFFAOYSA-N 0 0 357.870 3.898 50 30 FHEARN C#CCN(CC=C)C(=O)c1cc(COc2cc(C)c(Cl)c(C)c2)on1 ZINC000012708697 571118410 /nfs/dbraw/zinc/11/84/10/571118410.db2.gz IYCCLMBVEYHRIQ-UHFFFAOYSA-N 0 0 358.825 3.785 50 30 FHEARN C=CCNC(=S)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C ZINC000012654266 571118439 /nfs/dbraw/zinc/11/84/39/571118439.db2.gz KHICFKBOYPXIGR-UHFFFAOYSA-N 0 0 350.875 3.661 50 30 FHEARN C=CCn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1ccc(OC)cc1 ZINC000000645821 571123032 /nfs/dbraw/zinc/12/30/32/571123032.db2.gz CPYXISGHPWLNJY-UHFFFAOYSA-N 0 0 369.406 3.594 50 30 FHEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccncc1 ZINC000000862958 571123257 /nfs/dbraw/zinc/12/32/57/571123257.db2.gz NGSVVQKKUNFKJJ-UHFFFAOYSA-N 0 0 365.462 3.565 50 30 FHEARN O=C(NC(=S)Nc1ccccc1)c1cncc(C#Cc2ccccc2)c1 ZINC000001040168 571123508 /nfs/dbraw/zinc/12/35/08/571123508.db2.gz OEHIWBILAXOFHM-UHFFFAOYSA-N 0 0 357.438 3.608 50 30 FHEARN C=CCN1C(=O)/C(=C/c2cc(O)ccc2Br)SC1=S ZINC000001120914 571123774 /nfs/dbraw/zinc/12/37/74/571123774.db2.gz AGUXUIISBKNDKL-XFFZJAGNSA-N 0 0 356.266 3.542 50 30 FHEARN Brc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)s1 ZINC000019850233 571125791 /nfs/dbraw/zinc/12/57/91/571125791.db2.gz XPJACMKDJCDBAU-LDADJPATSA-N 0 0 364.312 3.662 50 30 FHEARN O=C(/C=C/c1cnn(Cc2ccccc2)c1)c1cccc(N2CCOC2=O)c1 ZINC000058417564 571132914 /nfs/dbraw/zinc/13/29/14/571132914.db2.gz HVXQSTMJNISFDK-MDZDMXLPSA-N 0 0 373.412 3.784 50 30 FHEARN CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=CNNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000257347918 571135665 /nfs/dbraw/zinc/13/56/65/571135665.db2.gz YVWBACPZDDNQBJ-QSYBZJEFSA-N 0 0 360.370 3.542 50 30 FHEARN Cc1ccc(OCc2nc(C(=O)NCC#Cc3ccccc3)cs2)cc1 ZINC000012874165 571136124 /nfs/dbraw/zinc/13/61/24/571136124.db2.gz GXCGGYBAZBJOJC-UHFFFAOYSA-N 0 0 362.454 3.812 50 30 FHEARN C#CC(CC)(CC)NC(=S)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000017072788 571140050 /nfs/dbraw/zinc/14/00/50/571140050.db2.gz HTVDPLFFZWOQPY-UHFFFAOYSA-N 0 0 350.509 3.502 50 30 FHEARN C=CCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ncccn2)c1 ZINC000020736061 571141663 /nfs/dbraw/zinc/14/16/63/571141663.db2.gz PYDBUSGZMDQREC-MRXNPFEDSA-N 0 0 361.405 3.659 50 30 FHEARN CCn1ncc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1C ZINC000001019045 571143371 /nfs/dbraw/zinc/14/33/71/571143371.db2.gz RAJBCCDMXPHRLO-WAFBPQNNSA-N 0 0 354.479 3.921 50 30 FHEARN COc1ccccc1[C@@H]1[C@H]2CCCC=C2c2c(N)snc2C1(C#N)C#N ZINC000001021802 571143629 /nfs/dbraw/zinc/14/36/29/571143629.db2.gz BITYIZZJQLXRGJ-GUYCJALGSA-N 0 0 362.458 4.000 50 30 FHEARN COc1ccc(-c2csc(NC(=O)c3cc(C)on3)c2C#N)cc1OC ZINC000001053500 571144803 /nfs/dbraw/zinc/14/48/03/571144803.db2.gz AHJWIRBGLQWHQS-UHFFFAOYSA-N 0 0 369.402 3.853 50 30 FHEARN N#Cc1ccccc1COc1ccc(C(=S)N2CCOCC2)cc1Cl ZINC000001072720 571145116 /nfs/dbraw/zinc/14/51/16/571145116.db2.gz BCNGNAZKONQZBO-UHFFFAOYSA-N 0 0 372.877 3.798 50 30 FHEARN CCOc1cc(C#N)c(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OCC ZINC000001076825 571145537 /nfs/dbraw/zinc/14/55/37/571145537.db2.gz WOMYZVGVWVRAON-UHFFFAOYSA-N 0 0 369.377 3.825 50 30 FHEARN Cc1nc(SCC(=O)NCCc2ccccc2)c(C#N)c(C)c1Cl ZINC000001079403 571145662 /nfs/dbraw/zinc/14/56/62/571145662.db2.gz YODFAGVYPCOCKC-UHFFFAOYSA-N 0 0 359.882 3.675 50 30 FHEARN N#Cc1ccc(-n2nc(-c3ccccc3)c3ccccc3c2=O)c([N+](=O)[O-])c1 ZINC000001100055 571146128 /nfs/dbraw/zinc/14/61/28/571146128.db2.gz HUGGYSDDNQPSTQ-UHFFFAOYSA-N 0 0 368.352 3.833 50 30 FHEARN C[C@H](Nc1cccc(OC(F)(F)F)c1)C(=O)Nc1sccc1C#N ZINC000025482762 571146761 /nfs/dbraw/zinc/14/67/61/571146761.db2.gz YFZOUJDNNIPXIK-VIFPVBQESA-N 0 0 355.341 3.957 50 30 FHEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccncc3)c2)c1 ZINC000024776348 571148319 /nfs/dbraw/zinc/14/83/19/571148319.db2.gz FQIHNIUYTNWCIG-UHFFFAOYSA-N 0 0 356.381 3.520 50 30 FHEARN C=C(C)Cn1c2sc(C)c(C)c2c2nc(Cc3ccccc3)nn2c1=O ZINC000032088236 571151462 /nfs/dbraw/zinc/15/14/62/571151462.db2.gz XTAUKFJYDIUDSP-UHFFFAOYSA-N 0 0 364.474 3.889 50 30 FHEARN CC(C)N=C(N[C@H](CN1CCCC1=O)c1ccccc1)c1cccs1 ZINC000075126058 571156457 /nfs/dbraw/zinc/15/64/57/571156457.db2.gz XJEUADZLKOFKOS-QGZVFWFLSA-N 0 0 355.507 3.856 50 30 FHEARN COC(=O)/C=C1\CC[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C ZINC000257358072 571163734 /nfs/dbraw/zinc/16/37/34/571163734.db2.gz RMDJMPHXGCYQJX-FXTFKWBPSA-N 0 0 374.452 3.745 50 30 FHEARN Cc1cnc2c(cccc2S(=O)(=O)Oc2ccc(C#N)cc2Cl)c1 ZINC000012589459 571187538 /nfs/dbraw/zinc/18/75/38/571187538.db2.gz QSRHNXUPROICAN-UHFFFAOYSA-N 0 0 358.806 3.836 50 30 FHEARN COc1ccccc1C(N)=NOCc1coc(-c2ccccc2Cl)n1 ZINC000064387865 571202115 /nfs/dbraw/zinc/20/21/15/571202115.db2.gz MTVYXFNLPPYIOR-UHFFFAOYSA-N 0 0 357.797 3.841 50 30 FHEARN C[C@@H]1CCCN(CN2c3ccccc3/C(=N/c3cccc(F)c3)C2=O)C1 ZINC000016609099 571203989 /nfs/dbraw/zinc/20/39/89/571203989.db2.gz PCKFIEFIOXESBV-LYLVPTPKSA-N 0 0 351.425 3.983 50 30 FHEARN COc1cccc2c1OCCCN(Cc1ccc(C#CC(C)(C)O)s1)C2 ZINC000215158561 571210858 /nfs/dbraw/zinc/21/08/58/571210858.db2.gz HKUXSXJCDVHHFE-UHFFFAOYSA-N 0 0 371.502 3.664 50 30 FHEARN CNc1ccc(/C=C\C(=O)c2ccc(OCCOC)cc2)cc1[N+](=O)[O-] ZINC000098008738 571217778 /nfs/dbraw/zinc/21/77/78/571217778.db2.gz YKWALRUWKLCGDG-WMZJFQQLSA-N 0 0 356.378 3.558 50 30 FHEARN N#C[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(Cn4ccnc4)cc3)c2)C1 ZINC000426698500 571235657 /nfs/dbraw/zinc/23/56/57/571235657.db2.gz WCVBUUOYCUMNRM-IBGZPJMESA-N 0 0 370.456 3.974 50 30 FHEARN C=CCN(C1CCCCC1)S(=O)(=O)c1nc(C)c(Cl)c(C)c1C#N ZINC000006668707 571240164 /nfs/dbraw/zinc/24/01/64/571240164.db2.gz HQTMJYZBBQOFAE-UHFFFAOYSA-N 0 0 367.902 3.733 50 30 FHEARN N#C[C@@H](Cc1ccccc1)Sc1nnc([C@@H]2COc3ccccc3O2)o1 ZINC000006845515 571250458 /nfs/dbraw/zinc/25/04/58/571250458.db2.gz UBDDFUAHOHBTAY-PBHICJAKSA-N 0 0 365.414 3.809 50 30 FHEARN CN(C(=O)CSc1nccn1-c1cccc(F)c1)C1(C#N)CCCCC1 ZINC000006972957 571256198 /nfs/dbraw/zinc/25/61/98/571256198.db2.gz LOSIXIJEQJROFO-UHFFFAOYSA-N 0 0 372.469 3.788 50 30 FHEARN Cc1ccc(C(N)=NOCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1 ZINC000065522661 571264344 /nfs/dbraw/zinc/26/43/44/571264344.db2.gz PGZIDXFMURVMKW-MRXNPFEDSA-N 0 0 361.445 3.663 50 30 FHEARN Cc1nc(C2CC2)nc(S[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)c1C#N ZINC000037170584 571265847 /nfs/dbraw/zinc/26/58/47/571265847.db2.gz LHYHHWZUYMUFST-GHJWDPDVSA-N 0 0 358.511 3.710 50 30 FHEARN N#CC1(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)CCCCC1 ZINC000170605424 571267279 /nfs/dbraw/zinc/26/72/79/571267279.db2.gz JKWAGECLVGZIBX-UHFFFAOYSA-N 0 0 363.864 3.786 50 30 FHEARN C=CCn1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)nnc1C1CC1 ZINC000009883553 571269776 /nfs/dbraw/zinc/26/97/76/571269776.db2.gz GADGNIOCEVVQOQ-JTQLQIEISA-N 0 0 363.874 3.509 50 30 FHEARN C=CCSc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000007709686 571286118 /nfs/dbraw/zinc/28/61/18/571286118.db2.gz 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N#Cc1c(SCC(N)=O)nc(-c2ccccc2)cc1-c1cccs1 ZINC000000668134 571319119 /nfs/dbraw/zinc/31/91/19/571319119.db2.gz MEWSONBFQNKSGU-UHFFFAOYSA-N 0 0 351.456 3.926 50 30 FHEARN COc1ccc(CC(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC ZINC000000708607 571319141 /nfs/dbraw/zinc/31/91/41/571319141.db2.gz HSIJOFKEJKJYRQ-UHFFFAOYSA-N 0 0 356.447 3.697 50 30 FHEARN Cc1nc(-c2ccccc2)nc(SCC(=O)Nc2nccs2)c1C#N ZINC000027789349 571321424 /nfs/dbraw/zinc/32/14/24/571321424.db2.gz BQGUJBGGBHCCND-UHFFFAOYSA-N 0 0 367.459 3.511 50 30 FHEARN CC1(C)Cc2c(C#N)c(NC[C@@H]3CCCO3)nc(-c3ccco3)c2CO1 ZINC000012437239 571322397 /nfs/dbraw/zinc/32/23/97/571322397.db2.gz PKIMSFACWMKGFN-ZDUSSCGKSA-N 0 0 353.422 3.655 50 30 FHEARN N#Cc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1Cl ZINC000012864646 571322783 /nfs/dbraw/zinc/32/27/83/571322783.db2.gz BGOYBSDMUPGIJZ-UHFFFAOYSA-N 0 0 373.865 3.764 50 30 FHEARN CN(C)C=CC(=CC(=O)C(F)(F)F)Nc1ccc(Br)cc1 ZINC000012861243 571322810 /nfs/dbraw/zinc/32/28/10/571322810.db2.gz LMHOACYHMPGUKX-ANKZSMJWSA-N 0 0 363.177 3.952 50 30 FHEARN COc1ccc(/C=C2\Oc3c(ccc(OCC(C)=O)c3C)C2=O)cc1OC ZINC000012880666 571322881 /nfs/dbraw/zinc/32/28/81/571322881.db2.gz HASKQOASOBXKLM-GRSHGNNSSA-N 0 0 368.385 3.596 50 30 FHEARN CCOc1cc(C#N)cc(Br)c1OC(=O)c1ccc(C#N)cc1 ZINC000013140749 571323139 /nfs/dbraw/zinc/32/31/39/571323139.db2.gz ABROOMNTJMHZAC-UHFFFAOYSA-N 0 0 371.190 3.810 50 30 FHEARN C=CCOc1ccc(C2N3CC4(C)CN2CC(CCCC)(C3)C4=O)cc1 ZINC000019320119 571323869 /nfs/dbraw/zinc/32/38/69/571323869.db2.gz BSYBCENTSCZCEU-UHFFFAOYSA-N 0 0 354.494 3.647 50 30 FHEARN CC(C)(C)OC(=O)NC(C)(C)c1noc(CSc2cccc(C#N)c2)n1 ZINC000079051100 571326710 /nfs/dbraw/zinc/32/67/10/571326710.db2.gz YTOOTZPEAIDZKW-UHFFFAOYSA-N 0 0 374.466 3.993 50 30 FHEARN C=CCN(C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)C1CC1 ZINC000095459338 571330119 /nfs/dbraw/zinc/33/01/19/571330119.db2.gz ZMNCSRQRTHXNFW-UHFFFAOYSA-N 0 0 358.463 3.547 50 30 FHEARN C[NH+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc(Br)c1)O2 ZINC000020519011 571330637 /nfs/dbraw/zinc/33/06/37/571330637.db2.gz NNIOBXOAWGMBMW-SXGWCWSVSA-N 0 0 374.234 3.833 50 30 FHEARN CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)Nc1nc[nH]n1 ZINC000095476315 571330893 /nfs/dbraw/zinc/33/08/93/571330893.db2.gz XRZCXMQRBYNQPQ-LLVKDONJSA-N 0 0 355.225 3.912 50 30 FHEARN O=C1N/C(=N\c2ccc(Cl)cc2)S[C@@H]1Cc1ccc([N+](=O)[O-])cc1 ZINC000028294281 571338983 /nfs/dbraw/zinc/33/89/83/571338983.db2.gz JBERCQKCXNTOOZ-CQSZACIVSA-N 0 0 361.810 3.710 50 30 FHEARN C=C(C)CN(CC)C(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000057158069 571342393 /nfs/dbraw/zinc/34/23/93/571342393.db2.gz BGNQOEGZMXRMCU-HXUWFJFHSA-N 0 0 350.462 3.972 50 30 FHEARN C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000057352488 571342631 /nfs/dbraw/zinc/34/26/31/571342631.db2.gz SLEIBKAHQKCXLA-HNNXBMFYSA-N 0 0 370.522 3.974 50 30 FHEARN CC[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000030371234 571345570 /nfs/dbraw/zinc/34/55/70/571345570.db2.gz NELNZKVEGBNZGB-HNNXBMFYSA-N 0 0 366.389 3.589 50 30 FHEARN COc1cc(C(=O)/C=C2\C(=O)Nc3c2cccc3Cl)cc(OC)c1OC ZINC000032073320 571355399 /nfs/dbraw/zinc/35/53/99/571355399.db2.gz HOJCDDWHLNMIOA-XFXZXTDPSA-N 0 0 373.792 3.584 50 30 FHEARN CC[C@H](NC(=O)N1CCn2c(C3CCCC3)nnc2[C@H]1C)c1nccs1 ZINC000329303037 942769453 /nfs/dbraw/zinc/76/94/53/942769453.db2.gz XBXOFTWJFXLPFQ-OCCSQVGLSA-N 0 0 374.514 3.834 50 30 FHEARN CC[C@@H](C)n1ncc(NC(=O)N2CCCN3c4ccccc4C[C@@H]3C2)c1C ZINC000329816477 944290967 /nfs/dbraw/zinc/29/09/67/944290967.db2.gz FLEHMNIFRGUWJS-CRAIPNDOSA-N 0 0 367.497 3.845 50 30 FHEARN COc1ccc(C[C@H](C)CNC(=O)N2CCOC[C@@H](C3CCC3)C2)cc1 ZINC000330220288 944345603 /nfs/dbraw/zinc/34/56/03/944345603.db2.gz QCEKMOVQEZLXMJ-LPHOPBHVSA-N 0 0 360.498 3.536 50 30 FHEARN COc1cc(/C=N/n2cnnc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000001185646 219386545 /nfs/dbraw/zinc/38/65/45/219386545.db2.gz NWMPUWWHISWGDA-GZIVZEMBSA-N 0 0 360.776 3.540 50 30 FHEARN C=CCC(=O)N1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012373692 203852683 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C/C(=N\N=C1\NC(=O)[C@H](Cc2ccc(F)cc2)S1)c1ccc(C)cc1 ZINC000001187996 203991520 /nfs/dbraw/zinc/99/15/20/203991520.db2.gz UXIMQZQPEJIASD-KOWBDXASSA-N 0 0 355.438 3.688 50 30 FHEARN COc1ccc(CNc2oc(COc3ccc(OC)cc3)nc2C#N)cc1 ZINC000000730246 203946496 /nfs/dbraw/zinc/94/64/96/203946496.db2.gz KVXFOQCNDQHEHG-UHFFFAOYSA-N 0 0 365.389 3.755 50 30 FHEARN CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000000852326 203957633 /nfs/dbraw/zinc/95/76/33/203957633.db2.gz KLRXIUIRVCCKFE-GOSISDBHSA-N 0 0 355.821 3.867 50 30 FHEARN CC(=O)Nc1ccc([C@@H]2c3c(C)[nH]nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001390550 204003175 /nfs/dbraw/zinc/00/31/75/204003175.db2.gz PICQLLZSJKRXHJ-GOSISDBHSA-N 0 0 364.449 3.877 50 30 FHEARN CN(C)N1C(=O)C[C@@H](c2ccc(Cl)cc2Cl)C2=C1CCCC2=O ZINC000001423015 204006253 /nfs/dbraw/zinc/00/62/53/204006253.db2.gz UQEBPFNIEZGRAK-LBPRGKRZSA-N 0 0 353.249 3.793 50 30 FHEARN CC1CCC(OC(=O)CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 ZINC000001430624 204006761 /nfs/dbraw/zinc/00/67/61/204006761.db2.gz QMHSJCCPTUDVGF-UHFFFAOYSA-N 0 0 360.479 3.949 50 30 FHEARN COc1ccc(Oc2cc(C#N)c(C#N)cc2-n2nnc3ccccc32)cc1 ZINC000001443155 204008206 /nfs/dbraw/zinc/00/82/06/204008206.db2.gz IAVNUUQUQNQTCA-UHFFFAOYSA-N 0 0 367.368 3.965 50 30 FHEARN COCCN1C(=O)/C(=C/c2ccc(OC)cc2)S/C1=N\c1ccccc1 ZINC000002142054 204027712 /nfs/dbraw/zinc/02/77/12/204027712.db2.gz JKYOUSSWSZGYNG-PTPABZONSA-N 0 0 368.458 3.946 50 30 FHEARN COc1ccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(OC)c1 ZINC000002196071 204028022 /nfs/dbraw/zinc/02/80/22/204028022.db2.gz UUOFLIYGLOGPNZ-SXGWCWSVSA-N 0 0 358.394 3.735 50 30 FHEARN N#Cc1ccc(CSc2nnc(-c3cnccn3)n2-c2ccccc2)cc1 ZINC000002205133 204028545 /nfs/dbraw/zinc/02/85/45/204028545.db2.gz KEGCIEVHFREQJX-UHFFFAOYSA-N 0 0 370.441 3.888 50 30 FHEARN N#Cc1ccc(NC(=O)C2CCC(C(=O)Nc3ccc(C#N)cc3)CC2)cc1 ZINC000002885051 204066350 /nfs/dbraw/zinc/06/63/50/204066350.db2.gz AVFADNSSYJUTAM-UHFFFAOYSA-N 0 0 372.428 3.814 50 30 FHEARN C=CCSC1=N/C(=C\c2c(OC)cc(OC)cc2OC)C(=O)S1 ZINC000003001046 204073674 /nfs/dbraw/zinc/07/36/74/204073674.db2.gz KKWGJWVOSVVBOL-XFXZXTDPSA-N 0 0 351.449 3.602 50 30 FHEARN CN(CCC#N)C(=O)c1ccc2c(c1)NC(=O)/C(=C/c1ccccc1)S2 ZINC000003058611 204076589 /nfs/dbraw/zinc/07/65/89/204076589.db2.gz BUZYUKYIRUFGSP-PDGQHHTCSA-N 0 0 363.442 3.758 50 30 FHEARN O=C1c2ccccc2OC/C1=C\c1ccccc1I ZINC000003169169 204080937 /nfs/dbraw/zinc/08/09/37/204080937.db2.gz HHLSVGWAXALEOR-FMIVXFBMSA-N 0 0 362.166 3.950 50 30 FHEARN CC(C)CNC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N ZINC000003273385 204087552 /nfs/dbraw/zinc/08/75/52/204087552.db2.gz TYAPBPVBIUPYCO-UHFFFAOYSA-N 0 0 368.458 3.638 50 30 FHEARN Cc1nc2ccc(-n3c(N)c(C#N)c4nc5ccccc5nc43)cc2s1 ZINC000003300018 204088236 /nfs/dbraw/zinc/08/82/36/204088236.db2.gz DHIHLLXDOHRWPT-UHFFFAOYSA-N 0 0 356.414 3.946 50 30 FHEARN C[C@@H]1Cc2ccccc2N1CC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000003316107 204089854 /nfs/dbraw/zinc/08/98/54/204089854.db2.gz TWTYIZJNDUSPEC-CYBMUJFWSA-N 0 0 351.475 3.888 50 30 FHEARN O[C@@H](c1ccccc1)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000002592853 204044669 /nfs/dbraw/zinc/04/46/69/204044669.db2.gz DCYBJXGGLMLHFT-CPCISQLKSA-N 0 0 354.168 3.915 50 30 FHEARN O[C@H](c1ccccc1)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000002592856 204045685 /nfs/dbraw/zinc/04/56/85/204045685.db2.gz DCYBJXGGLMLHFT-RDDDGLTNSA-N 0 0 354.168 3.915 50 30 FHEARN CCOC(=O)c1sc(NC(=O)CSc2ccccc2)c(C#N)c1C ZINC000002764479 204056424 /nfs/dbraw/zinc/05/64/24/204056424.db2.gz JGPYESOBPSRZRL-UHFFFAOYSA-N 0 0 360.460 3.836 50 30 FHEARN CN(C)c1ccc(/C=C/C(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1 ZINC000003911113 204115020 /nfs/dbraw/zinc/11/50/20/204115020.db2.gz FSNAXQRQMVCBKT-WEVVVXLNSA-N 0 0 364.357 3.663 50 30 FHEARN C[S@@](=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1C#N ZINC000004060108 204119459 /nfs/dbraw/zinc/11/94/59/204119459.db2.gz ACLKUAXMPVMBMM-QFIPXVFZSA-N 0 0 353.230 3.855 50 30 FHEARN C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)o1)C1=C(CCCC1=O)N2 ZINC000004137555 204122807 /nfs/dbraw/zinc/12/28/07/204122807.db2.gz MEXBKIYCXWUGLD-HNNXBMFYSA-N 0 0 369.446 3.514 50 30 FHEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc(C)o1 ZINC000004186963 204126272 /nfs/dbraw/zinc/12/62/72/204126272.db2.gz PWJCHSLZWDNADW-WOVYWWTOSA-N 0 0 366.417 3.819 50 30 FHEARN CCOc1cccc2cc(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c(=O)oc21 ZINC000004598237 204149357 /nfs/dbraw/zinc/14/93/57/204149357.db2.gz UCZDSZOAGFGUDE-DHZHZOJOSA-N 0 0 365.341 3.996 50 30 FHEARN O=C1/C(=N/N=C/c2ccccc2O)c2ccccc2N1Cc1ccccc1 ZINC000004611059 204150385 /nfs/dbraw/zinc/15/03/85/204150385.db2.gz XULREDCCGBXQEH-LGLHSBMDSA-N 0 0 355.397 3.762 50 30 FHEARN COc1ccc(/N=C2\NC(=O)/C(=C\c3cc(Cl)ccc3O)S2)cc1 ZINC000004681070 204153700 /nfs/dbraw/zinc/15/37/00/204153700.db2.gz CFBXBHSLPFQBCC-OQLLNIDSSA-N 0 0 360.822 3.946 50 30 FHEARN O=[N+]([O-])c1ccccc1NCC/N=C/c1cc(Br)ccc1O ZINC000004687849 204155397 /nfs/dbraw/zinc/15/53/97/204155397.db2.gz XQHLAIPXRSUODU-LICLKQGHSA-N 0 0 364.199 3.594 50 30 FHEARN COc1cccc(OC)c1C(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 ZINC000004252739 204129776 /nfs/dbraw/zinc/12/97/76/204129776.db2.gz YMGBWNSRDPVVBC-MDZDMXLPSA-N 0 0 358.390 3.626 50 30 FHEARN CCOc1cc(/C=C2\N=C(SCC)SC2=O)ccc1OC(C)=O ZINC000004351334 204134209 /nfs/dbraw/zinc/13/42/09/204134209.db2.gz RMGRZJOQIVGTHQ-WQLSENKSSA-N 0 0 351.449 3.734 50 30 FHEARN CN1C(=O)N[C@@H](c2cccc(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000004387417 204137495 /nfs/dbraw/zinc/13/74/95/204137495.db2.gz UXNIXNGJGZCGDQ-HNNXBMFYSA-N 0 0 363.255 3.788 50 30 FHEARN CCc1cc(SCC(=O)N(CC)CC)n2c3ccccc3nc2c1C#N ZINC000004485534 204140862 /nfs/dbraw/zinc/14/08/62/204140862.db2.gz IEDWGMDKPYORRB-UHFFFAOYSA-N 0 0 366.490 3.882 50 30 FHEARN CN(C)c1ccc(C=[NH+][N-]c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000005334479 204203771 /nfs/dbraw/zinc/20/37/71/204203771.db2.gz YNNQNJUNKGXSDG-LICLKQGHSA-N 0 0 363.215 3.869 50 30 FHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 ZINC000005408774 204207601 /nfs/dbraw/zinc/20/76/01/204207601.db2.gz HWHDGPLQABSYSS-SFHVURJKSA-N 0 0 367.376 3.599 50 30 FHEARN Cc1cccc(NC(=O)[C@@H](C#N)c2nc3ccccc3nc2OC(C)C)c1 ZINC000005451861 204209175 /nfs/dbraw/zinc/20/91/75/204209175.db2.gz AQDOQLMCNQXURN-INIZCTEOSA-N 0 0 360.417 3.971 50 30 FHEARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(C#N)c1 ZINC000005510375 204212487 /nfs/dbraw/zinc/21/24/87/204212487.db2.gz RVICCTMQDUEBSQ-UHFFFAOYSA-N 0 0 362.216 3.576 50 30 FHEARN Cc1c(Cc2ccccc2)sc(/N=C/c2ccc([N+](=O)[O-])o2)c1C(N)=O ZINC000005537609 204213786 /nfs/dbraw/zinc/21/37/86/204213786.db2.gz OJTMWLLWAXRGNR-KEBDBYFISA-N 0 0 369.402 3.998 50 30 FHEARN C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000004857314 204170548 /nfs/dbraw/zinc/17/05/48/204170548.db2.gz UAHLQBDVTZIETF-PIGZYNQJSA-N 0 0 354.431 3.666 50 30 FHEARN COc1cc(C#N)ccc1Oc1cnn(-c2ccccc2)c(=O)c1Cl ZINC000004868189 204171486 /nfs/dbraw/zinc/17/14/86/204171486.db2.gz FYQLZFIDZPQTHC-UHFFFAOYSA-N 0 0 353.765 3.558 50 30 FHEARN CCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000004915055 204176175 /nfs/dbraw/zinc/17/61/75/204176175.db2.gz VKEFRHLIMAMQGZ-CQSZACIVSA-N 0 0 357.450 3.731 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000004919669 204176456 /nfs/dbraw/zinc/17/64/56/204176456.db2.gz XDEMEAPCAVIKCG-YJBOKZPZSA-N 0 0 355.346 3.507 50 30 FHEARN C=CCN1C(=O)[C@H](Cc2ccc(F)cc2)S/C1=N/N=C/c1cccs1 ZINC000004936172 204178247 /nfs/dbraw/zinc/17/82/47/204178247.db2.gz POVNOQUCOMZKBQ-RYSKPNPXSA-N 0 0 373.478 3.950 50 30 FHEARN COc1ccccc1/C=N/n1c(C)nc2sc3c(c2c1=O)CCCC3 ZINC000004949083 204178905 /nfs/dbraw/zinc/17/89/05/204178905.db2.gz QKMKBPKAQTVQFN-RGVLZGJSSA-N 0 0 353.447 3.536 50 30 FHEARN Cc1cccc(N2C(=O)[C@@H](Oc3ccc(Cl)cc3Cl)[C@@H]2C=O)c1C ZINC000004992260 204183429 /nfs/dbraw/zinc/18/34/29/204183429.db2.gz YLVVRXAFZDBZOE-RDJZCZTQSA-N 0 0 364.228 3.972 50 30 aggregator FHEARN COc1ccccc1/C=N/N=C1/NC(=O)[C@H](Cc2cccc(Cl)c2)S1 ZINC000005047060 204186879 /nfs/dbraw/zinc/18/68/79/204186879.db2.gz FONFWOADZKUQFU-YODDIOPGSA-N 0 0 373.865 3.513 50 30 FHEARN COc1ccc(CN2C(=O)CS/C2=N\N=C\c2ccc(Cl)cc2)cc1 ZINC000005047436 204187812 /nfs/dbraw/zinc/18/78/12/204187812.db2.gz CIVRNMYXOVAYKK-MQIUFUGCSA-N 0 0 373.865 3.814 50 30 FHEARN Cc1nc(SCC(=O)N2CCC(c3ccccc3)=N2)c(C#N)c(C)c1C ZINC000005089464 204190506 /nfs/dbraw/zinc/19/05/06/204190506.db2.gz DHCVQRBYRXDSPZ-UHFFFAOYSA-N 0 0 364.474 3.607 50 30 FHEARN COc1ccc(/C(C)=N/N=C2\NC(=O)[C@@H](Cc3cccc(C)c3)S2)cc1 ZINC000005124052 204192482 /nfs/dbraw/zinc/19/24/82/204192482.db2.gz SPSBSBSUQXNRJA-SDLXJUDFSA-N 0 0 367.474 3.558 50 30 FHEARN S=C1N=NC(c2ccncc2)N1N=Cc1c(Cl)cccc1Cl ZINC000005648949 204219564 /nfs/dbraw/zinc/21/95/64/204219564.db2.gz BKXXYQUKLREXKH-QGMBQPNBSA-N 0 0 350.234 3.818 50 30 FHEARN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)cc1 ZINC000005245793 204199806 /nfs/dbraw/zinc/19/98/06/204199806.db2.gz YXWSFIGAPDDQRB-HRAATJIYSA-N 0 0 372.428 3.702 50 30 FHEARN Cc1nn(-c2ccccc2)c2c1C[C@](C#N)(c1ccccn1)[C@H]1CCCN21 ZINC000005689860 204221454 /nfs/dbraw/zinc/22/14/54/204221454.db2.gz LVBJAXYKDWSGLN-IRLDBZIGSA-N 0 0 355.445 3.562 50 30 FHEARN CC1(C)Cc2cccc(OCC(=O)Nc3sc4c(c3C#N)CCC4)c2O1 ZINC000005783164 204224196 /nfs/dbraw/zinc/22/41/96/204224196.db2.gz FNKQMEHDGKIDGG-UHFFFAOYSA-N 0 0 368.458 3.839 50 30 FHEARN CCOc1cccc(C=NN2C(=S)N=NC2c2ccccc2Cl)c1O ZINC000005960237 204231740 /nfs/dbraw/zinc/23/17/40/204231740.db2.gz NWOQCTWMRMVZKP-VXLYETTFSA-N 0 0 374.853 3.874 50 30 FHEARN N#Cc1ccccc1NC(=O)CSC1=Nc2ccccc2[C@@H]2CC=NN12 ZINC000005959819 204231973 /nfs/dbraw/zinc/23/19/73/204231973.db2.gz ONVCBQXNEQCRAV-KRWDZBQOSA-N 0 0 361.430 3.664 50 30 FHEARN CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3ccccc3C#N)C2=O)cc1 ZINC000005979043 204233249 /nfs/dbraw/zinc/23/32/49/204233249.db2.gz QGTXGMKQUKIDAU-QFIPXVFZSA-N 0 0 361.445 3.823 50 30 FHEARN COC(=O)C(C(=O)c1cc(F)c(F)cc1Cl)=C1Nc2ccccc2N1 ZINC000006016590 204233798 /nfs/dbraw/zinc/23/37/98/204233798.db2.gz DKCBJFRYOTTXMA-UHFFFAOYSA-N 0 0 364.735 3.723 50 30 FHEARN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1ncnc2sc3c(c21)CCC3 ZINC000006112725 204237804 /nfs/dbraw/zinc/23/78/04/204237804.db2.gz JYCAGUNQAAVLQC-BBATYDOGSA-N 0 0 374.535 3.715 50 30 FHEARN COc1cc(C#N)cc(Cl)c1OCC(=O)NCc1cccc(Cl)c1 ZINC000006126798 204238685 /nfs/dbraw/zinc/23/86/85/204238685.db2.gz FYDQWUDGZVUCDH-UHFFFAOYSA-N 0 0 365.216 3.569 50 30 FHEARN C#CCOc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OCC ZINC000006410284 204247002 /nfs/dbraw/zinc/24/70/02/204247002.db2.gz RDEUZKNHLFLXSY-VMPITWQZSA-N 0 0 364.397 3.765 50 30 FHEARN N#Cc1ccc(NC(=O)c2ccccc2SCC(=O)N2CCCC2)cc1 ZINC000006543674 204252724 /nfs/dbraw/zinc/25/27/24/204252724.db2.gz AOHSCYRRFNVKDT-UHFFFAOYSA-N 0 0 365.458 3.525 50 30 FHEARN Cc1ccc(NC(=O)ONC(N)=CC(=O)Nc2ccccc2C)cc1Cl ZINC000006585918 204255011 /nfs/dbraw/zinc/25/50/11/204255011.db2.gz FSIYJXBGAIRQFY-UHFFFAOYSA-N 0 0 374.828 3.806 50 30 FHEARN Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1sccc1C#N ZINC000006881796 204280013 /nfs/dbraw/zinc/28/00/13/204280013.db2.gz GYAMLDIKXUMWAA-UHFFFAOYSA-N 0 0 350.447 3.994 50 30 FHEARN CCOc1ccc(NC(=NS(=O)(=O)c2ccccc2)C(F)(F)F)cc1 ZINC000006710564 204261753 /nfs/dbraw/zinc/26/17/53/204261753.db2.gz CBPKJGJDILVQPA-UHFFFAOYSA-N 0 0 372.368 3.847 50 30 FHEARN CCCN1c2ccccc2/C(=N/NC(=S)Nc2cc(C)ccc2C)C1=O ZINC000006708933 204262127 /nfs/dbraw/zinc/26/21/27/204262127.db2.gz KQNYDTDCTCXVFA-PYCFMQQDSA-N 0 0 366.490 3.751 50 30 FHEARN CC(N=Nc1nn2cnnc2c2ccccc21)c1ccc(Cl)c(Cl)c1 ZINC000006780399 204269014 /nfs/dbraw/zinc/26/90/14/204269014.db2.gz KZZAWGNILUQXPT-UFFVCSGVSA-N 0 0 371.231 3.842 50 30 FHEARN Cc1nn(CC(=O)Nc2c(C(C)C)cccc2C(C)C)c(=O)c(C#N)c1C ZINC000007441906 204297749 /nfs/dbraw/zinc/29/77/49/204297749.db2.gz RZKGMOPOQGJJKL-UHFFFAOYSA-N 0 0 366.465 3.617 50 30 FHEARN CC(=O)C1=NN(c2ccc(C)cc2)[C@]2(S1)SC(C(C)=O)=C(C)N2C ZINC000006809965 204272384 /nfs/dbraw/zinc/27/23/84/204272384.db2.gz RMGFECJSHLGYSP-KRWDZBQOSA-N 0 0 361.492 3.561 50 30 FHEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2F)cc1 ZINC000006819746 204273568 /nfs/dbraw/zinc/27/35/68/204273568.db2.gz SHNSJIYHHFCBLI-YOEHRIQHSA-N 0 0 365.404 3.839 50 30 FHEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3cnn(-c4ccccc4)n3)sc2C1 ZINC000007717883 204304284 /nfs/dbraw/zinc/30/42/84/204304284.db2.gz POAHJSJSFSEWMB-LBPRGKRZSA-N 0 0 363.446 3.578 50 30 FHEARN N#CCSc1ccccc1NC(=O)Cn1c(=O)oc2cc(Cl)ccc21 ZINC000007866812 204308850 /nfs/dbraw/zinc/30/88/50/204308850.db2.gz ISNBDIDZXPHEGL-UHFFFAOYSA-N 0 0 373.821 3.502 50 30 FHEARN N#Cc1c(NC(=O)COc2ccc3c(c2)OCO3)sc2c1CCCCC2 ZINC000008313526 204326850 /nfs/dbraw/zinc/32/68/50/204326850.db2.gz GXUJNSVPAPURIN-UHFFFAOYSA-N 0 0 370.430 3.635 50 30 FHEARN CCCCCCCCn1c(SCCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000008396867 204330142 /nfs/dbraw/zinc/33/01/42/204330142.db2.gz RANNRPCYFRQNRM-UHFFFAOYSA-N 0 0 366.531 3.676 50 30 FHEARN CCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(Br)cc1 ZINC000008468868 204332260 /nfs/dbraw/zinc/33/22/60/204332260.db2.gz GBOXZFUELGXKBG-AWEZNQCLSA-N 0 0 352.228 3.534 50 30 FHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 ZINC000009089563 204354591 /nfs/dbraw/zinc/35/45/91/204354591.db2.gz MUXKINWBRJXFLV-LJQANCHMSA-N 0 0 363.413 3.768 50 30 FHEARN COc1ccc(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccnc2)cc1 ZINC000009306653 204362567 /nfs/dbraw/zinc/36/25/67/204362567.db2.gz HZMQAEDXABGDFV-UHFFFAOYSA-N 0 0 360.417 3.551 50 30 FHEARN O=C1N/C(=N/c2ccccc2)S/C1=C\c1cc(F)cc2c1OCOC2 ZINC000009377330 204365832 /nfs/dbraw/zinc/36/58/32/204365832.db2.gz NXYMIFQYYVWSRI-NVNXTCNLSA-N 0 0 356.378 3.584 50 30 FHEARN Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1CCC(=O)Nc1ccccc1 ZINC000009418727 204366579 /nfs/dbraw/zinc/36/65/79/204366579.db2.gz STSMXECHPQIAEG-UHFFFAOYSA-N 0 0 370.412 3.532 50 30 FHEARN COc1cc(/C=C2\Cc3c(cccc3O)C2=O)cc(Br)c1O ZINC000009954493 204387902 /nfs/dbraw/zinc/38/79/02/204387902.db2.gz YNADKTOPFFMODY-BJMVGYQFSA-N 0 0 361.191 3.691 50 30 FHEARN CCOC(=O)C(=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[N+](=O)[O-] ZINC000013469447 204531529 /nfs/dbraw/zinc/53/15/29/204531529.db2.gz URLJQKLFHVTUFX-UXBLZVDNSA-N 0 0 372.221 3.817 50 30 FHEARN CN=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000017123337 204650954 /nfs/dbraw/zinc/65/09/54/204650954.db2.gz YIIZNABWNNMZSN-HNNXBMFYSA-N 0 0 373.865 3.612 50 30 FHEARN Cc1cc([O-])c(C[NH+]2CCC(C)CC2)c2c1C(=O)/C(=C\c1cccnc1)O2 ZINC000037857542 205033185 /nfs/dbraw/zinc/03/31/85/205033185.db2.gz ORDXGXKFAFMEQL-YBFXNURJSA-N 0 0 364.445 3.944 50 30 FHEARN Cc1nnc(COC(=O)c2ccccc2Sc2ccccc2C#N)o1 ZINC000039610534 205048255 /nfs/dbraw/zinc/04/82/55/205048255.db2.gz HJZTVOOAPMLROL-UHFFFAOYSA-N 0 0 351.387 3.758 50 30 FHEARN Cc1ccc(S(=O)(=O)C(NC(=N)c2ccccc2)=C(Cl)Cl)cc1 ZINC000049549346 205174885 /nfs/dbraw/zinc/17/48/85/205174885.db2.gz NRXINGLUBMITGS-UHFFFAOYSA-N 0 0 369.273 3.778 50 30 FHEARN O=C(/C=C\c1ccc(Br)cc1F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000050647646 205179203 /nfs/dbraw/zinc/17/92/03/205179203.db2.gz VJBQXFMWNAVAIB-UTCJRWHESA-N 0 0 361.170 3.654 50 30 FHEARN COc1ccc(/C=N/N=C2\S[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000051366815 205181983 /nfs/dbraw/zinc/18/19/83/205181983.db2.gz ZMXZUQGYBSJGQZ-CSMPYOBQSA-N 0 0 371.437 3.688 50 30 FHEARN Cc1nnc(Oc2ccc(S(=O)(=O)c3ccccc3)cc2)c(C#N)c1C ZINC000052407359 205184848 /nfs/dbraw/zinc/18/48/48/205184848.db2.gz INEBZIZLHJDLIT-UHFFFAOYSA-N 0 0 365.414 3.590 50 30 FHEARN COc1ccccc1C1(CNc2snc(Cl)c2C#N)CCOCC1 ZINC000057150165 205235109 /nfs/dbraw/zinc/23/51/09/205235109.db2.gz UXBOCAMGTMZDMW-UHFFFAOYSA-N 0 0 363.870 3.837 50 30 FHEARN N#CCCN(C(=O)CN1CCc2sccc2C1)c1cccc(Cl)c1 ZINC000057648158 205242182 /nfs/dbraw/zinc/24/21/82/205242182.db2.gz DJEGPTBEWYZGFL-UHFFFAOYSA-N 0 0 359.882 3.706 50 30 FHEARN O=C(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1nc[nH]n1 ZINC000058173508 205254601 /nfs/dbraw/zinc/25/46/01/205254601.db2.gz ZLXGBFWDIWIIJP-UHFFFAOYSA-N 0 0 362.368 3.627 50 30 FHEARN C[C@@H](NC(=O)/C=C/c1ccc(C#N)cc1)c1nc(-c2ccc(F)cc2)no1 ZINC000058209057 205260328 /nfs/dbraw/zinc/26/03/28/205260328.db2.gz JGTZDHSKTWPOQI-ASJRZHAZSA-N 0 0 362.364 3.638 50 30 FHEARN Cc1ccc(-c2nc(NC(=O)C3=NO[C@@H](c4ccccc4)C3)n[nH]2)s1 ZINC000058228371 205266066 /nfs/dbraw/zinc/26/60/66/205266066.db2.gz GHPFVNSLLPQZRO-CYBMUJFWSA-N 0 0 353.407 3.947 50 30 FHEARN N#Cc1ccccc1OCC(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000058406980 205274283 /nfs/dbraw/zinc/27/42/83/205274283.db2.gz JAXUCJPFBJXQKL-UHFFFAOYSA-N 0 0 368.443 3.578 50 30 FHEARN C=CCn1c(SC)nnc1-c1cccn(Cc2ccc(Cl)cc2)c1=O ZINC000003133791 205290344 /nfs/dbraw/zinc/29/03/44/205290344.db2.gz REVQVOOBZMECCU-UHFFFAOYSA-N 0 0 372.881 3.716 50 30 FHEARN Cc1ccc2c(C(=O)N3CCC(C#N)CC3)cc(-c3cncnc3)nc2c1C ZINC000063881586 205295378 /nfs/dbraw/zinc/29/53/78/205295378.db2.gz WYCARCUNWIAMNQ-UHFFFAOYSA-N 0 0 371.444 3.684 50 30 FHEARN Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2cccc(C#N)c2)cc1 ZINC000064837763 205305322 /nfs/dbraw/zinc/30/53/22/205305322.db2.gz ZZKJDNLEXKSUKX-UHFFFAOYSA-N 0 0 353.403 3.631 50 30 FHEARN Cc1ccc2c(ncc(C(=O)N3CCCC3)c2Nc2ccc(C#N)cc2)n1 ZINC000065114345 205317654 /nfs/dbraw/zinc/31/76/54/205317654.db2.gz WVTJWTZDZIHHOY-UHFFFAOYSA-N 0 0 357.417 3.790 50 30 FHEARN CCc1nnc(-c2cc(NC(=O)c3ccc(C#N)cc3F)c(C)s2)o1 ZINC000065149291 205319762 /nfs/dbraw/zinc/31/97/62/205319762.db2.gz VLRSGWIDCYJZDD-UHFFFAOYSA-N 0 0 356.382 3.932 50 30 FHEARN CCCCn1nc(C(=O)Nc2ccccc2S[C@@H](C)CC#N)ccc1=O ZINC000065453244 205351484 /nfs/dbraw/zinc/35/14/84/205351484.db2.gz FTDCRTSBCAKEIO-AWEZNQCLSA-N 0 0 370.478 3.690 50 30 FHEARN CC(C)c1nccn1[C@H](C)C(=O)N1CCC(C#N)(c2ccccc2)CC1 ZINC000065397529 205346022 /nfs/dbraw/zinc/34/60/22/205346022.db2.gz JEHBVYGDBAMWCU-QGZVFWFLSA-N 0 0 350.466 3.651 50 30 FHEARN N#Cc1c(N)nc(-c2ccc(O)cc2)cc1-c1cccn1-c1cccnc1 ZINC000067674223 205379364 /nfs/dbraw/zinc/37/93/64/205379364.db2.gz LNOVFNAXIKBZLG-UHFFFAOYSA-N 0 0 353.385 3.761 50 30 FHEARN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N[C@]1(C#N)CCSC1 ZINC000069118750 205414532 /nfs/dbraw/zinc/41/45/32/205414532.db2.gz ALCOIJJLFPJZNH-SFHVURJKSA-N 0 0 357.504 3.864 50 30 FHEARN COc1nc(N)c2c(c1C#N)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccccc1 ZINC000078547433 205625785 /nfs/dbraw/zinc/62/57/85/205625785.db2.gz SEXYPGWFFSDXDX-MRXNPFEDSA-N 0 0 374.444 3.745 50 30 FHEARN O=C1CCCC2=C1[C@@H](c1ccccc1[N+](=O)[O-])c1cc3c(cc1N2)OCO3 ZINC000018196715 220227221 /nfs/dbraw/zinc/22/72/21/220227221.db2.gz XUYWGKHIKMRKON-IBGZPJMESA-N 0 0 364.357 3.888 50 30 FHEARN N#CCCSc1ccccc1NC(=O)c1cccnc1N1CCCC1 ZINC000095944768 205796547 /nfs/dbraw/zinc/79/65/47/205796547.db2.gz CQVKUIJRDALXSM-UHFFFAOYSA-N 0 0 352.463 3.940 50 30 FHEARN C=C1CN(C(C)=O)C[C@@H]1CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000095708070 205793506 /nfs/dbraw/zinc/79/35/06/205793506.db2.gz CFZPILZXWJKGJJ-QMMMGPOBSA-N 0 0 357.216 3.879 50 30 FHEARN Cc1ccc(S(=O)(=O)N=C2C=C(C(C)C)C(=O)C(Cl)=C2C)cc1 ZINC000100706869 205946332 /nfs/dbraw/zinc/94/63/32/205946332.db2.gz WRWRNLJDEPGTRT-CYVLTUHYSA-N 0 0 351.855 3.803 50 30 FHEARN CC1(C)CC(=O)C(=C2Nc3ccc(C(=O)c4ccccc4)cc3N2)C(=O)C1 ZINC000100295095 205942123 /nfs/dbraw/zinc/94/21/23/205942123.db2.gz UIJGSEGIWXGSLR-UHFFFAOYSA-N 0 0 360.413 3.925 50 30 FHEARN C=CCNC(=O)Cc1ccc(N(Cc2ccccc2)C(=O)c2ccco2)cc1 ZINC000037556089 206036333 /nfs/dbraw/zinc/03/63/33/206036333.db2.gz ZYBOGLSAVVOHLR-UHFFFAOYSA-N 0 0 374.440 3.971 50 30 FHEARN C=CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1nnc(C)s1 ZINC000044085676 206063599 /nfs/dbraw/zinc/06/35/99/206063599.db2.gz NSTOPDQGZBLZQG-UHFFFAOYSA-N 0 0 371.491 3.627 50 30 FHEARN COCCn1c(-c2ccc(Br)cc2)cnc1SCC#N ZINC000044085281 206064511 /nfs/dbraw/zinc/06/45/11/206064511.db2.gz WRTAPSLHWXSPCL-UHFFFAOYSA-N 0 0 352.257 3.575 50 30 FHEARN C=CCN(c1ccccc1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F ZINC000225549227 206118889 /nfs/dbraw/zinc/11/88/89/206118889.db2.gz NDWBWIDRLRQSPL-UHFFFAOYSA-N 0 0 370.789 3.769 50 30 FHEARN C=CCn1c(N)c(C(=O)Nc2cccc(F)c2)c2nc3ccccc3nc21 ZINC000002291211 206154894 /nfs/dbraw/zinc/15/48/94/206154894.db2.gz FZAYCHLKWGWQPY-UHFFFAOYSA-N 0 0 361.380 3.744 50 30 FHEARN O=C(C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccc(F)cc1)C(F)(F)F ZINC000003175257 206156856 /nfs/dbraw/zinc/15/68/56/206156856.db2.gz XKJQUBQQCPBECX-OAHLLOKOSA-N 0 0 364.298 3.722 50 30 FHEARN Cc1cc2nnc(SCC(=O)Nc3ccccc3C#N)n2c2ccccc12 ZINC000001465567 206149918 /nfs/dbraw/zinc/14/99/18/206149918.db2.gz XTTSEQSEWQUSLC-UHFFFAOYSA-N 0 0 373.441 3.793 50 30 FHEARN Cc1ccc(/C=N/N=C2/S[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000004909600 206185795 /nfs/dbraw/zinc/18/57/95/206185795.db2.gz GWKGJNDKCUCJBS-QAEBVTEASA-N 0 0 355.438 3.988 50 30 FHEARN CC1(C)CC(=O)C(C(c2ccncc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100131716 206222305 /nfs/dbraw/zinc/22/23/05/206222305.db2.gz ZTFXSAITONWPBY-SFHVURJKSA-N 0 0 369.461 3.941 50 30 FHEARN Cc1c(NC=C2Sc3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C ZINC000100549235 206223290 /nfs/dbraw/zinc/22/32/90/206223290.db2.gz QEKQZAKEWROYJW-ATVHPVEESA-N 0 0 363.442 3.726 50 30 FHEARN CCn1c2c(s/c1=N\C(=O)c1ccc(C#N)cc1)c(C)ccc2OC ZINC000100908748 206225959 /nfs/dbraw/zinc/22/59/59/206225959.db2.gz NXSRTERBRFNQPB-VZCXRCSSSA-N 0 0 351.431 3.653 50 30 FHEARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)n2ncc(C#N)c2N1 ZINC000101470874 206227759 /nfs/dbraw/zinc/22/77/59/206227759.db2.gz SYGHDZGHBAQFOP-KRWDZBQOSA-N 0 0 361.430 3.744 50 30 FHEARN C=C(C)COc1ccc2c(C)c(CC(=O)Nc3cccnc3)c(=O)oc2c1 ZINC000008792552 206219194 /nfs/dbraw/zinc/21/91/94/206219194.db2.gz LGZYLOHOXDCKIT-UHFFFAOYSA-N 0 0 364.401 3.633 50 30 FHEARN C=CCN1c2ccc(NC(=O)c3cccs3)cc2OCC(C)(C)C1=O ZINC000008958762 206220249 /nfs/dbraw/zinc/22/02/49/206220249.db2.gz CUXXFKKEXUAJDH-UHFFFAOYSA-N 0 0 356.447 3.938 50 30 FHEARN C#CCOc1ccc(Br)cc1C=C1C(=O)c2ccccc2C1=O ZINC000003765206 206235181 /nfs/dbraw/zinc/23/51/81/206235181.db2.gz ZEQDUQLVVYSQPM-UHFFFAOYSA-N 0 0 367.198 3.924 50 30 FHEARN Cc1ccc([C@@H]2C3=C(Nc4c2c(=O)[nH]c(=O)n4C)c2ccccc2C3=O)cc1 ZINC000104155397 206236409 /nfs/dbraw/zinc/23/64/09/206236409.db2.gz JTPQKAKOGAIKMJ-OAHLLOKOSA-N 0 0 371.396 3.727 50 30 FHEARN Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Cc3ccccc3C)o2)cc1 ZINC000170623819 206276824 /nfs/dbraw/zinc/27/68/24/206276824.db2.gz NQMZFATYPFKROT-UHFFFAOYSA-N 0 0 352.415 3.804 50 30 FHEARN O=C1C[C@@H](c2ccco2)CC2=Nc3nonc3N[C@@H](c3ccccc3F)C12 ZINC000012389093 206291067 /nfs/dbraw/zinc/29/10/67/206291067.db2.gz TVHQTECTFYYQIP-BTDLBPIBSA-N 0 0 366.352 3.781 50 30 FHEARN C[C@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000016623878 206319289 /nfs/dbraw/zinc/31/92/89/206319289.db2.gz CVSOXFGMPVUBEO-CQSZACIVSA-N 0 0 367.415 3.868 50 30 FHEARN O=C1C[C@@H](c2ccccc2)CC2=Nc3ncnn3[C@H](c3ccc(F)cc3)C12 ZINC000016975703 206321436 /nfs/dbraw/zinc/32/14/36/206321436.db2.gz RHDFSFOXMIXPND-MGPUTAFESA-N 0 0 360.392 3.833 50 30 FHEARN Cc1ccc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)C[C@H](c2ccco2)C3)o1 ZINC000018200457 206324995 /nfs/dbraw/zinc/32/49/95/206324995.db2.gz UWXSBQZRZHAZTC-HWPZZCPQSA-N 0 0 351.362 3.568 50 30 FHEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000019315142 206325334 /nfs/dbraw/zinc/32/53/34/206325334.db2.gz SMGPLZYAYNCHSS-KRWDZBQOSA-N 0 0 370.405 3.516 50 30 FHEARN COc1ccc(/C=N/N=C2/S[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000013581988 206304489 /nfs/dbraw/zinc/30/44/89/206304489.db2.gz ZMXZUQGYBSJGQZ-GOLOZUJYSA-N 0 0 371.437 3.688 50 30 FHEARN C=CCNC(=O)c1c(NC(=O)c2ccccc2OC)sc2c1CCCC2 ZINC000002677507 206339669 /nfs/dbraw/zinc/33/96/69/206339669.db2.gz WNSUZDHUABZCSN-UHFFFAOYSA-N 0 0 370.474 3.804 50 30 FHEARN C=CCOc1c(Br)c(Br)c(C=O)cc1OCC ZINC000002763062 206344964 /nfs/dbraw/zinc/34/49/64/206344964.db2.gz IOHUPFCAYMTGNF-UHFFFAOYSA-N 0 0 364.033 3.988 50 30 FHEARN N#Cc1ccc(NCC(=O)N2N=C(c3ccco3)C[C@@H]2c2ccco2)cc1 ZINC000055530973 206380809 /nfs/dbraw/zinc/38/08/09/206380809.db2.gz PAUDFNPZISJPFQ-QGZVFWFLSA-N 0 0 360.373 3.534 50 30 FHEARN CCN1C(=O)/C(=C\c2nc(C#N)c(Nc3ccc(C)cc3)o2)SC1=S ZINC000026841487 206447065 /nfs/dbraw/zinc/44/70/65/206447065.db2.gz SMMUILQUMFGVHA-MDWZMJQESA-N 0 0 370.459 3.819 50 30 FHEARN CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000030371229 206499677 /nfs/dbraw/zinc/49/96/77/206499677.db2.gz PMFDSJYPQUHRMA-HNNXBMFYSA-N 0 0 366.389 3.589 50 30 FHEARN CNc1ccc(Br)cc(C(=O)/C=C\c2ccc(OC)cc2)c1=O ZINC000097474785 206544266 /nfs/dbraw/zinc/54/42/66/206544266.db2.gz UWBCNTCTAWMNBH-YHYXMXQVSA-N 0 0 374.234 3.756 50 30 FHEARN COc1cccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c1OC ZINC000020171715 220317526 /nfs/dbraw/zinc/31/75/26/220317526.db2.gz VRNWQFAUNRGABO-HYARGMPZSA-N 0 0 373.884 3.509 50 30 FHEARN N#Cc1cccc(Br)c1N1CCN(Cc2ccccc2)CC1 ZINC000095080972 132206678 /nfs/dbraw/zinc/20/66/78/132206678.db2.gz DQRQFVWKZGBYOI-UHFFFAOYSA-N 0 0 356.267 3.643 50 30 FHEARN N#Cc1ccc(C(=O)/C=C\c2cc3ccccc3nc2N2CCOCC2)cc1 ZINC000096766332 132226028 /nfs/dbraw/zinc/22/60/28/132226028.db2.gz BBBZMTNRRORHEY-KTKRTIGZSA-N 0 0 369.424 3.839 50 30 FHEARN C=CCNC(=O)c1ccc(N2CCCN(Cc3cccc(C)c3)C2=O)cc1 ZINC000064687864 132305279 /nfs/dbraw/zinc/30/52/79/132305279.db2.gz YKACBDQYKYKKPM-UHFFFAOYSA-N 0 0 363.461 3.743 50 30 FHEARN C=CCOc1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000004841916 132306197 /nfs/dbraw/zinc/30/61/97/132306197.db2.gz OFSQGVFILJOEAH-UHFFFAOYSA-N 0 0 356.853 3.867 50 30 FHEARN CC(=C1C(=O)c2ccccc2C1=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000001142521 132380391 /nfs/dbraw/zinc/38/03/91/132380391.db2.gz IPDSVTTXYGAGPJ-UHFFFAOYSA-N 0 0 366.848 3.815 50 30 FHEARN O=C1c2ccccc2N(c2ccccc2)C(=O)[C@]1(c1ccccc1)[N+](=O)[O-] ZINC000002159170 132382718 /nfs/dbraw/zinc/38/27/18/132382718.db2.gz HFYDFNXJRQJRDP-OAQYLSRUSA-N 0 0 358.353 3.720 50 30 FHEARN CN(Cc1ccccc1N1CCCCC1)C(=O)COc1ccc(C#N)cc1 ZINC000012550203 132860291 /nfs/dbraw/zinc/86/02/91/132860291.db2.gz NSKUSIDYXBFAEA-UHFFFAOYSA-N 0 0 363.461 3.586 50 30 FHEARN COc1ccc(N[C@H]2CCCN(c3nc(C)cc(C)c3C#N)C2)cc1OC ZINC000072166135 136143549 /nfs/dbraw/zinc/14/35/49/136143549.db2.gz MLZLGKAZUGBVST-KRWDZBQOSA-N 0 0 366.465 3.668 50 30 FHEARN N#Cc1ccc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000003325647 136151731 /nfs/dbraw/zinc/15/17/31/136151731.db2.gz IAVUGMBLCWYJGG-UHFFFAOYSA-N 0 0 359.351 3.539 50 30 FHEARN N#Cc1c2c(c(NN=Cc3cccnc3)n3c4ccccc4nc13)CCC2 ZINC000103677041 222341389 /nfs/dbraw/zinc/34/13/89/222341389.db2.gz KJBLJBMVZJJINK-CFRMEGHHSA-N 0 0 352.401 3.689 50 30 FHEARN CSc1nnc(-c2ccccc2)n1N=Cc1c[nH]nc1-c1ccccc1 ZINC000001121297 263142750 /nfs/dbraw/zinc/14/27/50/263142750.db2.gz FPHROOZXAHYQJO-FYJGNVAPSA-N 0 0 360.446 3.939 50 30 FHEARN C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)ONC(=N)c1ccccc1 ZINC000005065671 263338718 /nfs/dbraw/zinc/33/87/18/263338718.db2.gz OQPVTIGUMOYIEY-JTQLQIEISA-N 0 0 353.205 3.624 50 30 FHEARN C=CCOc1ccc(/C=C/C(=O)O[C@H](C)C(=O)N(C)c2ccccc2)cc1 ZINC000005079607 263338769 /nfs/dbraw/zinc/33/87/69/263338769.db2.gz VKAUMUPYPFJKLR-OKACTXMXSA-N 0 0 365.429 3.859 50 30 FHEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccco1)c1ccc(F)cc1 ZINC000005409213 263341272 /nfs/dbraw/zinc/34/12/72/263341272.db2.gz AVDNOPLQNQRYKG-KRWDZBQOSA-N 0 0 367.332 3.790 50 30 FHEARN COC(=O)[C@@H](Cc1ccccc1)NC(C)=CC(=O)c1ccc(Cl)cc1 ZINC000006550622 263346090 /nfs/dbraw/zinc/34/60/90/263346090.db2.gz CCCJQFBPCMUUOO-QIXNEVBVSA-N 0 0 357.837 3.800 50 30 FHEARN Cc1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)C)ccc3C2=O)cc1 ZINC000008991245 263357906 /nfs/dbraw/zinc/35/79/06/263357906.db2.gz WDVVEQUQXKTLLT-GRSHGNNSSA-N 0 0 352.386 3.942 50 30 FHEARN C=CCSc1ccccc1NC(=O)CNC(=O)NCc1ccc(C)cc1 ZINC000010037075 263363003 /nfs/dbraw/zinc/36/30/03/263363003.db2.gz PQVVBWHZIJITGN-UHFFFAOYSA-N 0 0 369.490 3.711 50 30 FHEARN Cc1nc(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[nH]c1Cc1ccccc1 ZINC000009946755 263363233 /nfs/dbraw/zinc/36/32/33/263363233.db2.gz ZFDXFDLCDVTODK-YWZLYKJASA-N 0 0 370.522 3.844 50 30 FHEARN C=CCn1cnnc1S[C@H](C)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000022132854 263385153 /nfs/dbraw/zinc/38/51/53/263385153.db2.gz WYYGFTSILXTWQU-CRRKTRLDSA-N 0 0 368.506 3.825 50 30 FHEARN CC(C)c1nnc([C@H](C)NC(=O)c2ccc(-c3cc(C#N)ccn3)cc2)o1 ZINC000426504410 263611936 /nfs/dbraw/zinc/61/19/36/263611936.db2.gz CORDWMRJCIHILX-ZDUSSCGKSA-N 0 0 361.405 3.618 50 30 FHEARN C#CCn1c2c(cccc2OC)s/c1=N\C(=O)c1ccc(Cl)s1 ZINC000002715632 518340670 /nfs/dbraw/zinc/34/06/70/518340670.db2.gz QLSLKIKHHYNILC-VLGSPTGOSA-N 0 0 362.863 3.801 50 30 FHEARN C#CCn1c2c(cccc2OCC)s/c1=N\C(=O)c1ccccc1F ZINC000100910343 518341974 /nfs/dbraw/zinc/34/19/74/518341974.db2.gz LNNFJVGSMOFSCT-VZCXRCSSSA-N 0 0 354.406 3.615 50 30 FHEARN C/C(=N\OCO/N=C(/C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000004776584 518471921 /nfs/dbraw/zinc/47/19/21/518471921.db2.gz XKMDRLSRYKKHMY-MGYAYREDSA-N 0 0 372.337 3.642 50 30 FHEARN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@H](C)COc1ccccc1C(F)(F)F ZINC000225589264 518647393 /nfs/dbraw/zinc/64/73/93/518647393.db2.gz QRNVRZGUOQPWJP-CKEIUWERSA-N 0 0 371.399 3.960 50 30 FHEARN C=C/C=C/CC1=C(C)[C@H](OC(=O)[C@@H]2[C@@H](/C=C(\C)C(=O)OC)C2(C)C)CC1=O ZINC000032169494 518656192 /nfs/dbraw/zinc/65/61/92/518656192.db2.gz VJFUPGQZSXIULQ-XIZLYXQKSA-N 0 0 372.461 3.711 50 30 FHEARN C=CCN(C(=O)CCNC(=O)c1ccsc1)c1nc2ccccc2s1 ZINC000024865601 518729372 /nfs/dbraw/zinc/72/93/72/518729372.db2.gz GGGBXVYUWPISOU-UHFFFAOYSA-N 0 0 371.487 3.697 50 30 FHEARN C=CCN(Cc1nc(-c2ccccc2)no1)Cc1c(Cl)n(C)nc1CC ZINC000065527410 518799186 /nfs/dbraw/zinc/79/91/86/518799186.db2.gz HKFCLCJOYNJCOK-UHFFFAOYSA-N 0 0 371.872 3.874 50 30 FHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)[C@H](C)Oc1ccccc1 ZINC000007759366 518799501 /nfs/dbraw/zinc/79/95/01/518799501.db2.gz OHSSEQUWWOZFDX-INIZCTEOSA-N 0 0 363.417 3.719 50 30 FHEARN C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccccc1Cl ZINC000009095015 518941399 /nfs/dbraw/zinc/94/13/99/518941399.db2.gz SLNQLLNIDKNYDT-ZDUSSCGKSA-N 0 0 358.825 3.662 50 30 FHEARN C=CCNc1ccccc1C(=O)N(Cc1ccc2c(c1)OCO2)C1CC1 ZINC000055413686 518961472 /nfs/dbraw/zinc/96/14/72/518961472.db2.gz KRFGQKNFJRJGRK-UHFFFAOYSA-N 0 0 350.418 3.818 50 30 FHEARN C=CCOc1ccc(C(=O)NCc2cc(Cl)cc3c2OCC3)cc1OC ZINC000096013931 519026635 /nfs/dbraw/zinc/02/66/35/519026635.db2.gz GKJBHUJNTIQZBD-UHFFFAOYSA-N 0 0 373.836 3.778 50 30 FHEARN C=CCn1c(C)cc(C(=O)COC(=O)c2cccc(OC(F)F)c2)c1C ZINC000003371271 519169510 /nfs/dbraw/zinc/16/95/10/519169510.db2.gz XJHDJRQWIPTEKS-UHFFFAOYSA-N 0 0 363.360 3.932 50 30 FHEARN C=CCn1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21 ZINC000002396450 519193980 /nfs/dbraw/zinc/19/39/80/519193980.db2.gz IRQKHLBSTSDNKI-UHFFFAOYSA-N 0 0 358.401 3.710 50 30 FHEARN C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1F ZINC000004816256 519206166 /nfs/dbraw/zinc/20/61/66/519206166.db2.gz CTXKGBVSTAWWGN-UHFFFAOYSA-N 0 0 374.485 3.811 50 30 FHEARN C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccccn1 ZINC000002544573 519232482 /nfs/dbraw/zinc/23/24/82/519232482.db2.gz CIZLISYVEOAIPR-UHFFFAOYSA-N 0 0 354.410 3.640 50 30 FHEARN C=CCn1c(SCCCC(=O)OCC)nnc1-c1ccc(OC)cc1 ZINC000004357267 519234896 /nfs/dbraw/zinc/23/48/96/519234896.db2.gz UXIUKBGLUXRPOO-UHFFFAOYSA-N 0 0 361.467 3.575 50 30 FHEARN C=CCn1c2ccccc2nc1SCC(=O)NCc1ccccc1OC ZINC000005619063 519267395 /nfs/dbraw/zinc/26/73/95/519267395.db2.gz GYSBCWGXPWYVIJ-UHFFFAOYSA-N 0 0 367.474 3.639 50 30 FHEARN C=CCn1cc(CN2CCc3nc[nH]c3[C@@H]2c2ccc(Cl)s2)cn1 ZINC000067803908 519280247 /nfs/dbraw/zinc/28/02/47/519280247.db2.gz XDLVFKAWWZWADP-KRWDZBQOSA-N 0 0 359.886 3.655 50 30 FHEARN CC#CCn1ccc(-c2cccc(-c3ccc(S(C)(=O)=O)cc3)c2)n1 ZINC000019798606 519347223 /nfs/dbraw/zinc/34/72/23/519347223.db2.gz SKMMISIHXHLVPG-UHFFFAOYSA-N 0 0 350.443 3.644 50 30 FHEARN CCCCCCCCC(=O)N1CCC2(CC1)Nc1ccccc1C(=O)N2 ZINC000102995967 519970092 /nfs/dbraw/zinc/97/00/92/519970092.db2.gz LXHSPMQOCCMBRL-UHFFFAOYSA-N 0 0 357.498 3.911 50 30 FHEARN CCCCCCCCCCCCCCCC(=O)N1CC(=O)NC(=O)C1 ZINC000097944150 519988464 /nfs/dbraw/zinc/98/84/64/519988464.db2.gz YUFFDIFQOPVPBX-UHFFFAOYSA-N 0 0 352.519 3.953 50 30 FHEARN CCCCCCCCOCCNC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000100282659 520041838 /nfs/dbraw/zinc/04/18/38/520041838.db2.gz GFUHMQDKXYEGSG-UHFFFAOYSA-N 0 0 367.486 3.819 50 30 biogenic,in-vitro FHEARN CCCCCCCNC(=O)c1ccc(NC[C@@H]2CCCO2)c([N+](=O)[O-])c1 ZINC000102771497 520054708 /nfs/dbraw/zinc/05/47/08/520054708.db2.gz WGRCCJMKEAKFAT-INIZCTEOSA-N 0 0 363.458 3.886 50 30 FHEARN CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)N[C@@H](C)c2ccccc2)C1=O ZINC000103139432 520067505 /nfs/dbraw/zinc/06/75/05/520067505.db2.gz JQNXNXZBSJUPKS-HRAATJIYSA-N 0 0 373.497 3.535 50 30 FHEARN CCOc1cc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)ccc1O ZINC000252429369 520692541 /nfs/dbraw/zinc/69/25/41/520692541.db2.gz HSZJUIKSZCWQCN-UHFFFAOYSA-N 0 0 374.853 3.874 50 30 FHEARN COc1cc(C(=O)[C@@H](C#N)C(=O)Nc2ccc(C)cc2)cc(Cl)c1OC ZINC000103503789 522171004 /nfs/dbraw/zinc/17/10/04/522171004.db2.gz SGWYWFBEYGWOLW-CQSZACIVSA-N 0 0 372.808 3.627 50 30 FHEARN COC(=O)c1sccc1-c1ccc(/C=N/OC(=O)c2ccccc2)o1 ZINC000004001883 522437627 /nfs/dbraw/zinc/43/76/27/522437627.db2.gz IPXWQOWACMOFLH-YBFXNURJSA-N 0 0 355.371 3.986 50 30 FHEARN COc1ccc(C=NNc2ccccc2C)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000004785955 523445816 /nfs/dbraw/zinc/44/58/16/523445816.db2.gz WQMVVNRWKMPWSC-KEBDBYFISA-N 0 0 365.393 3.603 50 30 FHEARN COc1ccc(C(=O)/C=C\c2ccc(OCC#N)c(OC)c2)cc1OC ZINC000096766933 523543911 /nfs/dbraw/zinc/54/39/11/523543911.db2.gz SNEVYDPYNOAEOD-DAXSKMNVSA-N 0 0 353.374 3.511 50 30 FHEARN CNC(=S)N=NCc1ccccc1OCc1c(F)cccc1Cl ZINC000001968725 523671882 /nfs/dbraw/zinc/67/18/82/523671882.db2.gz HLGBQMXFOGHQLQ-AWQFTUOYSA-N 0 0 351.834 3.897 50 30 FHEARN COC(=O)[C@H](Cc1c[nH]c2ccccc12)/N=C\c1cc(Cl)ccc1O ZINC000108478674 523908492 /nfs/dbraw/zinc/90/84/92/523908492.db2.gz INYIFQCNDLVPRJ-SXOHWRJOSA-N 0 0 356.809 3.730 50 30 FHEARN Cc1cc(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cccnc1 ZINC000059337610 524198398 /nfs/dbraw/zinc/19/83/98/524198398.db2.gz IWBHAEVKOMRTRB-KRWDZBQOSA-N 0 0 355.401 3.856 50 30 FHEARN Cc1cccc(N2CCN(C(=S)NCCc3ccccc3)CC2)c1C ZINC000008686564 524543956 /nfs/dbraw/zinc/54/39/56/524543956.db2.gz VNRABSXVHSGEEJ-UHFFFAOYSA-N 0 0 353.535 3.954 50 30 FHEARN COc1ccccc1OCC#CCNC(=O)c1cccc(C(F)(F)F)c1 ZINC000090610366 524655175 /nfs/dbraw/zinc/65/51/75/524655175.db2.gz AEUQYSKXSLVIQR-UHFFFAOYSA-N 0 0 363.335 3.526 50 30 FHEARN COc1ccc(OCCN(C)C(=O)Nc2cc(C#N)ccc2Cl)cc1 ZINC000088409291 524952234 /nfs/dbraw/zinc/95/22/34/524952234.db2.gz FWGMWFHTQYZHBX-UHFFFAOYSA-N 0 0 359.813 3.763 50 30 FHEARN Cc1cc(NC(=O)C(=O)Nc2cc(F)cc(F)c2)n(Cc2ccccc2)n1 ZINC000328596656 525099035 /nfs/dbraw/zinc/09/90/35/525099035.db2.gz MUVKBIZQODUAGK-UHFFFAOYSA-N 0 0 370.359 3.745 50 30 FHEARN C[C@@H](NC(=O)CSCC#N)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000058227431 525122213 /nfs/dbraw/zinc/12/22/13/525122213.db2.gz IGFVKKFHDVCRIC-CQSZACIVSA-N 0 0 368.462 3.765 50 30 FHEARN C[C@](C#N)(NC(=O)CCc1nnc(-c2ccsc2)o1)C1CCCCC1 ZINC000083862117 525136024 /nfs/dbraw/zinc/13/60/24/525136024.db2.gz RGYOVCWGKROJLT-GOSISDBHSA-N 0 0 358.467 3.709 50 30 FHEARN CSC(=NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 ZINC000018024190 525285490 /nfs/dbraw/zinc/28/54/90/525285490.db2.gz CGAMNSKIHXUDMK-UHFFFAOYSA-N 0 0 358.419 3.969 50 30 FHEARN C[C@@H](OCc1ccccc1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000032942811 525913844 /nfs/dbraw/zinc/91/38/44/525913844.db2.gz QBYUYUHPCLBCNX-OAHLLOKOSA-N 0 0 361.363 3.778 50 30 FHEARN Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102804311 525982376 /nfs/dbraw/zinc/98/23/76/525982376.db2.gz KZONDYXRXUUHBK-WOOAAIBNSA-N 0 0 374.396 3.605 50 30 FHEARN CSc1nncn1/N=C/c1ccc(COc2ccc(F)cc2Cl)o1 ZINC000036611336 526229111 /nfs/dbraw/zinc/22/91/11/526229111.db2.gz UGOYOKJORMNBHS-FBCYGCLPSA-N 0 0 366.805 3.847 50 30 FHEARN N#CCCN(C(=O)COC(=O)c1cc2ccccc2cc1O)c1ccccc1 ZINC000003253919 526450546 /nfs/dbraw/zinc/45/05/46/526450546.db2.gz NENYGWBKOTUMDR-UHFFFAOYSA-N 0 0 374.396 3.649 50 30 FHEARN N#CCCn1cc(-c2csc(CN3CCOCC3)n2)c2ccccc21 ZINC000078594752 526466124 /nfs/dbraw/zinc/46/61/24/526466124.db2.gz SVMLKKNBULYKGU-UHFFFAOYSA-N 0 0 352.463 3.511 50 30 FHEARN Cc1nc(-c2cccc(N[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c2)cs1 ZINC000008429244 526593770 /nfs/dbraw/zinc/59/37/70/526593770.db2.gz LEVRPDWMNOFUTJ-BFUOFWGJSA-N 0 0 356.495 3.973 50 30 FHEARN Cc1nc(-c2cccc(N[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c2)cs1 ZINC000008429242 526594271 /nfs/dbraw/zinc/59/42/71/526594271.db2.gz LEVRPDWMNOFUTJ-YJYMSZOUSA-N 0 0 356.495 3.973 50 30 FHEARN N#Cc1cccc(C(=O)N2CCC[C@H](c3nccn3Cc3ccccc3)C2)c1 ZINC000082087238 526697809 /nfs/dbraw/zinc/69/78/09/526697809.db2.gz WSRFLMRIQIOYEX-NRFANRHFSA-N 0 0 370.456 3.823 50 30 FHEARN N#Cc1cccc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000079051076 526732287 /nfs/dbraw/zinc/73/22/87/526732287.db2.gz ZFESXXSRCPXONM-UHFFFAOYSA-N 0 0 371.893 3.653 50 30 FHEARN O=C1N/C(=N/C2CCCC2)S/C1=C/c1ccc(O)c(Br)c1 ZINC000096121209 527040393 /nfs/dbraw/zinc/04/03/93/527040393.db2.gz MDMBHRSXXGPXID-MDWZMJQESA-N 0 0 367.268 3.657 50 30 FHEARN O=C1c2ccc3c(c2O/C1=C\c1ccco1)[C@@H](c1ccncc1)CC(=O)O3 ZINC000253410536 527125572 /nfs/dbraw/zinc/12/55/72/527125572.db2.gz NLSDZVIVUHZDLF-DISPHTKASA-N 0 0 359.337 3.732 50 30 FHEARN O=C1c2ccc3c(c2O/C1=C\c1ccco1)[C@@H](c1cccnc1)CC(=O)O3 ZINC000253409220 527125882 /nfs/dbraw/zinc/12/58/82/527125882.db2.gz LNYMNCSNEKIYJD-GESOSKEOSA-N 0 0 359.337 3.732 50 30 FHEARN Cn1cccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000239030892 527392833 /nfs/dbraw/zinc/39/28/33/527392833.db2.gz CNLDMALHCJNTIR-UHFFFAOYSA-N 0 0 352.250 3.761 50 30 FHEARN O[C@@H](CON=C1c2ccccc2-c2ccccc21)Cn1cnc2ccccc21 ZINC000005521228 527659354 /nfs/dbraw/zinc/65/93/54/527659354.db2.gz FJPUEQGQZXHDQA-MRXNPFEDSA-N 0 0 369.424 3.847 50 30 FHEARN CCC(=O)c1ccc(Oc2cc(C#N)c(C#N)cc2N2CCOCC2)cc1 ZINC000001422179 535343272 /nfs/dbraw/zinc/34/32/72/535343272.db2.gz BZRIRAPFINYWKW-UHFFFAOYSA-N 0 0 361.401 3.652 50 30 FHEARN C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)C(C(=O)OC)=C1C ZINC000000758795 568190571 /nfs/dbraw/zinc/19/05/71/568190571.db2.gz DGLRODIYJFCRGX-JYRVWZFOSA-N 0 0 352.217 3.852 50 30 FHEARN COc1ccccc1OCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000000808300 568252329 /nfs/dbraw/zinc/25/23/29/568252329.db2.gz GMESBJZQCFECQO-UHFFFAOYSA-N 0 0 356.447 3.915 50 30 FHEARN O=c1[nH][nH]c2c1[C@H](c1ccc(Br)s1)C1=C(CCCC1=O)N2 ZINC000012348100 568292719 /nfs/dbraw/zinc/29/27/19/568292719.db2.gz VOOMCYSLRQQDDE-LLVKDONJSA-N 0 0 366.240 3.504 50 30 FHEARN C#CCOc1cc(Br)c(C[NH2+]C2CCCC2)cc1OCC ZINC000002861553 568439907 /nfs/dbraw/zinc/43/99/07/568439907.db2.gz DYFGUXVFLVRCIL-UHFFFAOYSA-N 0 0 352.272 3.892 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1COCc1ccccc1 ZINC000000628798 570440366 /nfs/dbraw/zinc/44/03/66/570440366.db2.gz KUTCMKRTWOJQHK-INIZCTEOSA-N 0 0 369.461 3.513 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC(C)C ZINC000000677273 570447865 /nfs/dbraw/zinc/44/78/65/570447865.db2.gz PEIBLUCOYUCRAB-LJQANCHMSA-N 0 0 355.434 3.615 50 30 FHEARN COc1cccc(/C=N/c2ccc(Cl)c(Cl)c2)c1OCC(N)=O ZINC000000681012 570448942 /nfs/dbraw/zinc/44/89/42/570448942.db2.gz OMAIBPLPWDAUKW-DNTJNYDQSA-N 0 0 353.205 3.617 50 30 FHEARN COc1ccc([C@@H]2C[C@H]([C@H]3C(=O)CCC[C@@H]3O)C3=C(CCCC3=O)O2)cc1 ZINC000000704347 570451255 /nfs/dbraw/zinc/45/12/55/570451255.db2.gz QRSLYQPONMQITO-QMKUDKLTSA-N 0 0 370.445 3.510 50 30 FHEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)s1 ZINC000000728506 570454114 /nfs/dbraw/zinc/45/41/14/570454114.db2.gz VBEXFWRLGWGEFT-OAHLLOKOSA-N 0 0 361.463 3.547 50 30 FHEARN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1ccccc1Br ZINC000001041949 570475417 /nfs/dbraw/zinc/47/54/17/570475417.db2.gz GDBJHOUZVNOFOS-GFCCVEGCSA-N 0 0 354.207 3.826 50 30 FHEARN O=C1C=C(c2cccs2)C[C@H](c2ccccc2)[C@H]1n1cnc([N+](=O)[O-])n1 ZINC000001056204 570477781 /nfs/dbraw/zinc/47/77/81/570477781.db2.gz WQFXMBBDKDFVAK-RHSMWYFYSA-N 0 0 366.402 3.629 50 30 FHEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OC)cc2)C1=O ZINC000001144809 570484085 /nfs/dbraw/zinc/48/40/85/570484085.db2.gz MYBKQNHTTQKGFL-VBKFSLOCSA-N 0 0 367.426 3.849 50 30 FHEARN COc1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3ccc(Cl)cc3)S2)cc1 ZINC000001221205 570495333 /nfs/dbraw/zinc/49/53/33/570495333.db2.gz CCZIGSNPLKKLMR-MBTVCVBTSA-N 0 0 373.865 3.513 50 30 FHEARN Cc1ccc(N=C2NC(=O)C[C@@H](C(=O)Nc3ccc(F)c(Cl)c3)N2)cc1 ZINC000001287956 570497040 /nfs/dbraw/zinc/49/70/40/570497040.db2.gz LUYKLQWCOUEJHG-HNNXBMFYSA-N 0 0 374.803 3.732 50 30 FHEARN COc1ccc(/C=N/c2ccc(I)cc2)cc1O ZINC000100003550 570498127 /nfs/dbraw/zinc/49/81/27/570498127.db2.gz BKMALZGAAYBEKI-CXUHLZMHSA-N 0 0 353.159 3.756 50 30 FHEARN Cc1cc(NC[C@H](O)c2ccccc2F)n2c3ccccc3nc2c1C#N ZINC000071887021 570498798 /nfs/dbraw/zinc/49/87/98/570498798.db2.gz NAMZNXDMHHNOQU-IBGZPJMESA-N 0 0 360.392 3.952 50 30 FHEARN COc1ccc(F)cc1C(=O)[C@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000071747462 570511673 /nfs/dbraw/zinc/51/16/73/570511673.db2.gz QQEWSONKYYCMSM-KRWDZBQOSA-N 0 0 352.409 3.801 50 30 FHEARN C[C@@H](C(=O)Nc1sccc1C#N)N(C)Cc1c(F)cccc1Cl ZINC000014185363 570518322 /nfs/dbraw/zinc/51/83/22/570518322.db2.gz JBQFBMDDBZMHAH-JTQLQIEISA-N 0 0 351.834 3.871 50 30 FHEARN CC(=O)C1=C(NCCc2nc3ccccc3[nH]2)C[C@H](c2ccccc2)CC1=O ZINC000100168925 570527192 /nfs/dbraw/zinc/52/71/92/570527192.db2.gz XVMZPMXVDFFJTJ-KRWDZBQOSA-N 0 0 373.456 3.685 50 30 FHEARN N#Cc1c2c(sc1NC(=O)CCSc1nncs1)CCCCC2 ZINC000011676332 570538651 /nfs/dbraw/zinc/53/86/51/570538651.db2.gz LTOAIXZMHDIDQS-UHFFFAOYSA-N 0 0 364.521 3.861 50 30 FHEARN Cc1ccc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)c(Cl)c1 ZINC000023990257 570547686 /nfs/dbraw/zinc/54/76/86/570547686.db2.gz VBOZCTLMCXAVGZ-UHFFFAOYSA-N 0 0 354.841 3.770 50 30 FHEARN COc1ccc([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2C#N)c(OC)c1 ZINC000024134259 570593384 /nfs/dbraw/zinc/59/33/84/570593384.db2.gz ZQOXBCGODJLSDG-GOSISDBHSA-N 0 0 353.378 3.825 50 30 FHEARN Cc1ccccc1N1C(=O)C(=CC(=O)c2ccc(Cl)cc2)NC1=S ZINC000100745160 570596401 /nfs/dbraw/zinc/59/64/01/570596401.db2.gz YZABYKTUIKZHIO-UVTDQMKNSA-N 0 0 356.834 3.636 50 30 FHEARN CCOc1ccc(NC=CC(=O)c2ccc(OC)c(OC)c2)c([N+](=O)[O-])c1 ZINC000005046907 570619229 /nfs/dbraw/zinc/61/92/29/570619229.db2.gz UKAVBGKRXWCUDY-MDZDMXLPSA-N 0 0 372.377 3.819 50 30 FHEARN C=CCn1c(N)c(C(=O)NCc2ccc(C)cc2)c2nc3ccccc3nc21 ZINC000002245858 570636483 /nfs/dbraw/zinc/63/64/83/570636483.db2.gz VOPGNDRGJXHWEN-UHFFFAOYSA-N 0 0 371.444 3.591 50 30 FHEARN C[C@@H]1/C(=N/O)C[C@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000013465898 570704067 /nfs/dbraw/zinc/70/40/67/570704067.db2.gz LFGUOKSONBHVJF-PQFGKWTMSA-N 0 0 370.365 3.745 50 30 FHEARN CCCNC(=NS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1 ZINC000012378295 570740493 /nfs/dbraw/zinc/74/04/93/570740493.db2.gz ILFCSJPAMDOUKH-UHFFFAOYSA-N 0 0 350.871 3.784 50 30 FHEARN CCCC(=O)NC(NCc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F ZINC000012419219 570743777 /nfs/dbraw/zinc/74/37/77/570743777.db2.gz CZWICIGSXZOCNW-UHFFFAOYSA-N 0 0 360.273 3.653 50 30 FHEARN Cc1[nH]nc2c1[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000017945183 570767889 /nfs/dbraw/zinc/76/78/89/570767889.db2.gz QDFUONQEBFMDOP-SFHVURJKSA-N 0 0 350.466 3.985 50 30 FHEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)C2CC2)[C@H]1c1ccco1 ZINC000013510284 570778188 /nfs/dbraw/zinc/77/81/88/570778188.db2.gz IBMRZRRRACSWAL-ZCNNSNEGSA-N 0 0 355.397 3.660 50 30 FHEARN COC(=O)c1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000013733820 570788515 /nfs/dbraw/zinc/78/85/15/570788515.db2.gz UNLRULODCKFAFV-KRWDZBQOSA-N 0 0 366.417 3.970 50 30 FHEARN N#Cc1ccc(NC(=O)CNc2ccc3c(c2)OC(F)(F)O3)cc1Cl ZINC000032759959 570793288 /nfs/dbraw/zinc/79/32/88/570793288.db2.gz PNCYRGAICLISAD-UHFFFAOYSA-N 0 0 365.723 3.584 50 30 FHEARN Cn1c2ccccc2s/c1=N\N=C\c1cc(Br)ccc1O ZINC000013898539 570795882 /nfs/dbraw/zinc/79/58/82/570795882.db2.gz OMKHBFPPMYCSQH-JTWUEKBUSA-N 0 0 362.252 3.643 50 30 FHEARN N#Cc1c2c(sc1NC(=O)[C@@H]1CC(c3ccccc3Cl)=NO1)CCC2 ZINC000004504964 570803591 /nfs/dbraw/zinc/80/35/91/570803591.db2.gz ZZMPXIQXIMGMMD-HNNXBMFYSA-N 0 0 371.849 3.894 50 30 FHEARN CC(O)=C1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000101070004 570804397 /nfs/dbraw/zinc/80/43/97/570804397.db2.gz IXZYQPDDSDFGRS-RBFDBLARSA-N 0 0 372.218 3.938 50 30 FHEARN C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc2c(cc1OC)C[C@@H](C)O2 ZINC000018054446 570806916 /nfs/dbraw/zinc/80/69/16/570806916.db2.gz LRYIVOPPHVXKTP-XCLFUZPHSA-N 0 0 350.418 3.771 50 30 FHEARN Cc1cccc(C)c1-n1nnnc1SCc1cn2ccccc2c1C#N ZINC000014182435 570810483 /nfs/dbraw/zinc/81/04/83/570810483.db2.gz KPCJOHPGIJRPEP-UHFFFAOYSA-N 0 0 360.446 3.696 50 30 FHEARN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000014198319 570812333 /nfs/dbraw/zinc/81/23/33/570812333.db2.gz VNXBTAKYDRCOQX-GOSISDBHSA-N 0 0 357.816 3.502 50 30 FHEARN CCCCCCCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccccc1F ZINC000101285078 570818293 /nfs/dbraw/zinc/81/82/93/570818293.db2.gz SUQVJXTXKBMANL-QGZVFWFLSA-N 0 0 373.432 3.615 50 30 FHEARN C=CCn1c(=S)[nH]nc1-c1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000005703643 570823692 /nfs/dbraw/zinc/82/36/92/570823692.db2.gz IUEULVSCJUDJBL-UHFFFAOYSA-N 0 0 360.464 3.934 50 30 FHEARN N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cc2c(s1)CCCCCC2 ZINC000102140937 570827619 /nfs/dbraw/zinc/82/76/19/570827619.db2.gz QANAUOKCWZHAPF-AWEZNQCLSA-N 0 0 353.447 3.763 50 30 FHEARN COc1cc(/C=N/O)cc(Br)c1OCc1ccccc1F ZINC000016195836 570852031 /nfs/dbraw/zinc/85/20/31/570852031.db2.gz NDIVNUFRSHECLK-QGMBQPNBSA-N 0 0 354.175 3.984 50 30 FHEARN C=CCN(CN1C(=O)NC2(CCC(C)CC2)C1=O)[C@H]1CCc2ccccc21 ZINC000032916159 570857574 /nfs/dbraw/zinc/85/75/74/570857574.db2.gz CMNKNZZWUIIBGC-UEUGHCDMSA-N 0 0 367.493 3.620 50 30 FHEARN Cc1ccc(S(=O)(=O)N2C(=O)C(C)(C)S/C2=N\c2ccccc2)cc1 ZINC000016711618 570860860 /nfs/dbraw/zinc/86/08/60/570860860.db2.gz ZDZRHGJYEKCBHL-ZPHPHTNESA-N 0 0 374.487 3.725 50 30 FHEARN CC/C(=N/NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1O ZINC000017073314 570866161 /nfs/dbraw/zinc/86/61/61/570866161.db2.gz SXIYJDHISJMRNB-ZZEZOPTASA-N 0 0 354.431 3.638 50 30 FHEARN CCN(CC)/C(=N\S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000018113761 570875291 /nfs/dbraw/zinc/87/52/91/570875291.db2.gz PZHWTJPTJXPFBN-ZPHPHTNESA-N 0 0 350.871 3.817 50 30 FHEARN COc1ccc(/C=N/N=C2\NC(=O)C(Cc3ccccc3Cl)S2)cc1 ZINC000018209229 570876660 /nfs/dbraw/zinc/87/66/60/570876660.db2.gz LPHNDZLEDLCRMT-YODDIOPGSA-N 0 0 373.865 3.513 50 30 FHEARN Cc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1[N+](=O)[O-] ZINC000018272426 570877870 /nfs/dbraw/zinc/87/78/70/570877870.db2.gz GLWJFXBBQMLMOD-OQLLNIDSSA-N 0 0 357.366 3.934 50 30 FHEARN COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CCC2 ZINC000019315074 570885726 /nfs/dbraw/zinc/88/57/26/570885726.db2.gz INJIMHDRRDUDFB-IBGZPJMESA-N 0 0 355.434 3.615 50 30 FHEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 ZINC000019536673 570892168 /nfs/dbraw/zinc/89/21/68/570892168.db2.gz ZQHIGKGGGJXYLB-HXUWFJFHSA-N 0 0 367.445 3.846 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccncc1 ZINC000019638402 570896270 /nfs/dbraw/zinc/89/62/70/570896270.db2.gz RUVKUQSYYJCJBD-UWJYYQICSA-N 0 0 374.440 3.616 50 30 FHEARN Cc1ccc(CN2CCN(/N=C\c3cccc(Br)c3)CC2)cc1 ZINC000019773049 570902874 /nfs/dbraw/zinc/90/28/74/570902874.db2.gz IIEOAQAMKHLNTE-STZFKDTASA-N 0 0 372.310 3.909 50 30 FHEARN COc1ccc(/C(C)=N\N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000019881060 570905369 /nfs/dbraw/zinc/90/53/69/570905369.db2.gz ILIKQSRJWVVDMW-JWGURIENSA-N 0 0 357.885 3.890 50 30 FHEARN Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)Cc1ccc([C@H]2C[C@@H]2C)o1 ZINC000047642555 570905566 /nfs/dbraw/zinc/90/55/66/570905566.db2.gz SDCCTDRINQFXQD-LIRRHRJNSA-N 0 0 368.481 3.721 50 30 FHEARN Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)Cc1ccc([C@@H]2C[C@H]2C)o1 ZINC000047642558 570905768 /nfs/dbraw/zinc/90/57/68/570905768.db2.gz SDCCTDRINQFXQD-AUUYWEPGSA-N 0 0 368.481 3.721 50 30 FHEARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3cccc(F)c3)C12 ZINC000020094974 570909456 /nfs/dbraw/zinc/90/94/56/570909456.db2.gz NIRRINNIYYSZPZ-KZULUSFZSA-N 0 0 366.421 3.894 50 30 FHEARN COc1ccc(C(=O)N=C(NCc2ccncc2)Nc2ccc(C)cc2)cc1 ZINC000045940249 570915212 /nfs/dbraw/zinc/91/52/12/570915212.db2.gz SSRKPSJNENNBQO-UHFFFAOYSA-N 0 0 374.444 3.797 50 30 FHEARN NC(=NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000020421163 570915497 /nfs/dbraw/zinc/91/54/97/570915497.db2.gz YACCUBUCBXFJCE-UHFFFAOYSA-N 0 0 363.653 3.741 50 30 FHEARN C=CCn1c2ccc(NC(=O)Nc3ccccc3OCC)cc2oc1=O ZINC000046010576 570918738 /nfs/dbraw/zinc/91/87/38/570918738.db2.gz XYMYGXWOVYKAMT-UHFFFAOYSA-N 0 0 353.378 3.823 50 30 FHEARN CC1CC[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccncc2)O3)CC1 ZINC000020533430 570919080 /nfs/dbraw/zinc/91/90/80/570919080.db2.gz BZBXHDVRFIBQRJ-UNOMPAQXSA-N 0 0 350.418 3.635 50 30 FHEARN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccc(CC#N)cc3)sc21 ZINC000020617063 570922040 /nfs/dbraw/zinc/92/20/40/570922040.db2.gz HARHHFAEXDBBBO-UHFFFAOYSA-N 0 0 364.352 3.972 50 30 FHEARN COc1cccc(C(=O)N=C(NCc2ccccn2)Nc2cccc(C)c2)c1 ZINC000046125847 570926611 /nfs/dbraw/zinc/92/66/11/570926611.db2.gz FMDURSFOCATJBG-UHFFFAOYSA-N 0 0 374.444 3.797 50 30 FHEARN COc1ccccc1NC(=NC(=O)c1ccc(C)cc1)NCc1ccccn1 ZINC000046126073 570926723 /nfs/dbraw/zinc/92/67/23/570926723.db2.gz PLUZNYKJKMLXRK-UHFFFAOYSA-N 0 0 374.444 3.797 50 30 FHEARN COc1ccc(C)cc1NC(=NC(=O)c1ccccc1)NCc1ccccn1 ZINC000046126541 570927103 /nfs/dbraw/zinc/92/71/03/570927103.db2.gz MKFMMGGOAIQHAN-UHFFFAOYSA-N 0 0 374.444 3.797 50 30 FHEARN Cc1ccccc1NC(=NC(=O)c1cccc(F)c1)NC[C@H]1CCCO1 ZINC000046129304 570927588 /nfs/dbraw/zinc/92/75/88/570927588.db2.gz GNKJMXXQSNNAGI-QGZVFWFLSA-N 0 0 355.413 3.511 50 30 FHEARN O=C(N=C(NCc1cccnc1)Nc1cc(F)cc(F)c1)c1ccccc1 ZINC000046128716 570927642 /nfs/dbraw/zinc/92/76/42/570927642.db2.gz HHZVYDDJZCWHIT-UHFFFAOYSA-N 0 0 366.371 3.758 50 30 FHEARN Cc1ccc(NC(=NC(=O)c2ccc(F)c(F)c2)NC[C@@H]2CCCO2)cc1 ZINC000046130327 570928021 /nfs/dbraw/zinc/92/80/21/570928021.db2.gz NQNZUTNBDVWMTP-INIZCTEOSA-N 0 0 373.403 3.650 50 30 FHEARN CCc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(C)cc2)cc1 ZINC000046130375 570928120 /nfs/dbraw/zinc/92/81/20/570928120.db2.gz MOKXRDWYEIEAOK-HXUWFJFHSA-N 0 0 365.477 3.934 50 30 FHEARN CCc1ccc(NC(=NC(=O)c2cccc(C)c2)NC[C@H]2CCCO2)cc1 ZINC000046133338 570928843 /nfs/dbraw/zinc/92/88/43/570928843.db2.gz HTVFJQUDYCDZMJ-HXUWFJFHSA-N 0 0 365.477 3.934 50 30 FHEARN Cc1nc(NC(=O)c2c(Cl)nc3ccccn32)sc1SCC#N ZINC000048310569 570943637 /nfs/dbraw/zinc/94/36/37/570943637.db2.gz XFOWKXRLSBVOSP-UHFFFAOYSA-N 0 0 363.855 3.621 50 30 FHEARN N#CCSCC(=O)N[C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000048810209 570960178 /nfs/dbraw/zinc/96/01/78/570960178.db2.gz HFJNNLUCOZKHNN-OAHLLOKOSA-N 0 0 353.285 3.663 50 30 FHEARN CC(C)(O)C#Cc1ccc(C(=O)N2CC[C@H](c3ccccc3Cl)C2)o1 ZINC000067490759 571006120 /nfs/dbraw/zinc/00/61/20/571006120.db2.gz NXMSOMZUNXCMJT-AWEZNQCLSA-N 0 0 357.837 3.685 50 30 FHEARN C=C(C)Cn1c(C)cc(C)c(S(=O)(=O)c2cccc(Cl)c2)c1=O ZINC000001397529 571060081 /nfs/dbraw/zinc/06/00/81/571060081.db2.gz JJNHQUBLLKVZIM-UHFFFAOYSA-N 0 0 351.855 3.527 50 30 FHEARN C#CCN(Cc1ccco1)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000060182965 571064235 /nfs/dbraw/zinc/06/42/35/571064235.db2.gz JYUNATVGCXNKSM-UHFFFAOYSA-N 0 0 369.808 3.578 50 30 FHEARN C=CCSc1ncc(Cl)c(C(=O)Nc2ccc(OC)cc2OC)n1 ZINC000008917609 571072850 /nfs/dbraw/zinc/07/28/50/571072850.db2.gz HHJBEILKTPMTHN-UHFFFAOYSA-N 0 0 365.842 3.678 50 30 FHEARN N#C[C@H](C(=O)[C@H]1C[C@H]1c1ccco1)c1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000084432083 571085756 /nfs/dbraw/zinc/08/57/56/571085756.db2.gz KTXAHWMHSMZXBW-FRRDWIJNSA-N 0 0 353.765 3.562 50 30 FHEARN N#CCN(Cc1ccccc1)C(=O)Cc1csc(Cc2ccccc2)n1 ZINC000040155093 571087287 /nfs/dbraw/zinc/08/72/87/571087287.db2.gz ASZUGCOTWDGTRR-UHFFFAOYSA-N 0 0 361.470 3.829 50 30 FHEARN CCCN(CC#N)C(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c21 ZINC000040157860 571088071 /nfs/dbraw/zinc/08/80/71/571088071.db2.gz GJGONKVGXGGYJA-UHFFFAOYSA-N 0 0 352.369 3.713 50 30 FHEARN O=c1c2[nH]c3ccccc3c2ncn1/N=C/c1ccc(Br)cc1 ZINC000230141537 571096043 /nfs/dbraw/zinc/09/60/43/571096043.db2.gz QJYBWBZTSHVRKV-AWQFTUOYSA-N 0 0 367.206 3.523 50 30 FHEARN CCC[C@H](NC(=O)COc1ccc(C#N)cc1OCC)c1ccccc1 ZINC000012809001 571111475 /nfs/dbraw/zinc/11/14/75/571111475.db2.gz GCFZTKDWNXYMHA-SFHVURJKSA-N 0 0 352.434 3.993 50 30 FHEARN N#Cc1c(=O)n2c(nc1-c1ccco1)SCN(c1cccc(Cl)c1)C2 ZINC000013724213 571111549 /nfs/dbraw/zinc/11/15/49/571111549.db2.gz YWLJJMXDPYJMJX-UHFFFAOYSA-N 0 0 370.821 3.556 50 30 FHEARN C=CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000009233765 571113351 /nfs/dbraw/zinc/11/33/51/571113351.db2.gz WWOOGJHGYNKGIS-MRXNPFEDSA-N 0 0 350.418 3.551 50 30 FHEARN CC(=O)Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O ZINC000009575308 571113748 /nfs/dbraw/zinc/11/37/48/571113748.db2.gz AOWILUYMMGEWDE-FMQZQXMHSA-N 0 0 372.760 3.748 50 30 FHEARN COCCOc1ccc(C(=O)/C=C\c2cnn(Cc3ccccc3)c2)cc1 ZINC000096307363 571114923 /nfs/dbraw/zinc/11/49/23/571114923.db2.gz QYJWRCNKLPIEOC-GHXNOFRVSA-N 0 0 362.429 3.853 50 30 FHEARN CC#CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 ZINC000012314523 571118025 /nfs/dbraw/zinc/11/80/25/571118025.db2.gz PBLXDEILEVXURZ-HXUWFJFHSA-N 0 0 360.457 3.862 50 30 FHEARN C=CCN1C(=O)/C(=C\c2ccc(O)c(Br)c2)SC1=S ZINC000012343670 571118031 /nfs/dbraw/zinc/11/80/31/571118031.db2.gz MKZUQXYFATULBG-YRNVUSSQSA-N 0 0 356.266 3.542 50 30 FHEARN C=CCOc1cccc(C(=O)N2CCC(CCC(=O)N3CCCC3)CC2)c1 ZINC000012713934 571118621 /nfs/dbraw/zinc/11/86/21/571118621.db2.gz ZAQWSGMDYCBIMR-UHFFFAOYSA-N 0 0 370.493 3.506 50 30 FHEARN C=CCS(=O)(=O)N1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012718514 571118651 /nfs/dbraw/zinc/11/86/51/571118651.db2.gz DGWHIPQFMSHOQB-FQEVSTJZSA-N 0 0 369.486 3.764 50 30 FHEARN C=CCN(C(=O)[C@@H]1COc2ccccc2C1)c1nc2c(s1)CCCC2 ZINC000012938275 571118983 /nfs/dbraw/zinc/11/89/83/571118983.db2.gz BZNBUEIQWOIOLR-HNNXBMFYSA-N 0 0 354.475 3.792 50 30 FHEARN C=CCn1cc([C@H]2CC(=O)N(c3ccccc3OC)C2=O)c2ccccc21 ZINC000013720818 571120438 /nfs/dbraw/zinc/12/04/38/571120438.db2.gz RFTOHLOWHUFXMP-MRXNPFEDSA-N 0 0 360.413 3.883 50 30 FHEARN C=CCn1c(=S)n(CN2CCc3sccc3C2)nc1-c1cccnc1 ZINC000014168646 571120877 /nfs/dbraw/zinc/12/08/77/571120877.db2.gz FWPFDFQESVCYKP-UHFFFAOYSA-N 0 0 369.519 3.739 50 30 FHEARN C=CCn1c(CN(C)Cc2ccccc2O)nnc1SCC(=C)Cl ZINC000014990183 571121582 /nfs/dbraw/zinc/12/15/82/571121582.db2.gz OKDJXLXUWDIQFG-UHFFFAOYSA-N 0 0 364.902 3.646 50 30 FHEARN C=CCn1nc(SC)n2c1nc1c(c2=O)[C@](C)(CC)Cc2ccccc2-1 ZINC000015839097 571122366 /nfs/dbraw/zinc/12/23/66/571122366.db2.gz KSKNRCJLLMEWGX-HXUWFJFHSA-N 0 0 366.490 3.690 50 30 FHEARN C=C(C)Cn1nc(SC)n2c1nc1c(c2=O)C(C)(C)Cc2ccccc2-1 ZINC000015839104 571122391 /nfs/dbraw/zinc/12/23/91/571122391.db2.gz ZUVRKAREWUJOLY-UHFFFAOYSA-N 0 0 366.490 3.690 50 30 FHEARN C=C(C)Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccncc1 ZINC000016807861 571122782 /nfs/dbraw/zinc/12/27/82/571122782.db2.gz ZFVBNUIHKXFVSK-UHFFFAOYSA-N 0 0 350.447 3.891 50 30 FHEARN C=CCn1c(SCC(=O)c2ccc(C)cc2)nc2ccccc2c1=O ZINC000000784847 571122938 /nfs/dbraw/zinc/12/29/38/571122938.db2.gz MHXGVAOSVWBLOY-UHFFFAOYSA-N 0 0 350.443 3.866 50 30 FHEARN Cc1cc(C)c(C#N)c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 ZINC000000888437 571123283 /nfs/dbraw/zinc/12/32/83/571123283.db2.gz JKJPWVKYTQLTAV-UHFFFAOYSA-N 0 0 367.390 3.821 50 30 FHEARN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)N[C@@H]1c1cccc(C#N)c1 ZINC000010353232 571125489 /nfs/dbraw/zinc/12/54/89/571125489.db2.gz SFSTVUJRCAHVQP-LJQANCHMSA-N 0 0 361.401 3.585 50 30 FHEARN CCN(CC)c1ccc(NC(=O)[C@H](C#N)c2nc3ccccc3s2)cn1 ZINC000058166128 571126671 /nfs/dbraw/zinc/12/66/71/571126671.db2.gz PYUPNTWIJJPTFE-AWEZNQCLSA-N 0 0 365.462 3.783 50 30 FHEARN COc1ccc(/C=N/N=C2\S[C@H](C)C(=O)N2Cc2ccccc2)cc1 ZINC000035212350 571132368 /nfs/dbraw/zinc/13/23/68/571132368.db2.gz CQRVAOVGELNQBP-WWUDWGLGSA-N 0 0 353.447 3.549 50 30 FHEARN C=CCn1c(C)c(/C=c2/sc3nc4ccccc4n3c2=O)c2ccccc21 ZINC000017145753 571140422 /nfs/dbraw/zinc/14/04/22/571140422.db2.gz XZTNMIGJPVZVPG-DEDYPNTBSA-N 0 0 371.465 3.906 50 30 FHEARN COc1ccccc1[C@H]1[C@H]2CCCC=C2c2c(N)snc2C1(C#N)C#N ZINC000001021801 571143616 /nfs/dbraw/zinc/14/36/16/571143616.db2.gz BITYIZZJQLXRGJ-SUMWQHHRSA-N 0 0 362.458 4.000 50 30 FHEARN C=CCc1cccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c1OC ZINC000001054945 571144332 /nfs/dbraw/zinc/14/43/32/571144332.db2.gz ULKAGRADDPCMMI-HZHRSRAPSA-N 0 0 361.445 3.972 50 30 FHEARN COc1cccc2cc(C(=O)Nc3sc(C)c(C)c3C#N)c(=O)oc21 ZINC000001055244 571145122 /nfs/dbraw/zinc/14/51/22/571145122.db2.gz CGNJPPXZABRBTE-UHFFFAOYSA-N 0 0 354.387 3.604 50 30 FHEARN O=c1[nH]c2ccc(/N=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)cc2[nH]1 ZINC000001060303 571145242 /nfs/dbraw/zinc/14/52/42/571145242.db2.gz MGGCCTVDBCWBRB-UBKPWBPPSA-N 0 0 351.149 3.822 50 30 FHEARN N#Cc1cccc(S(=O)(=O)Nc2cccc(C#Cc3cccs3)c2)c1 ZINC000022959499 571145967 /nfs/dbraw/zinc/14/59/67/571145967.db2.gz SOUDLKLEWXRFGH-UHFFFAOYSA-N 0 0 364.451 3.820 50 30 FHEARN N#Cc1cccc(/C=C2\N=C(c3ccccc3Br)OC2=O)c1 ZINC000012928929 571146528 /nfs/dbraw/zinc/14/65/28/571146528.db2.gz CPOUUJMKHNGWIM-DHDCSXOGSA-N 0 0 353.175 3.665 50 30 FHEARN Cc1ccc(NC[C@H](O)CSc2nc3c(cc2C#N)CCCC3)cc1 ZINC000001118425 571146820 /nfs/dbraw/zinc/14/68/20/571146820.db2.gz MZUJKSYDIHOKIL-SFHVURJKSA-N 0 0 353.491 3.706 50 30 FHEARN CN(C)c1[nH+]c(N2CCCCC2)c(C#N)c2c1CCN2Cc1ccccc1 ZINC000075260040 571158513 /nfs/dbraw/zinc/15/85/13/571158513.db2.gz FAMFIFMUWSLBCN-UHFFFAOYSA-N 0 0 361.493 3.572 50 30 FHEARN C[C@H](Cc1csc2ccccc12)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000575620003 571172663 /nfs/dbraw/zinc/17/26/63/571172663.db2.gz HJMSMXOYPUJKOO-CYBMUJFWSA-N 0 0 356.472 3.682 50 30 FHEARN O=C(CCc1ccc2c(c1)OCO2)Nc1cccc(C#Cc2ccccn2)c1 ZINC000012536813 571175994 /nfs/dbraw/zinc/17/59/94/571175994.db2.gz KRNBZKYDPWMCEA-UHFFFAOYSA-N 0 0 370.408 3.781 50 30 FHEARN CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(C#N)cc1)O[C@H](C)C2 ZINC000012563087 571183225 /nfs/dbraw/zinc/18/32/25/571183225.db2.gz IDVAYSIKTOZOQG-KGLIPLIRSA-N 0 0 365.433 3.719 50 30 FHEARN CC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2Cl)N=C(NC#N)N1 ZINC000072467761 571198356 /nfs/dbraw/zinc/19/83/56/571198356.db2.gz QYZBWXZEOFECTB-KRWDZBQOSA-N 0 0 350.809 3.568 50 30 FHEARN C=CCN(CC(=O)N(Cc1ccco1)Cc1ccc(F)cc1)C(=O)CCC ZINC000035767144 571200203 /nfs/dbraw/zinc/20/02/03/571200203.db2.gz CALLEGRTXNMAKB-UHFFFAOYSA-N 0 0 372.440 3.762 50 30 FHEARN Cc1c(-c2ccc(O)cc2)nc(N)c(C#N)c1-c1cnc(-c2ccco2)nc1 ZINC000071639257 571200347 /nfs/dbraw/zinc/20/03/47/571200347.db2.gz WXTXLUCKDIGBDE-UHFFFAOYSA-N 0 0 369.384 3.934 50 30 FHEARN C=C(C)CN(CC)C(=O)[C@@H](C)N(C)Cc1ccccc1OC(F)(F)F ZINC000075572259 571201029 /nfs/dbraw/zinc/20/10/29/571201029.db2.gz OHTGBBXPYDSWSF-CQSZACIVSA-N 0 0 358.404 3.830 50 30 FHEARN CCCCCCCNC(=O)/C(=C\c1ccc(OC)cc1)n1ccccc1=O ZINC000097960183 571203930 /nfs/dbraw/zinc/20/39/30/571203930.db2.gz PVOJBJQQKKICLI-LVZFUZTISA-N 0 0 368.477 3.942 50 30 FHEARN Cc1nc(-c2cccc(C(=O)N(C)Cc3cnn(C)c3)c2)c(C#N)c(C)c1C ZINC000584903081 571204027 /nfs/dbraw/zinc/20/40/27/571204027.db2.gz SMZZRWZOJNEHGR-UHFFFAOYSA-N 0 0 373.460 3.551 50 30 FHEARN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000097162339 571205561 /nfs/dbraw/zinc/20/55/61/571205561.db2.gz SZWLTIVDLUEAMB-NSHDSACASA-N 0 0 354.753 3.625 50 30 FHEARN CC(=O)Nc1ccc(-n2ccnc2-c2ccc(C#CC(C)(C)O)cc2)cc1 ZINC000082106095 571205914 /nfs/dbraw/zinc/20/59/14/571205914.db2.gz QAVHARKFOQYODW-UHFFFAOYSA-N 0 0 359.429 3.620 50 30 FHEARN Cc1c(C(=O)/C=C/c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)cnn1C ZINC000006527528 571207338 /nfs/dbraw/zinc/20/73/38/571207338.db2.gz ICKBIPFMZUBGDC-MDZDMXLPSA-N 0 0 367.361 3.705 50 30 FHEARN C=CCSC1=N/C(=C\c2cccnc2)C(=O)N1c1ccc(OC)cc1 ZINC000004789658 571236269 /nfs/dbraw/zinc/23/62/69/571236269.db2.gz DOWFLIQVTNMUAG-ATVHPVEESA-N 0 0 351.431 3.753 50 30 FHEARN C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)cc3Cl)cc2C1=O ZINC000006650639 571238988 /nfs/dbraw/zinc/23/89/88/571238988.db2.gz HLWWKFDHXGIDTA-UHFFFAOYSA-N 0 0 354.793 3.683 50 30 FHEARN C=CCN(Cc1nccn1Cc1c(F)cccc1Cl)C(=O)NC(C)C ZINC000006689855 571240705 /nfs/dbraw/zinc/24/07/05/571240705.db2.gz SPHLTGRBLHQXML-UHFFFAOYSA-N 0 0 364.852 3.830 50 30 FHEARN C=CCNC(=O)[C@@H](C)Sc1nc2ccccc2n1-c1ccc(OC)cc1 ZINC000007065432 571260410 /nfs/dbraw/zinc/26/04/10/571260410.db2.gz JEPJBUPXKPLGTM-CQSZACIVSA-N 0 0 367.474 3.817 50 30 FHEARN Cc1ccc(C(N)=NOCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 ZINC000065522659 571264393 /nfs/dbraw/zinc/26/43/93/571264393.db2.gz PGZIDXFMURVMKW-INIZCTEOSA-N 0 0 361.445 3.663 50 30 FHEARN Cc1nc(C2CC2)nc(S[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)c1C#N ZINC000037170582 571265793 /nfs/dbraw/zinc/26/57/93/571265793.db2.gz LHYHHWZUYMUFST-NORZTCDRSA-N 0 0 358.511 3.710 50 30 FHEARN CC(=O)O[C@H]1CC[C@@]2(C=NO)C(=CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000252614283 571285994 /nfs/dbraw/zinc/28/59/94/571285994.db2.gz JIIVOVFNPCJNDJ-JNCUIMROSA-N 0 0 359.466 3.890 50 30 FHEARN COc1ccc(NC(C)=O)c(N=Cc2cc(Br)ccc2O)c1 ZINC000252621123 571288236 /nfs/dbraw/zinc/28/82/36/571288236.db2.gz MTJZPTXRXMGQHW-UHFFFAOYSA-N 0 0 363.211 3.872 50 30 FHEARN COc1ccc(N=C2S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2C)cc1 ZINC000252625595 571288905 /nfs/dbraw/zinc/28/89/05/571288905.db2.gz QNJQOFPPLZJXQL-OVZIBMEBSA-N 0 0 368.414 3.658 50 30 FHEARN N#CC(=NNc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Br)cc1 ZINC000252640584 571291714 /nfs/dbraw/zinc/29/17/14/571291714.db2.gz YUZBUEYGRDAFSB-UHFFFAOYSA-N 0 0 373.166 3.532 50 30 FHEARN Fc1ccc(Br)cc1C=NN1C(=S)N=NC1c1ccco1 ZINC000252677866 571292570 /nfs/dbraw/zinc/29/25/70/571292570.db2.gz AHLGJVTZKGSQHC-UHFFFAOYSA-N 0 0 367.203 3.611 50 30 FHEARN N#C[C@H](C(=O)Nc1ccccn1)C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000252679788 571292580 /nfs/dbraw/zinc/29/25/80/571292580.db2.gz RFSCISGKYQADMJ-MJBXVCDLSA-N 0 0 373.334 3.551 50 30 FHEARN C=CCn1c(N)c(C(=O)N[C@@H](C)c2ccccc2)c2nc3ccccc3nc21 ZINC000002290365 571314645 /nfs/dbraw/zinc/31/46/45/571314645.db2.gz VOZDADSJZDHJFL-AWEZNQCLSA-N 0 0 371.444 3.844 50 30 FHEARN CC(=O)O[C@H]1CC[C@@]2(C=NO)C(=CC[C@@H]3[C@H]4CCC(=O)[C@]4(C)CC[C@H]32)C1 ZINC000253531394 571318785 /nfs/dbraw/zinc/31/87/85/571318785.db2.gz JIIVOVFNPCJNDJ-KGENDAAVSA-N 0 0 359.466 3.890 50 30 FHEARN CC(=O)O[C@@H]1CC[C@@]2(C=NO)C(=CC[C@@H]3[C@H]4CCC(=O)[C@]4(C)CC[C@H]32)C1 ZINC000253531396 571318790 /nfs/dbraw/zinc/31/87/90/571318790.db2.gz JIIVOVFNPCJNDJ-XGFOFXRLSA-N 0 0 359.466 3.890 50 30 FHEARN N#Cc1c(SCc2ccccc2)nc(N2CCOCC2)c2c1CCCC2 ZINC000018115524 571318998 /nfs/dbraw/zinc/31/89/98/571318998.db2.gz RWYJNOYEDNHQKP-UHFFFAOYSA-N 0 0 365.502 3.961 50 30 aggregator FHEARN COc1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1[N+](=O)[O-] ZINC000000695855 571319164 /nfs/dbraw/zinc/31/91/64/571319164.db2.gz GRQLKQSEFIRRQT-UHFFFAOYSA-N 0 0 357.391 3.668 50 30 FHEARN N#Cc1cccnc1N1CCC(c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)CC1 ZINC000018165354 571319275 /nfs/dbraw/zinc/31/92/75/571319275.db2.gz GZMMAIVFULTZHA-UHFFFAOYSA-N 0 0 374.404 3.636 50 30 FHEARN CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N2CCOCC2)n1 ZINC000007995310 571320071 /nfs/dbraw/zinc/32/00/71/571320071.db2.gz USBRWKLAVHOQEH-UHFFFAOYSA-N 0 0 368.506 3.871 50 30 FHEARN N#Cc1nc(-c2ccccc2)oc1NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000027745083 571321145 /nfs/dbraw/zinc/32/11/45/571321145.db2.gz KESDTTSPTFILSB-FQEVSTJZSA-N 0 0 374.444 3.699 50 30 FHEARN CC(C)c1nc(C#N)c(NC[C@H](c2ccccc2Cl)N2CCOCC2)o1 ZINC000027794170 571321399 /nfs/dbraw/zinc/32/13/99/571321399.db2.gz GJVGSUPDVHTYJU-QGZVFWFLSA-N 0 0 374.872 3.808 50 30 FHEARN CCN(Cc1noc(C2CC2)n1)C(=O)c1cccc(-c2cccc(C#N)n2)c1 ZINC000426422073 571322022 /nfs/dbraw/zinc/32/20/22/571322022.db2.gz YVOHFSOYYPCGOT-UHFFFAOYSA-N 0 0 373.416 3.543 50 30 FHEARN N#Cc1ccnc(N2CC[C@@]3(C2)CCCN(Cc2cccc(F)c2F)C3)c1 ZINC000426700085 571322268 /nfs/dbraw/zinc/32/22/68/571322268.db2.gz RUXGCLYMOWVKHR-NRFANRHFSA-N 0 0 368.431 3.724 50 30 FHEARN CC1(C)Cc2c(C#N)c(NC[C@H]3CCCO3)nc(-c3ccco3)c2CO1 ZINC000012437240 571322413 /nfs/dbraw/zinc/32/24/13/571322413.db2.gz PKIMSFACWMKGFN-CYBMUJFWSA-N 0 0 353.422 3.655 50 30 FHEARN CCCn1ccnc1C(F)(F)C(=O)NC[C@@H](C)Oc1ccccc1F ZINC000328594473 571323716 /nfs/dbraw/zinc/32/37/16/571323716.db2.gz MOALPRMHLMAYTO-GFCCVEGCSA-N 0 0 355.360 3.948 50 30 FHEARN N#Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)c(F)c1 ZINC000078758210 571325921 /nfs/dbraw/zinc/32/59/21/571325921.db2.gz WYVIJGMIBKKDGL-HZPDHXFCSA-N 0 0 373.225 3.880 50 30 FHEARN N#Cc1nccnc1-c1cccc(-c2ccn(C[C@H](O)c3ccccc3)n2)c1 ZINC000020149388 571328112 /nfs/dbraw/zinc/32/81/12/571328112.db2.gz ZHBVHDRUWGDPNR-NRFANRHFSA-N 0 0 367.412 3.612 50 30 FHEARN CCc1cc(C#N)c(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1 ZINC000095364932 571329006 /nfs/dbraw/zinc/32/90/06/571329006.db2.gz DBQLKUJDEYTCRW-LBPRGKRZSA-N 0 0 373.865 3.827 50 30 FHEARN COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)nc(N)c2C#N)cc1 ZINC000020389439 571329145 /nfs/dbraw/zinc/32/91/45/571329145.db2.gz FCCXLQKVPZZXNH-UHFFFAOYSA-N 0 0 361.401 3.895 50 30 FHEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1cccs1 ZINC000095483065 571331061 /nfs/dbraw/zinc/33/10/61/571331061.db2.gz VZZAQIQKMSQOAV-KRWDZBQOSA-N 0 0 363.442 3.792 50 30 FHEARN C=CCc1cc(C(=O)N(C)Cc2nc(-c3cccs3)no2)ccc1OC ZINC000095482247 571331086 /nfs/dbraw/zinc/33/10/86/571331086.db2.gz XAQKKTZYBIECRE-UHFFFAOYSA-N 0 0 369.446 3.807 50 30 FHEARN Cc1nnc(SCC(=O)Nc2ccccc2S[C@@H](C)CC#N)s1 ZINC000095953366 571332777 /nfs/dbraw/zinc/33/27/77/571332777.db2.gz BESUEBYJAKQTNB-JTQLQIEISA-N 0 0 364.521 3.972 50 30 FHEARN CCOC1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 ZINC000095953655 571332783 /nfs/dbraw/zinc/33/27/83/571332783.db2.gz CADRJRSYPBXBGQ-HNNXBMFYSA-N 0 0 361.511 3.520 50 30 FHEARN CC#CCSc1nnc(-c2cccnc2)n1-c1ccc(OCC)cc1 ZINC000095962041 571333043 /nfs/dbraw/zinc/33/30/43/571333043.db2.gz YJGNRUOMURSKMB-UHFFFAOYSA-N 0 0 350.447 3.843 50 30 FHEARN N#Cc1cccc(NC(=O)N[C@@H]2CCCc3cn(CC(F)(F)F)nc32)c1 ZINC000096002748 571333769 /nfs/dbraw/zinc/33/37/69/571333769.db2.gz QFMFIRVRFDOERF-CQSZACIVSA-N 0 0 363.343 3.516 50 30 FHEARN CCN(C(C)=O)c1nc(/C=C\C(=O)c2ccccc2-n2cccn2)cs1 ZINC000096310936 571335223 /nfs/dbraw/zinc/33/52/23/571335223.db2.gz RAEFVYAEFBGASF-KTKRTIGZSA-N 0 0 366.446 3.598 50 30 FHEARN C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1F)CC(=O)N2 ZINC000670416135 571336797 /nfs/dbraw/zinc/33/67/97/571336797.db2.gz OVTAXZYUOCKKKY-SNVBAGLBSA-N 0 0 365.817 3.727 50 30 FHEARN C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000029756873 571342876 /nfs/dbraw/zinc/34/28/76/571342876.db2.gz AGJABFTWBOEBME-SECBINFHSA-N 0 0 350.205 3.853 50 30 FHEARN C=C(C)COc1ccc([C@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc1OC ZINC000217671590 571349793 /nfs/dbraw/zinc/34/97/93/571349793.db2.gz GDKLOAODGZFEAV-CQSZACIVSA-N 0 0 368.385 3.820 50 30 FHEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCSC)c2)c1 ZINC000031083139 571350724 /nfs/dbraw/zinc/35/07/24/571350724.db2.gz BQDQYHZEAFKLGS-UHFFFAOYSA-N 0 0 353.443 3.565 50 30 FHEARN C=CCN(CC=C)C(=O)COC(=O)c1ccc(OCc2ccccc2)cc1 ZINC000007978849 571358017 /nfs/dbraw/zinc/35/80/17/571358017.db2.gz OFSBVTXWAFSSEX-UHFFFAOYSA-N 0 0 365.429 3.623 50 30 FHEARN CCc1nc(NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)sc1C ZINC000174343855 941744172 /nfs/dbraw/zinc/74/41/72/941744172.db2.gz ROEOBSWNOMKXMP-UHFFFAOYSA-N 0 0 370.478 3.961 50 30 FHEARN N#Cc1sc(NC(=O)C=Cc2ccc(C(=O)NC3CC3)cc2)nc1Cl ZINC000328595002 941800258 /nfs/dbraw/zinc/80/02/58/941800258.db2.gz IFFIPECFRMIJKU-FPYGCLRLSA-N 0 0 372.837 3.862 50 30 FHEARN Cc1cc([C@H]2CCCN(C(=O)NCCOc3cc(C)cc(C)c3)C2)[nH]n1 ZINC000328755867 942044065 /nfs/dbraw/zinc/04/40/65/942044065.db2.gz TWHOGICKXKVHKI-KRWDZBQOSA-N 0 0 356.470 3.507 50 30 FHEARN COc1ccc(/C=C/C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1OCC(C)C ZINC000014181344 942734113 /nfs/dbraw/zinc/73/41/13/942734113.db2.gz VELHOIJPTKUOTE-XBXARRHUSA-N 0 0 366.417 3.796 50 30 FHEARN CC(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC(=Cc2cccc(F)c2)CC1 ZINC000330986449 944382097 /nfs/dbraw/zinc/38/20/97/944382097.db2.gz PYVBTHASEKQDFI-IBGZPJMESA-N 0 0 373.472 3.618 50 30 FHEARN Cc1cc(C#N)ccc1C(=O)N1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000331888837 944961493 /nfs/dbraw/zinc/96/14/93/944961493.db2.gz IOMRRWSIANCFBD-SJLPKXTDSA-N 0 0 374.362 3.834 50 30 FHEARN C=C(C)C(=O)Nc1ccc(OC(F)(F)C(F)F)c(NC(=O)C(=C)C)c1 ZINC000003168052 945374456 /nfs/dbraw/zinc/37/44/56/945374456.db2.gz NTBIJIRLFRQDKI-UHFFFAOYSA-N 0 0 360.307 3.953 50 30 FHEARN Cc1cccc2c1OCC[C@H]2NC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000599037675 946766813 /nfs/dbraw/zinc/76/68/13/946766813.db2.gz KVOFZMKAUIUAPG-HXUWFJFHSA-N 0 0 361.445 3.653 50 30 FHEARN COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1[N+](=O)[O-] ZINC000001111591 219371108 /nfs/dbraw/zinc/37/11/08/219371108.db2.gz NMNDTKBWKJIPJS-JTQLQIEISA-N 0 0 371.418 3.914 50 30 FHEARN CCOc1cc(/C=N/n2cnnc2)cc(Cl)c1OCc1ccccc1 ZINC000001185670 219386249 /nfs/dbraw/zinc/38/62/49/219386249.db2.gz FNTCCJFCLGVJFD-LSHDLFTRSA-N 0 0 356.813 3.791 50 30 FHEARN C=CCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc(OC)c(OC)c1 ZINC000002721384 219459307 /nfs/dbraw/zinc/45/93/07/219459307.db2.gz YXDBITPMJHLGNN-AWEZNQCLSA-N 0 0 365.433 3.731 50 30 FHEARN C=CCOc1ccc(C(=O)N(CC=C)Cc2ccncc2)cc1OCC ZINC000055072390 203802267 /nfs/dbraw/zinc/80/22/67/203802267.db2.gz VMEDDBCXDQNFJF-UHFFFAOYSA-N 0 0 352.434 3.874 50 30 FHEARN C=CCn1cnc2c(oc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c1=O ZINC000012321076 203853819 /nfs/dbraw/zinc/85/38/19/203853819.db2.gz ASYUOBMBRVYBNW-UHFFFAOYSA-N 0 0 353.422 3.698 50 30 FHEARN C=CCOc1cccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c1 ZINC000012556422 203854762 /nfs/dbraw/zinc/85/47/62/203854762.db2.gz YCVCCDDQHITMKB-NQIIRXRSSA-N 0 0 364.445 3.997 50 30 FHEARN C=CCN(C(=O)[C@H]1COc2ccccc2C1)c1nc2c(s1)CCCC2 ZINC000012938281 203855261 /nfs/dbraw/zinc/85/52/61/203855261.db2.gz BZNBUEIQWOIOLR-OAHLLOKOSA-N 0 0 354.475 3.792 50 30 FHEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3ccc(C)nc3)c2)c1 ZINC000012987225 203855640 /nfs/dbraw/zinc/85/56/40/203855640.db2.gz IDWGFYICEVEGPJ-UHFFFAOYSA-N 0 0 370.408 3.829 50 30 FHEARN C=C(C)CNC(=S)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 ZINC000000985950 203859550 /nfs/dbraw/zinc/85/95/50/203859550.db2.gz QYCHHEOESPHTAO-LLVKDONJSA-N 0 0 352.525 3.912 50 30 FHEARN C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000001004078 203859584 /nfs/dbraw/zinc/85/95/84/203859584.db2.gz CGUOZJAPDPOBGP-UHFFFAOYSA-N 0 0 371.462 3.693 50 30 FHEARN C=CCN1C(=O)S/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O ZINC000001015268 203860029 /nfs/dbraw/zinc/86/00/29/203860029.db2.gz NJJQFALMVCLFSX-UKTHLTGXSA-N 0 0 367.268 3.737 50 30 FHEARN C=CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@H]1c1ccc(F)cc1 ZINC000002487256 203861173 /nfs/dbraw/zinc/86/11/73/203861173.db2.gz PQHGYSBJKMVMGD-ZBFHGGJFSA-N 0 0 374.437 3.594 50 30 FHEARN N#Cc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(C#N)cc3)c2)cc1 ZINC000000869725 203959225 /nfs/dbraw/zinc/95/92/25/203959225.db2.gz SBVZFHPYQWDMCZ-UHFFFAOYSA-N 0 0 366.380 3.935 50 30 FHEARN COC(=O)c1sc(NC(=O)c2cc3c(s2)CCCC3)c(C#N)c1C ZINC000001054216 203977752 /nfs/dbraw/zinc/97/77/52/203977752.db2.gz WVKDXVMDVQRHIE-UHFFFAOYSA-N 0 0 360.460 3.907 50 30 FHEARN Cc1c(C#N)c2ccccc2n1CC(=O)NCCc1c[nH]c2ccccc12 ZINC000000807905 203953493 /nfs/dbraw/zinc/95/34/93/203953493.db2.gz ZOFMPDOCLYEBKB-UHFFFAOYSA-N 0 0 356.429 3.662 50 30 FHEARN CCOc1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000823532 203954586 /nfs/dbraw/zinc/95/45/86/203954586.db2.gz YOBNLLNNINWVDH-LJQANCHMSA-N 0 0 369.461 3.862 50 30 FHEARN COc1ccc(NC(=O)CSc2nc(C)c3c(c2C#N)CCCC3)cc1 ZINC000001471610 204009244 /nfs/dbraw/zinc/00/92/44/204009244.db2.gz WEANVNPBBLEIIO-UHFFFAOYSA-N 0 0 367.474 3.880 50 30 FHEARN CC(C)N(CCC#N)S(=O)(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002024090 204023056 /nfs/dbraw/zinc/02/30/56/204023056.db2.gz MOOQZYPLLRWFKY-UHFFFAOYSA-N 0 0 373.434 3.575 50 30 FHEARN CCOc1ccc(-c2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)cc1 ZINC000002197370 204028303 /nfs/dbraw/zinc/02/83/03/204028303.db2.gz IVVAHBZJQDRUHC-UHFFFAOYSA-N 0 0 363.373 3.953 50 30 FHEARN COc1ccc2[nH]c3c(ncn(/N=C/c4ccc(C(C)C)cc4)c3=O)c2c1 ZINC000002275134 204031209 /nfs/dbraw/zinc/03/12/09/204031209.db2.gz HDAKMDNSNOWBOE-FOKLQQMPSA-N 0 0 360.417 3.892 50 30 FHEARN C=CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N(CCC)CCC ZINC000002357517 204034827 /nfs/dbraw/zinc/03/48/27/204034827.db2.gz VOELVNPPNDZIIU-HNNXBMFYSA-N 0 0 352.438 3.593 50 30 FHEARN CC1(C)CC2=C(C(=O)C1)[C@@](O)(C(F)(F)F)C(=O)N2c1ccc(Cl)cc1 ZINC000002349041 204035404 /nfs/dbraw/zinc/03/54/04/204035404.db2.gz ZHXQVNCDKHMMON-INIZCTEOSA-N 0 0 373.758 3.623 50 30 FHEARN N#Cc1ccccc1NC(=O)COC(=O)CCCc1c[nH]c2ccccc12 ZINC000003318530 204091808 /nfs/dbraw/zinc/09/18/08/204091808.db2.gz CCUNCPYPQNOTSD-UHFFFAOYSA-N 0 0 361.401 3.544 50 30 FHEARN N#CCCN(C(=O)CSc1nnc(-c2ccco2)o1)c1ccc(F)cc1 ZINC000002619437 204046327 /nfs/dbraw/zinc/04/63/27/204046327.db2.gz DVAQZDSSPVYBLS-UHFFFAOYSA-N 0 0 372.381 3.508 50 30 FHEARN N#CCCN(C(=O)CSc1nnc(-c2cccs2)o1)c1ccccc1 ZINC000002624350 204046751 /nfs/dbraw/zinc/04/67/51/204046751.db2.gz SPJOEDKJLJHSOK-UHFFFAOYSA-N 0 0 370.459 3.837 50 30 FHEARN C[C@H]1CCc2c(C(=O)OCC(=O)Nc3ccccc3C#N)csc2C1 ZINC000002636640 204048332 /nfs/dbraw/zinc/04/83/32/204048332.db2.gz UUMQKHJPKFUKLG-LBPRGKRZSA-N 0 0 354.431 3.540 50 30 FHEARN N#Cc1c2c(sc1NC(=O)CSc1ccc([N+](=O)[O-])cn1)CCCC2 ZINC000002846149 204062046 /nfs/dbraw/zinc/06/20/46/204062046.db2.gz FSNHJYAMVGMCTH-UHFFFAOYSA-N 0 0 374.447 3.533 50 30 FHEARN N#Cc1cn(CC(=O)N2CCCCCC2)c2ccc(Br)cc12 ZINC000004075044 204119746 /nfs/dbraw/zinc/11/97/46/204119746.db2.gz CGZAJOYLBMDQGV-UHFFFAOYSA-N 0 0 360.255 3.678 50 30 FHEARN CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=S)Nc1ccccc1 ZINC000004180720 204125885 /nfs/dbraw/zinc/12/58/85/204125885.db2.gz VXVTYCUJAIDDAD-CPNJWEJPSA-N 0 0 371.466 3.762 50 30 FHEARN C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000004673420 204154501 /nfs/dbraw/zinc/15/45/01/204154501.db2.gz QKPAXSGBQIRJOU-CYBMUJFWSA-N 0 0 366.808 3.803 50 30 FHEARN O=C1CCCC2=Nc3nc(C(F)(F)F)nn3[C@H](c3cc(F)cc(F)c3)C12 ZINC000004737003 204159985 /nfs/dbraw/zinc/15/99/85/204159985.db2.gz KWJRFJBYVQUZCR-CYBMUJFWSA-N 0 0 370.281 3.597 50 30 FHEARN COc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000004834253 204167698 /nfs/dbraw/zinc/16/76/98/204167698.db2.gz DHKDYUPEDDHGLG-XSFVSMFZSA-N 0 0 360.479 3.695 50 30 FHEARN CC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccccc1OC(C)C ZINC000004839822 204167718 /nfs/dbraw/zinc/16/77/18/204167718.db2.gz LQHYAZQITZXTHN-HXUWFJFHSA-N 0 0 350.418 3.828 50 30 FHEARN Oc1ccc2ccccc2c1C=NNc1nn2cnnc2c2ccccc21 ZINC000004279460 204129467 /nfs/dbraw/zinc/12/94/67/204129467.db2.gz YAJMLIKFHBOBFF-SRZZPIQSSA-N 0 0 354.373 3.582 50 30 FHEARN Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ncccn2)cc1 ZINC000004311690 204130655 /nfs/dbraw/zinc/13/06/55/204130655.db2.gz YNELJTRIIVOXHH-SFHVURJKSA-N 0 0 371.396 3.568 50 30 FHEARN CC(C)c1ccc(/N=C2/c3ccccc3N(CN3CCOCC3)C2=O)cc1 ZINC000004348798 204134535 /nfs/dbraw/zinc/13/45/35/204134535.db2.gz MHNHZPAJBGWJIN-LNVKXUELSA-N 0 0 363.461 3.567 50 30 FHEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccnc2)C1=O ZINC000004477955 204141062 /nfs/dbraw/zinc/14/10/62/204141062.db2.gz ZEWADIBQLJHVBT-PTNGSMBKSA-N 0 0 352.415 3.625 50 30 FHEARN N#CC1(NC(=O)COc2ccc(Br)cc2Cl)CCCCC1 ZINC000004846921 204169655 /nfs/dbraw/zinc/16/96/55/204169655.db2.gz NKBTUDGGUIIDAT-UHFFFAOYSA-N 0 0 371.662 3.824 50 30 FHEARN Cc1c(C(=O)Nc2sc3c(c2C#N)CCCC3)nnn1-c1ccccc1 ZINC000004511643 204143393 /nfs/dbraw/zinc/14/33/93/204143393.db2.gz UNVUBHMLMIZVBM-UHFFFAOYSA-N 0 0 363.446 3.640 50 30 FHEARN CCc1ccc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1 ZINC000004540724 204145546 /nfs/dbraw/zinc/14/55/46/204145546.db2.gz TVNZVRNXLLEPQN-IBGZPJMESA-N 0 0 359.425 3.990 50 30 FHEARN CC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4)nc3c2[C@@H]1c1ccco1 ZINC000005346746 204204288 /nfs/dbraw/zinc/20/42/88/204204288.db2.gz MNKSZZWGOWVABM-QGZVFWFLSA-N 0 0 372.384 3.772 50 30 FHEARN COc1cccc(N2C(=O)C(=O)C(=C(C)O)[C@H]2c2ccc(Cl)cc2)c1 ZINC000005669046 204219773 /nfs/dbraw/zinc/21/97/73/204219773.db2.gz WPROYJVVXSOJPW-QGZVFWFLSA-N 0 0 357.793 3.838 50 30 FHEARN COc1ccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc1OC ZINC000005376480 204205837 /nfs/dbraw/zinc/20/58/37/204205837.db2.gz XILWXLJREWGOKE-YBEGLDIGSA-N 0 0 358.394 3.735 50 30 FHEARN COc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1 ZINC000004915963 204175921 /nfs/dbraw/zinc/17/59/21/204175921.db2.gz MTQALQBWUDTCSZ-UKRRQHHQSA-N 0 0 353.443 3.761 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004919678 204177562 /nfs/dbraw/zinc/17/75/62/204177562.db2.gz XDEMEAPCAVIKCG-CRAIPNDOSA-N 0 0 355.346 3.507 50 30 FHEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(O)cc2)C1=O ZINC000005042425 204186740 /nfs/dbraw/zinc/18/67/40/204186740.db2.gz ITARRCLTLIMJBH-VBKFSLOCSA-N 0 0 367.426 3.936 50 30 FHEARN O=S(=O)(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000005044484 204187000 /nfs/dbraw/zinc/18/70/00/204187000.db2.gz UNLXUOPCVDFKRN-CAOOACKPSA-N 0 0 363.653 3.959 50 30 FHEARN COc1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3cccc(Cl)c3)S2)cc1 ZINC000005047118 204187350 /nfs/dbraw/zinc/18/73/50/204187350.db2.gz RIDVNAPBFRZMHM-YODDIOPGSA-N 0 0 373.865 3.513 50 30 FHEARN CCOc1ccc(C[C@@H]2S/C(=N/N=C(\C)c3ccccc3)NC2=O)cc1 ZINC000005124050 204192931 /nfs/dbraw/zinc/19/29/31/204192931.db2.gz BIROAIKAPQNZLA-OVBDPADQSA-N 0 0 367.474 3.640 50 30 FHEARN CCOC(=O)c1c(C)[nH]c(C2=NN/C(=N\c3ccccc3)SC2)c1C ZINC000005156922 204194346 /nfs/dbraw/zinc/19/43/46/204194346.db2.gz HKZRQNAKIFHTMK-UHFFFAOYSA-N 0 0 356.451 3.536 50 30 aggregator FHEARN CO/N=C/NC(=O)[C@@H](c1ccccc1)c1ncc(C(F)(F)F)cc1Cl ZINC000005209453 204196803 /nfs/dbraw/zinc/19/68/03/204196803.db2.gz SHSTWGYTKCDLNS-ZDUSSCGKSA-N 0 0 371.746 3.592 50 30 FHEARN CC1(C)CC(=O)C(I)=C(Nc2ccccc2O)C1 ZINC000005190328 204197491 /nfs/dbraw/zinc/19/74/91/204197491.db2.gz XYKWIYFFCDABER-UHFFFAOYSA-N 0 0 357.191 3.840 50 30 FHEARN C/C(=N\N=C1/NC(=O)[C@@H](Cc2cccc(Cl)c2)S1)c1ccccc1 ZINC000005214327 204198635 /nfs/dbraw/zinc/19/86/35/204198635.db2.gz IKPPKMQPBIEQQV-SVZNOHIVSA-N 0 0 357.866 3.894 50 30 FHEARN COc1ccc(C=NN2C(=S)N=NC2c2cccc(Cl)c2)c(OC)c1 ZINC000006005679 204233040 /nfs/dbraw/zinc/23/30/40/204233040.db2.gz ZXJWZKSNJHGRQZ-VXLYETTFSA-N 0 0 374.853 3.787 50 30 FHEARN CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000006002256 204233146 /nfs/dbraw/zinc/23/31/46/204233146.db2.gz TWPVEUOFWSDPLU-ZDUSSCGKSA-N 0 0 359.476 3.508 50 30 FHEARN CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000006001774 204233260 /nfs/dbraw/zinc/23/32/60/204233260.db2.gz TWPVEUOFWSDPLU-CYBMUJFWSA-N 0 0 359.476 3.508 50 30 FHEARN Cc1ccc(S(=O)(=O)N=C(NC2CCCC2)c2ccc(F)cc2)cc1 ZINC000005981309 204233423 /nfs/dbraw/zinc/23/34/23/204233423.db2.gz AQDQISBKORWMQU-UHFFFAOYSA-N 0 0 360.454 3.802 50 30 FHEARN S=C1N=NC(c2ccccn2)N1N=Cc1cccc(Cl)c1Cl ZINC000006062871 204236126 /nfs/dbraw/zinc/23/61/26/204236126.db2.gz QIXWTTGXULLMAQ-QGMBQPNBSA-N 0 0 350.234 3.818 50 30 FHEARN Cc1cc(C(=O)OCC(=O)Nc2ccc(C#N)cc2)c(C)n1-c1ccccc1 ZINC000006415001 204248101 /nfs/dbraw/zinc/24/81/01/204248101.db2.gz UWWIMWFQGHIPHF-UHFFFAOYSA-N 0 0 373.412 3.761 50 30 FHEARN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Oc1ccc(Br)cc1Cl ZINC000006620124 204256866 /nfs/dbraw/zinc/25/68/66/204256866.db2.gz HRTNNRCRFWPCRM-ZUZCIYMTSA-N 0 0 373.678 3.924 50 30 FHEARN COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000007017366 204287038 /nfs/dbraw/zinc/28/70/38/204287038.db2.gz DZNYSRJUJSZSSA-ZDUSSCGKSA-N 0 0 350.374 3.569 50 30 FHEARN N#Cc1ccc(S(=O)(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1 ZINC000007054622 204288504 /nfs/dbraw/zinc/28/85/04/204288504.db2.gz UXMHSUIERVPCAB-JXMROGBWSA-N 0 0 361.426 3.924 50 30 FHEARN C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NC1(C#N)CCCCC1 ZINC000007108950 204289477 /nfs/dbraw/zinc/28/94/77/204289477.db2.gz YCIBUFGIEBPWKN-NSHDSACASA-N 0 0 369.248 3.881 50 30 FHEARN Cc1ccc(NCc2nc3sc4c(c3c(=O)n2CC#N)CCCC4)cc1 ZINC000007223366 204291108 /nfs/dbraw/zinc/29/11/08/204291108.db2.gz QTEAGFRJRCWOSO-UHFFFAOYSA-N 0 0 364.474 3.781 50 30 FHEARN CCOc1cc(C#N)ccc1OCC(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000007462674 204298541 /nfs/dbraw/zinc/29/85/41/204298541.db2.gz YIYVXHAHAQMPRE-CQSZACIVSA-N 0 0 364.401 3.959 50 30 FHEARN C[C@H](OC(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000007395672 204296769 /nfs/dbraw/zinc/29/67/69/204296769.db2.gz ROBGQNXXDDSKRY-NSHDSACASA-N 0 0 362.307 3.761 50 30 FHEARN Cc1ccnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)n1 ZINC000006725949 204263500 /nfs/dbraw/zinc/26/35/00/204263500.db2.gz GQRWEEVSTZMFDM-SNVBAGLBSA-N 0 0 358.492 3.574 50 30 FHEARN C=CCN1c2ccccc2/C(=N/NC(=S)Nc2ccc(C)c(C)c2)C1=O ZINC000006755320 204267493 /nfs/dbraw/zinc/26/74/93/204267493.db2.gz RHKDQGOBXAFYME-PYCFMQQDSA-N 0 0 364.474 3.527 50 30 FHEARN CCOc1cc(C#N)ccc1OCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000007462562 204297846 /nfs/dbraw/zinc/29/78/46/204297846.db2.gz UBGAMGBOHWBKFS-UHFFFAOYSA-N 0 0 362.429 3.652 50 30 FHEARN COc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000007858450 204308510 /nfs/dbraw/zinc/30/85/10/204308510.db2.gz OZMQZCBDCQYSND-NSHDSACASA-N 0 0 362.332 3.574 50 30 FHEARN Cc1nn(-c2ccccc2)c(C)c1CN(C)c1ccc([N+](=O)[O-])cc1C#N ZINC000008204855 204321529 /nfs/dbraw/zinc/32/15/29/204321529.db2.gz QVIFTDIWFCIWIR-UHFFFAOYSA-N 0 0 361.405 3.905 50 30 FHEARN C[C@@H](OC(=O)C1(c2ccccc2)CCCC1)C(=O)Nc1cccc(C#N)c1 ZINC000008273358 204323666 /nfs/dbraw/zinc/32/36/66/204323666.db2.gz CNPYRFNQHFYNTJ-MRXNPFEDSA-N 0 0 362.429 3.940 50 30 FHEARN O=C1Nc2ccc([N+](=O)[O-])cc2C1=NNc1ncc(Cl)cc1Cl ZINC000008379821 204329982 /nfs/dbraw/zinc/32/99/82/204329982.db2.gz SLPXIKOSKXIJFW-UHFFFAOYSA-N 0 0 352.137 3.714 50 30 FHEARN CCOc1cc(C#N)cc(Cl)c1OCC(=O)N1CCc2ccccc21 ZINC000008427822 204331241 /nfs/dbraw/zinc/33/12/41/204331241.db2.gz MBXYWMBUJBWKLF-UHFFFAOYSA-N 0 0 356.809 3.578 50 30 FHEARN Cc1c(C)n(C2CCCCC2)c(NC(=O)CSc2nccn2C)c1C#N ZINC000008458726 204332235 /nfs/dbraw/zinc/33/22/35/204332235.db2.gz HMFLXJQFEXIHBA-UHFFFAOYSA-N 0 0 371.510 3.946 50 30 FHEARN CN(C)c1ccc(C=[NH+][N-]c2nc3ccccc3[nH]2)cc1Br ZINC000008813853 204346168 /nfs/dbraw/zinc/34/61/68/204346168.db2.gz PBUGWTSGEQYYOK-VCHYOVAHSA-N 0 0 358.243 3.837 50 30 FHEARN Cc1ncc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(C#N)cc3)c2)o1 ZINC000009807733 204383274 /nfs/dbraw/zinc/38/32/74/204383274.db2.gz MFFJQSFJMIPYDK-UHFFFAOYSA-N 0 0 353.403 3.631 50 30 FHEARN N#Cc1c(N)nc(-c2ccncc2)cc1-c1cc([N+](=O)[O-])ccc1Cl ZINC000013005285 204519669 /nfs/dbraw/zinc/51/96/69/204519669.db2.gz IDJXWFLQPRKMEK-UHFFFAOYSA-N 0 0 351.753 3.826 50 30 FHEARN N=C(NOC(=O)Nc1ccccc1)c1ncc(C(F)(F)F)cc1Cl ZINC000013110984 204521975 /nfs/dbraw/zinc/52/19/75/204521975.db2.gz BQTDXCPMBRQCAA-UHFFFAOYSA-N 0 0 358.707 3.623 50 30 FHEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3ccccc3)C2)cc1 ZINC000013124627 204522247 /nfs/dbraw/zinc/52/22/47/204522247.db2.gz QACQTXVGMYXTPG-HRAATJIYSA-N 0 0 372.428 3.702 50 30 FHEARN C[C@@H](NC(=S)NC1CCCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000013686088 204546211 /nfs/dbraw/zinc/54/62/11/204546211.db2.gz FAUWWTDVZLACIY-APWZRJJASA-N 0 0 361.555 3.657 50 30 FHEARN COc1cc(/C=C/C(=O)Nc2ccc(SC)cc2)ccc1OCC#N ZINC000016832837 204642899 /nfs/dbraw/zinc/64/28/99/204642899.db2.gz RUYRVDFZXBMOCD-ONNFQVAWSA-N 0 0 354.431 3.971 50 30 FHEARN Cc1n([C@@H]2c3ccccc3CC/C2=N\O)c2c([n+]1[O-])-c1ccccc1CC2 ZINC000016363236 204634585 /nfs/dbraw/zinc/63/45/85/204634585.db2.gz JVAHMFFXKIHYBZ-YVNGDZKUSA-N 0 0 359.429 3.561 50 30 FHEARN CC/N=C1\S[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)CC(=O)N1CC ZINC000018067730 204658756 /nfs/dbraw/zinc/65/87/56/204658756.db2.gz OFCBPLWNYGMSQV-LOPKLFAVSA-N 0 0 374.293 3.662 50 30 FHEARN COc1ccc(NC(=S)N/N=C2\CC(C)(C)Oc3ccc(O)cc32)cc1 ZINC000018058577 204659979 /nfs/dbraw/zinc/65/99/79/204659979.db2.gz UXGVZHVJSTYDJZ-LTGZKZEYSA-N 0 0 371.462 3.653 50 30 FHEARN Cc1sc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c(C#N)c1C ZINC000022961914 204791251 /nfs/dbraw/zinc/79/12/51/204791251.db2.gz KSFSPSKEPPYWIK-INIZCTEOSA-N 0 0 369.446 3.606 50 30 FHEARN Cc1ccc2c(C(=O)N3CCC[C@H](C#N)C3)cc(-c3cnn(C)c3)nc2c1C ZINC000023232260 204800138 /nfs/dbraw/zinc/80/01/38/204800138.db2.gz BEUZPJBKZOJTAV-MRXNPFEDSA-N 0 0 373.460 3.628 50 30 FHEARN CCN1CCN(c2oc(C(c3ccccc3)c3ccccc3)nc2C#N)CC1 ZINC000027562274 204864013 /nfs/dbraw/zinc/86/40/13/204864013.db2.gz NYGNLLKWVXHKBE-UHFFFAOYSA-N 0 0 372.472 3.868 50 30 FHEARN C=CCNC(=O)c1ccccc1NC(=O)c1cnc(-c2ccccc2)s1 ZINC000040131787 204886219 /nfs/dbraw/zinc/88/62/19/204886219.db2.gz AZMUAJXEKAKWIU-UHFFFAOYSA-N 0 0 363.442 3.978 50 30 FHEARN COc1ccc(-n2c3c(cc(C#N)c2=O)C(=O)CC(C)(C)C3)cc1Cl ZINC000032985420 204950324 /nfs/dbraw/zinc/95/03/24/204950324.db2.gz AFZKEYYOASCMIV-UHFFFAOYSA-N 0 0 356.809 3.526 50 30 FHEARN CCOc1ccc(-n2c3c(cc(C#N)c2=O)C(=O)C[C@H](c2ccco2)C3)cc1 ZINC000032985480 204951120 /nfs/dbraw/zinc/95/11/20/204951120.db2.gz PVYMSBYRCQSXTD-CQSZACIVSA-N 0 0 374.396 3.614 50 30 FHEARN COC(=O)C1=C(Nc2cccc(F)c2)SC(=Cc2cccc(O)c2)C1=O ZINC000036257410 205008664 /nfs/dbraw/zinc/00/86/64/205008664.db2.gz DNEOVCQFNBNCKL-OQLLNIDSSA-N 0 0 371.389 3.685 50 30 FHEARN Cc1cc(OCc2ccc(C=NN3CN=NC3=S)o2)cc(C)c1Cl ZINC000036611472 205017484 /nfs/dbraw/zinc/01/74/84/205017484.db2.gz UYGJBCSMMIQOOO-FBCYGCLPSA-N 0 0 362.842 3.891 50 30 FHEARN N#C[C@@H](C(=O)c1cc2c(c(Cl)c1)OCO2)c1ccc(C(F)(F)F)cn1 ZINC000041554734 205091039 /nfs/dbraw/zinc/09/10/39/205091039.db2.gz BHTBQOWANOPDMM-SNVBAGLBSA-N 0 0 368.698 3.973 50 30 FHEARN CC(=O)c1c[nH]c(C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)c1 ZINC000042969328 205099233 /nfs/dbraw/zinc/09/92/33/205099233.db2.gz LJBVNPRCCZAUBD-UHFFFAOYSA-N 0 0 359.385 3.920 50 30 FHEARN CCOC(=O)CC(=O)CSc1nc(-c2ccc(C)cc2)ccc1C#N ZINC000040486458 205071913 /nfs/dbraw/zinc/07/19/13/205071913.db2.gz PHSGHTYSMNGDJG-UHFFFAOYSA-N 0 0 354.431 3.543 50 30 FHEARN C[C@H](Oc1ccccc1C#N)C(=O)OCc1csc(Br)c1 ZINC000046254744 205134376 /nfs/dbraw/zinc/13/43/76/205134376.db2.gz LDHXAXVQXPIRGM-JTQLQIEISA-N 0 0 366.236 3.893 50 30 FHEARN Cc1c(N[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc(C#N)cc1[N+](=O)[O-] ZINC000048275916 205155083 /nfs/dbraw/zinc/15/50/83/205155083.db2.gz JKAJRLLSJMABSK-GFCCVEGCSA-N 0 0 350.378 3.833 50 30 FHEARN N#Cc1cn(CC(=O)N2CCC(Cc3ccccc3)CC2)c2ccccc12 ZINC000051319117 205182404 /nfs/dbraw/zinc/18/24/04/205182404.db2.gz NVZRWBBSURVGMS-UHFFFAOYSA-N 0 0 357.457 3.994 50 30 FHEARN N#Cc1cn(CC(=O)Nc2cccc(Br)c2)c2ccccc12 ZINC000051319093 205182442 /nfs/dbraw/zinc/18/24/42/205182442.db2.gz VNBWAORAJFWTAX-UHFFFAOYSA-N 0 0 354.207 3.914 50 30 FHEARN N#C[C@H](C(=O)c1ccnc(Cl)c1)c1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000054430159 205200995 /nfs/dbraw/zinc/20/09/95/205200995.db2.gz CAUBCEFQVNDQBR-LLVKDONJSA-N 0 0 359.172 3.527 50 30 FHEARN COc1ccc(C/N=C/c2cc(Br)ccc2O)c(OC)c1 ZINC000057411905 205238471 /nfs/dbraw/zinc/23/84/71/205238471.db2.gz KAXZWXFRKJSFOE-VCHYOVAHSA-N 0 0 350.212 3.791 50 30 FHEARN N#Cc1c(CN2c3cccc4cccc(c34)S2(=O)=O)cn2ccccc12 ZINC000058050389 205249829 /nfs/dbraw/zinc/24/98/29/205249829.db2.gz PJZNRRWSCNCLJR-UHFFFAOYSA-N 0 0 359.410 3.673 50 30 FHEARN Cc1nc(SCCn2cccn2)c(C#N)cc1C(=O)Nc1ccccc1 ZINC000058163604 205251975 /nfs/dbraw/zinc/25/19/75/205251975.db2.gz JESJWLOJNFYIPV-UHFFFAOYSA-N 0 0 363.446 3.503 50 30 FHEARN COc1ccc(Br)cc1/C=N/N1C(=O)C[C@@H]1c1ccccc1 ZINC000059186802 205280657 /nfs/dbraw/zinc/28/06/57/205280657.db2.gz MJMUWLPNBUSHGL-SKCQWOFPSA-N 0 0 359.223 3.765 50 30 FHEARN C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1 ZINC000003563062 205284411 /nfs/dbraw/zinc/28/44/11/205284411.db2.gz LIAGIRAQWUNWNJ-UHFFFAOYSA-N 0 0 356.495 3.672 50 30 FHEARN N#Cc1cccnc1NCCNC(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000064026240 205298146 /nfs/dbraw/zinc/29/81/46/205298146.db2.gz QLQYFSDUFKPLQQ-UHFFFAOYSA-N 0 0 371.853 3.505 50 30 FHEARN N#Cc1ccccc1-c1ccc(COc2ccc(-n3cnnn3)cc2)cc1 ZINC000058557848 205277593 /nfs/dbraw/zinc/27/75/93/205277593.db2.gz PABHYYUJXWAJGO-UHFFFAOYSA-N 0 0 353.385 3.780 50 30 FHEARN CCN(C(=O)c1cc(OC)c2c(c1)OCCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000058712888 205279002 /nfs/dbraw/zinc/27/90/02/205279002.db2.gz LYLIAUAGKBYQNZ-CQSZACIVSA-N 0 0 366.417 3.561 50 30 FHEARN CCc1cc(C(=O)Nc2ccc(C#N)cc2)nc2cc(-c3ccco3)nn21 ZINC000064760343 205305211 /nfs/dbraw/zinc/30/52/11/205305211.db2.gz RPMOTGPNJOVYJE-UHFFFAOYSA-N 0 0 357.373 3.676 50 30 FHEARN N#Cc1ccccc1-c1ccc([C@@H]2CC(=O)NCc3nc4ccccn4c32)o1 ZINC000065374435 205341393 /nfs/dbraw/zinc/34/13/93/205341393.db2.gz TXISNIXXIDLVMD-INIZCTEOSA-N 0 0 368.396 3.618 50 30 FHEARN Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc([C@@H]2CCCCO2)o1 ZINC000071765632 205445003 /nfs/dbraw/zinc/44/50/03/205445003.db2.gz BKVWQYHDUGXRIN-HNNXBMFYSA-N 0 0 363.421 3.746 50 30 FHEARN Cc1nc(C(=O)N2CCCCC[C@H]2CC(=O)c2ccco2)ccc1C#N ZINC000079103375 205636268 /nfs/dbraw/zinc/63/62/68/205636268.db2.gz YZJXNPSXUJSTCJ-INIZCTEOSA-N 0 0 351.406 3.513 50 30 FHEARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3ccccc3F)C12 ZINC000018197375 220228271 /nfs/dbraw/zinc/22/82/71/220228271.db2.gz UYKUWYUJIRPQRY-ZMZPIMSZSA-N 0 0 366.421 3.894 50 30 FHEARN N#Cc1cc2c(nc1NC(=O)CCc1cnn(-c3ccccc3)c1)CCCC2 ZINC000095986325 205801650 /nfs/dbraw/zinc/80/16/50/205801650.db2.gz JHHGBRGGQOEIBI-UHFFFAOYSA-N 0 0 371.444 3.589 50 30 FHEARN C=CCNC(=O)[C@@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccccc2F)C1 ZINC000037546337 206042477 /nfs/dbraw/zinc/04/24/77/206042477.db2.gz BIJUETOVKOFPSE-XLIONFOSSA-N 0 0 366.436 3.721 50 30 FHEARN CNc1ccc(/C=C/C(=O)c2ccc(OCCOC)cc2)cc1[N+](=O)[O-] ZINC000044027722 206061659 /nfs/dbraw/zinc/06/16/59/206061659.db2.gz YKWALRUWKLCGDG-ONNFQVAWSA-N 0 0 356.378 3.558 50 30 FHEARN C=CC[C@H]1N(C(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)CCCC1(C)C ZINC000225512147 206117074 /nfs/dbraw/zinc/11/70/74/206117074.db2.gz KDICHCQSNUMJJM-VQTJNVASSA-N 0 0 372.509 3.856 50 30 FHEARN COc1ccc(CN2C(=O)CS/C2=N/N=C/c2ccc(C)cc2C)cc1 ZINC000002353372 206154157 /nfs/dbraw/zinc/15/41/57/206154157.db2.gz AEXBBHWDOSYSFB-KYPJYIKXSA-N 0 0 367.474 3.778 50 30 FHEARN CCCC(=O)C1=C(Nc2ccccc2OC)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000001234023 206146549 /nfs/dbraw/zinc/14/65/49/206146549.db2.gz SLQTYJXRAVEUFO-GOSISDBHSA-N 0 0 373.449 3.519 50 30 FHEARN COc1ccccc1[C@@H]1[C@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N ZINC000004179099 206170812 /nfs/dbraw/zinc/17/08/12/206170812.db2.gz OTQACOQMALUWFM-VSKRKVRLSA-N 0 0 369.424 3.686 50 30 FHEARN COc1ccccc1/C=N/N=C1/S[C@@H](C)C(=O)N1Cc1ccccc1C ZINC000004889148 206183576 /nfs/dbraw/zinc/18/35/76/206183576.db2.gz HFQHTMUNHGXRQL-PJKUKWEASA-N 0 0 367.474 3.858 50 30 FHEARN N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C2CC2)n1C1CC1 ZINC000005399544 206192553 /nfs/dbraw/zinc/19/25/53/206192553.db2.gz AGBDDUMZOKNEKY-UHFFFAOYSA-N 0 0 373.869 3.746 50 30 FHEARN C[C@@H](Sc1ncc(-c2ccccc2)n1C)C(=O)NC1(C#N)CCCCC1 ZINC000007130399 206204840 /nfs/dbraw/zinc/20/48/40/206204840.db2.gz VBEAAXVWVOQUPS-OAHLLOKOSA-N 0 0 368.506 3.910 50 30 FHEARN COc1ccc(OC[C@H](O)CN(CCC#N)CC(C)C)c(C(C)(C)C)c1 ZINC000007064362 206207011 /nfs/dbraw/zinc/20/70/11/206207011.db2.gz QJUXSCMRLRQLII-QGZVFWFLSA-N 0 0 362.514 3.604 50 30 FHEARN CCc1c(C)sc2nc(S[C@@H](C)C#N)n(C[C@@H]3CCCO3)c(=O)c12 ZINC000005571493 206197586 /nfs/dbraw/zinc/19/75/86/206197586.db2.gz VUJVKGJWGCITET-JQWIXIFHSA-N 0 0 363.508 3.512 50 30 FHEARN COc1cc(/C=C/C(=O)OCc2ccc(C#N)cc2)cc(Cl)c1OC ZINC000005630080 206198985 /nfs/dbraw/zinc/19/89/85/206198985.db2.gz SLYFKUKANPJYAS-BQYQJAHWSA-N 0 0 357.793 3.985 50 30 FHEARN Cc1cc(O)ccc1NC(=NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000006023532 206200173 /nfs/dbraw/zinc/20/01/73/206200173.db2.gz NQYIMUIFLQYOEJ-UHFFFAOYSA-N 0 0 366.442 3.948 50 30 FHEARN COc1cc(/C=C2/S/C(=N/c3ccc(C)c(C)c3)NC2=O)ccc1O ZINC000006215410 206201404 /nfs/dbraw/zinc/20/14/04/206201404.db2.gz ZRFZGTOJHCIEOM-LICLKQGHSA-N 0 0 354.431 3.909 50 30 FHEARN Cc1ccc([C@H]2C3=C(Nc4c2c(=O)[nH]c(=O)n4C)c2ccccc2C3=O)cc1 ZINC000104155403 206236196 /nfs/dbraw/zinc/23/61/96/206236196.db2.gz JTPQKAKOGAIKMJ-HNNXBMFYSA-N 0 0 371.396 3.727 50 30 FHEARN COc1ccc(/C=N/N=C2/S[C@@H](C)C(=O)N2Cc2ccccc2)cc1 ZINC000013583287 206304095 /nfs/dbraw/zinc/30/40/95/206304095.db2.gz CQRVAOVGELNQBP-RDYJYZNMSA-N 0 0 353.447 3.549 50 30 FHEARN C[C@H]1CCc2nc(Sc3ccc([N+](=O)[O-])cc3C=O)c(C#N)cc2C1 ZINC000013573917 206302382 /nfs/dbraw/zinc/30/23/82/206302382.db2.gz BYMYNKFCGAEODE-NSHDSACASA-N 0 0 353.403 3.950 50 30 FHEARN N#Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 ZINC000015542291 206315975 /nfs/dbraw/zinc/31/59/75/206315975.db2.gz XIJMFWBCTGNZGJ-NRFANRHFSA-N 0 0 369.424 3.538 50 30 FHEARN COc1ccccc1/C=N/N=C1/S[C@H](C)C(=O)N1Cc1ccccc1 ZINC000016956811 206321709 /nfs/dbraw/zinc/32/17/09/206321709.db2.gz PPEZDBPTJBHWJX-IHQJQDDPSA-N 0 0 353.447 3.549 50 30 FHEARN Cc1nn(-c2ccccc2)c(CSc2nncn2-c2ccccc2)c1C#N ZINC000018240304 206324217 /nfs/dbraw/zinc/32/42/17/206324217.db2.gz PEIJQVGVHLUTKR-UHFFFAOYSA-N 0 0 372.457 3.925 50 30 FHEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000019315145 206324553 /nfs/dbraw/zinc/32/45/53/206324553.db2.gz SMGPLZYAYNCHSS-QGZVFWFLSA-N 0 0 370.405 3.516 50 30 FHEARN O[C@@](C#C[C@](O)(c1ccccc1)C(F)(F)F)(c1ccccc1)C(F)(F)F ZINC000004348160 206326985 /nfs/dbraw/zinc/32/69/85/206326985.db2.gz CAWQSBSWIGDWAY-HOTGVXAUSA-N 0 0 374.280 3.890 50 30 FHEARN COc1c2c(cc3c1[C@@H](C/C(=N/O)[C@H]1CC=C(C)CC1)[N@H+](C)CC3)OCO2 ZINC000020411776 206331044 /nfs/dbraw/zinc/33/10/44/206331044.db2.gz LURJWDVAWXQBDF-ZBBYLCNOSA-N 0 0 372.465 3.920 50 30 FHEARN Cc1ccc(O[C@H](C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000022476595 206378083 /nfs/dbraw/zinc/37/80/83/206378083.db2.gz KJDODFCNRSVCPS-OAHLLOKOSA-N 0 0 361.363 3.949 50 30 FHEARN Cc1ccc(O[C@@H](C)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1 ZINC000022476597 206378696 /nfs/dbraw/zinc/37/86/96/206378696.db2.gz KJDODFCNRSVCPS-HNNXBMFYSA-N 0 0 361.363 3.949 50 30 FHEARN N#Cc1ccc(-c2ccc(OC(=O)Cn3nnc4ccccc43)cc2)cc1 ZINC000021888654 206362174 /nfs/dbraw/zinc/36/21/74/206362174.db2.gz CANWIAOBGPBADX-UHFFFAOYSA-N 0 0 354.369 3.576 50 30 FHEARN C=CCOc1ccccc1CN1CCN(c2ccc(C(C)=O)cc2)CC1 ZINC000055292249 132303467 /nfs/dbraw/zinc/30/34/67/132303467.db2.gz KPHLUSJSRAYEOK-UHFFFAOYSA-N 0 0 350.462 3.776 50 30 FHEARN C=CCN1c2ccc(C(=O)N[C@H](C)CC)cc2-c2ccccc2S1(=O)=O ZINC000033271869 132374393 /nfs/dbraw/zinc/37/43/93/132374393.db2.gz ZCNZNMISCQFWHE-CQSZACIVSA-N 0 0 370.474 3.577 50 30 FHEARN N#Cc1ccc(N2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000004052781 132386198 /nfs/dbraw/zinc/38/61/98/132386198.db2.gz FVFUZGUMWJZBHP-UHFFFAOYSA-N 0 0 359.351 3.539 50 30 FHEARN N#Cc1c(Cl)nsc1NCc1ccc(N2CCSCC2)cc1 ZINC000052428617 136124291 /nfs/dbraw/zinc/12/42/91/136124291.db2.gz OHYCRSHUPPJHSL-UHFFFAOYSA-N 0 0 350.900 3.833 50 30 FHEARN C=CCn1c(SCC(=O)c2cc(C)n(C)c2C)nc2ccccc2c1=O ZINC000002622393 263145309 /nfs/dbraw/zinc/14/53/09/263145309.db2.gz KQXZRBCWJCLABH-UHFFFAOYSA-N 0 0 367.474 3.513 50 30 FHEARN N#CCCN(C(=O)CSc1nc2ccccc2[nH]1)c1ccc(F)cc1 ZINC000002617680 263145618 /nfs/dbraw/zinc/14/56/18/263145618.db2.gz GJYAVOCKMPFPPS-UHFFFAOYSA-N 0 0 354.410 3.741 50 30 FHEARN C=CCn1ccc2c(OCC(=O)Nc3cccc(C)c3C)cccc2c1=O ZINC000004584210 263334353 /nfs/dbraw/zinc/33/43/53/263334353.db2.gz SKDNBNWOYLFVGE-UHFFFAOYSA-N 0 0 362.429 3.822 50 30 FHEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000004590927 263334421 /nfs/dbraw/zinc/33/44/21/263334421.db2.gz YFWZVQMTKBZPCO-IBGZPJMESA-N 0 0 364.401 3.836 50 30 FHEARN C=CCn1c(=O)c2ccccc2nc1NN=Cc1c(O)ccc2ccccc21 ZINC000004737676 263336320 /nfs/dbraw/zinc/33/63/20/263336320.db2.gz DOXJAKNJEYPOAF-OEAKJJBVSA-N 0 0 370.412 3.887 50 30 FHEARN CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=CNNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004794038 263337052 /nfs/dbraw/zinc/33/70/52/263337052.db2.gz YVWBACPZDDNQBJ-OAOSXQHLSA-N 0 0 360.370 3.542 50 30 FHEARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O ZINC000005195413 263339378 /nfs/dbraw/zinc/33/93/78/263339378.db2.gz BXVARRUDFDVRME-XACIZNRCSA-N 0 0 356.349 3.772 50 30 FHEARN C=CCn1c(S[C@H](C(N)=O)c2ccccc2)nnc1C1CCCCC1 ZINC000008983221 263358050 /nfs/dbraw/zinc/35/80/50/263358050.db2.gz SYLGAWIHVUVSTL-INIZCTEOSA-N 0 0 356.495 3.831 50 30 FHEARN C=C(C)CN(CC)C(=O)c1sc2ncnc(NC[C@H]3CCCO3)c2c1C ZINC000012456359 263370457 /nfs/dbraw/zinc/37/04/57/263370457.db2.gz IKUMCDQPVOSFQZ-CQSZACIVSA-N 0 0 374.510 3.629 50 30 FHEARN C/C(=N\Oc1cc(N)cc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000018210184 263373298 /nfs/dbraw/zinc/37/32/98/263373298.db2.gz SBMWQFVUFFPGJG-RQZCQDPDSA-N 0 0 350.172 3.743 50 30 FHEARN CN(C)c1ccc(C=[NH+][N-]c2cc(N3CCCC3)ccc2[N+](=O)[O-])cc1 ZINC000030769985 263391307 /nfs/dbraw/zinc/39/13/07/263391307.db2.gz ZGSKHJYQECWTGV-ZHZULCJRSA-N 0 0 353.426 3.707 50 30 FHEARN CC(=O)c1cccc(OCC(=O)Nc2ccccc2SCCC#N)c1 ZINC000095953536 263430261 /nfs/dbraw/zinc/43/02/61/263430261.db2.gz QGJOHLFSKMROSU-UHFFFAOYSA-N 0 0 354.431 3.912 50 30 FHEARN C#CC(CC)(CC)NC(=O)Cc1csc2nc(-c3ccccc3)cn12 ZINC000012525609 518239204 /nfs/dbraw/zinc/23/92/04/518239204.db2.gz XGLYBNJEWJKLDM-UHFFFAOYSA-N 0 0 351.475 3.914 50 30 FHEARN C#CCn1c2c(cccc2OCC)s/c1=N\C(=O)c1c(F)cccc1F ZINC000100910371 518340823 /nfs/dbraw/zinc/34/08/23/518340823.db2.gz BMDXKDAGGNBUPN-QOCHGBHMSA-N 0 0 372.396 3.754 50 30 FHEARN C#Cc1cccc(NC(=O)CNC(=O)c2ccccc2SC(C)C)c1 ZINC000058224520 518363668 /nfs/dbraw/zinc/36/36/68/518363668.db2.gz BIOCDMPZHGJSJF-UHFFFAOYSA-N 0 0 352.459 3.537 50 30 FHEARN CC(C)(C)C1CCC(C(=O)OCC(=O)N(CC#N)c2ccccc2)CC1 ZINC000023866966 518603505 /nfs/dbraw/zinc/60/35/05/518603505.db2.gz IYXJXISPEGEPQO-UHFFFAOYSA-N 0 0 356.466 3.939 50 30 FHEARN C=CCC1=C(OC(C)=O)C2=CC=C3C(C)=C(C)C(=O)C[C@]3(C)C2C(=O)C1=O ZINC000068564887 518689841 /nfs/dbraw/zinc/68/98/41/518689841.db2.gz DAUGPTXSWLWTPQ-QFIPXVFZSA-N 0 0 366.413 3.956 50 30 FHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)COc1cccc(C)c1 ZINC000007720994 518798591 /nfs/dbraw/zinc/79/85/91/518798591.db2.gz STPLADNBBIYYCO-UHFFFAOYSA-N 0 0 363.417 3.639 50 30 FHEARN C=CCOc1ccc(CN(C)CC(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000003408591 519031706 /nfs/dbraw/zinc/03/17/06/519031706.db2.gz NZFATVJPWQHVFG-UHFFFAOYSA-N 0 0 350.462 3.811 50 30 FHEARN C=CCc1ccc(OCC(=O)NCCc2c[nH]c3ccccc23)c(OC)c1 ZINC000035870898 519134891 /nfs/dbraw/zinc/13/48/91/519134891.db2.gz AGTFODABWZNLTD-UHFFFAOYSA-N 0 0 364.445 3.643 50 30 FHEARN C=CCn1c(C)cc(C(=O)CSc2nnc(NC(C)C)s2)c1C ZINC000003383344 519171131 /nfs/dbraw/zinc/17/11/31/519171131.db2.gz WXYKNCSOMDQAAF-UHFFFAOYSA-N 0 0 350.513 3.938 50 30 FHEARN C=CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1ccco1 ZINC000000970304 519217726 /nfs/dbraw/zinc/21/77/26/519217726.db2.gz MEKYOGKCSYEHDZ-UHFFFAOYSA-N 0 0 358.398 3.594 50 30 FHEARN C=CCn1c(SC[C@H](C#N)CCC#N)nnc1-c1ccc(OC)cc1 ZINC000008924724 519237058 /nfs/dbraw/zinc/23/70/58/519237058.db2.gz COZJZKMLXMOFDJ-AWEZNQCLSA-N 0 0 353.451 3.675 50 30 FHEARN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccncc1 ZINC000001454865 519242048 /nfs/dbraw/zinc/24/20/48/519242048.db2.gz MWTFVEADAJSREB-UHFFFAOYSA-N 0 0 353.407 3.727 50 30 FHEARN C=CCn1c(S[C@@H](C(N)=O)c2ccc(F)cc2)nnc1C1CCCCC1 ZINC000008707405 519250804 /nfs/dbraw/zinc/25/08/04/519250804.db2.gz VCNJRDKWGJJDNF-MRXNPFEDSA-N 0 0 374.485 3.970 50 30 FHEARN C=CCn1c2ccccc2nc1SCc1cc(=O)n2ccc(C)cc2n1 ZINC000011650685 519269287 /nfs/dbraw/zinc/26/92/87/519269287.db2.gz YFPHMZIEPAIAGP-UHFFFAOYSA-N 0 0 362.458 3.831 50 30 FHEARN C=CCn1cc([C@@H]2C[C@H](NC(C)=O)C[C@H](CCc3ccccc3)O2)c(C)n1 ZINC000065525972 519283113 /nfs/dbraw/zinc/28/31/13/519283113.db2.gz FXBHWNGNLJRAJR-URVUXULASA-N 0 0 367.493 3.735 50 30 FHEARN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3[C@H](OC(C)=O)C[C@]12C ZINC000254438772 519756958 /nfs/dbraw/zinc/75/69/58/519756958.db2.gz FAGOJCSZVVRBFD-NXWUBYMWSA-N 0 0 374.477 3.602 50 30 FHEARN CC(C)Oc1ccccc1/C=C\C(=O)c1ccc(OCC(=O)N(C)C)cc1 ZINC000096759320 519783844 /nfs/dbraw/zinc/78/38/44/519783844.db2.gz RZNWJPOSFMRPRQ-KAMYIIQDSA-N 0 0 367.445 3.837 50 30 FHEARN CCCCC(=O)O/N=C1/c2ccccc2N(Cc2ccc(C)cc2)C1=O ZINC000003064108 519916741 /nfs/dbraw/zinc/91/67/41/519916741.db2.gz JNRRQNARZDBWJD-XDOYNYLZSA-N 0 0 350.418 3.979 50 30 FHEARN CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C\c2ccc(C)s2)cc1 ZINC000033477561 520789664 /nfs/dbraw/zinc/78/96/64/520789664.db2.gz MXZZLHCXNCZDQJ-RAXLEYEMSA-N 0 0 363.504 3.983 50 30 FHEARN CCCCOc1nc2ccccc2nc1[C@H](C#N)C(=O)NC1CCCCC1 ZINC000002244569 520920385 /nfs/dbraw/zinc/92/03/85/520920385.db2.gz MGOBKWAROVUNBE-INIZCTEOSA-N 0 0 366.465 3.865 50 30 FHEARN CCOc1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000238901403 520932223 /nfs/dbraw/zinc/93/22/23/520932223.db2.gz LZRGNRVXZAUVJR-UHFFFAOYSA-N 0 0 357.885 3.890 50 30 FHEARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O ZINC000008476952 521033939 /nfs/dbraw/zinc/03/39/39/521033939.db2.gz OSOUOYHYRXGRBV-AXLWCPOOSA-N 0 0 352.386 3.942 50 30 FHEARN CCOc1cccc(/C=N\NS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000032573574 521316196 /nfs/dbraw/zinc/31/61/96/521316196.db2.gz QCLUBDJCSSBMHG-ZDLGFXPLSA-N 0 0 373.261 3.705 50 30 FHEARN CCOC(=O)c1c(C)[nH]c(C(=O)/C=C\c2cc(OC)cc(OC)c2)c1C ZINC000096792241 521376371 /nfs/dbraw/zinc/37/63/71/521376371.db2.gz XYDRYCFOWMHLLI-FPLPWBNLSA-N 0 0 357.406 3.722 50 30 FHEARN CCCNC(=O)[C@@H](C)NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000082070620 521659021 /nfs/dbraw/zinc/65/90/21/521659021.db2.gz GFWMAVSQSDUHPT-GFCCVEGCSA-N 0 0 359.392 3.849 50 30 FHEARN COc1cc(C(=O)/C=C/c2cccc(NC(=O)C(F)(F)F)c2)ccc1O ZINC000009836418 522050795 /nfs/dbraw/zinc/05/07/95/522050795.db2.gz VZFBQZFUHTVVOH-FNORWQNLSA-N 0 0 365.307 3.798 50 30 FHEARN COc1cc(OC)c(OC)cc1/C=C\C(=O)c1ccc2c(c1)OCCCO2 ZINC000096766091 522820130 /nfs/dbraw/zinc/82/01/30/522820130.db2.gz UDRAQIQDXIVGET-ALCCZGGFSA-N 0 0 370.401 3.770 50 30 FHEARN COc1ccc(-c2cc(C#N)nc(N=NC(C)c3ccccc3O)n2)cc1 ZINC000004857611 523090063 /nfs/dbraw/zinc/09/00/63/523090063.db2.gz BUUSJIIWAFQDEW-ZMOGYAJESA-N 0 0 359.389 3.566 50 30 FHEARN COc1ccc(/C=C/C(=O)c2cn(C)nc2C)cc1Cn1cc(Cl)cn1 ZINC000006921427 523402025 /nfs/dbraw/zinc/40/20/25/523402025.db2.gz LFALUYIWPIYCIX-GQCTYLIASA-N 0 0 370.840 3.531 50 30 FHEARN CN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=Nc1ccc(Cl)cc1 ZINC000252594184 523675110 /nfs/dbraw/zinc/67/51/10/523675110.db2.gz BQFSPZWMEVVSOB-TUOJWVEWSA-N 0 0 369.833 3.896 50 30 FHEARN CC[C@H](C#N)NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C ZINC000060342130 523751129 /nfs/dbraw/zinc/75/11/29/523751129.db2.gz PILYTQDPRCQQNI-GFCCVEGCSA-N 0 0 353.451 3.773 50 30 FHEARN COc1ccc(CCNC2=CC(=O)C[C@H](c3ccc(N(C)C)cc3)C2)cc1 ZINC000004741313 523973674 /nfs/dbraw/zinc/97/36/74/523973674.db2.gz QLKHQFHZCRMLKV-LJQANCHMSA-N 0 0 364.489 3.924 50 30 FHEARN COc1ccc(Cn2c3ccccc3nc2CN2CCC[C@H](C=O)C2)cc1 ZINC000261490913 524257889 /nfs/dbraw/zinc/25/78/89/524257889.db2.gz OVRFIUXNLOUMKZ-SFHVURJKSA-N 0 0 363.461 3.504 50 30 FHEARN COc1ccc(N=C2S/C(=C\c3cc(C)n(C)c3C)C(=O)N2C)cc1 ZINC000252622028 524447919 /nfs/dbraw/zinc/44/79/19/524447919.db2.gz NMZYIIFZQKCJMB-JWZKOSBISA-N 0 0 355.463 3.884 50 30 FHEARN COc1ccc(NC(=O)ONC(=N)c2ccc3c(c2)C=CC(C)(C)O3)cc1 ZINC000004362139 524581007 /nfs/dbraw/zinc/58/10/07/524581007.db2.gz VAAUIPSJAMBKBO-UHFFFAOYSA-N 0 0 367.405 3.748 50 30 FHEARN C[C@H](Oc1cccc(C#N)c1)C(=O)N1CC[C@H](Oc2ccccc2Cl)C1 ZINC000089420060 525942546 /nfs/dbraw/zinc/94/25/46/525942546.db2.gz FSANAFYMWXPMME-YOEHRIQHSA-N 0 0 370.836 3.659 50 30 FHEARN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1 ZINC000018114171 526269200 /nfs/dbraw/zinc/26/92/00/526269200.db2.gz XWNUEAIVSCNWEA-HXUWFJFHSA-N 0 0 370.408 3.860 50 30 FHEARN N#CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)s2)c2ccccc21 ZINC000002840929 526446594 /nfs/dbraw/zinc/44/65/94/526446594.db2.gz BFFUGAVLUDUEIJ-GOSISDBHSA-N 0 0 374.849 3.512 50 30 FHEARN N#CCCN(C(=O)CSc1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000003477871 526452221 /nfs/dbraw/zinc/45/22/21/526452221.db2.gz SKLJKQPFEBBVJG-UHFFFAOYSA-N 0 0 364.430 3.776 50 30 FHEARN N#CCC[C@@H](C#N)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000012526474 526464903 /nfs/dbraw/zinc/46/49/03/526464903.db2.gz FOTYCVFNAMUJKA-HNNXBMFYSA-N 0 0 360.446 3.865 50 30 FHEARN N#C[C@@H](C(=O)CCCc1c[nH]c2ccccc12)c1nnc2n1CCCCC2 ZINC000041509876 526490367 /nfs/dbraw/zinc/49/03/67/526490367.db2.gz IWLJXHSWIMPCMV-KRWDZBQOSA-N 0 0 361.449 3.685 50 30 FHEARN N#Cc1ccc(OCC(=O)N2CCC(=Cc3ccccc3F)CC2)cc1 ZINC000079093653 526670776 /nfs/dbraw/zinc/67/07/76/526670776.db2.gz ZRZZLYPORWVPOH-UHFFFAOYSA-N 0 0 350.393 3.782 50 30 FHEARN O=C(Cc1cccs1)NCC#CCOc1cccc(C(F)(F)F)c1 ZINC000085474051 527303128 /nfs/dbraw/zinc/30/31/28/527303128.db2.gz JCXYBHPEOGKQJX-UHFFFAOYSA-N 0 0 353.365 3.508 50 30 FHEARN CCN1CC2(CCN(c3cccc(C#N)n3)CC2)C[C@H](c2ccccc2)C1=O ZINC000091444811 535443500 /nfs/dbraw/zinc/44/35/00/535443500.db2.gz LIJBOQOMRHNGAD-HXUWFJFHSA-N 0 0 374.488 3.576 50 30 FHEARN CCN1CC2(CCN(c3cccc(C#N)n3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091444812 535443744 /nfs/dbraw/zinc/44/37/44/535443744.db2.gz LIJBOQOMRHNGAD-FQEVSTJZSA-N 0 0 374.488 3.576 50 30 FHEARN CN(N=C1CCCCC1)c1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000001105931 536487546 /nfs/dbraw/zinc/48/75/46/536487546.db2.gz 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/nfs/dbraw/zinc/47/68/37/570476837.db2.gz ZVRNFSHSPHIZBV-REZTVBANSA-N 0 0 362.798 3.654 50 30 FHEARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)ONC(=O)c1ccco1 ZINC000001048679 570477387 /nfs/dbraw/zinc/47/73/87/570477387.db2.gz ALFMFHPBOJRTNF-UHFFFAOYSA-N 0 0 364.716 3.537 50 30 FHEARN S=C1N=NC(c2ccncc2)N1N=Cc1ccc(Cl)c(Cl)c1 ZINC000001249010 570496263 /nfs/dbraw/zinc/49/62/63/570496263.db2.gz CWOIDUKTLAKVKE-QGMBQPNBSA-N 0 0 350.234 3.818 50 30 FHEARN N/N=C1\c2ccccc2C(=O)[C@@H]1C(=O)C(c1ccccc1)c1ccccc1 ZINC000100033662 570498416 /nfs/dbraw/zinc/49/84/16/570498416.db2.gz QBGMRRUHCFHZLC-YXQDFNCHSA-N 0 0 354.409 3.563 50 30 FHEARN O=C1c2c(F)c(F)c(F)c(F)c2C(=O)c2c(F)c(F)c(F)c(F)c21 ZINC000100085685 570498833 /nfs/dbraw/zinc/49/88/33/570498833.db2.gz JHJWVVOLGHMBPQ-UHFFFAOYSA-N 0 0 352.136 3.575 50 30 FHEARN CCCC(=O)C1=C(Nc2ccc(C)cc2)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000100319528 570503091 /nfs/dbraw/zinc/50/30/91/570503091.db2.gz GRUWUNXUKKHSRB-GOSISDBHSA-N 0 0 357.450 3.818 50 30 FHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000100562453 570505243 /nfs/dbraw/zinc/50/52/43/570505243.db2.gz PWLMDOCRAWILST-HXUWFJFHSA-N 0 0 368.477 3.674 50 30 FHEARN Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000014137496 570517506 /nfs/dbraw/zinc/51/75/06/570517506.db2.gz MCLQKHLOAZBPFY-UHFFFAOYSA-N 0 0 373.865 3.831 50 30 FHEARN C=CCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(=O)C1CC1 ZINC000004978902 570570943 /nfs/dbraw/zinc/57/09/43/570570943.db2.gz XAPUJQVXSSWKNI-UHFFFAOYSA-N 0 0 366.461 3.541 50 30 FHEARN CCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000005044462 570619157 /nfs/dbraw/zinc/61/91/57/570619157.db2.gz BLJDPUJFDYKKIT-CPNJWEJPSA-N 0 0 366.870 3.831 50 30 FHEARN C=CCn1c([C@H](C)CC)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000252479373 570622125 /nfs/dbraw/zinc/62/21/25/570622125.db2.gz BDTXPSMQIOEQLT-HUUCEWRRSA-N 0 0 373.467 3.688 50 30 FHEARN O=[N+]([O-])c1cccc(C=Nc2ccc(I)cc2)c1 ZINC000254827212 570626563 /nfs/dbraw/zinc/62/65/63/570626563.db2.gz LKCMREMLEOKTFK-UHFFFAOYSA-N 0 0 352.131 3.950 50 30 FHEARN COc1ccc(/C=N/N=c2/scc(-c3ccc(OC)cc3)n2C)cc1 ZINC000005242428 570639536 /nfs/dbraw/zinc/63/95/36/570639536.db2.gz IXNAWWVXFOBASD-IHBSRWQLSA-N 0 0 353.447 3.706 50 30 FHEARN CCN1C(=O)C[C@@H](C(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1 ZINC000097466278 570688023 /nfs/dbraw/zinc/68/80/23/570688023.db2.gz WKPPEZGMWARDKV-INIZCTEOSA-N 0 0 371.437 3.806 50 30 FHEARN C#CCO[S@@](=O)O[C@H]1CCCC[C@H]1Oc1ccc(C(C)(C)C)cc1 ZINC000009302308 570693770 /nfs/dbraw/zinc/69/37/70/570693770.db2.gz ZYHMJXZULPZUED-YTZAWJCFSA-N 0 0 350.480 3.919 50 30 in-vitro FHEARN CC(=NS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(O)c(C)c1C ZINC000012372150 570739618 /nfs/dbraw/zinc/73/96/18/570739618.db2.gz NWHUPEPGZATLCM-UHFFFAOYSA-N 0 0 352.843 3.882 50 30 FHEARN CCOc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)ccc1OC ZINC000012411526 570743309 /nfs/dbraw/zinc/74/33/09/570743309.db2.gz HYUCWEWKBSIAJS-SFQUDFHCSA-N 0 0 354.431 3.986 50 30 FHEARN COc1ccc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccccc3)C2)cc1 ZINC000013124630 570773744 /nfs/dbraw/zinc/77/37/44/570773744.db2.gz QACQTXVGMYXTPG-IERDGZPVSA-N 0 0 372.428 3.702 50 30 FHEARN O=C1N/C(=N\c2ccc(Cl)cc2)S[C@H]1Cc1cccc([N+](=O)[O-])c1 ZINC000013477824 570778199 /nfs/dbraw/zinc/77/81/99/570778199.db2.gz DPQWYLXGIKBTOQ-AWEZNQCLSA-N 0 0 361.810 3.710 50 30 FHEARN COc1ccc(CN(C)C(=S)NCCc2ccccc2)c(OC)c1OC ZINC000013656273 570782495 /nfs/dbraw/zinc/78/24/95/570782495.db2.gz HGGIRFOTPQJNSB-UHFFFAOYSA-N 0 0 374.506 3.673 50 30 FHEARN COc1ccc(CCNC(=S)NCCc2c[nH]c3ccccc23)cc1 ZINC000013684818 570784620 /nfs/dbraw/zinc/78/46/20/570784620.db2.gz NZPJCBWBZFOEEK-UHFFFAOYSA-N 0 0 353.491 3.837 50 30 FHEARN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000032770590 570797057 /nfs/dbraw/zinc/79/70/57/570797057.db2.gz HWXQQWZJCBZEDD-UHFFFAOYSA-N 0 0 352.799 3.630 50 30 FHEARN CCOC(=O)c1c2c(sc1NC(=O)c1ccccc1)/C(=N\O)CCC2 ZINC000013941944 570797962 /nfs/dbraw/zinc/79/79/62/570797962.db2.gz GZRIWWRGSMQCLV-MOSHPQCFSA-N 0 0 358.419 3.692 50 30 FHEARN CC(=O)Nc1cccc(-n2c(C)nnc2SCc2ccccc2C#N)c1 ZINC000032778975 570800620 /nfs/dbraw/zinc/80/06/20/570800620.db2.gz ACYPHYIKWPVKMM-UHFFFAOYSA-N 0 0 363.446 3.698 50 30 FHEARN CCCOc1cc(Cl)c([C@H]2NC(=O)NC(C)=C2C(C)=O)cc1OCC ZINC000004503826 570802691 /nfs/dbraw/zinc/80/26/91/570802691.db2.gz XZJBUYDXJRDQDN-QGZVFWFLSA-N 0 0 366.845 3.744 50 30 FHEARN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1cccc(Cl)c1Cl ZINC000032832137 570818729 /nfs/dbraw/zinc/81/87/29/570818729.db2.gz UWTAFYJQTNKADF-SJKOYZFVSA-N 0 0 356.297 3.868 50 30 FHEARN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1csc2c1CCCC2 ZINC000102145093 570827684 /nfs/dbraw/zinc/82/76/84/570827684.db2.gz LLOXBHWGJNTIKI-AWEZNQCLSA-N 0 0 368.458 3.987 50 30 FHEARN N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000102387429 570831275 /nfs/dbraw/zinc/83/12/75/570831275.db2.gz IDHIIVYXGXCARA-MRXNPFEDSA-N 0 0 354.369 3.677 50 30 FHEARN CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000102401969 570831713 /nfs/dbraw/zinc/83/17/13/570831713.db2.gz UOGIPNRVRXMOEG-ZSFFSCSXSA-N 0 0 350.418 3.690 50 30 FHEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 ZINC000102623354 570834579 /nfs/dbraw/zinc/83/45/79/570834579.db2.gz WOQNFIGANJVPAY-LFVOPCPISA-N 0 0 365.429 3.917 50 30 FHEARN O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(-n2cccn2)cc1 ZINC000024507139 570849627 /nfs/dbraw/zinc/84/96/27/570849627.db2.gz IATZOWUBECYSOQ-UHFFFAOYSA-N 0 0 369.346 3.673 50 30 FHEARN Cc1cc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)nc(C)n1 ZINC000024568965 570859385 /nfs/dbraw/zinc/85/93/85/570859385.db2.gz ITFLJYXQDRDZLE-JTQLQIEISA-N 0 0 372.519 3.882 50 30 FHEARN O=C1N/C(=N\N=C\c2ccco2)S[C@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000016972762 570864526 /nfs/dbraw/zinc/86/45/26/570864526.db2.gz ICZDBGCTWHNIEE-VFJJTOLMSA-N 0 0 368.245 3.751 50 30 FHEARN C[C@H](Sc1cccc[n+]1[O-])C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000209595394 570868974 /nfs/dbraw/zinc/86/89/74/570868974.db2.gz NPQSBBNLLMYRAH-RVAQLADHSA-N 0 0 354.475 3.681 50 30 FHEARN Cc1nc(NC(=NC(=O)c2ccccc2)Nc2ccccc2)[nH]c(=O)c1C ZINC000018208858 570876860 /nfs/dbraw/zinc/87/68/60/570876860.db2.gz UARTVMQNEPFXLB-UHFFFAOYSA-N 0 0 361.405 3.519 50 30 FHEARN C=CCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@H]1c1ccc(F)cc1 ZINC000012063456 570888849 /nfs/dbraw/zinc/88/88/49/570888849.db2.gz YDMRYAKJXWYKMS-HXUWFJFHSA-N 0 0 363.392 3.961 50 30 FHEARN COc1cc(NC=CC(=O)c2ccc3c(c2)OCO3)c(OC)cc1Cl ZINC000044842802 570901225 /nfs/dbraw/zinc/90/12/25/570901225.db2.gz HUZUAAGRRKBANS-AATRIKPKSA-N 0 0 361.781 3.894 50 30 FHEARN COC(=O)c1ccc(C(=O)OC)c(NC=CC(=O)c2cc(C)ccc2C)c1 ZINC000044844468 570901699 /nfs/dbraw/zinc/90/16/99/570901699.db2.gz YMIDPSOTKCYHNR-MDZDMXLPSA-N 0 0 367.401 3.685 50 30 FHEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@@H](c3ccc4c(c3)OCO4)[C@@H]12 ZINC000019832077 570904511 /nfs/dbraw/zinc/90/45/11/570904511.db2.gz UTFDOICSYNMKMM-TZIWHRDSSA-N 0 0 371.392 3.821 50 30 FHEARN Cc1nc(NC(N)=NC(=S)Nc2ccc(Cl)cc2)nc2ccccc12 ZINC000019859360 570904859 /nfs/dbraw/zinc/90/48/59/570904859.db2.gz TUVBARSESKUNDM-UHFFFAOYSA-N 0 0 370.869 3.936 50 30 FHEARN Brc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1 ZINC000019879307 570905477 /nfs/dbraw/zinc/90/54/77/570905477.db2.gz RXTBFFWCGVIGEM-XSFVSMFZSA-N 0 0 358.283 3.601 50 30 FHEARN O=C1N/C(=N\C2CCCC2)S/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000020987413 570927288 /nfs/dbraw/zinc/92/72/88/570927288.db2.gz BWSYOLOVNXXPBW-JYRVWZFOSA-N 0 0 351.815 3.751 50 30 FHEARN COc1ccccc1NC(=NC(=O)c1cccc(C)c1)NCc1cccnc1 ZINC000046127868 570927154 /nfs/dbraw/zinc/92/71/54/570927154.db2.gz ZYDKJCRNNMRETI-UHFFFAOYSA-N 0 0 374.444 3.797 50 30 FHEARN COc1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)c1OC ZINC000006675595 570936676 /nfs/dbraw/zinc/93/66/76/570936676.db2.gz DMUWFAAHBNHWFJ-UHFFFAOYSA-N 0 0 374.853 3.787 50 30 FHEARN O=C(CCCc1nc(-c2cccs2)no1)Nc1n[nH]c(C(F)(F)F)n1 ZINC000048312106 570944253 /nfs/dbraw/zinc/94/42/53/570944253.db2.gz DAXKENSXJVVWPM-UHFFFAOYSA-N 0 0 372.332 3.546 50 30 FHEARN Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N(C)C[C@@H](C)C#N ZINC000048363425 570951603 /nfs/dbraw/zinc/95/16/03/570951603.db2.gz XMFYWWBTQZCQQF-HBWSCVEGSA-N 0 0 370.884 3.833 50 30 FHEARN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000023220069 570959720 /nfs/dbraw/zinc/95/97/20/570959720.db2.gz BKZHKCXQEHTTQR-CXAGYDPISA-N 0 0 355.404 3.580 50 30 FHEARN Cc1nc2ccc(NC(=O)CCc3c(C)nn(CCC#N)c3C)cc2s1 ZINC000023883133 570968887 /nfs/dbraw/zinc/96/88/87/570968887.db2.gz WOOBHROQRFIONW-UHFFFAOYSA-N 0 0 367.478 3.903 50 30 FHEARN Cc1c(C#N)c(Sc2n[nH]c(=O)n2C2CCCCC2)nc2ccccc12 ZINC000001324164 571049082 /nfs/dbraw/zinc/04/90/82/571049082.db2.gz RIJMTEOCCONVQW-UHFFFAOYSA-N 0 0 365.462 3.956 50 30 FHEARN CCOc1ccc2c(c1)O/C(=C\c1ccccc1O[C@H](C)C(=O)OC)C2=O ZINC000008823730 571062509 /nfs/dbraw/zinc/06/25/09/571062509.db2.gz ZJBHPNFVZBMJCW-LPXFMOJISA-N 0 0 368.385 3.642 50 30 FHEARN C=CCN1CC2(CCC1=O)CCN(C(=O)c1ccc(Cl)c(F)c1)CC2 ZINC000091780246 571063003 /nfs/dbraw/zinc/06/30/03/571063003.db2.gz XAOIWAHIAQRGQB-UHFFFAOYSA-N 0 0 364.848 3.510 50 30 FHEARN C=C(Br)CNC(=O)c1cc(-c2ccncc2)nc2ccccc21 ZINC000058418770 571063106 /nfs/dbraw/zinc/06/31/06/571063106.db2.gz RGZYRFGNHOWORM-UHFFFAOYSA-N 0 0 368.234 3.935 50 30 FHEARN N#C[C@@H](c1ccccc1)[C@H]1CCCCN1CC(=O)Nc1cccc(F)c1 ZINC000072308612 571065425 /nfs/dbraw/zinc/06/54/25/571065425.db2.gz FHPABCBPODTRGR-VQTJNVASSA-N 0 0 351.425 3.926 50 30 FHEARN CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN(CCC#N)CC1CCC1 ZINC000072308440 571065519 /nfs/dbraw/zinc/06/55/19/571065519.db2.gz UMRRZXFYKCYRQH-UHFFFAOYSA-N 0 0 359.489 3.969 50 30 FHEARN CC[C@H](C)N(CC#Cc1ccccc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000063848945 571072111 /nfs/dbraw/zinc/07/21/11/571072111.db2.gz YBGLBNSGBQJUNZ-SFHVURJKSA-N 0 0 355.503 3.742 50 30 FHEARN Cc1nc(COc2ccc(/C=C3/CCc4cc(O)ccc4C3=O)cc2)no1 ZINC000084281390 571080454 /nfs/dbraw/zinc/08/04/54/571080454.db2.gz PDDZAFPGDDPTHA-YBEGLDIGSA-N 0 0 362.385 3.875 50 30 FHEARN C[C@H]1Cc2ccccc2N1C1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000040135256 571083503 /nfs/dbraw/zinc/08/35/03/571083503.db2.gz XTSRDVRTYZQPKR-HNNXBMFYSA-N 0 0 362.433 3.886 50 30 FHEARN C[C@@H]1Cc2ccccc2N1C1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 ZINC000040135255 571083508 /nfs/dbraw/zinc/08/35/08/571083508.db2.gz XTSRDVRTYZQPKR-OAHLLOKOSA-N 0 0 362.433 3.886 50 30 FHEARN C#Cc1cccc(NC(=O)CNC(=O)c2ccccc2Nc2ccccc2)c1 ZINC000040152074 571086347 /nfs/dbraw/zinc/08/63/47/571086347.db2.gz RBIJCGSBDMOKQN-UHFFFAOYSA-N 0 0 369.424 3.780 50 30 FHEARN C=CCSc1nnc(NC(=O)c2cc(=O)c3cc(C)cc(C)c3o2)s1 ZINC000009066152 571095019 /nfs/dbraw/zinc/09/50/19/571095019.db2.gz ZSKGDYZMNXXHTK-UHFFFAOYSA-N 0 0 373.459 3.792 50 30 FHEARN Cc1nn(-c2ccccc2)c2c1C[C@@](C#N)(c1ccccn1)[C@@H]1CCCN21 ZINC000229706501 571095035 /nfs/dbraw/zinc/09/50/35/571095035.db2.gz LVBJAXYKDWSGLN-RBBKRZOGSA-N 0 0 355.445 3.562 50 30 FHEARN N#Cc1ncc(C(F)(F)F)cc1-n1cc(C(F)(F)F)cc(Cl)c1=O ZINC000261494785 571101886 /nfs/dbraw/zinc/10/18/86/571101886.db2.gz GPDGSZHSOGPOPA-UHFFFAOYSA-N 0 0 367.636 3.795 50 30 FHEARN C=CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000004570991 571102494 /nfs/dbraw/zinc/10/24/94/571102494.db2.gz QDPNMFONKDBSRZ-AWEZNQCLSA-N 0 0 370.836 3.896 50 30 FHEARN C=CCn1c(C)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000006909852 571104354 /nfs/dbraw/zinc/10/43/54/571104354.db2.gz REBJPKUAUDPCHN-UHFFFAOYSA-N 0 0 357.266 3.810 50 30 FHEARN C=CCOc1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000009356420 571106077 /nfs/dbraw/zinc/10/60/77/571106077.db2.gz FJSPVYUOGFJKEE-UHFFFAOYSA-N 0 0 368.252 3.815 50 30 FHEARN Cc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3cccnc3)CO4)C2=O)o1 ZINC000009422100 571108609 /nfs/dbraw/zinc/10/86/09/571108609.db2.gz HIFYSVHXOANMAQ-UKWGHVSLSA-N 0 0 374.396 3.951 50 30 FHEARN C=CCN(C(=O)Cc1ccc(NC(C)=O)cc1)c1nc2c(s1)CCCC2 ZINC000012789653 571118639 /nfs/dbraw/zinc/11/86/39/571118639.db2.gz SMYHVCDDWFEVNG-UHFFFAOYSA-N 0 0 369.490 3.742 50 30 FHEARN O[C@@](C#C[C@@](O)(c1ccccc1)C(F)(F)F)(c1ccccc1)C(F)(F)F ZINC000012955475 571119051 /nfs/dbraw/zinc/11/90/51/571119051.db2.gz CAWQSBSWIGDWAY-IYBDPMFKSA-N 0 0 374.280 3.890 50 30 FHEARN O=C1c2ccccc2N[C@@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1O ZINC000015932733 571121357 /nfs/dbraw/zinc/12/13/57/571121357.db2.gz KLGYIJPUSMOYKL-QGZVFWFLSA-N 0 0 351.318 3.811 50 30 FHEARN C=CCn1c(=O)cc(C(F)(F)F)nc1SCc1ccccc1C#N ZINC000001403054 571123948 /nfs/dbraw/zinc/12/39/48/571123948.db2.gz SWGRJLREGIQKME-UHFFFAOYSA-N 0 0 351.353 3.612 50 30 FHEARN CCOC(=O)[C@@]1(C)CC[C@@H]2[C@H](CC=C3C[C@@H](O)CC[C@@]32C)[C@@H]1C/C=N/O ZINC000071786526 571133929 /nfs/dbraw/zinc/13/39/29/571133929.db2.gz RSZALTHHHIVRCG-NACQFLKVSA-N 0 0 363.498 3.930 50 30 FHEARN CCOC(=O)[C@@]1(C)CC[C@@H]2[C@H](CC=C3C[C@H](O)CC[C@@]32C)[C@H]1C/C=N/O ZINC000257358111 571135165 /nfs/dbraw/zinc/13/51/65/571135165.db2.gz RSZALTHHHIVRCG-RGOJDAEASA-N 0 0 363.498 3.930 50 30 FHEARN N#C[C@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)c1ccccc1F ZINC000076646676 571139418 /nfs/dbraw/zinc/13/94/18/571139418.db2.gz BVSJSFPEFLVJLG-KRWDZBQOSA-N 0 0 354.772 3.659 50 30 FHEARN Cc1ccc(-c2nc(CSCC(=O)Nc3ccccc3C#N)no2)cc1 ZINC000015867749 571140469 /nfs/dbraw/zinc/14/04/69/571140469.db2.gz HAEJUDAJTCKPDF-UHFFFAOYSA-N 0 0 364.430 3.789 50 30 FHEARN C[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccccc3)sc2C1 ZINC000000985767 571141512 /nfs/dbraw/zinc/14/15/12/571141512.db2.gz AGBUVBDNPMTXRT-LLVKDONJSA-N 0 0 355.488 3.871 50 30 FHEARN N#CC1=NN(c2ccc(Br)cc2)[C@H](c2ccccc2)CC1=O ZINC000000990230 571141603 /nfs/dbraw/zinc/14/16/03/571141603.db2.gz SJNNTHXALOBPHS-INIZCTEOSA-N 0 0 354.207 3.849 50 30 FHEARN O=[N+]([O-])c1cccc(/C=N/c2ccc(I)cc2)c1[O-] ZINC000015162907 571164002 /nfs/dbraw/zinc/16/40/02/571164002.db2.gz MVGWZJYGXYMEQR-OVCLIPMQSA-N 0 0 368.130 3.656 50 30 FHEARN C#CCN1C(=O)S/C(=C\c2ccccc2OCc2ccccc2C#N)C1=O ZINC000004704875 571167070 /nfs/dbraw/zinc/16/70/70/571167070.db2.gz BFVCPWDUNWCJLQ-UNOMPAQXSA-N 0 0 374.421 3.807 50 30 FHEARN CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(C#N)cc1)O[C@H](C)C2 ZINC000012563090 571183153 /nfs/dbraw/zinc/18/31/53/571183153.db2.gz IDVAYSIKTOZOQG-ZIAGYGMSSA-N 0 0 365.433 3.719 50 30 FHEARN Cc1ccc(-n2c(SC[C@H](C#N)CCC#N)nnc2N2CCCC2)cc1 ZINC000012565411 571183974 /nfs/dbraw/zinc/18/39/74/571183974.db2.gz NIJBQGZLZZAXKB-INIZCTEOSA-N 0 0 366.494 3.712 50 30 FHEARN CC(O)=C1C(=O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc(F)cc1 ZINC000019087869 571184478 /nfs/dbraw/zinc/18/44/78/571184478.db2.gz AJEGYZVDGWBKKJ-MRXNPFEDSA-N 0 0 368.389 3.924 50 30 FHEARN C[C@@H]1/C(=N\O)C[C@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000138283803 571195067 /nfs/dbraw/zinc/19/50/67/571195067.db2.gz LFGUOKSONBHVJF-PVLCZGCNSA-N 0 0 370.365 3.745 50 30 FHEARN CCN(CCn1cccn1)C(=O)c1cccc(-c2cc(C)c(C#N)c(C)n2)c1 ZINC000584893764 571202246 /nfs/dbraw/zinc/20/22/46/571202246.db2.gz CNRIZUJJGHYGAH-UHFFFAOYSA-N 0 0 373.460 3.596 50 30 FHEARN COCC1(NC(=O)c2ccc(-c3cc(C)c(C#N)c(C)n3)cc2)CCCC1 ZINC000584894793 571202295 /nfs/dbraw/zinc/20/22/95/571202295.db2.gz MEUBHVQRPRPKFZ-UHFFFAOYSA-N 0 0 363.461 3.926 50 30 FHEARN N#Cc1ccc(OCC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000012620306 571204040 /nfs/dbraw/zinc/20/40/40/571204040.db2.gz YUCCNUKRUGOTRB-MRXNPFEDSA-N 0 0 358.850 3.944 50 30 FHEARN C[C@@H]1C[C@H](C)C[N@@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cccnc2)O3)C1 ZINC000013815755 571205276 /nfs/dbraw/zinc/20/52/76/571205276.db2.gz CFUSTWQYPPFZOG-YXWLDFQMSA-N 0 0 364.445 3.881 50 30 FHEARN Cc1nn(C)cc1C(=O)/C=C/c1ccc(COc2ccccc2[N+](=O)[O-])o1 ZINC000006527243 571207005 /nfs/dbraw/zinc/20/70/05/571207005.db2.gz KYVZMWZETXDWOX-MDZDMXLPSA-N 0 0 367.361 3.705 50 30 FHEARN C#CCN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O ZINC000033286651 571230078 /nfs/dbraw/zinc/23/00/78/571230078.db2.gz GMXFYARZCRVQQM-XNTDXEJSSA-N 0 0 354.343 3.524 50 30 FHEARN Cc1ccc(/C=N/N=C2\SCC(=O)N2Cc2ccc(F)cc2)c(C)c1 ZINC000033351221 571237017 /nfs/dbraw/zinc/23/70/17/571237017.db2.gz HANCFBNCQGTTLO-QLBZYLJCSA-N 0 0 355.438 3.908 50 30 FHEARN CCn1nccc1C(=O)/C=C/c1ccc(OC)c(Cn2cc(Cl)cn2)c1 ZINC000006634665 571238032 /nfs/dbraw/zinc/23/80/32/571238032.db2.gz HSWGWOPPERAJJN-GQCTYLIASA-N 0 0 370.840 3.706 50 30 FHEARN COc1cc(C=C2SC(Nc3ccccc3)=NC2=O)ccc1OCC#N ZINC000007165611 571262557 /nfs/dbraw/zinc/26/25/57/571262557.db2.gz URCNGHHTNFGKDI-ATVHPVEESA-N 0 0 365.414 3.680 50 30 FHEARN C#Cc1cccc(NC(=O)[C@@H](C)n2c(-c3cccs3)n[nH]c2=S)c1 ZINC000065474481 571263733 /nfs/dbraw/zinc/26/37/33/571263733.db2.gz ASLMRHWDKAAFBZ-LLVKDONJSA-N 0 0 354.460 3.850 50 30 FHEARN C[C@@H]1CCc2ccccc2N1C(=O)CON=C(N)Cc1ccccc1Cl ZINC000065511837 571264313 /nfs/dbraw/zinc/26/43/13/571264313.db2.gz VIRWPFIQWZZAHF-CQSZACIVSA-N 0 0 371.868 3.539 50 30 FHEARN COC(=O)c1cc(C(=O)C=C(OC)c2cc(C(C)=O)ccc2F)ccc1F ZINC000170622781 571269012 /nfs/dbraw/zinc/26/90/12/571269012.db2.gz LDHPTXQZSGZMTI-GRSHGNNSSA-N 0 0 374.339 3.824 50 30 FHEARN C[C@@H]1CCCN(c2ccccc2OS(=O)(=O)Cc2cccc(C#N)c2)C1 ZINC000170623183 571269170 /nfs/dbraw/zinc/26/91/70/571269170.db2.gz GAVNUXDURRUGLU-MRXNPFEDSA-N 0 0 370.474 3.703 50 30 FHEARN C=CCn1c(C)cc(C2=NNC(=NCc3ccc(OC)cc3)SC2)c1C ZINC000010217412 571270249 /nfs/dbraw/zinc/27/02/49/571270249.db2.gz FJAHIOBZVZFBBT-UHFFFAOYSA-N 0 0 368.506 3.896 50 30 FHEARN C[C@H](Sc1nncs1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000016865798 571273446 /nfs/dbraw/zinc/27/34/46/571273446.db2.gz LAACGQGFVOLQKK-VIFPVBQESA-N 0 0 364.521 3.859 50 30 FHEARN C[C@@H](Sc1nncs1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000016865797 571273483 /nfs/dbraw/zinc/27/34/83/571273483.db2.gz LAACGQGFVOLQKK-SECBINFHSA-N 0 0 364.521 3.859 50 30 FHEARN Fc1c(F)c(F)c(C=NNC(=S)NC2CCCCC2)c(F)c1F ZINC000252512248 571281824 /nfs/dbraw/zinc/28/18/24/571281824.db2.gz OLTBTXWECSRTSE-UHFFFAOYSA-N 0 0 351.344 3.513 50 30 FHEARN C=CCn1c([C@@H](C)CC)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 ZINC000252479374 571279907 /nfs/dbraw/zinc/27/99/07/571279907.db2.gz BDTXPSMQIOEQLT-LSDHHAIUSA-N 0 0 373.467 3.688 50 30 FHEARN Cc1c(N=C2C=C(C)C(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000252601771 571284559 /nfs/dbraw/zinc/28/45/59/571284559.db2.gz FCVCYXFFXXFOJA-UHFFFAOYSA-N 0 0 357.413 3.748 50 30 FHEARN COc1ccc(C(C)=NOCC(=O)Nc2cccc(C)c2C)c(OC)c1 ZINC000252615857 571285895 /nfs/dbraw/zinc/28/58/95/571285895.db2.gz JWEVQKYEPWRVND-UHFFFAOYSA-N 0 0 356.422 3.700 50 30 FHEARN COc1ccc(NN=C(C#N)C(=O)c2ccc(Br)cc2)cc1 ZINC000252620419 571287571 /nfs/dbraw/zinc/28/75/71/571287571.db2.gz MDRNRIQOKQWWNK-UHFFFAOYSA-N 0 0 358.195 3.632 50 30 FHEARN CNC(=S)NN=Cc1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000252626755 571289059 /nfs/dbraw/zinc/28/90/59/571289059.db2.gz REYUXAOUEHKDBX-UHFFFAOYSA-N 0 0 374.872 3.910 50 30 FHEARN N#Cc1c(N)n2nc(N)c(N=Nc3ccccc3)c2nc1-c1ccccc1 ZINC000252641337 571292114 /nfs/dbraw/zinc/29/21/14/571292114.db2.gz ZCDOMSOHPAWKJI-UHFFFAOYSA-N 0 0 354.377 3.848 50 30 FHEARN C=CCc1cccc(/C=N/[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)c1O ZINC000108215350 571311425 /nfs/dbraw/zinc/31/14/25/571311425.db2.gz FXKNVAGJWQKIKK-AFEQLLIESA-N 0 0 362.429 3.805 50 30 FHEARN S=C1N=NC(c2ccccc2)N1N=Cc1ccc(Br)s1 ZINC000253616958 571318867 /nfs/dbraw/zinc/31/88/67/571318867.db2.gz GVJUFZUTDHGHRG-UHFFFAOYSA-N 0 0 365.281 3.940 50 30 FHEARN N#Cc1cnn(-c2cc(Oc3ccccc3)nc(-c3ccccc3)n2)c1N ZINC000000632448 571319104 /nfs/dbraw/zinc/31/91/04/571319104.db2.gz BSEZIXWUTFGFIK-UHFFFAOYSA-N 0 0 354.373 3.575 50 30 FHEARN C[C@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2ccccc2C#N)C1 ZINC000091602384 571319157 /nfs/dbraw/zinc/31/91/57/571319157.db2.gz YHIYSKUWMZTUAH-JOCHJYFZSA-N 0 0 362.429 3.772 50 30 FHEARN CC#CC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(OC)c(C)c1 ZINC000011716988 571321947 /nfs/dbraw/zinc/32/19/47/571321947.db2.gz JBFWSJNVCXDGDR-QHCPKHFHSA-N 0 0 358.441 3.982 50 30 FHEARN Cc1nccn1CCN(C)C(=O)c1cccc(-c2nc(C)cc(C)c2C#N)c1 ZINC000426597244 571322154 /nfs/dbraw/zinc/32/21/54/571322154.db2.gz OVHNRFAZYBAPMW-UHFFFAOYSA-N 0 0 373.460 3.514 50 30 FHEARN CN(Cc1ccc(F)cc1)C(=O)c1cccc(CNc2ncccc2C#N)c1 ZINC000095468162 571330609 /nfs/dbraw/zinc/33/06/09/571330609.db2.gz BEJGDJXYEUHKBS-UHFFFAOYSA-N 0 0 374.419 3.977 50 30 FHEARN C[C@@H]1C[C@@H](C)C[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccncc2)O3)C1 ZINC000020533452 571330782 /nfs/dbraw/zinc/33/07/82/571330782.db2.gz AZCLLDBMUXTTLW-PZZZEZCFSA-N 0 0 364.445 3.881 50 30 FHEARN COCCNc1nc(Nc2ccccc2)c(C#N)c2c1COC(C)(C)C2 ZINC000020591133 571331527 /nfs/dbraw/zinc/33/15/27/571331527.db2.gz LHOKFAXIRJMYNO-UHFFFAOYSA-N 0 0 352.438 3.606 50 30 FHEARN O=C1c2ccc3c(c2O/C1=C\c1ccco1)CN(Cc1cccnc1)CO3 ZINC000020663713 571331661 /nfs/dbraw/zinc/33/16/61/571331661.db2.gz RBXZNQAPAAZHKZ-OCKHKDLRSA-N 0 0 360.369 3.643 50 30 FHEARN C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nncs1 ZINC000095953369 571332814 /nfs/dbraw/zinc/33/28/14/571332814.db2.gz UDTQOUABZUYLGQ-SNVBAGLBSA-N 0 0 350.494 3.663 50 30 FHEARN Cc1sc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)c(C#N)c1C ZINC000021362047 571334279 /nfs/dbraw/zinc/33/42/79/571334279.db2.gz FFYWTWAAGAMGTR-UHFFFAOYSA-N 0 0 361.854 3.649 50 30 FHEARN C[C@H](OC(=O)c1ccc(C#N)[nH]1)c1nc2cc(C(F)(F)F)ccc2n1C ZINC000162013786 571339118 /nfs/dbraw/zinc/33/91/18/571339118.db2.gz URKIHCBMRATTLM-VIFPVBQESA-N 0 0 362.311 3.710 50 30 FHEARN C[C@@H](OC(=O)c1ccc(C#N)[nH]1)c1nc2cc(C(F)(F)F)ccc2n1C ZINC000162013889 571339154 /nfs/dbraw/zinc/33/91/54/571339154.db2.gz URKIHCBMRATTLM-SECBINFHSA-N 0 0 362.311 3.710 50 30 FHEARN N#CCSc1nnc(-c2cccnc2)n1-c1cccc(C(F)(F)F)c1 ZINC000003492123 571350342 /nfs/dbraw/zinc/35/03/42/571350342.db2.gz JTAHOCYKFFCOMM-UHFFFAOYSA-N 0 0 361.352 3.964 50 30 FHEARN O=C1c2ccc3c(c2O/C1=C\c1cccnc1)[C@@H](c1ccco1)CC(=O)O3 ZINC000218008401 571351978 /nfs/dbraw/zinc/35/19/78/571351978.db2.gz UHWBXVOSEKBZBW-KDVQLTRESA-N 0 0 359.337 3.732 50 30 FHEARN Cc1cc(N)nc(S[C@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)n1 ZINC000031745904 571353447 /nfs/dbraw/zinc/35/34/47/571353447.db2.gz TTWIKDAERWFCGT-VVBXCHJUSA-N 0 0 368.506 3.728 50 30 FHEARN C=CCOc1ccccc1/C=C/[C@@]12NC(=O)CN1c1ccccc1C2(C)C ZINC000004000031 571353833 /nfs/dbraw/zinc/35/38/33/571353833.db2.gz FSNKQZMBDMMRJH-YAOQVBECSA-N 0 0 360.457 3.889 50 30 biogenic FHEARN N#Cc1cnc(C(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)c(Cl)c1 ZINC000334016864 945362380 /nfs/dbraw/zinc/36/23/80/945362380.db2.gz ZQWGVXBIPMZPBL-SFHVURJKSA-N 0 0 367.836 3.601 50 30 FHEARN CCN(CC)c1ccc(/C=C\C(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000097998966 941316761 /nfs/dbraw/zinc/31/67/61/941316761.db2.gz HOOPOKHZJSKZKB-XFFZJAGNSA-N 0 0 350.418 3.760 50 30 FHEARN O=[N+]([O-])c1cc(C=[NH+][N-]c2nncc3ccccc32)ccc1N1CCCC1 ZINC000263627105 942080949 /nfs/dbraw/zinc/08/09/49/942080949.db2.gz NUNKRXIDYDCIAS-UHFFFAOYSA-N 0 0 362.393 3.584 50 30 FHEARN N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCCCO2 ZINC000329776947 944244426 /nfs/dbraw/zinc/24/44/26/944244426.db2.gz OOCIQCRINPZEIG-RTBURBONSA-N 0 0 362.429 3.760 50 30 FHEARN N#C[C@@H]1N(C(=O)c2[nH]c3ccccc3c2Cl)CCC[C@@]12CCCCO2 ZINC000329845778 944307939 /nfs/dbraw/zinc/30/79/39/944307939.db2.gz LYTZUDPTBCTCSY-KXBFYZLASA-N 0 0 357.841 3.889 50 30 FHEARN Cn1nccc1N1CCC[C@H](NC(=O)CSc2ccc3c(c2)CCC3)C1 ZINC000329943298 944309934 /nfs/dbraw/zinc/30/99/34/944309934.db2.gz HQSAUEMXNXXMEE-KRWDZBQOSA-N 0 0 370.522 3.626 50 30 FHEARN CC(C)n1ncc2c1C[C@@H](NC(=O)c1cc(=O)[nH]c3ccc(F)cc31)CC2 ZINC000330169446 944342005 /nfs/dbraw/zinc/34/20/05/944342005.db2.gz WQPNKRXSJKQVSS-AWEZNQCLSA-N 0 0 368.412 3.719 50 30 FHEARN CO[C@@H]1CCN(C(=O)N[C@H](C)COc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000331266193 944402278 /nfs/dbraw/zinc/40/22/78/944402278.db2.gz IBHWXCQSGALCBA-MGPQQGTHSA-N 0 0 374.403 3.886 50 30 FHEARN CC1=C(C(=O)N2CCCCC2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 ZINC000001125223 219375562 /nfs/dbraw/zinc/37/55/62/219375562.db2.gz UJPKCEBZOLMXRZ-LJQANCHMSA-N 0 0 356.491 3.729 50 30 FHEARN O=S(=O)(N/N=C/c1ccccc1C(F)(F)F)c1ccc(Cl)cc1 ZINC000001187453 219387040 /nfs/dbraw/zinc/38/70/40/219387040.db2.gz QFRDUGNIXDGRQS-DJKKODMXSA-N 0 0 362.760 3.671 50 30 FHEARN C=CCn1c(SCc2noc(C3CC3)n2)nnc1-c1ccc(OC)cc1 ZINC000052889342 203796896 /nfs/dbraw/zinc/79/68/96/203796896.db2.gz QBEZLHFBTPRXLP-UHFFFAOYSA-N 0 0 369.450 3.692 50 30 FHEARN C=CCOc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1 ZINC000004498578 203827248 /nfs/dbraw/zinc/82/72/48/203827248.db2.gz FBSSWHXMEYFXOF-JXAWBTAJSA-N 0 0 356.491 3.984 50 30 FHEARN C=CCn1cnc2c(c3nc4ccccc4nc3n2-c2cccc(C)c2)c1=O ZINC000004838549 203828859 /nfs/dbraw/zinc/82/88/59/203828859.db2.gz HQWYVGQNWMHLMT-UHFFFAOYSA-N 0 0 367.412 3.778 50 30 FHEARN C=CC/N=c1/sc2c(n1CC(=O)N(c1ccccc1)C(C)C)CCC2 ZINC000102265575 203829477 /nfs/dbraw/zinc/82/94/77/203829477.db2.gz XVPZQPLADXZDOY-QZQOTICOSA-N 0 0 355.507 3.567 50 30 FHEARN C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(Cl)c3F)cc2C1=O ZINC000008015800 203850447 /nfs/dbraw/zinc/85/04/47/203850447.db2.gz XIAZAEWXCCYYMM-UHFFFAOYSA-N 0 0 358.756 3.513 50 30 FHEARN C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)C1CC1 ZINC000012408292 203853982 /nfs/dbraw/zinc/85/39/82/203853982.db2.gz DKALLRNLJUOADI-UHFFFAOYSA-N 0 0 372.490 3.781 50 30 FHEARN CCOC(=O)C1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 ZINC000000759576 203859405 /nfs/dbraw/zinc/85/94/05/203859405.db2.gz OWOZYFPKPPMBSV-UHFFFAOYSA-N 0 0 361.441 3.502 50 30 FHEARN Cc1nc(SCC(=O)c2cc3ccccc3oc2=O)c(C#N)c(C)c1C ZINC000000874796 203960728 /nfs/dbraw/zinc/96/07/28/203960728.db2.gz HYEKKABBMOREFW-UHFFFAOYSA-N 0 0 364.426 3.960 50 30 FHEARN O=C1CCCC2=Nc3ncnn3[C@@H](c3ccc(OCc4ccccc4)cc3)C12 ZINC000000950595 203966142 /nfs/dbraw/zinc/96/61/42/203966142.db2.gz BGOOXLMVVWIKRI-NRFANRHFSA-N 0 0 372.428 3.879 50 30 FHEARN Cn1cccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000001303181 203998388 /nfs/dbraw/zinc/99/83/88/203998388.db2.gz CNLDMALHCJNTIR-CAOOACKPSA-N 0 0 352.250 3.761 50 30 FHEARN CC(C)(C)c1ccc(-c2nc(SCC(N)=O)c(C#N)c3c2CCC3)cc1 ZINC000001384191 204003026 /nfs/dbraw/zinc/00/30/26/204003026.db2.gz BXRWXJCDFZOJSZ-UHFFFAOYSA-N 0 0 365.502 3.984 50 30 FHEARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@@H]2c2ccc(OC(F)F)cc2)C1 ZINC000001460555 204008572 /nfs/dbraw/zinc/00/85/72/204008572.db2.gz MMEFKIBXRKWHSL-OAHLLOKOSA-N 0 0 360.364 3.538 50 30 FHEARN CCOc1cc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)ccc1O ZINC000001473715 204009037 /nfs/dbraw/zinc/00/90/37/204009037.db2.gz HSZJUIKSZCWQCN-VXLYETTFSA-N 0 0 374.853 3.874 50 30 FHEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1C ZINC000002495331 204042690 /nfs/dbraw/zinc/04/26/90/204042690.db2.gz IWAHYFTWXZOYGI-QGZVFWFLSA-N 0 0 369.461 3.794 50 30 FHEARN COc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 ZINC000001959790 204023562 /nfs/dbraw/zinc/02/35/62/204023562.db2.gz NDXHYCNMEAHEGY-LBPRGKRZSA-N 0 0 356.447 3.771 50 30 FHEARN Cc1cc(C)nc(N=C(NC(=O)c2ccc(F)cc2)Nc2ccccc2)n1 ZINC000002290697 204033370 /nfs/dbraw/zinc/03/33/70/204033370.db2.gz MDBUMFDUFJMGCB-UHFFFAOYSA-N 0 0 363.396 3.762 50 30 FHEARN O=C(C=CNc1ccccc1NC=CC(=O)C(F)(F)F)C(F)(F)F ZINC000003190953 204080391 /nfs/dbraw/zinc/08/03/91/204080391.db2.gz OPEFORDWIKGFNC-KQQUZDAGSA-N 0 0 352.234 3.801 50 30 FHEARN N#Cc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 ZINC000003222607 204083945 /nfs/dbraw/zinc/08/39/45/204083945.db2.gz ZNWYILASFSVMKC-UHFFFAOYSA-N 0 0 374.469 3.825 50 30 FHEARN CCOc1ccc(/C=C2/S/C(=N\c3ccc(O)cc3)NC2=O)cc1OC ZINC000002594580 204045211 /nfs/dbraw/zinc/04/52/11/204045211.db2.gz XSMRCXSWNVUHRK-GZTJUZNOSA-N 0 0 370.430 3.691 50 30 FHEARN C[C@@H]1CCc2c(C(=O)OCC(=O)Nc3ccccc3C#N)csc2C1 ZINC000002636641 204047490 /nfs/dbraw/zinc/04/74/90/204047490.db2.gz UUMQKHJPKFUKLG-GFCCVEGCSA-N 0 0 354.431 3.540 50 30 FHEARN Cn1nc(C(=O)Nc2sc3c(c2C#N)CCC3)c(Cl)c1C(F)(F)F ZINC000002776731 204055503 /nfs/dbraw/zinc/05/55/03/204055503.db2.gz OILHSZJQUNAHGY-UHFFFAOYSA-N 0 0 374.775 3.766 50 30 FHEARN N#Cc1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@@H]2C(F)F ZINC000002784666 204056623 /nfs/dbraw/zinc/05/66/23/204056623.db2.gz KISWGZAJHNTKJQ-VXGBXAGGSA-N 0 0 353.170 3.880 50 30 FHEARN N#Cc1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@@H]2C(F)F ZINC000002784667 204056980 /nfs/dbraw/zinc/05/69/80/204056980.db2.gz KISWGZAJHNTKJQ-NWDGAFQWSA-N 0 0 353.170 3.880 50 30 FHEARN CCOc1ccc(S(=O)(=O)/N=C(/c2ccccc2)N(CC)CC)cc1 ZINC000002840338 204061504 /nfs/dbraw/zinc/06/15/04/204061504.db2.gz FJCGUYFSGDSSFT-VXPUYCOJSA-N 0 0 360.479 3.563 50 30 FHEARN COc1cccc2cc(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)c(=O)oc21 ZINC000003911106 204115537 /nfs/dbraw/zinc/11/55/37/204115537.db2.gz RHLONGAWQSGSOH-CMDGGOBGSA-N 0 0 351.314 3.606 50 30 FHEARN Cc1[nH]nc2c1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004115417 204121958 /nfs/dbraw/zinc/12/19/58/204121958.db2.gz MJOKNBNGWWCBCZ-INIZCTEOSA-N 0 0 352.394 3.827 50 30 FHEARN Cc1nnc(C)n1/N=C/c1ccc(N(CC(C)C)CC(C)C)c([N+](=O)[O-])c1 ZINC000004182192 204125736 /nfs/dbraw/zinc/12/57/36/204125736.db2.gz QGFNTLKGUZDJFL-KEBDBYFISA-N 0 0 372.473 3.804 50 30 FHEARN C=CCSC1=N/C(=C\c2ccccc2OCC(=O)OCC)C(=O)S1 ZINC000003460623 204102673 /nfs/dbraw/zinc/10/26/73/204102673.db2.gz DAAMYFVEMOUZSO-RAXLEYEMSA-N 0 0 363.460 3.518 50 30 FHEARN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc4c(c3)OCCO4)sc2C1 ZINC000004194624 204127891 /nfs/dbraw/zinc/12/78/91/204127891.db2.gz OCWHYPVAFUTQRI-NSHDSACASA-N 0 0 354.431 3.768 50 30 FHEARN N#CCc1ccc(NC(=O)Cn2c3ccccc3nc2-c2cncs2)cc1 ZINC000004624397 204150215 /nfs/dbraw/zinc/15/02/15/204150215.db2.gz MNWFGDNERWPTAP-UHFFFAOYSA-N 0 0 373.441 3.865 50 30 FHEARN CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Br)cc2)NC(=O)N1 ZINC000004680488 204154545 /nfs/dbraw/zinc/15/45/45/204154545.db2.gz BXRIRJLDXLHQBQ-INIZCTEOSA-N 0 0 371.234 3.960 50 30 FHEARN COc1cc(CN=Nc2ncnc3sc(C)c(C)c32)cc(OC)c1OC ZINC000004679636 204154631 /nfs/dbraw/zinc/15/46/31/204154631.db2.gz RSNQWMDHXXEHPQ-ODCIPOBUSA-N 0 0 372.450 3.780 50 30 FHEARN COc1cccc(/C=N\c2ccccc2N2C(=O)c3ccccc3C2=O)c1O ZINC000004709283 204157563 /nfs/dbraw/zinc/15/75/63/204157563.db2.gz SMEBLRRFUMJNSC-QRVIBDJDSA-N 0 0 372.380 3.952 50 30 FHEARN Cc1cc2nc3n(c2cc1C)C(=O)/C(=N\Nc1ccc([N+](=O)[O-])cc1)S3 ZINC000004791696 204163824 /nfs/dbraw/zinc/16/38/24/204163824.db2.gz CHQNNWSQWPGMDR-HMMYKYKNSA-N 0 0 367.390 3.733 50 30 FHEARN Cn1c(=O)c2c3c(sc2nc1N/N=C/c1ccc(Cl)cc1)CCCC3 ZINC000004793706 204163842 /nfs/dbraw/zinc/16/38/42/204163842.db2.gz OYBRESUVFBPSIM-KEBDBYFISA-N 0 0 372.881 3.973 50 30 FHEARN N#CCc1ccc(NC(=O)c2ccccc2I)cc1 ZINC000004820289 204166423 /nfs/dbraw/zinc/16/64/23/204166423.db2.gz QHPLHJDKNRSUOV-UHFFFAOYSA-N 0 0 362.170 3.610 50 30 FHEARN COc1ccc(/C=C/c2nc(C#N)c(NCc3ccco3)o2)cc1OC ZINC000004838024 204168426 /nfs/dbraw/zinc/16/84/26/204168426.db2.gz ZKXIQAVPNHEDBO-SOFGYWHQSA-N 0 0 351.362 3.939 50 30 FHEARN CCOc1cc(/C=C2\C(=O)ON=C2C)cc(Br)c1OCC ZINC000004350015 204133920 /nfs/dbraw/zinc/13/39/20/204133920.db2.gz IOCDDIXQYPIUNC-WDZFZDKYSA-N 0 0 354.200 3.563 50 30 FHEARN CSc1nc(N)nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)c1C#N ZINC000004325945 204134151 /nfs/dbraw/zinc/13/41/51/204134151.db2.gz GOJAHAYZPGNOMU-UHFFFAOYSA-N 0 0 374.535 3.530 50 30 FHEARN N=C(NOC(=O)C=Cc1ccc(OC(F)(F)F)cc1)c1cccs1 ZINC000004390583 204137017 /nfs/dbraw/zinc/13/70/17/204137017.db2.gz MGVLTZBCCTWBQQ-VMPITWQZSA-N 0 0 356.325 3.524 50 30 FHEARN CC(C)(C)c1ccc(OCCOc2ccc(/C=N/NC(N)=S)cc2)cc1 ZINC000004511055 204142757 /nfs/dbraw/zinc/14/27/57/204142757.db2.gz ATFDOYKVOIKCOH-HYARGMPZSA-N 0 0 371.506 3.609 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(C)c1 ZINC000004529924 204144635 /nfs/dbraw/zinc/14/46/35/204144635.db2.gz MRRJGUWLVUNQAR-IBGZPJMESA-N 0 0 369.461 3.781 50 30 FHEARN O=C(/C=C/c1cccc(Br)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000005335715 204203465 /nfs/dbraw/zinc/20/34/65/204203465.db2.gz BUUGICGELLBDSX-GQCTYLIASA-N 0 0 358.191 3.676 50 30 FHEARN CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000005445524 204209653 /nfs/dbraw/zinc/20/96/53/204209653.db2.gz HPXDBAHIKCHFLK-OAHLLOKOSA-N 0 0 372.218 3.657 50 30 FHEARN COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OC)c(OC)c3)S2)cc1 ZINC000005529738 204213665 /nfs/dbraw/zinc/21/36/65/204213665.db2.gz PNJRPUVGJHDEPC-BOPFTXTBSA-N 0 0 370.430 3.604 50 30 FHEARN COc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1 ZINC000004914512 204175808 /nfs/dbraw/zinc/17/58/08/204175808.db2.gz RZLMPRHWZONEBB-MAUKXSAKSA-N 0 0 365.404 3.839 50 30 FHEARN CCOC(=O)N1CCC(N=Nc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000004929002 204177056 /nfs/dbraw/zinc/17/70/56/204177056.db2.gz GJNYMKXUOXFWKA-UHFFFAOYSA-N 0 0 364.755 3.774 50 30 FHEARN N=C(NOC(=O)c1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000004936891 204178554 /nfs/dbraw/zinc/17/85/54/204178554.db2.gz XZGQGIQFLVUWGO-UHFFFAOYSA-N 0 0 353.603 3.580 50 30 FHEARN Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1ccccc1[N+](=O)[O-] ZINC000005016661 204185141 /nfs/dbraw/zinc/18/51/41/204185141.db2.gz FXUDGULFXMCRBG-VAWYXSNFSA-N 0 0 360.373 3.939 50 30 FHEARN Cc1c(/C=N/n2cnnc2)c2ccccc2n1CCOc1cccc(C)c1 ZINC000005102286 204191396 /nfs/dbraw/zinc/19/13/96/204191396.db2.gz QTBOWNDRFDSYJZ-ZMOGYAJESA-N 0 0 359.433 3.811 50 30 FHEARN C#CCOc1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000005128233 204193306 /nfs/dbraw/zinc/19/33/06/204193306.db2.gz CDYSOBRGBZZSFD-VZUCSPMQSA-N 0 0 351.358 3.902 50 30 FHEARN COc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)ccc1O ZINC000005186570 204195253 /nfs/dbraw/zinc/19/52/53/204195253.db2.gz XHVMZEWCJGJAAJ-YVLHZVERSA-N 0 0 354.431 3.909 50 30 FHEARN Cc1nc(S[C@H](C)C(=O)N2CCc3ccccc32)c(C#N)c(C)c1C ZINC000005172517 204195928 /nfs/dbraw/zinc/19/59/28/204195928.db2.gz LTEYOGAKMTZFOL-OAHLLOKOSA-N 0 0 351.475 3.948 50 30 FHEARN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)cc1 ZINC000005245801 204199750 /nfs/dbraw/zinc/19/97/50/204199750.db2.gz YXWSFIGAPDDQRB-IIBYNOLFSA-N 0 0 372.428 3.702 50 30 FHEARN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)cc1 ZINC000005245797 204200208 /nfs/dbraw/zinc/20/02/08/204200208.db2.gz YXWSFIGAPDDQRB-KKSFZXQISA-N 0 0 372.428 3.702 50 30 FHEARN CCOc1ccc(C=NN2C(=S)N=NC2c2ccc(F)cc2)cc1OC ZINC000005967593 204232460 /nfs/dbraw/zinc/23/24/60/204232460.db2.gz VFCOORWQLBMFQY-RGVLZGJSSA-N 0 0 372.425 3.662 50 30 FHEARN COc1ccc(C=NN2C(=S)N=NC2c2cccc(Cl)c2)cc1OC ZINC000006007193 204233718 /nfs/dbraw/zinc/23/37/18/204233718.db2.gz VZZBGONSWWXJER-VXLYETTFSA-N 0 0 374.853 3.787 50 30 FHEARN Cc1c([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc4ccccc4n32)cnn1C ZINC000006275649 204243765 /nfs/dbraw/zinc/24/37/65/204243765.db2.gz PAUPBXGVXWRNPT-LJQANCHMSA-N 0 0 361.449 3.736 50 30 FHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@H](C)C(=O)c1c[nH]c2ccccc21 ZINC000006466245 204249845 /nfs/dbraw/zinc/24/98/45/204249845.db2.gz MAJHSNBKLUMKGT-ZIAGYGMSSA-N 0 0 362.385 3.621 50 30 FHEARN N#Cc1ccc(COC(=O)c2nccnc2-c2nc3ccccc3s2)cc1 ZINC000006585138 204255073 /nfs/dbraw/zinc/25/50/73/204255073.db2.gz MXHSVOLTFNNRIE-UHFFFAOYSA-N 0 0 372.409 3.982 50 30 FHEARN CCOc1ccc2[nH]c(S[C@H](C)C(=O)Nc3cccc(C#N)c3)nc2c1 ZINC000006589785 204255245 /nfs/dbraw/zinc/25/52/45/204255245.db2.gz CENCWRZNHWMTAP-GFCCVEGCSA-N 0 0 366.446 3.953 50 30 FHEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(F)cc2)cc1 ZINC000006819610 204273317 /nfs/dbraw/zinc/27/33/17/204273317.db2.gz AJVWSJMDLJFZDW-MAUKXSAKSA-N 0 0 365.404 3.839 50 30 FHEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(F)cc2)cc1 ZINC000006819608 204273779 /nfs/dbraw/zinc/27/37/79/204273779.db2.gz AJVWSJMDLJFZDW-CRAIPNDOSA-N 0 0 365.404 3.839 50 30 FHEARN C[C@@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1cccc(C#N)c1 ZINC000007689341 204303652 /nfs/dbraw/zinc/30/36/52/204303652.db2.gz RFAFYBWRIBQTDH-LBPRGKRZSA-N 0 0 357.460 3.550 50 30 FHEARN C[C@@H](C(=O)Nc1ccccc1C#N)N(C)Cc1nc2ccccc2s1 ZINC000007689691 204303689 /nfs/dbraw/zinc/30/36/89/204303689.db2.gz JDCHUUPMBRTOBH-ZDUSSCGKSA-N 0 0 350.447 3.627 50 30 FHEARN CC(=O)NCc1ccc(C(=O)CSc2nnc(C3CC3)n2C2CC2)cc1 ZINC000007905344 204310587 /nfs/dbraw/zinc/31/05/87/204310587.db2.gz UIQNFDJCLWINMO-UHFFFAOYSA-N 0 0 370.478 3.942 50 30 FHEARN Cc1c(C(=O)Nc2ccccc2C#N)nnn1-c1cc(C)ccc1Cl ZINC000008022386 204314937 /nfs/dbraw/zinc/31/49/37/204314937.db2.gz JQXNSQJBRLTJQX-UHFFFAOYSA-N 0 0 351.797 3.662 50 30 FHEARN CCOCCCNc1oc(/C=C/c2ccc(OC)c(OC)c2)nc1C#N ZINC000008253217 204323212 /nfs/dbraw/zinc/32/32/12/204323212.db2.gz YSMNMRHXNSBTMM-VQHVLOKHSA-N 0 0 357.410 3.572 50 30 FHEARN C[C@@H](c1nc2ccccc2s1)N(C)C(=O)COc1ccc(C#N)cc1 ZINC000008291231 204324744 /nfs/dbraw/zinc/32/47/44/204324744.db2.gz XFUNNJHVJKAYHH-ZDUSSCGKSA-N 0 0 351.431 3.766 50 30 FHEARN C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)C1=C(CCCC1=O)N2 ZINC000008565367 204334977 /nfs/dbraw/zinc/33/49/77/204334977.db2.gz SLFUHXUTAAWJDA-OAHLLOKOSA-N 0 0 365.458 3.613 50 30 FHEARN COc1ccc(NC=C2C(=O)c3ccccc3O[C@@]2(O)C(F)(F)F)cc1 ZINC000009060756 204353093 /nfs/dbraw/zinc/35/30/93/204353093.db2.gz LABLDYRDMJRUTP-OOXMNIKJSA-N 0 0 365.307 3.517 50 30 FHEARN O=C1C[C@@H](c2ccco2)CC2=Nc3ncnn3[C@@H](c3ccc(Cl)cc3)C12 ZINC000009088664 204354432 /nfs/dbraw/zinc/35/44/32/204354432.db2.gz JQRGZMDLINPLRE-SGTLLEGYSA-N 0 0 366.808 3.940 50 30 FHEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccncc2)C1=O ZINC000009434910 204368005 /nfs/dbraw/zinc/36/80/05/204368005.db2.gz RVOQQAQONXMWLP-QINSGFPZSA-N 0 0 352.415 3.625 50 30 FHEARN CCOc1ccccc1NC(=O)COc1c(Cl)cc(C#N)cc1OC ZINC000009455940 204368136 /nfs/dbraw/zinc/36/81/36/204368136.db2.gz AUKNCSYXUHDANH-UHFFFAOYSA-N 0 0 360.797 3.636 50 30 FHEARN Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)c2cccc3ccccc32)n1 ZINC000009483684 204371156 /nfs/dbraw/zinc/37/11/56/204371156.db2.gz FJFLYFMSTNKZKA-UHFFFAOYSA-N 0 0 368.400 3.556 50 30 FHEARN N#CCOc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O ZINC000009547390 204373776 /nfs/dbraw/zinc/37/37/76/204373776.db2.gz PHGPACFWZIFRLX-IDUWFGFVSA-N 0 0 369.760 3.725 50 30 FHEARN C[C@@H](Sc1nc2ccccc2n1CCC#N)C(=O)N1CCC(C)CC1 ZINC000008709022 204340336 /nfs/dbraw/zinc/34/03/36/204340336.db2.gz VOHHPOFUNIKUFO-OAHLLOKOSA-N 0 0 356.495 3.689 50 30 FHEARN COc1ccc(-c2csc3ncn(C[C@H](C#N)CCC#N)c(=O)c23)cc1 ZINC000012921995 204509464 /nfs/dbraw/zinc/50/94/64/204509464.db2.gz PPFXOQINJWHNHN-ZDUSSCGKSA-N 0 0 364.430 3.577 50 30 FHEARN CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccccc2F)C2=C(CCCC2=O)N1 ZINC000020028898 204713728 /nfs/dbraw/zinc/71/37/28/204713728.db2.gz JLDALSCATHGLCF-HXUWFJFHSA-N 0 0 368.452 3.806 50 30 FHEARN N#CC[C@@H](CNc1ncc(C(F)(F)F)cc1Cl)OC(=O)c1ccco1 ZINC000020404955 204722982 /nfs/dbraw/zinc/72/29/82/204722982.db2.gz GEQZFCBKMPMODE-JTQLQIEISA-N 0 0 373.718 3.898 50 30 FHEARN N#Cc1cnc(SCC(=O)c2ccc(C3CCCCC3)cc2)nc1N ZINC000023105964 204795886 /nfs/dbraw/zinc/79/58/86/204795886.db2.gz UKPZWNAYDFJEOR-UHFFFAOYSA-N 0 0 352.463 3.953 50 30 FHEARN C[C@@H](Oc1cccc(Cl)c1)C(=O)OCc1cn2ccccc2c1C#N ZINC000032898788 204943611 /nfs/dbraw/zinc/94/36/11/204943611.db2.gz MPCRGGPHQZCEJD-CYBMUJFWSA-N 0 0 354.793 3.975 50 30 FHEARN COc1cc(CCC(=O)OCc2cn3ccccc3c2C#N)cc(OC)c1 ZINC000032899056 204945089 /nfs/dbraw/zinc/94/50/89/204945089.db2.gz ISTJTXSRRSMCBN-UHFFFAOYSA-N 0 0 364.401 3.504 50 30 FHEARN Cc1cc(C)n(Cc2ccc(C(=O)Nc3sc4c(c3C#N)CCC4)o2)n1 ZINC000036611028 205016257 /nfs/dbraw/zinc/01/62/57/205016257.db2.gz XWUURIXBDUSSQP-UHFFFAOYSA-N 0 0 366.446 3.815 50 30 FHEARN COc1ccccc1/C=C1/Oc2c(c(C)cc([O-])c2C[NH+]2CCCC2)C1=O ZINC000037857502 205033707 /nfs/dbraw/zinc/03/37/07/205033707.db2.gz GKKHQRIMMUTCDA-XDHOZWIPSA-N 0 0 365.429 3.921 50 30 FHEARN C[C@](O)(CNC(=O)c1ccc(C#N)cc1)c1ccc(-c2ccccc2)cc1 ZINC000075155381 205035079 /nfs/dbraw/zinc/03/50/79/205035079.db2.gz DMXBGANTUHERON-QHCPKHFHSA-N 0 0 356.425 3.863 50 30 FHEARN N#Cc1ccccc1NC(=S)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000044054043 205107046 /nfs/dbraw/zinc/10/70/46/205107046.db2.gz UFLCANHVGQKQCC-KRWDZBQOSA-N 0 0 367.474 3.642 50 30 FHEARN Cc1cc(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)c(C)o1 ZINC000085474060 205172026 /nfs/dbraw/zinc/17/20/26/205172026.db2.gz YOABOGAMXPKOTI-UHFFFAOYSA-N 0 0 351.324 3.727 50 30 FHEARN COc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2ccc(C#N)cc2)c(OC)c1 ZINC000049546045 205173686 /nfs/dbraw/zinc/17/36/86/205173686.db2.gz KNGLWPFMPRHMCE-MRXNPFEDSA-N 0 0 374.400 3.885 50 30 FHEARN COc1ccccc1-c1nc(NC(=O)C2=NO[C@H](c3ccccc3)C2)n[nH]1 ZINC000055248178 205211587 /nfs/dbraw/zinc/21/15/87/205211587.db2.gz HYSDAHIFSBXQTL-INIZCTEOSA-N 0 0 363.377 3.586 50 30 FHEARN Cc1nc(NC(=O)C(=O)c2c(C)[nH]c3ccccc32)sc1SCC#N ZINC000053650683 205195269 /nfs/dbraw/zinc/19/52/69/205195269.db2.gz KTQLRQHNVJARCG-UHFFFAOYSA-N 0 0 370.459 3.678 50 30 FHEARN Cc1noc(C2CCN(C(=O)c3ccccc3-c3ccccc3C#N)CC2)n1 ZINC000054122777 205197730 /nfs/dbraw/zinc/19/77/30/205197730.db2.gz AITNZNVDLBYVLK-UHFFFAOYSA-N 0 0 372.428 3.937 50 30 FHEARN Cc1nc(C)c([C@@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)s1 ZINC000056022375 205227318 /nfs/dbraw/zinc/22/73/18/205227318.db2.gz UNTIOCQQGLGHEC-LLVKDONJSA-N 0 0 354.435 3.815 50 30 FHEARN CCN(C(C)=O)c1nc(/C=C2\COc3c(C)cc(C)cc3C2=O)cs1 ZINC000058178562 205255807 /nfs/dbraw/zinc/25/58/07/205255807.db2.gz JNLDRPYPWIQGLU-RIYZIHGNSA-N 0 0 356.447 3.791 50 30 FHEARN COc1ccc([C@H]2C(=C(O)C3CC3)C(=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000058306433 205270315 /nfs/dbraw/zinc/27/03/15/205270315.db2.gz AGZWLIQHGVBXBE-IBGZPJMESA-N 0 0 363.413 3.883 50 30 FHEARN N#Cc1ccc(NCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000058357589 205272563 /nfs/dbraw/zinc/27/25/63/205272563.db2.gz GBBUEILQRAYFOH-QGZVFWFLSA-N 0 0 362.458 3.944 50 30 FHEARN N#Cc1cccc(NC(=O)[C@@H]2CCC[C@H](C(=O)Nc3cccc(C#N)c3)C2)c1 ZINC000060135435 205284405 /nfs/dbraw/zinc/28/44/05/205284405.db2.gz MISNYTVNHMNZKT-HDICACEKSA-N 0 0 372.428 3.814 50 30 FHEARN N#Cc1cccc(NC(=O)[C@H]2CCC[C@H](C(=O)Nc3cccc(C#N)c3)C2)c1 ZINC000060135437 205284443 /nfs/dbraw/zinc/28/44/43/205284443.db2.gz MISNYTVNHMNZKT-ROUUACIJSA-N 0 0 372.428 3.814 50 30 FHEARN C=CCn1c2nc3ccccc3nc2c(C#N)c1NC(=O)c1ccccc1 ZINC000003169520 205291518 /nfs/dbraw/zinc/29/15/18/205291518.db2.gz BSGMDKVANZZYAC-UHFFFAOYSA-N 0 0 353.385 3.894 50 30 FHEARN CCN(C(C)=O)c1nc(/C=C2/COc3c(C)ccc(C)c3C2=O)cs1 ZINC000063411893 205292191 /nfs/dbraw/zinc/29/21/91/205292191.db2.gz RSLMOFXQOVHOFJ-ZSOIEALJSA-N 0 0 356.447 3.791 50 30 FHEARN Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2cccc(C#N)c2)c1 ZINC000064837560 205306000 /nfs/dbraw/zinc/30/60/00/205306000.db2.gz UXKDDCOUJOZDSB-UHFFFAOYSA-N 0 0 367.430 3.939 50 30 FHEARN Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccc(C#N)cc2)cc1 ZINC000064837745 205306663 /nfs/dbraw/zinc/30/66/63/205306663.db2.gz DZVSXSFRFJODKZ-UHFFFAOYSA-N 0 0 353.403 3.631 50 30 FHEARN CN(CCc1noc(-c2ccccc2Cl)n1)C(=O)c1ccc(C#N)cc1 ZINC000064840840 205306898 /nfs/dbraw/zinc/30/68/98/205306898.db2.gz UWACREGJDDQSHV-UHFFFAOYSA-N 0 0 366.808 3.576 50 30 FHEARN Cc1cccc([C@]2(O)c3ccccc3N(Cc3ccccc3C#N)C2=O)c1 ZINC000065155001 205320997 /nfs/dbraw/zinc/32/09/97/205320997.db2.gz HUMVOCWNOGLXMY-QHCPKHFHSA-N 0 0 354.409 3.649 50 30 FHEARN Cc1nn(CCO)cc1-c1cc(-c2ccc3ccccc3c2)nc(N)c1C#N ZINC000067691698 205383385 /nfs/dbraw/zinc/38/33/85/205383385.db2.gz HKINOVGHIFIXDQ-UHFFFAOYSA-N 0 0 369.428 3.520 50 30 FHEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@@H]2c1cc(Cl)ccc1O ZINC000018195907 220227824 /nfs/dbraw/zinc/22/78/24/220227824.db2.gz PAWHINORFNPCMC-CYBMUJFWSA-N 0 0 359.813 3.675 50 30 FHEARN O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)c1cc3c(cc1N2)OCO3 ZINC000018197409 220228301 /nfs/dbraw/zinc/22/83/01/220228301.db2.gz ZHINEQCENCJWFK-FQEVSTJZSA-N 0 0 363.369 3.709 50 30 FHEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ncc[nH]1)C1=C(CCCC1=O)N2 ZINC000018197027 220228305 /nfs/dbraw/zinc/22/83/05/220228305.db2.gz XCSKQFQZPJEAKX-IBGZPJMESA-N 0 0 359.433 3.777 50 30 FHEARN O=C(/C=C/c1ccc2c(c1)OCO2)N1CCS/C1=N/Cc1ccccc1 ZINC000096585683 205879455 /nfs/dbraw/zinc/87/94/55/205879455.db2.gz UPUYMYMPUUJINC-GDCASUPGSA-N 0 0 366.442 3.560 50 30 FHEARN CCCC(Nc1ccc(OC)cc1)=C1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000100162990 205940222 /nfs/dbraw/zinc/94/02/22/205940222.db2.gz DOVKOPOVJWJYHP-WBWKYDSYSA-N 0 0 373.449 3.519 50 30 FHEARN CCCC/N=C1\S/C(=C2/c3ccccc3NC2=O)C(=O)N1CCCC ZINC000101012924 205951875 /nfs/dbraw/zinc/95/18/75/205951875.db2.gz KOZNVXVMVNCJDZ-UKTKCZHSSA-N 0 0 357.479 3.881 50 30 FHEARN CN1C(=O)/C(=C\C2=Cc3ccccc3OC2)S/C1=N/c1nccs1 ZINC000101498535 205963156 /nfs/dbraw/zinc/96/31/56/205963156.db2.gz DXXRXNIMGVBNFY-DJGRXSLVSA-N 0 0 355.444 3.696 50 30 FHEARN Cc1ccc(N2C(=O)C[C@H](C(=O)N[C@H](C)CC#N)[C@H]2c2cccs2)cc1 ZINC000106531747 206015611 /nfs/dbraw/zinc/01/56/11/206015611.db2.gz WERIOUVQEWNHMY-ALKREAHSSA-N 0 0 367.474 3.569 50 30 FHEARN N#CCOc1ccccc1C(=O)Nc1cnn(-c2ccccc2Cl)c1 ZINC000106671203 206015705 /nfs/dbraw/zinc/01/57/05/206015705.db2.gz YUYJCVASRRJBOT-UHFFFAOYSA-N 0 0 352.781 3.680 50 30 FHEARN C=CCNC(=O)Cc1ccc(N(Cc2cccc(C)c2)C(=O)C2CC2)cc1 ZINC000037557347 206069836 /nfs/dbraw/zinc/06/98/36/206069836.db2.gz MXZWPYCVEGDCLS-UHFFFAOYSA-N 0 0 362.473 3.783 50 30 FHEARN C=CCNC(=O)[C@@H]1CC[C@@H](c2ccc(F)cc2)N(C(=O)c2ccccc2)C1 ZINC000037546030 206058066 /nfs/dbraw/zinc/05/80/66/206058066.db2.gz UUNGAHRTTVETMC-QUCCMNQESA-N 0 0 366.436 3.721 50 30 FHEARN Cn1c(SCC(=O)Nc2sccc2C#N)nc2cc(Cl)ccc21 ZINC000044049897 206062504 /nfs/dbraw/zinc/06/25/04/206062504.db2.gz NULOSMRTOBFBRT-UHFFFAOYSA-N 0 0 362.867 3.891 50 30 FHEARN CCCOc1c(/C=C2/CCc3[nH]c(=O)ccc3C2=O)cccc1OCC ZINC000133307714 206128780 /nfs/dbraw/zinc/12/87/80/206128780.db2.gz HELAUEVGKVGJGE-YPKPFQOOSA-N 0 0 353.418 3.775 50 30 FHEARN CCOC(=O)c1sc(NC(=O)COc2cccc(C)c2C)c(C#N)c1C ZINC000001965108 206151150 /nfs/dbraw/zinc/15/11/50/206151150.db2.gz URMSIIMSABPOIQ-UHFFFAOYSA-N 0 0 372.446 3.739 50 30 FHEARN Cc1[nH]nc2c1[C@@H](c1ccccc1[N+](=O)[O-])C1=C(CC(C)(C)CC1=O)N2 ZINC000004170140 206171223 /nfs/dbraw/zinc/17/12/23/206171223.db2.gz IZWCARISQFIWHX-MRXNPFEDSA-N 0 0 352.394 3.827 50 30 FHEARN CCSc1nc2n(n1)[C@H](c1ccc(O)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436327 206178277 /nfs/dbraw/zinc/17/82/77/206178277.db2.gz GXBRLQCUNHTWGH-MRXNPFEDSA-N 0 0 370.478 3.754 50 30 FHEARN Cc1ccc(Cl)cc1NC(=O)[C@H]1CCCN1/C=C/C(=O)C(F)(F)F ZINC000004119720 206167996 /nfs/dbraw/zinc/16/79/96/206167996.db2.gz JNCIHPVLYZXFKW-STMXVASLSA-N 0 0 360.763 3.696 50 30 FHEARN CC(=O)c1ccc(NC(=O)c2cn(CCC#N)nc2-c2cccs2)cc1 ZINC000004516880 206179759 /nfs/dbraw/zinc/17/97/59/206179759.db2.gz FUNOXGRYJDAHTP-UHFFFAOYSA-N 0 0 364.430 3.980 50 30 FHEARN C[C@@H](C#N)Sc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3 ZINC000006365325 206200661 /nfs/dbraw/zinc/20/06/61/206200661.db2.gz YDVNFECDARCRPN-NSHDSACASA-N 0 0 371.487 3.982 50 30 FHEARN COc1ccc(-c2csc(NC(=O)c3cccc(C#N)c3)n2)cc1OC ZINC000006334054 206201066 /nfs/dbraw/zinc/20/10/66/206201066.db2.gz ZHEIBMVDMHHTLO-UHFFFAOYSA-N 0 0 365.414 3.951 50 30 FHEARN CCCNc1ccc(C#N)cc1NC(=O)c1ccn(-c2ccccc2F)n1 ZINC000173041199 206223021 /nfs/dbraw/zinc/22/30/21/206223021.db2.gz DKULEIIXBFNVIO-UHFFFAOYSA-N 0 0 363.396 3.957 50 30 FHEARN N#Cc1ccsc1NC(=O)CN1CCC(c2c[nH]c3ccccc32)CC1 ZINC000008705584 206218389 /nfs/dbraw/zinc/21/83/89/206218389.db2.gz MFKQSGGPPVTDQI-UHFFFAOYSA-N 0 0 364.474 3.919 50 30 FHEARN N#Cc1ccccc1OCC(=O)Nc1ccc(Br)cc1Cl ZINC000007748563 206245412 /nfs/dbraw/zinc/24/54/12/206245412.db2.gz PPCVUBKBQKQSSF-UHFFFAOYSA-N 0 0 365.614 3.992 50 30 FHEARN CCSC1=N/C(=C\c2ccc(I)o2)C(=O)S1 ZINC000004755431 206238541 /nfs/dbraw/zinc/23/85/41/206238541.db2.gz HBFHJUKNHKMGRJ-ALCCZGGFSA-N 0 0 365.217 3.608 50 30 FHEARN COc1ccc(N=Nc2c(C)nn(-c3nc4ccccc4s3)c2N)cc1 ZINC000005603286 206240079 /nfs/dbraw/zinc/24/00/79/206240079.db2.gz QECKFZBUFFMMSL-FGNFRUFOSA-N 0 0 364.434 3.946 50 30 FHEARN C[C@@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1cccc(C#N)c1 ZINC000006436823 206241946 /nfs/dbraw/zinc/24/19/46/206241946.db2.gz MUTGEXRGIAWFEU-CYBMUJFWSA-N 0 0 354.431 3.839 50 30 FHEARN C#Cc1cccc(NS(=O)(=O)c2ccc(Br)c(C)c2)c1 ZINC000012541935 206294125 /nfs/dbraw/zinc/29/41/25/206294125.db2.gz ABCPXVOMDVYKFV-UHFFFAOYSA-N 0 0 350.237 3.540 50 30 FHEARN CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)c(OC)c3)S2)cc1 ZINC000016161385 206319548 /nfs/dbraw/zinc/31/95/48/206319548.db2.gz SBQLREBHPANEHR-BOPFTXTBSA-N 0 0 354.431 3.855 50 30 FHEARN C=CCN1C(=O)/C(=C\c2ccccc2F)S/C1=N\c1nnc(C)s1 ZINC000016770008 206320662 /nfs/dbraw/zinc/32/06/62/206320662.db2.gz SGWZFBDYOQNTFE-SIJMIEFHSA-N 0 0 360.439 3.776 50 30 FHEARN Cc1ccc([C@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)C[C@@H](c2ccco2)C3)o1 ZINC000018200458 206325179 /nfs/dbraw/zinc/32/51/79/206325179.db2.gz UWXSBQZRZHAZTC-MGPLVRAMSA-N 0 0 351.362 3.568 50 30 FHEARN COc1c2c(cc3c1[C@H](CC(=O)/C=C/c1ccccc1)N(C)CC3)OCO2 ZINC000020111760 206328681 /nfs/dbraw/zinc/32/86/81/206328681.db2.gz NFSAUYZGLBVYMW-BLGFXRMMSA-N 0 0 365.429 3.626 50 30 FHEARN C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2c(ccc([O-])c2C[NH+](C)C)C1=O ZINC000020612417 206343421 /nfs/dbraw/zinc/34/34/21/206343421.db2.gz FKXAMXHPWXNDIH-RBFBNPFJSA-N 0 0 363.413 3.777 50 30 FHEARN CN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)Cc1ccc(C#N)cc1 ZINC000032855740 206512907 /nfs/dbraw/zinc/51/29/07/206512907.db2.gz BMHHCVGPSYACEN-UHFFFAOYSA-N 0 0 368.380 3.539 50 30 FHEARN N#Cc1cccnc1OC1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000096102859 206537034 /nfs/dbraw/zinc/53/70/34/206537034.db2.gz XZKMTSPMUXHLSV-UHFFFAOYSA-N 0 0 357.413 3.790 50 30 FHEARN COc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000020188461 220317679 /nfs/dbraw/zinc/31/76/79/220317679.db2.gz VNAAJINVCSSVRV-HYARGMPZSA-N 0 0 373.884 3.509 50 30 FHEARN Cc1ccc(/N=C2\NN=C(c3ccc4c(c3)CCC(=O)N4)CS2)c(C)c1 ZINC000024988275 220471483 /nfs/dbraw/zinc/47/14/83/220471483.db2.gz NLZDVJMFMDODEX-UHFFFAOYSA-N 0 0 364.474 3.916 50 30 FHEARN Cc1cc(C)c(C#N)c(N2CCC(c3nccn3Cc3cccnc3)CC2)n1 ZINC000095513302 132213606 /nfs/dbraw/zinc/21/36/06/132213606.db2.gz LYPWQHXHQAJSIX-UHFFFAOYSA-N 0 0 372.476 3.594 50 30 FHEARN CN(Cc1ccccc1)C(=O)CCC1CCN(c2cc(C#N)ccn2)CC1 ZINC000095531470 132215325 /nfs/dbraw/zinc/21/53/25/132215325.db2.gz HMTREEHLPNBLSN-UHFFFAOYSA-N 0 0 362.477 3.608 50 30 FHEARN C=CCNC(=O)C[C@@H]1COc2cc(C)ccc2N1Cc1ccc(F)cc1 ZINC000064663567 132305157 /nfs/dbraw/zinc/30/51/57/132305157.db2.gz ZJNULEOOXLUOCJ-GOSISDBHSA-N 0 0 354.425 3.594 50 30 FHEARN Brc1ccc(/C=N/N2CCN(c3ccccc3)CC2)s1 ZINC000001214227 132381139 /nfs/dbraw/zinc/38/11/39/132381139.db2.gz JVYSQNTYDVXITI-SFQUDFHCSA-N 0 0 350.285 3.667 50 30 FHEARN O=C1c2ccccc2N(c2ccccc2)C(=O)[C@@]1(c1ccccc1)[N+](=O)[O-] ZINC000002159173 132382664 /nfs/dbraw/zinc/38/26/64/132382664.db2.gz HFYDFNXJRQJRDP-NRFANRHFSA-N 0 0 358.353 3.720 50 30 FHEARN N#Cc1c(NC(=O)CN2CCCc3ccccc32)sc2c1CCCC2 ZINC000002630767 132383808 /nfs/dbraw/zinc/38/38/08/132383808.db2.gz LEBJNTXVIGNHLF-UHFFFAOYSA-N 0 0 351.475 3.890 50 30 FHEARN Cc1c2ccccc2oc1C(=O)OCC(=O)N(CCC#N)c1ccccc1 ZINC000002627465 263326024 /nfs/dbraw/zinc/32/60/24/263326024.db2.gz WSLIYCCUZRHOFO-UHFFFAOYSA-N 0 0 362.385 3.845 50 30 FHEARN C=CCc1cc(OC)ccc1OCCCCn1cnc2ccccc2c1=O ZINC000003462432 263329408 /nfs/dbraw/zinc/32/94/08/263329408.db2.gz JZNYSMCCIVRNSY-UHFFFAOYSA-N 0 0 364.445 3.993 50 30 FHEARN C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(F)cc1 ZINC000003454963 263329453 /nfs/dbraw/zinc/32/94/53/263329453.db2.gz FVCZXZJWWGLHQK-UHFFFAOYSA-N 0 0 374.485 3.811 50 30 FHEARN CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 ZINC000003535303 263329960 /nfs/dbraw/zinc/32/99/60/263329960.db2.gz IIQPGEIXXDAUSV-OAQYLSRUSA-N 0 0 350.418 3.565 50 30 FHEARN Cc1cc(Cl)ccc1OCC(=O)ONC(=N)c1ccccc1Cl ZINC000004588858 263334328 /nfs/dbraw/zinc/33/43/28/263334328.db2.gz HTKPACKQXYWPIA-UHFFFAOYSA-N 0 0 353.205 3.544 50 30 FHEARN CC(=O)N(c1cccc(Cl)c1)C1=C(N(C)C)C(=O)c2ccccc2C1=O ZINC000004725342 263336821 /nfs/dbraw/zinc/33/68/21/263336821.db2.gz PECHKPCPPOFUDW-UHFFFAOYSA-N 0 0 368.820 3.545 50 30 FHEARN C=CCn1c(CC(C)C)nnc1SCC(=O)Nc1cc(C)ccc1OC ZINC000006701135 263346321 /nfs/dbraw/zinc/34/63/21/263346321.db2.gz UVMLWBITTCHOHK-UHFFFAOYSA-N 0 0 374.510 3.710 50 30 FHEARN C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1coc(COc2cccc(OC)c2)n1 ZINC000011844362 263368345 /nfs/dbraw/zinc/36/83/45/263368345.db2.gz HFUNLCNEOWAPIF-HZPDHXFCSA-N 0 0 368.433 3.998 50 30 FHEARN C=CCOc1ccccc1CN1C[C@@H]2C[C@H]1C(=O)N2c1ccccc1Cl ZINC000012132126 263369471 /nfs/dbraw/zinc/36/94/71/263369471.db2.gz YORBTDCWCWVFND-LPHOPBHVSA-N 0 0 368.864 3.895 50 30 FHEARN O=c1[nH][nH]c2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2 ZINC000018195500 263373408 /nfs/dbraw/zinc/37/34/08/263373408.db2.gz AFUKRBYWKCPRLJ-GFCCVEGCSA-N 0 0 350.205 3.987 50 30 FHEARN CCCOc1ccc(C(F)(F)F)cc1NCC(=O)N[C@](C)(C#N)C1CC1 ZINC000022185577 263384879 /nfs/dbraw/zinc/38/48/79/263384879.db2.gz ITANECAGCUUNFJ-QGZVFWFLSA-N 0 0 369.387 3.715 50 30 FHEARN CCOC(=O)Cc1csc(N=NCc2ccc(C(F)(F)F)cc2)n1 ZINC000031850106 263392130 /nfs/dbraw/zinc/39/21/30/263392130.db2.gz WZNOYEYUHXNTHD-UWVJOHFNSA-N 0 0 357.357 3.714 50 30 FHEARN CCCC(NCCc1ccc(OC)c(OC)c1)=C1C(=O)CC(C)(C)CC1=O ZINC000100476580 263435773 /nfs/dbraw/zinc/43/57/73/263435773.db2.gz BCLMCPBVRSZFAN-UHFFFAOYSA-N 0 0 373.493 3.848 50 30 FHEARN COc1ccccc1[C@@H](C)NC(=O)Cn1cc(-c2ccccc2)ncc1=O ZINC000328593806 263468934 /nfs/dbraw/zinc/46/89/34/263468934.db2.gz LHLDWWNOKQDILA-OAHLLOKOSA-N 0 0 363.417 3.637 50 30 FHEARN C#CCn1c2c(cccc2OC)s/c1=N\C(=O)c1cccc(Cl)c1 ZINC000100909842 518341217 /nfs/dbraw/zinc/34/12/17/518341217.db2.gz PZOFOWIJCSMHIR-ZZEZOPTASA-N 0 0 356.834 3.739 50 30 FHEARN C#CCn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] ZINC000100910326 518342447 /nfs/dbraw/zinc/34/24/47/518342447.db2.gz TZBYOALSFXKHLW-VXPUYCOJSA-N 0 0 365.414 3.602 50 30 FHEARN CC(NCCCNC(C)=C1C(=O)C[C@@H]2[C@H]1C2(C)C)=C1C(=O)C[C@@H]2[C@H]1C2(C)C ZINC000100750955 518477022 /nfs/dbraw/zinc/47/70/22/518477022.db2.gz FBLKFIJYOFNCEN-ASSXGEMVSA-N 0 0 370.537 3.594 50 30 FHEARN CC(C)(C#N)CCS(=O)(=O)Nc1ccc2nc(-c3ccccn3)oc2c1 ZINC000253424336 518507605 /nfs/dbraw/zinc/50/76/05/518507605.db2.gz DTBJPUUIELHCLR-UHFFFAOYSA-N 0 0 370.434 3.571 50 30 FHEARN C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cnn(-c2cccc(Cl)c2)c1C ZINC000225495970 518646530 /nfs/dbraw/zinc/64/65/30/518646530.db2.gz CSODFZYEAZQUPE-KBXCAEBGSA-N 0 0 359.857 3.545 50 30 FHEARN C=CCN(Cc1ccc(C)s1)C(=O)c1cnc2sc(C)c(C)n2c1=O ZINC000055119660 518778737 /nfs/dbraw/zinc/77/87/37/518778737.db2.gz VLASMOPNULEQDW-UHFFFAOYSA-N 0 0 373.503 3.571 50 30 FHEARN C=CCN(Cc1ccc(F)cc1)C(=O)c1cnc2c(C)cccc2c1O ZINC000055414473 518782736 /nfs/dbraw/zinc/78/27/36/518782736.db2.gz ZXVDIQSAZPHJKJ-UHFFFAOYSA-N 0 0 350.393 3.804 50 30 FHEARN C=CCN(Cc1ccccc1OCC)C(=O)c1cc(=O)c2ccccc2[nH]1 ZINC000055307686 518787918 /nfs/dbraw/zinc/78/79/18/518787918.db2.gz GWSVJQBYSOLPOD-UHFFFAOYSA-N 0 0 362.429 3.755 50 30 FHEARN C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)COc1ccccc1 ZINC000007720939 518797694 /nfs/dbraw/zinc/79/76/94/518797694.db2.gz STLWGBRCMAISDK-UHFFFAOYSA-N 0 0 363.417 3.639 50 30 FHEARN C=CCNC(=O)c1cccc(CN2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000034668650 518938199 /nfs/dbraw/zinc/93/81/99/518938199.db2.gz CGGFDPJDYUNIPN-UHFFFAOYSA-N 0 0 369.896 3.578 50 30 FHEARN C=CCNC(=O)c1ccccc1NC(=O)CSc1ccc(Cl)cc1 ZINC000002838368 518940049 /nfs/dbraw/zinc/94/00/49/518940049.db2.gz GVTUMEVTLMRJQR-UHFFFAOYSA-N 0 0 360.866 3.987 50 30 FHEARN C=CCOc1ccc(CN[C@H](C)c2cn3ncsc3n2)cc1CC=C ZINC000055119292 519036670 /nfs/dbraw/zinc/03/66/70/519036670.db2.gz HKDNIJXHXKXMMB-CQSZACIVSA-N 0 0 354.479 3.935 50 30 FHEARN C=CCOc1ccccc1/C=C1/SC(=O)N(CN2CCCCC2)C1=O ZINC000020036462 519065417 /nfs/dbraw/zinc/06/54/17/519065417.db2.gz GPYXPTAXXFZUMJ-GHRIWEEISA-N 0 0 358.463 3.731 50 30 FHEARN C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1coc(COc2ccc(OC)cc2)n1 ZINC000015073492 519107217 /nfs/dbraw/zinc/10/72/17/519107217.db2.gz RBOXYSQXOANCME-HZPDHXFCSA-N 0 0 368.433 3.998 50 30 FHEARN C=CCn1c(-c2cnc3onc(C)c3c2)nnc1N1CCC[C@@H](CC)C1 ZINC000240278310 519150359 /nfs/dbraw/zinc/15/03/59/519150359.db2.gz DQJSFDRXHOJRSV-CQSZACIVSA-N 0 0 352.442 3.602 50 30 FHEARN C=CCn1c(C)cc(C(=O)COc2cc(C(C)=O)ccc2NC(C)=O)c1C ZINC000008937920 519169352 /nfs/dbraw/zinc/16/93/52/519169352.db2.gz PFAWQWRUCPYXNQ-UHFFFAOYSA-N 0 0 368.433 3.714 50 30 FHEARN C=CCn1c(S[C@@H](C)C(=O)Nc2nccs2)nnc1-c1ccccc1 ZINC000004814612 519253947 /nfs/dbraw/zinc/25/39/47/519253947.db2.gz BUCKUYFXILBDNP-LBPRGKRZSA-N 0 0 371.491 3.707 50 30 FHEARN C=CCn1c2c(cccc2OC)s/c1=N\C(=O)c1ccc(OC)cc1 ZINC000100909567 519261081 /nfs/dbraw/zinc/26/10/81/519261081.db2.gz ZSVGNHINVZWKLE-VXPUYCOJSA-N 0 0 354.431 3.647 50 30 FHEARN C=CCn1cnn(CN(C)Cc2ccc3cc(OC)ccc3c2)c1=S ZINC000008184819 519285201 /nfs/dbraw/zinc/28/52/01/519285201.db2.gz ANTBWESJBAUSKQ-UHFFFAOYSA-N 0 0 354.479 3.851 50 30 FHEARN CCCCCCCCCCCCOC(=O)CN1CCC(C(N)=O)CC1 ZINC000101014522 520011295 /nfs/dbraw/zinc/01/12/95/520011295.db2.gz WYEUVBHLUZNGEE-UHFFFAOYSA-N 0 0 354.535 3.648 50 30 FHEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000016741700 520332157 /nfs/dbraw/zinc/33/21/57/520332157.db2.gz GRENSORZJLEQQE-QGZVFWFLSA-N 0 0 371.820 3.995 50 30 FHEARN CCOC(=O)/C=C\c1ccc(NC(=O)N(CCC#N)Cc2ccco2)cc1 ZINC000098056589 520402624 /nfs/dbraw/zinc/40/26/24/520402624.db2.gz BKPOKODDJWPEKX-FLIBITNWSA-N 0 0 367.405 3.804 50 30 FHEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(O)c1 ZINC000004681760 520701118 /nfs/dbraw/zinc/70/11/18/520701118.db2.gz FVOXFBOLMBDHFI-LJQANCHMSA-N 0 0 355.434 3.703 50 30 FHEARN CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O ZINC000009419222 520805305 /nfs/dbraw/zinc/80/53/05/520805305.db2.gz KXBURONZTUIFQD-MFOYZWKCSA-N 0 0 358.777 3.898 50 30 FHEARN CCOc1ccc(C2N=NC(=S)N2NN=Cc2cccc(C)c2)cc1 ZINC000006876095 520823624 /nfs/dbraw/zinc/82/36/24/520823624.db2.gz QDQVMKKWIZFWII-XDHOZWIPSA-N 0 0 353.451 3.519 50 30 FHEARN CCOc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1OC ZINC000005129641 520848343 /nfs/dbraw/zinc/84/83/43/520848343.db2.gz KEJCULKAORSGJK-ONNFQVAWSA-N 0 0 367.445 3.827 50 30 FHEARN CCOc1cccc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)c1OC ZINC000011334757 521314089 /nfs/dbraw/zinc/31/40/89/521314089.db2.gz YVCZYXSSAFNUBV-ZHACJKMWSA-N 0 0 367.445 3.827 50 30 FHEARN CCCN(CC#N)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c21 ZINC000059934176 521524585 /nfs/dbraw/zinc/52/45/85/521524585.db2.gz WVFBRNHUFXTRHD-UHFFFAOYSA-N 0 0 352.394 3.784 50 30 FHEARN COC(=O)c1cc(CSc2nc3ccccc3n2CCC#N)oc1C ZINC000006083426 521862891 /nfs/dbraw/zinc/86/28/91/521862891.db2.gz OOIPEMWRSSKONU-UHFFFAOYSA-N 0 0 355.419 3.930 50 30 FHEARN COCCn1c(C)cc(C2=NN(C)/C(=N/Cc3ccccc3)SC2)c1C ZINC000105785818 522062169 /nfs/dbraw/zinc/06/21/69/522062169.db2.gz PBUFWINQNHMOPP-MRCUWXFGSA-N 0 0 370.522 3.690 50 30 FHEARN COC(=O)/C=C1\CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]12C ZINC000257359329 522741348 /nfs/dbraw/zinc/74/13/48/522741348.db2.gz ZRBBCVQLZFVRCK-JFPHKVSJSA-N 0 0 354.446 3.573 50 30 FHEARN COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc(OC)c(OC)c1 ZINC000005129357 522818680 /nfs/dbraw/zinc/81/86/80/522818680.db2.gz YNWJZTCCYCJWLV-SOFGYWHQSA-N 0 0 358.390 3.626 50 30 FHEARN CCn1c(CCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000002721398 523174872 /nfs/dbraw/zinc/17/48/72/523174872.db2.gz IWFLXKGOLQELPW-UHFFFAOYSA-N 0 0 353.422 3.621 50 30 FHEARN COCCCNc1nc(Nc2ccccc2)c(C#N)c2c1COC(C)(C)C2 ZINC000020591502 523378024 /nfs/dbraw/zinc/37/80/24/523378024.db2.gz UHQAMNBMJYXYQI-UHFFFAOYSA-N 0 0 366.465 3.997 50 30 FHEARN COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1OC ZINC000007744400 523541469 /nfs/dbraw/zinc/54/14/69/523541469.db2.gz MBWOUYGUUKACAI-RMKNXTFCSA-N 0 0 358.390 3.626 50 30 biogenic FHEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1ccccc1F ZINC000018163567 524034365 /nfs/dbraw/zinc/03/43/65/524034365.db2.gz QSCGCAKILQSJJP-UNOMPAQXSA-N 0 0 353.393 3.863 50 30 FHEARN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NC2CCCCC2)n1 ZINC000008843585 524200410 /nfs/dbraw/zinc/20/04/10/524200410.db2.gz RPXVLCLQPHLBEH-UHFFFAOYSA-N 0 0 357.401 3.822 50 30 FHEARN Cc1cccc(C(C)C)c1NC(=O)C(=O)[C@@H](C#N)c1ccc(CC#N)cc1 ZINC000005711307 524231477 /nfs/dbraw/zinc/23/14/77/524231477.db2.gz AAORHZIFJAUAMD-IBGZPJMESA-N 0 0 359.429 3.999 50 30 FHEARN C[C@](C#N)(NC(=O)CSc1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000003386512 525136836 /nfs/dbraw/zinc/13/68/36/525136836.db2.gz RNJIKHZYFMHSKP-CYBMUJFWSA-N 0 0 363.792 3.654 50 30 FHEARN CSC(=NS(=O)(=O)c1cccs1)Nc1cccc(SC)c1 ZINC000018166771 525286608 /nfs/dbraw/zinc/28/66/08/525286608.db2.gz PNRSMQKXJGBHEA-UHFFFAOYSA-N 0 0 358.535 3.990 50 30 FHEARN COc1ccc([C@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000020947404 525413329 /nfs/dbraw/zinc/41/33/29/525413329.db2.gz XLTHZSZBJKZWES-OAQYLSRUSA-N 0 0 363.461 3.779 50 30 FHEARN COc1cccc(C=NN2CCN(c3ccc(Cl)cc3)CC2)c1OC ZINC000239135314 525864231 /nfs/dbraw/zinc/86/42/31/525864231.db2.gz LAXLCTCMHRQYLM-UHFFFAOYSA-N 0 0 359.857 3.513 50 30 FHEARN C[C@H](Oc1cccc(C#N)c1)C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000089420062 525941715 /nfs/dbraw/zinc/94/17/15/525941715.db2.gz FSANAFYMWXPMME-WMLDXEAASA-N 0 0 370.836 3.659 50 30 FHEARN [N-]=[N+]=Nc1ccc(C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cn1 ZINC000108519110 526390830 /nfs/dbraw/zinc/39/08/30/526390830.db2.gz XBPMGTYDTQYJGS-UHFFFAOYSA-N 0 0 357.801 3.801 50 30 FHEARN O=C(O/N=C(/c1ccncc1)c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1 ZINC000001211635 526413341 /nfs/dbraw/zinc/41/33/41/526413341.db2.gz ALKHVXWTZQBPPH-RELWKKBWSA-N 0 0 365.320 3.738 50 30 FHEARN N#CCCn1c2ccccc2nc1SCC(=O)Nc1ccc(F)c(F)c1 ZINC000007738746 526465206 /nfs/dbraw/zinc/46/52/06/526465206.db2.gz IYXTXUQCDQYLLB-UHFFFAOYSA-N 0 0 372.400 3.959 50 30 FHEARN O=C(NCC#CCOc1cccc(C(F)(F)F)c1)NCc1cccs1 ZINC000090610478 527545858 /nfs/dbraw/zinc/54/58/58/527545858.db2.gz MKPUCCDUYRWOPP-UHFFFAOYSA-N 0 0 368.380 3.649 50 30 FHEARN Cc1nn(C)c(C)c1CCC(=O)N(CC#Cc1ccccc1)CC(C)C ZINC000055360613 527616934 /nfs/dbraw/zinc/61/69/34/527616934.db2.gz ATZMIDFSFPHMAO-UHFFFAOYSA-N 0 0 351.494 3.506 50 30 FHEARN O=C(/C=C\c1ccc2c(c1)OCO2)N1CCS/C1=N/Cc1ccccc1 ZINC000034696585 527656936 /nfs/dbraw/zinc/65/69/36/527656936.db2.gz UPUYMYMPUUJINC-JDVLQEDPSA-N 0 0 366.442 3.560 50 30 FHEARN O=[N+]([O-])c1ccc(C=Nc2ccc(I)cc2)cc1 ZINC000252462596 571279146 /nfs/dbraw/zinc/27/91/46/571279146.db2.gz UPTYSJVCCLVCPK-UHFFFAOYSA-N 0 0 352.131 3.950 50 30 FHEARN Cc1cc(C)c(C#N)c(SCCS(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000000803909 568253913 /nfs/dbraw/zinc/25/39/13/568253913.db2.gz AJFWPKUMBLFVNG-UHFFFAOYSA-N 0 0 366.895 3.790 50 30 FHEARN CC(O)=C1C(=O)C(=O)N(c2cccc(Br)c2)[C@H]1c1ccccc1 ZINC000000677999 570447807 /nfs/dbraw/zinc/44/78/07/570447807.db2.gz VHCBIARSNIAYEU-INIZCTEOSA-N 0 0 372.218 3.938 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC(C)C ZINC000000677276 570447831 /nfs/dbraw/zinc/44/78/31/570447831.db2.gz PEIBLUCOYUCRAB-IBGZPJMESA-N 0 0 355.434 3.615 50 30 FHEARN CC1CCN(C2=C(Cl)C(=O)C(N3CCC(C)CC3)=C(Cl)C2=O)CC1 ZINC000000709680 570451694 /nfs/dbraw/zinc/45/16/94/570451694.db2.gz WVWQNDKIZCBGKW-UHFFFAOYSA-N 0 0 371.308 3.503 50 30 FHEARN O=C(C[C@@]1(O)OC(c2ccc(Cl)cc2)=CC1=O)c1ccc(Cl)cc1 ZINC000000752151 570454496 /nfs/dbraw/zinc/45/44/96/570454496.db2.gz UBSRQGFUSLVLTG-GOSISDBHSA-N 0 0 363.196 3.895 50 30 FHEARN CC1(C)CC(=O)C2=C(C1)C(C#N)(C#N)[C@H](c1ccccc1[N+](=O)[O-])CC2=O ZINC000001199497 570491682 /nfs/dbraw/zinc/49/16/82/570491682.db2.gz UJMXCUQYKIJLLL-ZDUSSCGKSA-N 0 0 363.373 3.853 50 30 FHEARN CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000100494424 570504713 /nfs/dbraw/zinc/50/47/13/570504713.db2.gz MAAUCDGBNAAPNZ-GOSISDBHSA-N 0 0 360.454 3.837 50 30 FHEARN Cc1nc(N)sc1-c1cc(-c2cc(C)c(O)c(C)c2)c(C#N)c(N)n1 ZINC000071752829 570511622 /nfs/dbraw/zinc/51/16/22/570511622.db2.gz JPAPYLFHNYGLOS-UHFFFAOYSA-N 0 0 351.435 3.539 50 30 FHEARN COc1ccc(O)cc1-c1cc(-c2cc(F)cc(F)c2)nc(N)c1C#N ZINC000071753445 570511723 /nfs/dbraw/zinc/51/17/23/570511723.db2.gz GNJCHDSHPFTKGY-UHFFFAOYSA-N 0 0 353.328 3.862 50 30 FHEARN COc1ccc(F)cc1C(=O)[C@@H]1CCCN(Cc2ccccc2C#N)C1 ZINC000071747461 570511735 /nfs/dbraw/zinc/51/17/35/570511735.db2.gz QQEWSONKYYCMSM-QGZVFWFLSA-N 0 0 352.409 3.801 50 30 FHEARN N#Cc1c(N)nc(-c2c[nH]c3ccccc32)cc1-c1cccc(OCCO)c1 ZINC000071765570 570511979 /nfs/dbraw/zinc/51/19/79/570511979.db2.gz HIIZKVUWFXRBFF-UHFFFAOYSA-N 0 0 370.412 3.722 50 30 FHEARN N#Cc1c(N)nc2c(c1-c1c(Cl)ccc([O-])c1Cl)[C@H]1CC[C@@H](C2)[NH2+]1 ZINC000071775996 570512538 /nfs/dbraw/zinc/51/25/38/570512538.db2.gz FLYOGOIAWHZQPQ-OIBJUYFYSA-N 0 0 361.232 3.564 50 30 FHEARN CN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1cccc(Cl)c1 ZINC000102406654 570515314 /nfs/dbraw/zinc/51/53/14/570515314.db2.gz TVJNZWUKDBDYFB-GALDBLJUSA-N 0 0 373.865 3.930 50 30 FHEARN C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc2c(c1)CCCC2 ZINC000014188122 570518625 /nfs/dbraw/zinc/51/86/25/570518625.db2.gz XVHBTBVOYCQZPU-OAHLLOKOSA-N 0 0 354.475 3.618 50 30 FHEARN CCCOc1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3ccccc3)S2)cc1 ZINC000002669010 570527606 /nfs/dbraw/zinc/52/76/06/570527606.db2.gz HFRWCBCYYNZQLX-ALDSOSFCSA-N 0 0 367.474 3.640 50 30 FHEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1Cc1ccc(Cl)cc1 ZINC000005010609 570575001 /nfs/dbraw/zinc/57/50/01/570575001.db2.gz UAUTWXPLCVBCKR-UHFFFAOYSA-N 0 0 355.850 3.662 50 30 FHEARN COc1cccc(C=Nc2ccc(Cl)c(Cl)c2)c1OCC(N)=O ZINC000252623196 570624635 /nfs/dbraw/zinc/62/46/35/570624635.db2.gz OMAIBPLPWDAUKW-UHFFFAOYSA-N 0 0 353.205 3.617 50 30 FHEARN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccs1)c1ccccc1 ZINC000005813895 570636405 /nfs/dbraw/zinc/63/64/05/570636405.db2.gz IOXGVXUFBAOZPS-QGZVFWFLSA-N 0 0 362.410 3.926 50 30 FHEARN CC[C@@H](C)Nc1nc2c(C)cccn2c(=O)c1/C=N/c1ccc(OC)cc1 ZINC000017824894 570765763 /nfs/dbraw/zinc/76/57/63/570765763.db2.gz FNJGFKFQLSYJGP-IKMPRTQCSA-N 0 0 364.449 3.973 50 30 FHEARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCCOc1ccc(C#N)cc1 ZINC000032672169 570767035 /nfs/dbraw/zinc/76/70/35/570767035.db2.gz PZMXCTKUVNJQMM-CYBMUJFWSA-N 0 0 372.402 3.569 50 30 FHEARN CC(C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@@H](C)C1 ZINC000013562915 570779676 /nfs/dbraw/zinc/77/96/76/570779676.db2.gz IUYNOHCDQWSYCD-OAGGEKHMSA-N 0 0 366.465 3.671 50 30 FHEARN C=CCNc1cc(CS(=O)(=O)c2ccccc2)nc(-c2ccccc2)n1 ZINC000003104754 570817162 /nfs/dbraw/zinc/81/71/62/570817162.db2.gz ARXCGCXZHDCIQJ-UHFFFAOYSA-N 0 0 365.458 3.715 50 30 FHEARN CCCCCCCCOC(=O)[C@H](O)[C@H](O)C(=O)OCCCCCCCC ZINC000101342141 570819295 /nfs/dbraw/zinc/81/92/95/570819295.db2.gz LSFNVBFEFPZYFU-HDICACEKSA-N 0 0 374.518 3.516 50 30 FHEARN Cc1ccc(S(=O)(=O)OCc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000014611440 570821021 /nfs/dbraw/zinc/82/10/21/570821021.db2.gz BKNSDBYJUGNUDL-UHFFFAOYSA-N 0 0 352.280 3.596 50 30 FHEARN O=C1N/C(=N/N=C/c2ccc(Br)cc2)S[C@H]1c1ccccc1 ZINC000018323507 570833187 /nfs/dbraw/zinc/83/31/87/570833187.db2.gz FNAWFUVYZDQEOE-XKYMITNMSA-N 0 0 374.263 3.743 50 30 FHEARN CCOC(=O)c1ccccc1NC=CC(=O)c1ccc(OC)c(OC)c1 ZINC000102965186 570842324 /nfs/dbraw/zinc/84/23/24/570842324.db2.gz 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COc1cccc(C(=O)N=C(NCc2ccncc2)Nc2ccc(C)cc2)c1 ZINC000045940637 570915264 /nfs/dbraw/zinc/91/52/64/570915264.db2.gz SBAISIJFIKINAW-UHFFFAOYSA-N 0 0 374.444 3.797 50 30 FHEARN Cc1cccc(NC(=NC(=O)c2cccc(F)c2)NCc2ccccn2)c1 ZINC000046125833 570926618 /nfs/dbraw/zinc/92/66/18/570926618.db2.gz MPUGAIANOHDFJN-UHFFFAOYSA-N 0 0 362.408 3.927 50 30 FHEARN Cc1ccccc1NC(=NC(=O)c1cccc(F)c1)NC[C@@H]1CCCO1 ZINC000046129300 570927530 /nfs/dbraw/zinc/92/75/30/570927530.db2.gz GNKJMXXQSNNAGI-KRWDZBQOSA-N 0 0 355.413 3.511 50 30 FHEARN O=C(N=C(NCc1cccnc1)Nc1cccc(F)c1)c1cccc(F)c1 ZINC000046128179 570927621 /nfs/dbraw/zinc/92/76/21/570927621.db2.gz USOIHKCQWJTIFP-UHFFFAOYSA-N 0 0 366.371 3.758 50 30 FHEARN Cc1ccc(NC(=NC(=O)c2ccc(C)cc2)NC[C@H]2CCCO2)cc1 ZINC000046130358 570928003 /nfs/dbraw/zinc/92/80/03/570928003.db2.gz FEFLPYLPYPSSML-LJQANCHMSA-N 0 0 351.450 3.680 50 30 FHEARN Cc1cc(C)cc(NC(=NC(=O)c2cccc(F)c2)NC[C@@H]2CCCO2)c1 ZINC000046131516 570928495 /nfs/dbraw/zinc/92/84/95/570928495.db2.gz 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N#Cc1c2c(sc1N1C(=O)[C@@H]3CC(Cl)=CC[C@@H]3C1=O)CCCCC2 ZINC000000862711 571094028 /nfs/dbraw/zinc/09/40/28/571094028.db2.gz RRSKSLDMAKYXOF-QWHCGFSZSA-N 0 0 360.866 3.911 50 30 FHEARN C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(N(C)C)cc1)C2 ZINC000004413697 571102191 /nfs/dbraw/zinc/10/21/91/571102191.db2.gz HQSZEMNMYLSXGT-HNNXBMFYSA-N 0 0 352.434 3.645 50 30 FHEARN Cc1cc2[nH]c(C(=O)OCC(=O)N(C)C3(C#N)CCCCC3)cc2c(C)c1 ZINC000009256999 571102838 /nfs/dbraw/zinc/10/28/38/571102838.db2.gz FMHUXUQAHLDKKM-UHFFFAOYSA-N 0 0 367.449 3.626 50 30 FHEARN O=C1C[C@H](c2ccccc2)CC2=Nc3ncnn3[C@@H](c3ccc(F)cc3)C12 ZINC000009359173 571106073 /nfs/dbraw/zinc/10/60/73/571106073.db2.gz RHDFSFOXMIXPND-QRWLVFNGSA-N 0 0 360.392 3.833 50 30 FHEARN C=C(C)COc1ccc(NC(=O)N(C)C[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000299767882 571107355 /nfs/dbraw/zinc/10/73/55/571107355.db2.gz XLCAWAOAMUOBCM-MRXNPFEDSA-N 0 0 373.497 3.752 50 30 FHEARN C=CCN1C(=O)[C@@H](Cc2ccc(F)cc2)S/C1=N/N=C/c1ccccc1 ZINC000083315225 571108369 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C=CCn1cnn(CN2CCC(c3nc4ccccc4o3)CC2)c1=S ZINC000014187204 571120937 /nfs/dbraw/zinc/12/09/37/571120937.db2.gz ZZMMIYSNMPVYAW-UHFFFAOYSA-N 0 0 355.467 3.578 50 30 FHEARN C=CCn1c(C)nn(CN2CCC(c3nc4ccccc4o3)CC2)c1=S ZINC000014189741 571121000 /nfs/dbraw/zinc/12/10/00/571121000.db2.gz CEHHQBJJQQMWMB-UHFFFAOYSA-N 0 0 369.494 3.887 50 30 FHEARN C=CCN1C(=O)/C(=C/c2cc(Cl)cc(OC)c2OC)SC1=S ZINC000015016605 571121516 /nfs/dbraw/zinc/12/15/16/571121516.db2.gz LZIOCLYZVAPOQZ-GHXNOFRVSA-N 0 0 355.868 3.744 50 30 FHEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2ccccc2c1=O ZINC000000784850 571122930 /nfs/dbraw/zinc/12/29/30/571122930.db2.gz JPXOTBSMZXCLLC-UHFFFAOYSA-N 0 0 365.458 3.622 50 30 FHEARN C=CCn1c(SCC(=O)Nc2ccccc2C)nc2ccccc2c1=O ZINC000000784851 571122941 /nfs/dbraw/zinc/12/29/41/571122941.db2.gz PMWDFPDRQZLCDZ-UHFFFAOYSA-N 0 0 365.458 3.622 50 30 FHEARN C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000001004086 571123566 /nfs/dbraw/zinc/12/35/66/571123566.db2.gz RNBMHOATAXRTQP-UHFFFAOYSA-N 0 0 362.495 3.568 50 30 FHEARN C=CCN1c2ccc(Cl)cc2[C@@](O)(CC(=O)c2ccc(C)cc2)C1=O ZINC000001320486 571124121 /nfs/dbraw/zinc/12/41/21/571124121.db2.gz USLVDJSHDUCUQT-FQEVSTJZSA-N 0 0 355.821 3.642 50 30 FHEARN CCOc1ccc(-c2nc(CC(=O)N(CCC#N)C(C)C)cs2)cc1 ZINC000058209345 571128994 /nfs/dbraw/zinc/12/89/94/571128994.db2.gz QLYLAZSOFCBSFK-UHFFFAOYSA-N 0 0 357.479 3.902 50 30 FHEARN C=CCn1c(S[C@@H](Cc2ccccc2)C(=O)OCC)nnc1C1CC1 ZINC000077216724 571140080 /nfs/dbraw/zinc/14/00/80/571140080.db2.gz VSYOPBQDUSVGPA-INIZCTEOSA-N 0 0 357.479 3.608 50 30 FHEARN C=CCn1c2ccccc2n(C[C@H](O)c2ccc(Br)cc2)c1=N ZINC000019771425 571141015 /nfs/dbraw/zinc/14/10/15/571141015.db2.gz DCSHSQDXWATQAH-KRWDZBQOSA-N 0 0 372.266 3.604 50 30 FHEARN Cc1cc(C)n(C(=O)CSc2nc(C)cc(-c3cccnc3)c2C#N)n1 ZINC000000988714 571141615 /nfs/dbraw/zinc/14/16/15/571141615.db2.gz BYQLGHQQTLPJJY-UHFFFAOYSA-N 0 0 363.446 3.570 50 30 FHEARN C=CCN(Cc1cccs1)C(=O)CSCC(=O)Nc1cccc(C)c1 ZINC000021930120 571143137 /nfs/dbraw/zinc/14/31/37/571143137.db2.gz 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N#CCCNC(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1 ZINC000006582159 571210542 /nfs/dbraw/zinc/21/05/42/571210542.db2.gz IPKUSFMXTHBMHN-UHFFFAOYSA-N 0 0 362.458 3.661 50 30 FHEARN C=CCn1c(S[C@@H]2CCCC[C@H]2O)nc2sc(C)c(C)c2c1=O ZINC000089565205 571212273 /nfs/dbraw/zinc/21/22/73/571212273.db2.gz HNUDOOHXSFTJHO-CHWSQXEVSA-N 0 0 350.509 3.656 50 30 FHEARN Cc1cccc(Nc2nnc(SCC(=O)NC3(C#N)CCCC3)s2)c1 ZINC000006651046 571239312 /nfs/dbraw/zinc/23/93/12/571239312.db2.gz HRJNFEJQABSFDZ-UHFFFAOYSA-N 0 0 373.507 3.635 50 30 FHEARN Cc1cc(C)cc(-n2ccnc2SCC(=O)N[C@](C)(C#N)C(C)C)c1 ZINC000007056643 571259768 /nfs/dbraw/zinc/25/97/68/571259768.db2.gz BCAUMGFBHBYHIH-LJQANCHMSA-N 0 0 356.495 3.636 50 30 FHEARN N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@H]2CC2[N+](=O)[O-])cc1Cl ZINC000089823147 571273475 /nfs/dbraw/zinc/27/34/75/571273475.db2.gz HKAQTRGGWQWXFU-UXLLHSPISA-N 0 0 355.781 3.599 50 30 FHEARN C=CCc1cc(C(=O)N[C@H](C)CCc2cccn2C)cc(OC)c1OC ZINC000076041126 571273824 /nfs/dbraw/zinc/27/38/24/571273824.db2.gz BGQVKVHQUABLIN-OAHLLOKOSA-N 0 0 356.466 3.522 50 30 FHEARN C[C@@H]1COC[C@@H](c2ccccc2)N1C(=O)CSCc1ccc(C#N)cc1 ZINC000089941339 571274252 /nfs/dbraw/zinc/27/42/52/571274252.db2.gz BAUVLRXPACMVIN-UZLBHIALSA-N 0 0 366.486 3.780 50 30 FHEARN CSc1ccc(C=Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000252460631 571279023 /nfs/dbraw/zinc/27/90/23/571279023.db2.gz GYIRBLIMKDNRMN-UHFFFAOYSA-N 0 0 360.504 3.944 50 30 FHEARN COc1ccc(O)c(CN=Nc2ncnc3sc4c(c32)CCCC4)c1 ZINC000252625081 571288845 /nfs/dbraw/zinc/28/88/45/571288845.db2.gz QCMYZRRWSJJQHR-UHFFFAOYSA-N 0 0 354.435 3.730 50 30 FHEARN O=S(=O)(NN=Cc1c(Cl)cccc1Cl)c1ccc(Cl)cc1 ZINC000252626613 571289036 /nfs/dbraw/zinc/28/90/36/571289036.db2.gz RCCCXMBNGUFOJT-UHFFFAOYSA-N 0 0 363.653 3.959 50 30 FHEARN C=CCNC(=O)c1c(N)n(CCCCCC)c2nc3ccccc3nc21 ZINC000002237740 571293153 /nfs/dbraw/zinc/29/31/53/571293153.db2.gz RIUICBKEGOZGCC-UHFFFAOYSA-N 0 0 351.454 3.663 50 30 FHEARN C=CCC1(CC=C)C[C@H](O)[C@H]2[C@H](CC=C3CC4(CC[C@@]32C)OCCO4)C1=O ZINC000032105548 571308456 /nfs/dbraw/zinc/30/84/56/571308456.db2.gz QHQOIHNSBHTJLJ-HUUJSLGLSA-N 0 0 372.505 3.955 50 30 FHEARN COc1nccc(-c2cccc(C(=O)N(C)C3CCSCC3)c2)c1C#N ZINC000299765051 571318835 /nfs/dbraw/zinc/31/88/35/571318835.db2.gz TUIFACOUTBGMCQ-UHFFFAOYSA-N 0 0 367.474 3.596 50 30 FHEARN CC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1CCc1ccccc1 ZINC000000636133 571319076 /nfs/dbraw/zinc/31/90/76/571319076.db2.gz FSSQLPCFBYIRRX-UHFFFAOYSA-N 0 0 355.401 3.657 50 30 FHEARN CO/C=C(/C(=O)OC)c1ccccc1Oc1snc(Cl)c1C#N ZINC000000687891 571319140 /nfs/dbraw/zinc/31/91/40/571319140.db2.gz PBGJCFSMUAPHGV-DHZHZOJOSA-N 0 0 350.783 3.621 50 30 FHEARN CCOC(=O)c1ccc(CSc2nc(C)cc(COC)c2C#N)cc1 ZINC000013281408 571323184 /nfs/dbraw/zinc/32/31/84/571323184.db2.gz QQQZPAWYNGIINH-UHFFFAOYSA-N 0 0 356.447 3.877 50 30 FHEARN C[C@@H](Oc1ccc(Br)cc1)C(=O)OCc1cccc(C#N)c1 ZINC000013287161 571323194 /nfs/dbraw/zinc/32/31/94/571323194.db2.gz WMKOBHXMABZJFD-GFCCVEGCSA-N 0 0 360.207 3.831 50 30 FHEARN COC(=O)c1c(Cl)ccc(C)c1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000079071857 571326838 /nfs/dbraw/zinc/32/68/38/571326838.db2.gz ZKEMXYJNTKFSMT-LBPRGKRZSA-N 0 0 372.808 3.713 50 30 FHEARN COc1ccc(-c2c3c(C)nn(-c4ccc(F)cc4)c3nc(N)c2C#N)cc1 ZINC000020518583 571330640 /nfs/dbraw/zinc/33/06/40/571330640.db2.gz ROWNJLGDWAQFJM-UHFFFAOYSA-N 0 0 373.391 3.998 50 30 FHEARN CC1CC[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cccnc2)O3)CC1 ZINC000020518567 571330649 /nfs/dbraw/zinc/33/06/49/571330649.db2.gz GVBHAIOPSLZJFT-ODLFYWEKSA-N 0 0 350.418 3.635 50 30 FHEARN CC(=O)N[C@H](CC(=O)Nc1ccccc1SCCC#N)c1cccs1 ZINC000095953483 571332774 /nfs/dbraw/zinc/33/27/74/571332774.db2.gz MPYHDMIZAFRYFE-OAHLLOKOSA-N 0 0 373.503 3.960 50 30 FHEARN N#CCCSc1ccccc1NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000095953567 571332803 /nfs/dbraw/zinc/33/28/03/571332803.db2.gz INVPSLNQOZUHQW-AWEZNQCLSA-N 0 0 369.421 3.896 50 30 FHEARN Cc1c(NCc2cc(F)ccc2C#N)cccc1C(=O)N1CCSCC1 ZINC000095965810 571333191 /nfs/dbraw/zinc/33/31/91/571333191.db2.gz VBTXQCOXGHEHKZ-UHFFFAOYSA-N 0 0 369.465 3.807 50 30 FHEARN COCCn1c(C)cc(CN=Nc2ncnc3sc(C)c(C)c32)c1C ZINC000254559208 571336344 /nfs/dbraw/zinc/33/63/44/571336344.db2.gz YXEKYDNKAWPVIT-UHFFFAOYSA-N 0 0 357.483 3.819 50 30 FHEARN Cc1noc(CSc2ccccc2C(=O)OCc2ccccc2C#N)n1 ZINC000022524463 571336953 /nfs/dbraw/zinc/33/69/53/571336953.db2.gz LOOKTQLPKKGRES-UHFFFAOYSA-N 0 0 365.414 3.899 50 30 FHEARN CC(C)c1ccc(CN2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 ZINC000029226063 571342211 /nfs/dbraw/zinc/34/22/11/571342211.db2.gz VMOMEHKRFQRYEB-UHFFFAOYSA-N 0 0 350.466 3.869 50 30 FHEARN Cc1cc(N)nc(S[C@@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)n1 ZINC000031745907 571353445 /nfs/dbraw/zinc/35/34/45/571353445.db2.gz TTWIKDAERWFCGT-HNEYUBDGSA-N 0 0 368.506 3.728 50 30 FHEARN C=C(C)Cn1c2sc(C)c(CC)c2c2nc(-c3cccnc3)nn2c1=O ZINC000032088249 571355442 /nfs/dbraw/zinc/35/54/42/571355442.db2.gz QKVDVFXETCTQDU-UHFFFAOYSA-N 0 0 365.462 3.615 50 30 FHEARN COc1cc(C(=O)/C=C2\C(=O)Nc3ccc(Cl)cc32)cc(OC)c1OC ZINC000032087472 571355497 /nfs/dbraw/zinc/35/54/97/571355497.db2.gz XCNAZTUJUPVLLR-LCYFTJDESA-N 0 0 373.792 3.584 50 30 FHEARN CCCOc1c(/C=C2\CCc3[nH]c(=O)ccc3C2=O)cccc1OCC ZINC000178330758 941872879 /nfs/dbraw/zinc/87/28/79/941872879.db2.gz HELAUEVGKVGJGE-BUHFOSPRSA-N 0 0 353.418 3.775 50 30 FHEARN CN1CC[C@H](NC(=O)[C@@H]2COc3ccccc3O2)[C@H]1c1ccc(F)c(F)c1 ZINC000328962368 942230530 /nfs/dbraw/zinc/23/05/30/942230530.db2.gz QQHJUMOVPNACFK-ZYSHUDEJSA-N 0 0 374.387 3.507 50 30 FHEARN O=C(Nc1nc2ccccc2n1C1CCCCC1)c1cc2n(n1)CCO2 ZINC000329783424 944248041 /nfs/dbraw/zinc/24/80/41/944248041.db2.gz OPCDUCCAGZJUIO-UHFFFAOYSA-N 0 0 351.410 3.767 50 30 FHEARN Cn1nccc1N1CCC[C@@H](NC(=O)CSc2ccc3c(c2)CCC3)C1 ZINC000329943299 944310393 /nfs/dbraw/zinc/31/03/93/944310393.db2.gz HQSAUEMXNXXMEE-QGZVFWFLSA-N 0 0 370.522 3.626 50 30 FHEARN O=C(CN1CCOCc2ccccc21)Nc1ccc(N2CCCCC2)nc1 ZINC000329899835 944315728 /nfs/dbraw/zinc/31/57/28/944315728.db2.gz FUPDPGXATDZZFQ-UHFFFAOYSA-N 0 0 366.465 3.697 50 30 FHEARN COc1ccc(C[C@H](C)CNC(=O)N2CCOC[C@H](C3CCC3)C2)cc1 ZINC000330220289 944345369 /nfs/dbraw/zinc/34/53/69/944345369.db2.gz QCEKMOVQEZLXMJ-QFBILLFUSA-N 0 0 360.498 3.536 50 30 FHEARN COc1ccc([C@H](NC(=O)N2CCO[C@@H](C(C)(C)C)C2)C(F)(F)F)cc1 ZINC000331309803 944414865 /nfs/dbraw/zinc/41/48/65/944414865.db2.gz GIZLHPPVPLNJAV-CABCVRRESA-N 0 0 374.403 3.960 50 30 FHEARN C=CCOc1ccc(/C=C\C(=O)N2CCN(c3cccc(C)c3)CC2)cc1 ZINC000098001086 948765549 /nfs/dbraw/zinc/76/55/49/948765549.db2.gz SWENQGFFXLOGNA-XFXZXTDPSA-N 0 0 362.473 3.922 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccccc2C#N)C[C@@H]1c1ccccc1 ZINC000001080024 219366784 /nfs/dbraw/zinc/36/67/84/219366784.db2.gz OLWLAXYIZFLXQE-NQIIRXRSSA-N 0 0 360.413 3.790 50 30 FHEARN N#Cc1cc2c(nc1SC[C@@H](O)COCc1ccccc1)CCCC2 ZINC000001141574 219378937 /nfs/dbraw/zinc/37/89/37/219378937.db2.gz TZIVISRGLMCHAC-SFHVURJKSA-N 0 0 354.475 3.502 50 30 FHEARN N#Cc1ccccc1OCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000003455936 219512142 /nfs/dbraw/zinc/51/21/42/219512142.db2.gz NVLXJEDHMLHSMQ-INIZCTEOSA-N 0 0 363.442 3.910 50 30 FHEARN N#Cc1ccccc1-c1ccc(COC(=O)c2ccc(C(N)=O)cc2)cc1 ZINC000022416235 209674065 /nfs/dbraw/zinc/67/40/65/209674065.db2.gz IGJZFEFPFCDUPY-UHFFFAOYSA-N 0 0 356.381 3.681 50 30 FHEARN Cc1noc(-c2cc(Cl)ccc2OCC(=O)Nc2cccc(C#N)c2)n1 ZINC000170602021 209541426 /nfs/dbraw/zinc/54/14/26/209541426.db2.gz QIQFXGSISLYFFQ-UHFFFAOYSA-N 0 0 368.780 3.588 50 30 FHEARN C=CCn1c(S[C@H](C(=O)OC)c2ccccc2)nc2ccccc2c1=O ZINC000008744749 209473215 /nfs/dbraw/zinc/47/32/15/209473215.db2.gz XKISVUPVFBUQJQ-KRWDZBQOSA-N 0 0 366.442 3.589 50 30 FHEARN N#CCCn1cc(C(=O)Nc2nccs2)c(-c2ccc(Cl)cc2)n1 ZINC000004516917 209424516 /nfs/dbraw/zinc/42/45/16/209424516.db2.gz NPPPNFKLNNRBIT-UHFFFAOYSA-N 0 0 357.826 3.826 50 30 FHEARN CCn1c(C)cs/c1=N/N=C/c1ccc(OC)c(Br)c1 ZINC000002887877 209398976 /nfs/dbraw/zinc/39/89/76/209398976.db2.gz KESPRRXBNFKHST-IFTYSCLRSA-N 0 0 354.273 3.584 50 30 FHEARN CSc1c(C#N)c(NC(=O)c2ccc(F)cc2)nn1-c1ccccc1 ZINC000001986988 209393372 /nfs/dbraw/zinc/39/33/72/209393372.db2.gz FFKZWGISHTUUSK-UHFFFAOYSA-N 0 0 352.394 3.857 50 30 FHEARN Cc1cc(C)nc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)n1 ZINC000000873394 209380113 /nfs/dbraw/zinc/38/01/13/209380113.db2.gz KGHJEBZTSROLKA-JTQLQIEISA-N 0 0 372.519 3.882 50 30 FHEARN Cc1cc(Br)ccc1NC(=O)COc1ccc(C#N)cc1F ZINC000134299985 209372905 /nfs/dbraw/zinc/37/29/05/209372905.db2.gz JYADTYFBLKCABJ-UHFFFAOYSA-N 0 0 363.186 3.786 50 30 FHEARN N#Cc1ccc(OCCOC(=O)c2cccnc2SC(F)F)cc1 ZINC000049573787 209336194 /nfs/dbraw/zinc/33/61/94/209336194.db2.gz QIRJWOGEAWPAEZ-UHFFFAOYSA-N 0 0 350.346 3.504 50 30 FHEARN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000102616149 209238095 /nfs/dbraw/zinc/23/80/95/209238095.db2.gz RARZYWLDHNMAHD-LFVOPCPISA-N 0 0 374.371 3.847 50 30 FHEARN O=C1CN2c3scc(-c4ccccc4)c3C(=O)NC2=C1c1ccccc1 ZINC000101914892 209231018 /nfs/dbraw/zinc/23/10/18/209231018.db2.gz OPYANECCMBEGIX-UHFFFAOYSA-N 0 0 358.422 3.916 50 30 FHEARN CN1C(=O)[C@H](CC(=O)Nc2ccccc2Cl)S/C1=N/c1ccccc1 ZINC000101599689 209228124 /nfs/dbraw/zinc/22/81/24/209228124.db2.gz NQFHGJRZBCMHGD-LZICOFPGSA-N 0 0 373.865 3.930 50 30 FHEARN CC(=O)Nc1ccc(C2=NN(C)/C(=N/Cc3ccccc3)SC2)cc1 ZINC000101500458 209228040 /nfs/dbraw/zinc/22/80/40/209228040.db2.gz VTCVDSSGBMKXKC-VXPUYCOJSA-N 0 0 352.463 3.584 50 30 FHEARN CN1C(=O)c2ccccc2C(=NNc2ccc(Cl)c3ccccc23)C1=O ZINC000100912379 209218632 /nfs/dbraw/zinc/21/86/32/209218632.db2.gz DNTPGMCXHAXBCS-NKFKGCMQSA-N 0 0 363.804 3.922 50 30 FHEARN CCOC(=O)C1=C(Cc2ccc(Cl)cc2)C(=O)c2ccccc2C1=O ZINC000100380082 209213464 /nfs/dbraw/zinc/21/34/64/209213464.db2.gz IDXNXDWQRWNZQX-UHFFFAOYSA-N 0 0 354.789 3.821 50 30 FHEARN CC(=O)C1=C(NCCc2nc3ccccc3[nH]2)C[C@@H](c2ccccc2)CC1=O ZINC000100168929 209210404 /nfs/dbraw/zinc/21/04/04/209210404.db2.gz XVMZPMXVDFFJTJ-QGZVFWFLSA-N 0 0 373.456 3.685 50 30 FHEARN CC1(C)CC(=O)C(C(c2cccnc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100004484 209207605 /nfs/dbraw/zinc/20/76/05/209207605.db2.gz FTGCYVFTMWERHW-SFHVURJKSA-N 0 0 369.461 3.941 50 30 FHEARN COCc1cc(C)nc(N=NCc2ccc(Br)cc2)c1C#N ZINC000098087090 209205115 /nfs/dbraw/zinc/20/51/15/209205115.db2.gz CVCLOAQHJCVGAT-OCKHKDLRSA-N 0 0 359.227 3.617 50 30 FHEARN O=C(/C=C\c1cc(O)c(O)c(Cl)c1)c1ccc(N2CCCC2=O)cc1 ZINC000096919954 209161287 /nfs/dbraw/zinc/16/12/87/209161287.db2.gz CPLJBDYDXPNEBA-BAQGIRSFSA-N 0 0 357.793 3.774 50 30 FHEARN COc1cc(/C=C2/S/C(=N/C3CCCC3)NC2=O)cc(Cl)c1O ZINC000096288904 209150806 /nfs/dbraw/zinc/15/08/06/209150806.db2.gz VEBMCWXIGMHTFR-MDWZMJQESA-N 0 0 352.843 3.557 50 30 FHEARN C=CCN1COc2ccc(CCNC(=O)c3ccc(Cl)cc3)cc2C1 ZINC000055008632 206679928 /nfs/dbraw/zinc/67/99/28/206679928.db2.gz OQRSBBJNIVYZEA-UHFFFAOYSA-N 0 0 356.853 3.650 50 30 FHEARN CC(C)c1nc(CN(C)C(=O)c2cccc(C#CC(C)(C)O)c2)cs1 ZINC000215662143 206686630 /nfs/dbraw/zinc/68/66/30/206686630.db2.gz PDBGLWKFBKUNIE-UHFFFAOYSA-N 0 0 356.491 3.661 50 30 FHEARN C=CCOc1ccc([C@H]2CC(=O)Oc3c4ccccc4n(C)c(=O)c32)cc1 ZINC000004519875 206707368 /nfs/dbraw/zinc/70/73/68/206707368.db2.gz VZNDDOFFJZNSOE-QGZVFWFLSA-N 0 0 361.397 3.544 50 30 FHEARN C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OCC)cc1)C2 ZINC000004912002 206707632 /nfs/dbraw/zinc/70/76/32/206707632.db2.gz KYYTVAWZNKHZGX-HNNXBMFYSA-N 0 0 353.418 3.977 50 30 FHEARN C=CCN(CC=C)C(=O)CSc1nnc(-c2c[nH]c3ccccc32)o1 ZINC000004997076 206709363 /nfs/dbraw/zinc/70/93/63/206709363.db2.gz WSGPQZOJBVCVQY-UHFFFAOYSA-N 0 0 354.435 3.511 50 30 FHEARN O=C(Nc1ccc2c(c1)OCO2)c1ccc(C#CC2(O)CCCCC2)cc1 ZINC000009189887 206732568 /nfs/dbraw/zinc/73/25/68/206732568.db2.gz FJNKOJLJFHBGJJ-UHFFFAOYSA-N 0 0 363.413 3.714 50 30 FHEARN C[C@@H](NC(=O)/C=C\c1ccc(C#N)cc1)c1nc(-c2ccc(F)cc2)no1 ZINC000096314646 206807333 /nfs/dbraw/zinc/80/73/33/206807333.db2.gz JGTZDHSKTWPOQI-TUOYRWMMSA-N 0 0 362.364 3.638 50 30 FHEARN COc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SC)nn32)c1 ZINC000009011870 206813461 /nfs/dbraw/zinc/81/34/61/206813461.db2.gz JFTOEZDSPAASID-INIZCTEOSA-N 0 0 370.478 3.667 50 30 FHEARN NC(=S)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000000681084 206824021 /nfs/dbraw/zinc/82/40/21/206824021.db2.gz PVVFOBYIGCGWRW-UFWORHAWSA-N 0 0 354.262 3.740 50 30 FHEARN CCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000000823461 206835954 /nfs/dbraw/zinc/83/59/54/206835954.db2.gz KCHVOCHYVGRHAA-LJQANCHMSA-N 0 0 369.461 3.862 50 30 FHEARN N#Cc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2Cl)c(F)c1 ZINC000000983618 206852350 /nfs/dbraw/zinc/85/23/50/206852350.db2.gz DHQGJVCUTDBMRP-UHFFFAOYSA-N 0 0 367.163 3.800 50 30 FHEARN COc1ccc(NC(=O)COc2ccc3c(C#N)c4ccccn4c3c2)cc1 ZINC000001403768 206879707 /nfs/dbraw/zinc/87/97/07/206879707.db2.gz YNDUHRCKDKCZPM-UHFFFAOYSA-N 0 0 371.396 3.990 50 30 FHEARN Cc1cccc(C(=O)Nc2nnc(/N=C/c3ccc([N+](=O)[O-])s3)s2)c1 ZINC000001949616 206898873 /nfs/dbraw/zinc/89/88/73/206898873.db2.gz JWVHKSJXTYMIEM-LZYBPNLTSA-N 0 0 373.419 3.819 50 30 FHEARN O[C@H](c1ccccc1)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000002592854 206922576 /nfs/dbraw/zinc/92/25/76/206922576.db2.gz DCYBJXGGLMLHFT-HQJQHLMTSA-N 0 0 354.168 3.915 50 30 FHEARN Cc1ccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)nc1 ZINC000002208086 206905123 /nfs/dbraw/zinc/90/51/23/206905123.db2.gz POIBLTWXOITWKU-UHFFFAOYSA-N 0 0 366.368 3.715 50 30 FHEARN CC(C)Oc1cccc(-c2nnc(SCc3ccc(C#N)cc3)n2N)c1 ZINC000002394927 206913214 /nfs/dbraw/zinc/91/32/14/206913214.db2.gz YCHZOVANGLVNOZ-UHFFFAOYSA-N 0 0 365.462 3.610 50 30 FHEARN N#Cc1cccc(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c1 ZINC000002650010 206926191 /nfs/dbraw/zinc/92/61/91/206926191.db2.gz HZCKFPVKFLKWJY-UHFFFAOYSA-N 0 0 374.371 3.946 50 30 FHEARN COc1ccc(OCc2nnc(SCC#N)n2-c2ccccc2F)cc1 ZINC000004246833 207009384 /nfs/dbraw/zinc/00/93/84/207009384.db2.gz YIQMHIDPAVTUFA-UHFFFAOYSA-N 0 0 370.409 3.610 50 30 FHEARN CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccccc1 ZINC000004331378 207013528 /nfs/dbraw/zinc/01/35/28/207013528.db2.gz QVRFIRMWDIHYJU-CQSZACIVSA-N 0 0 366.490 3.981 50 30 FHEARN CCOC(=O)c1sc(N=NC2CCCc3cc(OC)ccc32)nc1C ZINC000004323929 207014577 /nfs/dbraw/zinc/01/45/77/207014577.db2.gz YWTXHCXUAJAUJB-HMMYKYKNSA-N 0 0 359.451 3.789 50 30 FHEARN CCCCOc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2nnnn21 ZINC000004368786 207017589 /nfs/dbraw/zinc/01/75/89/207017589.db2.gz JAOQBFOIRJGEJM-SFHVURJKSA-N 0 0 367.453 3.510 50 30 FHEARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@@H]2c2ccccc2C(F)(F)F)C1 ZINC000004488716 207023179 /nfs/dbraw/zinc/02/31/79/207023179.db2.gz NWIAKHUUFNBWDD-OAHLLOKOSA-N 0 0 362.355 3.955 50 30 FHEARN CSc1nc2n(n1)[C@@H](c1cccc(C)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436288 207019984 /nfs/dbraw/zinc/01/99/84/207019984.db2.gz KQPBWACHZYKECS-INIZCTEOSA-N 0 0 354.479 3.967 50 30 FHEARN CSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436276 207020110 /nfs/dbraw/zinc/02/01/10/207020110.db2.gz ANBUWIJDJADGSB-MRXNPFEDSA-N 0 0 354.479 3.967 50 30 FHEARN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccco1 ZINC000004629602 207034488 /nfs/dbraw/zinc/03/44/88/207034488.db2.gz BUPKFBVRGOGNIQ-GOSISDBHSA-N 0 0 369.417 3.673 50 30 FHEARN CCOC1(OCC)O[C@](C#N)(c2ccc(Cl)cc2)C1(OCC)OCC ZINC000004568276 207029754 /nfs/dbraw/zinc/02/97/54/207029754.db2.gz YJQWRRBQCVAUBJ-MRXNPFEDSA-N 0 0 369.845 3.585 50 30 FHEARN COc1ccc(Br)cc1C=NNc1ccc([N+](=O)[O-])cc1 ZINC000004739381 207043867 /nfs/dbraw/zinc/04/38/67/207043867.db2.gz XCAAAQPFPHICAK-CXUHLZMHSA-N 0 0 350.172 3.812 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccc(N(C)C)cc1 ZINC000004821533 207050698 /nfs/dbraw/zinc/05/06/98/207050698.db2.gz VUXJHYQFPWFCAW-FXAWDEMLSA-N 0 0 353.418 3.665 50 30 FHEARN COC(=O)C([C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000004839302 207053813 /nfs/dbraw/zinc/05/38/13/207053813.db2.gz NXFNMFQEHPUXLW-SJORKVTESA-N 0 0 358.781 3.772 50 30 FHEARN CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000004936650 207063531 /nfs/dbraw/zinc/06/35/31/207063531.db2.gz LVXXONBAVQJPQM-SFHVURJKSA-N 0 0 361.438 3.569 50 30 FHEARN COCc1cc(C)nc(SCC(=O)Nc2ccc(C)c(F)c2)c1C#N ZINC000004973762 207068497 /nfs/dbraw/zinc/06/84/97/207068497.db2.gz ADZXIYIOGUXXCZ-UHFFFAOYSA-N 0 0 359.426 3.586 50 30 FHEARN O=C1C[C@@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004914677 207061690 /nfs/dbraw/zinc/06/16/90/207061690.db2.gz BTAMLTLRATZKSX-PBHICJAKSA-N 0 0 353.368 3.969 50 30 FHEARN CCCCc1ccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)cc1 ZINC000005182959 207085759 /nfs/dbraw/zinc/08/57/59/207085759.db2.gz QFUINTPUBGYNSJ-UHFFFAOYSA-N 0 0 360.461 3.633 50 30 FHEARN O=C(/C=C/c1ccc(Br)cc1)c1ccc2c(c1)NC(=O)CO2 ZINC000005109449 207081372 /nfs/dbraw/zinc/08/13/72/207081372.db2.gz CJKSYIGKTVNKJB-XVNBXDOJSA-N 0 0 358.191 3.676 50 30 FHEARN Cc1[nH][nH]c(=O)c1[C@@H](c1cccc(OCc2ccccc2)c1)C(C#N)C#N ZINC000005210445 207087929 /nfs/dbraw/zinc/08/79/29/207087929.db2.gz MAQRSTLJWKUHEH-FQEVSTJZSA-N 0 0 358.401 3.798 50 30 FHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2ccccn2)cc1 ZINC000005408955 207098061 /nfs/dbraw/zinc/09/80/61/207098061.db2.gz MZQRNYHSHUAXBK-SFHVURJKSA-N 0 0 350.418 3.624 50 30 FHEARN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000005448742 207100195 /nfs/dbraw/zinc/10/01/95/207100195.db2.gz JGADWTNQABWULG-LJQANCHMSA-N 0 0 356.381 3.865 50 30 FHEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000005559317 207106625 /nfs/dbraw/zinc/10/66/25/207106625.db2.gz XCYHZNZLVLQCAT-INIZCTEOSA-N 0 0 371.780 3.759 50 30 FHEARN C=CCn1c2ncnc(N=NCc3ccc(O)c(OC)c3)c2sc1=S ZINC000005743826 207115164 /nfs/dbraw/zinc/11/51/64/207115164.db2.gz NEFOBTHISUTFQK-UFWORHAWSA-N 0 0 373.463 3.568 50 30 FHEARN CCc1cc2c(ncnc2SCC(=O)Nc2ccccc2C#N)s1 ZINC000006054048 207128300 /nfs/dbraw/zinc/12/83/00/207128300.db2.gz GUUFSMHHXSENQQ-UHFFFAOYSA-N 0 0 354.460 3.856 50 30 FHEARN N#Cc1ccc(NC(=O)COC(=O)C23CC4CC(CC(C4)C2)C3)cc1Cl ZINC000006063724 207128518 /nfs/dbraw/zinc/12/85/18/207128518.db2.gz SAFZTNCLFGBHBU-UHFFFAOYSA-N 0 0 372.852 3.910 50 30 FHEARN N#Cc1cccc(NC(=O)CSc2ncnc3sc4c(c32)CCC4)c1 ZINC000006112828 207128862 /nfs/dbraw/zinc/12/88/62/207128862.db2.gz YMGFRVBBCWJTCF-UHFFFAOYSA-N 0 0 366.471 3.782 50 30 FHEARN CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N1 ZINC000005918436 207121454 /nfs/dbraw/zinc/12/14/54/207121454.db2.gz RJWVYLPZBXLUSL-HXUWFJFHSA-N 0 0 359.429 3.688 50 30 FHEARN CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1 ZINC000005918200 207121920 /nfs/dbraw/zinc/12/19/20/207121920.db2.gz RJWVYLPZBXLUSL-FQEVSTJZSA-N 0 0 359.429 3.688 50 30 FHEARN CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000005923972 207123100 /nfs/dbraw/zinc/12/31/00/207123100.db2.gz LYVFGKJTONQQQX-AWEZNQCLSA-N 0 0 373.503 3.898 50 30 FHEARN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Oc1ccc(Br)cc1Cl ZINC000006620121 207148395 /nfs/dbraw/zinc/14/83/95/207148395.db2.gz HRTNNRCRFWPCRM-MEBBXXQBSA-N 0 0 373.678 3.924 50 30 FHEARN N#Cc1ccccc1NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000006430076 207140904 /nfs/dbraw/zinc/14/09/04/207140904.db2.gz KDMLDDOLWFAANS-UHFFFAOYSA-N 0 0 352.434 3.646 50 30 FHEARN CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2 ZINC000006693877 207153828 /nfs/dbraw/zinc/15/38/28/207153828.db2.gz GBHPFGIYUIIVHZ-CQSZACIVSA-N 0 0 371.437 3.586 50 30 FHEARN C[C@@H]1CCc2c(C#N)c(/N=C3\c4cc([N+](=O)[O-])ccc4NC3=O)sc2C1 ZINC000006764143 207162571 /nfs/dbraw/zinc/16/25/71/207162571.db2.gz SVFHWFOZZAWGOL-SECBINFHSA-N 0 0 366.402 3.726 50 30 FHEARN N#Cc1ccccc1NC(=O)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O ZINC000006871212 207174018 /nfs/dbraw/zinc/17/40/18/207174018.db2.gz NZZKWOCHZOWVQW-OAQYLSRUSA-N 0 0 367.408 3.894 50 30 FHEARN CCOc1ccc(C2N=NC(=S)N2NN=Cc2ccccc2Cl)cc1 ZINC000006876126 207174121 /nfs/dbraw/zinc/17/41/21/207174121.db2.gz UNDISUIKXILGCQ-YBFXNURJSA-N 0 0 373.869 3.864 50 30 FHEARN Cc1ccc(C2N=NC(=S)N2N=CC=Cc2ccc([N+](=O)[O-])o2)cc1 ZINC000007079010 207187784 /nfs/dbraw/zinc/18/77/84/207187784.db2.gz ZKPAFNMNDPNMNH-DCRIRWBVSA-N 0 0 355.379 3.591 50 30 FHEARN COCc1cc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)ccc1OC ZINC000007352145 207194022 /nfs/dbraw/zinc/19/40/22/207194022.db2.gz VSTCEIQCPWWFIS-SOFGYWHQSA-N 0 0 372.417 3.764 50 30 FHEARN N#Cc1cccc(C(=O)N(C[C@H]2CCCO2)c2nc3ccccc3s2)c1 ZINC000007670522 207202030 /nfs/dbraw/zinc/20/20/30/207202030.db2.gz NWYIWVLDUAZEFE-MRXNPFEDSA-N 0 0 363.442 3.994 50 30 FHEARN Cc1ccc2[nH]c(C3=C(N)N(c4ccc(Cl)cc4C)CC3=O)nc2c1 ZINC000007995050 207216208 /nfs/dbraw/zinc/21/62/08/207216208.db2.gz LWJQWMOBJAJMHU-UHFFFAOYSA-N 0 0 352.825 3.550 50 30 FHEARN N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1Cl ZINC000008263569 207226462 /nfs/dbraw/zinc/22/64/62/207226462.db2.gz CAINDNKAJHVKMO-LBPRGKRZSA-N 0 0 374.227 3.857 50 30 FHEARN COc1ccc(N2CC[C@H](CNC(=S)Nc3cccc(OC)c3)C2)cc1 ZINC000008683084 207240836 /nfs/dbraw/zinc/24/08/36/207240836.db2.gz YGDGOHBULMCSLI-OAHLLOKOSA-N 0 0 371.506 3.928 50 30 FHEARN Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)Nc3nc[nH]n3)c(C)c21 ZINC000009048189 207255850 /nfs/dbraw/zinc/25/58/50/207255850.db2.gz JNEQUWZWTDBVEW-UHFFFAOYSA-N 0 0 366.377 3.722 50 30 FHEARN CCn1c(C)cc(C2=NN/C(=N\c3ccccc3[N+](=O)[O-])SC2)c1C ZINC000009482897 207273631 /nfs/dbraw/zinc/27/36/31/207273631.db2.gz MJPUITYPVNKFFL-UHFFFAOYSA-N 0 0 357.439 3.761 50 30 FHEARN Cn1c(SCc2cc(C#N)ccc2F)nc2sc3c(c2c1=O)CCC3 ZINC000011126484 207309845 /nfs/dbraw/zinc/30/98/45/207309845.db2.gz IDLXZNOOLWALFE-UHFFFAOYSA-N 0 0 371.462 3.787 50 30 FHEARN COc1cc(/C=C2/S/C(=N/c3ccc(C)cc3C)NC2=O)ccc1O ZINC000012032475 207334065 /nfs/dbraw/zinc/33/40/65/207334065.db2.gz OVQYTFHWNCAIBN-LICLKQGHSA-N 0 0 354.431 3.909 50 30 FHEARN C=CCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)cc1 ZINC000012349034 207366426 /nfs/dbraw/zinc/36/64/26/207366426.db2.gz PYDISDHXFQZNDA-SFHVURJKSA-N 0 0 350.422 3.501 50 30 FHEARN CC(=O)N1CCc2cc(C(=O)[C@H](C)Oc3ccc(C#N)cc3Cl)ccc21 ZINC000013024250 207450034 /nfs/dbraw/zinc/45/00/34/207450034.db2.gz TWQDKYGAILCHJW-LBPRGKRZSA-N 0 0 368.820 3.771 50 30 FHEARN CCN(CC)C(=O)c1sc(NC(=O)CCc2ccccc2)c(C#N)c1C ZINC000013952432 207490921 /nfs/dbraw/zinc/49/09/21/207490921.db2.gz BTIRGRSHXQFMAH-UHFFFAOYSA-N 0 0 369.490 3.982 50 30 FHEARN CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc(OCC)cc1 ZINC000014353797 207519011 /nfs/dbraw/zinc/51/90/11/207519011.db2.gz YAWBNLFCVIKZPX-UHFFFAOYSA-N 0 0 358.463 3.558 50 30 FHEARN C=CCN1c2ccccc2/C(=N/NC(=S)Nc2c(C)cccc2C)C1=O ZINC000018178647 207630639 /nfs/dbraw/zinc/63/06/39/207630639.db2.gz VVGZAKJZWPHAQW-PYCFMQQDSA-N 0 0 364.474 3.527 50 30 FHEARN Cc1c2sc3c(c2nc(N)c1C#N)[C@@H](c1ccc(F)cc1)CC(=O)N3 ZINC000020029525 207723832 /nfs/dbraw/zinc/72/38/32/207723832.db2.gz ZCRVHSPMHWSJDQ-LLVKDONJSA-N 0 0 352.394 3.672 50 30 FHEARN Cc1ccc(CN2CCN(/N=C/c3ccccc3Br)CC2)cc1 ZINC000021486459 207773322 /nfs/dbraw/zinc/77/33/22/207773322.db2.gz HCZAMBDCBMKJSM-KGENOOAVSA-N 0 0 372.310 3.909 50 30 FHEARN Cc1cccc(C)c1/N=C1\NN=C(c2ccc3c(c2)CCC(=O)N3)CS1 ZINC000032869504 208050793 /nfs/dbraw/zinc/05/07/93/208050793.db2.gz ROWHIHKYXRKOAP-UHFFFAOYSA-N 0 0 364.474 3.916 50 30 FHEARN C=CCN(C)C(=O)c1coc(COc2ccc3ccc(OC)cc3c2)n1 ZINC000067650176 208013007 /nfs/dbraw/zinc/01/30/07/208013007.db2.gz PALIIFJTVMYBCD-UHFFFAOYSA-N 0 0 352.390 3.673 50 30 FHEARN N#Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)c1 ZINC000031960611 208020767 /nfs/dbraw/zinc/02/07/67/208020767.db2.gz IGCSJRFOTWRYFL-UHFFFAOYSA-N 0 0 354.431 3.527 50 30 FHEARN COc1ccccc1C(=O)/C=C1\C(=O)Nc2ccc(Br)cc21 ZINC000032646581 208035462 /nfs/dbraw/zinc/03/54/62/208035462.db2.gz SBXLGPCLGOZQSE-LCYFTJDESA-N 0 0 358.191 3.676 50 30 FHEARN CC(C)CCN1CC(=O)C(c2nc(-c3ccc(F)c(F)c3)cs2)=C1N ZINC000034769811 208109191 /nfs/dbraw/zinc/10/91/91/208109191.db2.gz FTLYEODDJLDXTD-UHFFFAOYSA-N 0 0 363.433 3.646 50 30 FHEARN COC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2ccccn2)C1=O ZINC000036257441 208152650 /nfs/dbraw/zinc/15/26/50/208152650.db2.gz ZLZFHHMATQOTLU-GXDHUFHOSA-N 0 0 372.833 3.889 50 30 FHEARN N#Cc1cccc(C(=O)N[C@@H]2CCC[C@@H](OC(=O)Nc3ccccc3)C2)c1 ZINC000075165900 208193831 /nfs/dbraw/zinc/19/38/31/208193831.db2.gz OITVSGONONODKR-RTBURBONSA-N 0 0 363.417 3.848 50 30 FHEARN COc1ccc(OC)c(-n2cnc3c2NC(=O)C[C@@H]3c2ccc(C#N)cc2)c1 ZINC000040285435 208244928 /nfs/dbraw/zinc/24/49/28/208244928.db2.gz ZFZMYXUEKMXMAD-MRXNPFEDSA-N 0 0 374.400 3.885 50 30 FHEARN C=CCOc1ccccc1CN1c2ccc(Cl)cc2[C@@H](NC(C)=O)C1=O ZINC000100485715 208307059 /nfs/dbraw/zinc/30/70/59/208307059.db2.gz YUPLAHOFBMTIPE-LJQANCHMSA-N 0 0 370.836 3.629 50 30 FHEARN CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(OC)c(C)c(OC)c1 ZINC000045403609 208333022 /nfs/dbraw/zinc/33/30/22/208333022.db2.gz WJVOLTJTLQPQNY-UHFFFAOYSA-N 0 0 352.434 3.936 50 30 FHEARN N#Cc1ccc(CCC(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 ZINC000048288990 208397661 /nfs/dbraw/zinc/39/76/61/208397661.db2.gz KBGXMOKKPSEVOP-UHFFFAOYSA-N 0 0 362.477 3.583 50 30 FHEARN Cc1nc(C)c([C@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)s1 ZINC000056022376 208489582 /nfs/dbraw/zinc/48/95/82/208489582.db2.gz UNTIOCQQGLGHEC-NSHDSACASA-N 0 0 354.435 3.815 50 30 FHEARN N#Cc1cccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)c1 ZINC000065085065 208634320 /nfs/dbraw/zinc/63/43/20/208634320.db2.gz ADBQRSXHXHXIRE-UHFFFAOYSA-N 0 0 368.439 3.705 50 30 FHEARN Cn1cc(-c2nc(C(=O)Nc3ccc(C#N)cc3)cs2)c2cccnc21 ZINC000065241039 208649274 /nfs/dbraw/zinc/64/92/74/208649274.db2.gz BTRJRDXNIWEAFB-UHFFFAOYSA-N 0 0 359.414 3.821 50 30 FHEARN N#Cc1cccc(-c2c(-c3ccccc3)ncn2CCSc2c[nH]nn2)c1 ZINC000067560580 208710186 /nfs/dbraw/zinc/71/01/86/208710186.db2.gz MGCFUDYKQYMAJP-UHFFFAOYSA-N 0 0 372.457 3.999 50 30 FHEARN Cn1cc([C@H]2C[C@@H]2C(=O)Nc2sc3c(c2C#N)CCCCCC3)cn1 ZINC000069166177 208750696 /nfs/dbraw/zinc/75/06/96/208750696.db2.gz XTOLEDCEVGBJFX-CABCVRRESA-N 0 0 354.479 3.754 50 30 FHEARN Cc1ncc(Cl)c(C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)n1 ZINC000089730051 208967287 /nfs/dbraw/zinc/96/72/87/208967287.db2.gz GFKVKEQMINZHLD-UHFFFAOYSA-N 0 0 355.810 3.686 50 30 FHEARN CCC[C@@H](C)N1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2C1 ZINC000096013478 209096036 /nfs/dbraw/zinc/09/60/36/209096036.db2.gz SDMOYKDWUFEIGG-OAHLLOKOSA-N 0 0 369.490 3.863 50 30 FHEARN CC(=O)Nc1ccc(OC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1 ZINC000095349826 209023221 /nfs/dbraw/zinc/02/32/21/209023221.db2.gz JSLCAWJXTQAPQP-UHFFFAOYSA-N 0 0 369.446 3.535 50 30 FHEARN COc1cccc(NC(=O)CCC2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000095496890 132211664 /nfs/dbraw/zinc/21/16/64/132211664.db2.gz NGPDZMYOAJFKDL-UHFFFAOYSA-N 0 0 364.449 3.597 50 30 FHEARN N#Cc1cccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 ZINC000004895541 132255191 /nfs/dbraw/zinc/25/51/91/132255191.db2.gz GJETXEPFWALXQP-UHFFFAOYSA-N 0 0 350.378 3.709 50 30 FHEARN CCN1CCCc2cc(/C=N/NC(=S)Nc3ccc(OC)cc3)ccc21 ZINC000003035859 132384619 /nfs/dbraw/zinc/38/46/19/132384619.db2.gz TVDGTXDQJAKRLI-KGENOOAVSA-N 0 0 368.506 3.788 50 30 FHEARN Cc1ccc(N2CSc3nc(-c4ccccc4)c(C#N)c(=O)n3C2)cc1C ZINC000012250609 132855120 /nfs/dbraw/zinc/85/51/20/132855120.db2.gz VHNSPBKBLNXQTL-UHFFFAOYSA-N 0 0 374.469 3.926 50 30 FHEARN N#Cc1ccc(C(=O)N2CCN(Cc3ccccc3)c3ncccc32)cc1 ZINC000064929651 136134212 /nfs/dbraw/zinc/13/42/12/136134212.db2.gz BQBBBEHVVQLXLS-UHFFFAOYSA-N 0 0 354.413 3.620 50 30 FHEARN C=CCn1ccc2c(OCC(=O)Nc3ccc(CC)cc3)cccc2c1=O ZINC000004584219 263334462 /nfs/dbraw/zinc/33/44/62/263334462.db2.gz HDSCKPQCHNORKD-UHFFFAOYSA-N 0 0 362.429 3.767 50 30 FHEARN COc1cc([C@H](CC(=O)c2ccccc2)C(C#N)C#N)cc(OC)c1OC ZINC000004702723 263336329 /nfs/dbraw/zinc/33/63/29/263336329.db2.gz QRJJIWXGOHYPMA-KRWDZBQOSA-N 0 0 364.401 3.732 50 30 FHEARN Cc1nc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)[nH]c1Cc1ccccc1 ZINC000009946758 263363089 /nfs/dbraw/zinc/36/30/89/263363089.db2.gz ZFDXFDLCDVTODK-FOIQADDNSA-N 0 0 370.522 3.844 50 30 FHEARN C=CCCC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000012435581 263370449 /nfs/dbraw/zinc/37/04/49/263370449.db2.gz FZMLYUWUURIXDZ-SFHVURJKSA-N 0 0 365.433 3.770 50 30 FHEARN C=CCN(C(=O)[C@@H](C)n1nc(-c2ccccc2)ccc1=O)c1ccccc1 ZINC000021783730 263385419 /nfs/dbraw/zinc/38/54/19/263385419.db2.gz NIEPAZXFVVSJIB-QGZVFWFLSA-N 0 0 359.429 3.691 50 30 FHEARN COc1ccc(CN=Nc2nc(C)c(C(C)=O)s2)cc1Br ZINC000031833829 263392360 /nfs/dbraw/zinc/39/23/60/263392360.db2.gz AKNSESCKKCFXCR-APSNUPSMSA-N 0 0 368.256 3.871 50 30 FHEARN CCCn1ccnc1C(F)(F)C(=O)NC[C@H](C)Oc1ccccc1F ZINC000328594474 263468725 /nfs/dbraw/zinc/46/87/25/263468725.db2.gz MOALPRMHLMAYTO-LBPRGKRZSA-N 0 0 355.360 3.948 50 30 FHEARN CCn1ccnc1CN(C)C(=O)c1ccc(-c2nc(C)cc(C)c2C#N)cc1 ZINC000426410406 263580109 /nfs/dbraw/zinc/58/01/09/263580109.db2.gz BRQJABKVYKCSNR-UHFFFAOYSA-N 0 0 373.460 3.726 50 30 FHEARN CC(C)CN(Cc1cnn(C)c1)C(=O)c1ccc(-c2ccc(C#N)nc2)cc1 ZINC000426526871 263619822 /nfs/dbraw/zinc/61/98/22/263619822.db2.gz MSEDQIJANLLXGX-UHFFFAOYSA-N 0 0 373.460 3.652 50 30 FHEARN C#CCN(Cc1ccc(F)cc1)C(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C ZINC000058025017 518261284 /nfs/dbraw/zinc/26/12/84/518261284.db2.gz FVZCUZHIUJILGW-UHFFFAOYSA-N 0 0 370.424 3.611 50 30 FHEARN C#CCOc1ccccc1NCc1cc(OC)c(OC(F)F)c(OC)c1 ZINC000225405069 518335861 /nfs/dbraw/zinc/33/58/61/518335861.db2.gz OYVASFCIGJXYDX-UHFFFAOYSA-N 0 0 363.360 3.929 50 30 FHEARN CC(=O)c1cccc(C(F)(F)F)c1OCC(=O)NC1(C#N)CCCCC1 ZINC000239722334 518422685 /nfs/dbraw/zinc/42/26/85/518422685.db2.gz CCEBKOGXOUFWAL-UHFFFAOYSA-N 0 0 368.355 3.629 50 30 FHEARN C=CCC1(CC=C)CCCN1C(=O)CC(=O)Nc1cc(OC)ccc1OC ZINC000055401945 518689467 /nfs/dbraw/zinc/68/94/67/518689467.db2.gz NUZOVRZQXTUKMK-UHFFFAOYSA-N 0 0 372.465 3.546 50 30 FHEARN C=CCN(Cc1cccc(OC)c1)C(=O)C[C@H]1c2ccc(C)cc2NC1=O ZINC000101204076 518784907 /nfs/dbraw/zinc/78/49/07/518784907.db2.gz PGFWKOYLVBBGPR-IBGZPJMESA-N 0 0 364.445 3.644 50 30 FHEARN C=CCN(Cc1ccccc1OCC)C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000055042053 518787411 /nfs/dbraw/zinc/78/74/11/518787411.db2.gz UHBHUNQBYMENTF-UHFFFAOYSA-N 0 0 363.417 3.563 50 30 FHEARN C=CCNC(=O)CCSCc1cnn(-c2ccccc2)c1-n1cccc1 ZINC000008912138 518887034 /nfs/dbraw/zinc/88/70/34/518887034.db2.gz IPZTXUROIDUOTM-UHFFFAOYSA-N 0 0 366.490 3.589 50 30 FHEARN C=CCNC(=O)c1csc(CN2CCC(Cc3ccccc3)CC2)n1 ZINC000034669009 518946735 /nfs/dbraw/zinc/94/67/35/518946735.db2.gz FHXCTKSSBUDKTF-UHFFFAOYSA-N 0 0 355.507 3.514 50 30 FHEARN C=CCOc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000032759215 519031486 /nfs/dbraw/zinc/03/14/86/519031486.db2.gz YIFKSLHYRGQXLM-AWEZNQCLSA-N 0 0 359.857 3.759 50 30 FHEARN CC(C)(C)c1ccc(OCCOc2ccc(/C=N/n3cnnc3)cc2)cc1 ZINC000002959136 519041846 /nfs/dbraw/zinc/04/18/46/519041846.db2.gz KLLHNFNTMPZBDE-ZVHZXABRSA-N 0 0 364.449 3.916 50 30 FHEARN C=CCOc1cccc(-c2nn3c(CN4CCCCCC4)nnc3s2)c1 ZINC000071260598 519050699 /nfs/dbraw/zinc/05/06/99/519050699.db2.gz CONCVPRLDHUFCW-UHFFFAOYSA-N 0 0 369.494 3.794 50 30 FHEARN C=CCc1cc(/C=C2\S/C(=N\C3CCCC3)NC2=O)cc(OC)c1O ZINC000057789013 519126648 /nfs/dbraw/zinc/12/66/48/519126648.db2.gz RZFGQTGAIAZMED-WJDWOHSUSA-N 0 0 358.463 3.632 50 30 FHEARN C=CCn1c(=O)cc(C(F)(F)F)nc1SCc1cccc(OC)c1 ZINC000001403057 519164389 /nfs/dbraw/zinc/16/43/89/519164389.db2.gz PSTAAUPTIDROTQ-UHFFFAOYSA-N 0 0 356.369 3.749 50 30 FHEARN C=CCn1c(C)nnc1SCCC(=O)Nc1cc(Cl)ccc1OC ZINC000032871044 519172675 /nfs/dbraw/zinc/17/26/75/519172675.db2.gz SVPYIBRYDTYYEY-UHFFFAOYSA-N 0 0 366.874 3.555 50 30 FHEARN C=CCn1c(SC[C@@H](C#N)CCC#N)nnc1-c1ccc(OC)cc1 ZINC000008924727 519235117 /nfs/dbraw/zinc/23/51/17/519235117.db2.gz COZJZKMLXMOFDJ-CQSZACIVSA-N 0 0 353.451 3.675 50 30 FHEARN C=CCn1c2ccc(NC(=O)COc3ccc(CC)cc3)cc2sc1=O ZINC000021354936 519262483 /nfs/dbraw/zinc/26/24/83/519262483.db2.gz JHVRSZFUFKJILW-UHFFFAOYSA-N 0 0 368.458 3.829 50 30 FHEARN C=CCn1nc(C)c(C(=O)N(C)CCCOc2c(C)cccc2C)c1C ZINC000055413729 519290723 /nfs/dbraw/zinc/29/07/23/519290723.db2.gz GCSISTFVBCRHHF-UHFFFAOYSA-N 0 0 355.482 3.844 50 30 FHEARN CC(C)COC(=NC(=O)c1ccc2c(c1)OCO2)N[C@H](C)c1ccccc1 ZINC000004765735 519750013 /nfs/dbraw/zinc/75/00/13/519750013.db2.gz KJKPEISWPONFHC-OAHLLOKOSA-N 0 0 368.433 3.935 50 30 FHEARN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253501771 519758287 /nfs/dbraw/zinc/75/82/87/519758287.db2.gz QXTWZEGENLVVRE-NENAYYCWSA-N 0 0 368.473 3.961 50 30 FHEARN CCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C ZINC000002315053 520029602 /nfs/dbraw/zinc/02/96/02/520029602.db2.gz YHHREJUFMACHAE-UHFFFAOYSA-N 0 0 366.531 3.847 50 30 FHEARN CCCCCCC[C@]1(C)NC(=O)N(N=c2nc[nH]c3sccc32)C1=O ZINC000098050261 520069234 /nfs/dbraw/zinc/06/92/34/520069234.db2.gz FKZLVSNJNCMOEZ-KRWDZBQOSA-N 0 0 361.471 3.689 50 30 FHEARN CCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1 ZINC000002317811 520215059 /nfs/dbraw/zinc/21/50/59/520215059.db2.gz HYQKBKSJTYTEBM-MRXNPFEDSA-N 0 0 365.481 3.534 50 30 FHEARN CCOC(=O)COc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000032587163 520800459 /nfs/dbraw/zinc/80/04/59/520800459.db2.gz LJSOKPBELHQGNU-ODLFYWEKSA-N 0 0 355.419 3.684 50 30 FHEARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC)C2=O ZINC000005901093 521034432 /nfs/dbraw/zinc/03/44/32/521034432.db2.gz XQNMMAZQABVEAD-LPXFMOJISA-N 0 0 368.385 3.642 50 30 biogenic FHEARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O ZINC000005898710 521216843 /nfs/dbraw/zinc/21/68/43/521216843.db2.gz VHXTZTNMLKOBLF-JFENUBAZSA-N 0 0 368.385 3.642 50 30 biogenic FHEARN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)c1C ZINC000007900651 521358268 /nfs/dbraw/zinc/35/82/68/521358268.db2.gz BALGXXCUYMWEHD-JXMROGBWSA-N 0 0 363.417 3.890 50 30 FHEARN COc1cc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)cc(OC)c1 ZINC000096919937 521980899 /nfs/dbraw/zinc/98/08/99/521980899.db2.gz IGHPQUVPCSSCPQ-YHYXMXQVSA-N 0 0 351.402 3.727 50 30 FHEARN COc1cc(C(=O)/C=C\c2c(C)nc3sc(C)cn23)cc(OC)c1OC ZINC000096930335 522049715 /nfs/dbraw/zinc/04/97/15/522049715.db2.gz XQOQJBRVVAWEMU-SREVYHEPSA-N 0 0 372.446 3.935 50 30 FHEARN CC[C@@H](C)n1c(SCC(=O)N(C)C(C)(C)C#N)nnc1-c1ccccc1 ZINC000058249786 522453685 /nfs/dbraw/zinc/45/36/85/522453685.db2.gz MUXYNCVMCGFRGE-CQSZACIVSA-N 0 0 371.510 3.769 50 30 FHEARN COc1cc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000004252699 522786451 /nfs/dbraw/zinc/78/64/51/522786451.db2.gz TVKGYMYAOVADOP-SOFGYWHQSA-N 0 0 358.390 3.626 50 30 biogenic,in-vitro FHEARN COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1OC ZINC000328596984 523401415 /nfs/dbraw/zinc/40/14/15/523401415.db2.gz CESJDEUZCDKEGD-RMKNXTFCSA-N 0 0 358.390 3.626 50 30 FHEARN COC(=O)NCc1cc(/C(C)=N\OCc2cccc(C)n2)ccc1Cl ZINC000043065336 523455623 /nfs/dbraw/zinc/45/56/23/523455623.db2.gz CRFYLQMIDWBKRT-XKZIYDEJSA-N 0 0 361.829 3.840 50 30 FHEARN CN1c2ccc(Cl)cc2[C@](O)(CC(=O)C=CC=Cc2ccccc2)C1=O ZINC000004555363 524032416 /nfs/dbraw/zinc/03/24/16/524032416.db2.gz UWACZYOBENUMQP-FRTMFBJGSA-N 0 0 367.832 3.733 50 30 FHEARN COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O ZINC000005782856 524362154 /nfs/dbraw/zinc/36/21/54/524362154.db2.gz DYFBKBQLXXUQQR-JAIQZWGSSA-N 0 0 373.364 3.926 50 30 biogenic FHEARN Cc1cc(NN=Cc2cccc([N+](=O)[O-])c2)nc(NCc2ccccc2)n1 ZINC000018157200 525043959 /nfs/dbraw/zinc/04/39/59/525043959.db2.gz ZMUWOPYXSMUXNQ-FYJGNVAPSA-N 0 0 362.393 3.751 50 30 FHEARN COc1cccc(-n2cnnc2S[C@@H](C#N)Cc2ccc(C)cc2)c1 ZINC000006606972 525753911 /nfs/dbraw/zinc/75/39/11/525753911.db2.gz VDGPMLRKWPAPTG-GOSISDBHSA-N 0 0 350.447 3.811 50 30 FHEARN COc1cccc(/C=C\C(=O)c2cccc(N3CCCC3=O)c2)c1OC ZINC000096920216 525769452 /nfs/dbraw/zinc/76/94/52/525769452.db2.gz QTRIOKZVZLHFPU-QXMHVHEDSA-N 0 0 351.402 3.727 50 30 FHEARN C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N(C)C1(C#N)CCCCC1 ZINC000008257630 526011137 /nfs/dbraw/zinc/01/11/37/526011137.db2.gz GMCMAMZPEOVAKE-ZDUSSCGKSA-N 0 0 373.526 3.656 50 30 FHEARN N#CC1(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)CCCC1 ZINC000024436402 526432628 /nfs/dbraw/zinc/43/26/28/526432628.db2.gz CYUVRIXZVYNZLJ-UHFFFAOYSA-N 0 0 352.394 3.624 50 30 FHEARN N#CC1(NC(=O)COC(=O)c2cc3cc(F)ccc3s2)CCCCC1 ZINC000006879151 526435460 /nfs/dbraw/zinc/43/54/60/526435460.db2.gz YTQGEBMEFJSTOO-UHFFFAOYSA-N 0 0 360.410 3.540 50 30 FHEARN N#CC1(NC(=O)COC(=O)c2cc(Cl)sc2Cl)CCCCC1 ZINC000021633743 526435832 /nfs/dbraw/zinc/43/58/32/526435832.db2.gz MAVUWPPHRJBASW-UHFFFAOYSA-N 0 0 361.250 3.554 50 30 FHEARN N#C[C@H](C(=O)OCc1ccccc1)c1nc2ccccc2nc1N1CCCC1 ZINC000005100305 526507841 /nfs/dbraw/zinc/50/78/41/526507841.db2.gz YEXBJCKLEBUEBF-KRWDZBQOSA-N 0 0 372.428 3.581 50 30 FHEARN Cc1nc2ccccc2nc1COC(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000039571675 527172974 /nfs/dbraw/zinc/17/29/74/527172974.db2.gz QPEPSCGABDQZAN-DHZHZOJOSA-N 0 0 359.385 3.597 50 30 FHEARN O=[N+]([O-])c1ccc(Cl)c(C=NN2C(=S)N=NC2c2ccccc2)c1 ZINC000252429518 527355907 /nfs/dbraw/zinc/35/59/07/527355907.db2.gz YWGVZRGVOKBRJO-UHFFFAOYSA-N 0 0 359.798 3.678 50 30 FHEARN COc1cc(CCC(=O)Nc2sc(C)c(C)c2C#N)cc(OC)c1OC ZINC000014596000 560222800 /nfs/dbraw/zinc/22/28/00/560222800.db2.gz BZCQRRHZWHLCQI-UHFFFAOYSA-N 0 0 374.462 3.834 50 30 biogenic,in-vitro FHEARN C#Cc1cccc(NC(=O)c2ccc(-n3ncc(C(=O)OCC)c3C)cc2)c1 ZINC000024654025 567834418 /nfs/dbraw/zinc/83/44/18/567834418.db2.gz CZAFWVHLZHKGNF-UHFFFAOYSA-N 0 0 373.412 3.591 50 30 FHEARN CCN(C(=O)CSc1nc(C)cc(COC)c1C#N)c1ccccc1 ZINC000000803270 568253934 /nfs/dbraw/zinc/25/39/34/568253934.db2.gz RXLDCSAXBUVVEQ-UHFFFAOYSA-N 0 0 355.463 3.553 50 30 FHEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cccnc3)c2)c1 ZINC000024925565 568274460 /nfs/dbraw/zinc/27/44/60/568274460.db2.gz SWQOQMQTBHHWJQ-UHFFFAOYSA-N 0 0 356.381 3.520 50 30 FHEARN N#CC1(NC(=O)COC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)CCCCCC1 ZINC000051797831 568276237 /nfs/dbraw/zinc/27/62/37/568276237.db2.gz ZRYHUZKGKSECBH-KBPBESRZSA-N 0 0 374.403 3.631 50 30 FHEARN N#Cc1ccccc1COC(=O)c1ccc(OCc2cscn2)cc1 ZINC000011503017 570450766 /nfs/dbraw/zinc/45/07/66/570450766.db2.gz RKRZBRBPXPTAJL-UHFFFAOYSA-N 0 0 350.399 3.951 50 30 FHEARN O=C1C=C(c2cccs2)C[C@@H](c2ccccc2)[C@@H]1n1cnc([N+](=O)[O-])n1 ZINC000001022894 570471658 /nfs/dbraw/zinc/47/16/58/570471658.db2.gz WQFXMBBDKDFVAK-YOEHRIQHSA-N 0 0 366.402 3.629 50 30 FHEARN Cc1cc(C)c2c(n1)sc1c2ncn(/N=C/c2ccc(F)cc2)c1=O ZINC000001035728 570473391 /nfs/dbraw/zinc/47/33/91/570473391.db2.gz KPCOJPRHEWVUEP-ODCIPOBUSA-N 0 0 352.394 3.644 50 30 FHEARN CSC1=N/C(=C\c2cc(OC(C)=O)ccc2Br)C(=O)S1 ZINC000001117958 570481371 /nfs/dbraw/zinc/48/13/71/570481371.db2.gz JOPGBTYPDKHGFE-WDZFZDKYSA-N 0 0 372.265 3.708 50 30 FHEARN CCn1nc(CC(C)C)cc1C(=O)N1CCC(C#N)(c2ccccc2)CC1 ZINC000097499523 570488525 /nfs/dbraw/zinc/48/85/25/570488525.db2.gz RFNSLZGZOVQUCF-UHFFFAOYSA-N 0 0 364.493 3.799 50 30 FHEARN Cn1cc(-c2cc(-c3cc(F)cc(C(F)(F)F)c3)nc(N)c2C#N)cn1 ZINC000071776500 570512562 /nfs/dbraw/zinc/51/25/62/570512562.db2.gz JPORSZLGRXJKGS-UHFFFAOYSA-N 0 0 361.302 3.761 50 30 FHEARN C=CCN1c2ccccc2[C@](O)(CC(=O)C=CC=Cc2ccccc2)C1=O ZINC000002062686 570512614 /nfs/dbraw/zinc/51/26/14/570512614.db2.gz SGLAWCKYTLMZBX-QEVSYEORSA-N 0 0 359.425 3.636 50 30 FHEARN CC(Nc1nc(C)c(Br)c(C)n1)=C1C(=O)c2ccccc2C1=O ZINC000002380725 570520317 /nfs/dbraw/zinc/52/03/17/570520317.db2.gz JVVWGQRZZKUZQR-UHFFFAOYSA-N 0 0 372.222 3.621 50 30 FHEARN CCOC(=O)C1=C(c2ccccc2)NC(=S)C(C#N)[C@@H]1c1ccccc1 ZINC000002580691 570525664 /nfs/dbraw/zinc/52/56/64/570525664.db2.gz PZWSRGFTFGHOTK-SJORKVTESA-N 0 0 362.454 3.815 50 30 FHEARN CCOC(=O)NC(Nc1ccc(F)c(F)c1)(C(F)(F)F)C(F)(F)F ZINC000002937615 570544419 /nfs/dbraw/zinc/54/44/19/570544419.db2.gz SGBHZCBHZWZBAW-UHFFFAOYSA-N 0 0 366.208 3.944 50 30 FHEARN COc1ccc(CN2C(=O)[C@H](C)S/C2=N/N=C/c2cccs2)cc1 ZINC000004906498 570558266 /nfs/dbraw/zinc/55/82/66/570558266.db2.gz VMIZEFCDDTUMCL-WCWRRMQUSA-N 0 0 359.476 3.611 50 30 FHEARN CCN(CC)C(=O)COc1ccc(C(=O)/C=C\c2cccc(O)c2)cc1 ZINC000033527797 570558471 /nfs/dbraw/zinc/55/84/71/570558471.db2.gz QYIUQJJLSCGBBN-JYRVWZFOSA-N 0 0 353.418 3.536 50 30 FHEARN C=CCN(C(=O)Cn1ncc2c1c1cc(C)ccc1oc2=O)c1ccccc1 ZINC000004961784 570567984 /nfs/dbraw/zinc/56/79/84/570567984.db2.gz RXKUNLGAHDVUAE-UHFFFAOYSA-N 0 0 373.412 3.670 50 30 FHEARN Cc1nn(C)c(C)c1/C=C\C(=O)c1ccc(I)cc1 ZINC000033601668 570568995 /nfs/dbraw/zinc/56/89/95/570568995.db2.gz WVPHGZGIMDCTOO-HJWRWDBZSA-N 0 0 366.202 3.538 50 30 FHEARN C=CCOc1c(Cl)cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1OC ZINC000004048032 570573901 /nfs/dbraw/zinc/57/39/01/570573901.db2.gz RJRAIONHHMIVNN-DJKKODMXSA-N 0 0 362.773 3.663 50 30 FHEARN COc1cccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)c1 ZINC000005322114 570648828 /nfs/dbraw/zinc/64/88/28/570648828.db2.gz JJYHGVIIUKYWCJ-KKSFZXQISA-N 0 0 372.428 3.702 50 30 FHEARN CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=S)[C@@H]2c1ccccc1Cl ZINC000136339673 570649320 /nfs/dbraw/zinc/64/93/20/570649320.db2.gz INCDWOOKRFOGJP-CYBMUJFWSA-N 0 0 362.882 3.553 50 30 FHEARN Cc1nn2c(nc(N)c(C#N)c2-c2cccc([N+](=O)[O-])c2)c1-c1ccccc1 ZINC000005532291 570667718 /nfs/dbraw/zinc/66/77/18/570667718.db2.gz CXKOIDJERBDMOR-UHFFFAOYSA-N 0 0 370.372 3.734 50 30 FHEARN C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000005559405 570673078 /nfs/dbraw/zinc/67/30/78/570673078.db2.gz PGBGBDYXNADIHM-GFCCVEGCSA-N 0 0 359.223 3.577 50 30 FHEARN C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OCC)c1 ZINC000005563134 570674159 /nfs/dbraw/zinc/67/41/59/570674159.db2.gz FTVMZPFAEDZLMP-IBGZPJMESA-N 0 0 361.397 3.923 50 30 FHEARN CCc1ccc(/C=C\C(=O)c2cc(Br)ccc(=O)c2O)cc1 ZINC000097474819 570687980 /nfs/dbraw/zinc/68/79/80/570687980.db2.gz POFGZJDRQAJRPB-CLFYSBASSA-N 0 0 359.219 3.973 50 30 FHEARN COc1ccc(/C(C)=N/N=C(\C)c2ccc(OC)cc2OC)c(OC)c1 ZINC000012342963 570738202 /nfs/dbraw/zinc/73/82/02/570738202.db2.gz ALPRNNHLTNJSAQ-JFMUQQRKSA-N 0 0 356.422 3.954 50 30 FHEARN COc1ccc(C)cc1[C@H](C)NC(=O)CCc1c(C)nn(CCC#N)c1C ZINC000012794090 570762287 /nfs/dbraw/zinc/76/22/87/570762287.db2.gz ULHPJZWCNVMMJF-HNNXBMFYSA-N 0 0 368.481 3.541 50 30 FHEARN N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)C2CC2)[C@H]1c1ccco1 ZINC000013510286 570778239 /nfs/dbraw/zinc/77/82/39/570778239.db2.gz IBMRZRRRACSWAL-XUVXKRRUSA-N 0 0 355.397 3.660 50 30 FHEARN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccc(OC)cc2)C1=O ZINC000013601132 570780437 /nfs/dbraw/zinc/78/04/37/570780437.db2.gz DPHSNPIMGZYNCY-CPNJWEJPSA-N 0 0 363.413 3.881 50 30 FHEARN N#Cc1ccc(OCc2nnc(-c3ccccc3Br)o2)cc1 ZINC000014738150 570793714 /nfs/dbraw/zinc/79/37/14/570793714.db2.gz UTYQNQIGRFWZJF-UHFFFAOYSA-N 0 0 356.179 3.950 50 30 FHEARN O=c1[nH][nH]c2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)N2 ZINC000018195502 570814773 /nfs/dbraw/zinc/81/47/73/570814773.db2.gz AFUKRBYWKCPRLJ-LBPRGKRZSA-N 0 0 350.205 3.987 50 30 FHEARN COc1ccc([C@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)cc1O ZINC000018196782 570814782 /nfs/dbraw/zinc/81/47/82/570814782.db2.gz RFIRNUKMUUASJU-FQEVSTJZSA-N 0 0 365.385 3.694 50 30 FHEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1ccccc1 ZINC000101597331 570821465 /nfs/dbraw/zinc/82/14/65/570821465.db2.gz YSLZETIPFDBOJO-UFIXSJTLSA-N 0 0 371.437 3.806 50 30 FHEARN Oc1cc(C=NNc2cccc3cccnc32)cc(Br)c1O ZINC000015018509 570830089 /nfs/dbraw/zinc/83/00/89/570830089.db2.gz RTWRAQKKOZEZJA-DJKKODMXSA-N 0 0 358.195 3.855 50 30 FHEARN COc1ccc(N(C)C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)cn1 ZINC000102914618 570841446 /nfs/dbraw/zinc/84/14/46/570841446.db2.gz VSGZZKRMLHJDJG-UHFFFAOYSA-N 0 0 360.417 3.646 50 30 FHEARN COc1ccc(-n2c(C)cc(CN=Nc3ccc([N+](=O)[O-])cn3)c2C)cc1 ZINC000015685649 570843008 /nfs/dbraw/zinc/84/30/08/570843008.db2.gz JQRNQKZKPAMDPJ-NHDPSOOVSA-N 0 0 365.393 3.852 50 30 FHEARN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(O)cc1 ZINC000015723485 570843136 /nfs/dbraw/zinc/84/31/36/570843136.db2.gz QVOOPFAMVKEQJW-JMIUGGIZSA-N 0 0 351.366 3.549 50 30 FHEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc(=O)[nH]c2ccccc21 ZINC000032908454 570848062 /nfs/dbraw/zinc/84/80/62/570848062.db2.gz ZZRBVZSXFCURBN-UHFFFAOYSA-N 0 0 365.392 3.575 50 30 FHEARN N#Cc1cccc(NC(=O)[C@@H]2CCC[C@@H](C(=O)Nc3cccc(C#N)c3)C2)c1 ZINC000060135441 570849483 /nfs/dbraw/zinc/84/94/83/570849483.db2.gz MISNYTVNHMNZKT-QZTJIDSGSA-N 0 0 372.428 3.814 50 30 FHEARN N#CCOc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000016233450 570852488 /nfs/dbraw/zinc/85/24/88/570852488.db2.gz DEBSSHKYEAHVRT-UHFFFAOYSA-N 0 0 372.808 3.585 50 30 FHEARN CC1=C(C(N)=S)[C@H](c2ccccc2F)C2=C(N1)c1ccccc1C2=O ZINC000103989958 570854792 /nfs/dbraw/zinc/85/47/92/570854792.db2.gz OIJKFEPGJIXQCF-INIZCTEOSA-N 0 0 350.418 3.680 50 30 FHEARN Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccccc1)C1=C(N2)c2ccccc2C1=O ZINC000104171608 570857644 /nfs/dbraw/zinc/85/76/44/570857644.db2.gz LCLXSMGMWGLGFR-OAHLLOKOSA-N 0 0 371.396 3.557 50 30 FHEARN CCOC(=O)C1=C(C)NC(=CNc2ccc(C3CCCCC3)cc2)C1=O ZINC000105021116 570866763 /nfs/dbraw/zinc/86/67/63/570866763.db2.gz FVIQCYZNPJABQC-QGOAFFKASA-N 0 0 354.450 3.997 50 30 FHEARN COc1ccc(/N=C2/C(=O)Nc3ccc(Br)cc32)c(OC)c1 ZINC000018244023 570877289 /nfs/dbraw/zinc/87/72/89/570877289.db2.gz KJDLQSGOSMHHNP-UHFFFAOYSA-N 0 0 361.195 3.539 50 30 FHEARN CC(=O)Nc1ccc2[nH]c(=NC=C3C(=O)CC(C)(C)CC3=O)sc2c1 ZINC000044835319 570900282 /nfs/dbraw/zinc/90/02/82/570900282.db2.gz KJANHHRAJYFZFG-UHFFFAOYSA-N 0 0 357.435 3.509 50 30 FHEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccncc2)C2=C(CCCC2=O)N1 ZINC000019790806 570902916 /nfs/dbraw/zinc/90/29/16/570902916.db2.gz OCZZQEAKCBNXFM-FQEVSTJZSA-N 0 0 366.461 3.925 50 30 FHEARN CC1=C(C(=O)N2CCCCC2)[C@H](c2cccc(F)c2)C2=C(CCCC2=O)N1 ZINC000020028821 570908276 /nfs/dbraw/zinc/90/82/76/570908276.db2.gz AVCCPECDVWFPJW-FQEVSTJZSA-N 0 0 368.452 3.806 50 30 FHEARN CCc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccccc2)cc1 ZINC000046128901 570927596 /nfs/dbraw/zinc/92/75/96/570927596.db2.gz GLUWDSCJGTVFCD-IBGZPJMESA-N 0 0 351.450 3.626 50 30 FHEARN Cc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccccc2C)c1 ZINC000046129288 570927649 /nfs/dbraw/zinc/92/76/49/570927649.db2.gz ONYOYSGZAMENCD-GOSISDBHSA-N 0 0 351.450 3.680 50 30 FHEARN CCc1cccc(NC(=NC(=O)c2cccc(F)c2)NC[C@H]2CCCO2)c1 ZINC000046130783 570928440 /nfs/dbraw/zinc/92/84/40/570928440.db2.gz RBVUZCFSKPJEAD-LJQANCHMSA-N 0 0 369.440 3.765 50 30 FHEARN N#Cc1ccsc1NC(=O)Cn1c2ccccc2c(=O)c2ccccc21 ZINC000022003034 570937236 /nfs/dbraw/zinc/93/72/36/570937236.db2.gz RBUWNWFXCDVWLL-UHFFFAOYSA-N 0 0 359.410 3.727 50 30 FHEARN N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000024154050 570972215 /nfs/dbraw/zinc/97/22/15/570972215.db2.gz KDAMBQNIDDPAFP-MRXNPFEDSA-N 0 0 351.362 3.579 50 30 FHEARN C=CCn1c(SCC(=O)c2ccccc2C)nnc1-c1ccccn1 ZINC000124892213 571050707 /nfs/dbraw/zinc/05/07/07/571050707.db2.gz RRBPUWPEQPIWAM-UHFFFAOYSA-N 0 0 350.447 3.810 50 30 FHEARN C=CCNc1nnc(S[C@H](CCCC)C(=O)Nc2cc(C)on2)s1 ZINC000008709100 571056718 /nfs/dbraw/zinc/05/67/18/571056718.db2.gz PRDPBCGZDJRTGO-LLVKDONJSA-N 0 0 367.500 3.722 50 30 FHEARN C=CCOc1c(Cl)cc(C(=O)NCc2nccn2CC)cc1Cl ZINC000055073667 571057655 /nfs/dbraw/zinc/05/76/55/571057655.db2.gz QWMGGPPNJLIJPD-UHFFFAOYSA-N 0 0 354.237 3.705 50 30 FHEARN CC[C@H](C)N(Cc1ccncc1)C(=O)c1ccc(C#CC(C)(C)O)cc1 ZINC000055270374 571058723 /nfs/dbraw/zinc/05/87/23/571058723.db2.gz OZALGGXQOCQDTM-KRWDZBQOSA-N 0 0 350.462 3.645 50 30 FHEARN C=CCN(CCSc1ccccc1)C(=O)c1ccc(-n2cnnc2)cc1 ZINC000055392912 571059068 /nfs/dbraw/zinc/05/90/68/571059068.db2.gz YEUBDLCFHJCRIM-UHFFFAOYSA-N 0 0 364.474 3.688 50 30 FHEARN N#Cc1ccc(-c2ccc(OCc3nnnn3-c3ccccc3)cc2)cc1 ZINC000008768259 571060608 /nfs/dbraw/zinc/06/06/08/571060608.db2.gz NUSGRXSKYVCGRD-UHFFFAOYSA-N 0 0 353.385 3.780 50 30 FHEARN Cc1cc(C(F)(F)F)c(C#N)c(SCCC(=O)Nc2nccs2)n1 ZINC000008843584 571062500 /nfs/dbraw/zinc/06/25/00/571062500.db2.gz NBPRKZYIVKNBLD-UHFFFAOYSA-N 0 0 372.397 3.858 50 30 FHEARN C=CCN1CC2(CCC1=O)CCN(C(=O)Nc1ccc(C)cc1C)CC2 ZINC000091690302 571063089 /nfs/dbraw/zinc/06/30/89/571063089.db2.gz WRROXUSNOTWSBG-UHFFFAOYSA-N 0 0 355.482 3.726 50 30 FHEARN N#Cc1ccccc1S(=O)(=O)Oc1ccc(Oc2ccccn2)cc1 ZINC000012742329 571063892 /nfs/dbraw/zinc/06/38/92/571063892.db2.gz ZEXCJCUUMLVTBM-UHFFFAOYSA-N 0 0 352.371 3.513 50 30 FHEARN COc1cccc(NC(=NC(=O)c2ccc(C)cc2)NCc2cccnc2)c1 ZINC000046127319 571064674 /nfs/dbraw/zinc/06/46/74/571064674.db2.gz KXRYOBSZZRBHFK-UHFFFAOYSA-N 0 0 374.444 3.797 50 30 FHEARN C=CCN(Cc1ccccn1)C(=O)CCSc1ccc2c(c1)OCCO2 ZINC000065408486 571074209 /nfs/dbraw/zinc/07/42/09/571074209.db2.gz OAYFCKFYIXZSBR-UHFFFAOYSA-N 0 0 370.474 3.550 50 30 FHEARN C[C@H](NCC(=O)Nc1sccc1C#N)c1ccccc1Br ZINC000012750356 571075554 /nfs/dbraw/zinc/07/55/54/571075554.db2.gz RHVTYGYYOOPVTA-JTQLQIEISA-N 0 0 364.268 3.672 50 30 FHEARN C=CCn1c(C)cc(-c2csc(NC(=O)[C@@H](NC(C)=O)C(C)C)n2)c1C ZINC000012763698 571083301 /nfs/dbraw/zinc/08/33/01/571083301.db2.gz SVESOAUQUZSWND-KRWDZBQOSA-N 0 0 374.510 3.514 50 30 FHEARN N#CC1(NC(=O)C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)CCCC1 ZINC000084525299 571087817 /nfs/dbraw/zinc/08/78/17/571087817.db2.gz DMYUCWVYQWJQIW-FQEVSTJZSA-N 0 0 358.445 3.947 50 30 FHEARN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N[C@@]1(C#N)CCSC1 ZINC000069118752 571088662 /nfs/dbraw/zinc/08/86/62/571088662.db2.gz ALCOIJJLFPJZNH-GOSISDBHSA-N 0 0 357.504 3.864 50 30 FHEARN N#Cc1ccc(Cl)cc1NC(=O)c1ccnc(OCC2CCOCC2)c1 ZINC000244969099 571091203 /nfs/dbraw/zinc/09/12/03/571091203.db2.gz GYHKVOGAPXWKEW-UHFFFAOYSA-N 0 0 371.824 3.664 50 30 FHEARN N#Cc1ccccc1Cn1nc(-c2ccccc2)cc(C(F)(F)F)c1=O ZINC000024990075 571093183 /nfs/dbraw/zinc/09/31/83/571093183.db2.gz GMKQKNSUQXIZIH-UHFFFAOYSA-N 0 0 355.319 3.849 50 30 FHEARN C=CCNc1oc(-c2ccc(COc3ccc(OC)cc3)o2)nc1C#N ZINC000012418970 571097369 /nfs/dbraw/zinc/09/73/69/571097369.db2.gz VJRFKUXHPVNADQ-UHFFFAOYSA-N 0 0 351.362 3.992 50 30 FHEARN O=C1C[C@H](c2ccccc2)CC2=Nc3ncnn3[C@H](c3ccccc3F)C12 ZINC000009361194 571106399 /nfs/dbraw/zinc/10/63/99/571106399.db2.gz DCOSWCVEFAJWSB-JLTOFOAXSA-N 0 0 360.392 3.833 50 30 FHEARN C=CCn1c([C@H](C)NC(=O)c2ccc(Cl)cc2Cl)n[nH]c1=S ZINC000005486918 571112004 /nfs/dbraw/zinc/11/20/04/571112004.db2.gz VSWGXVBHKDNHEM-QMMMGPOBSA-N 0 0 357.266 3.924 50 30 FHEARN C=CCSc1nnc(NC(=O)c2cc(=O)c3c(C)cc(C)cc3o2)s1 ZINC000008739626 571112486 /nfs/dbraw/zinc/11/24/86/571112486.db2.gz XMEBLHCLTSPYCT-UHFFFAOYSA-N 0 0 373.459 3.792 50 30 FHEARN C=CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 ZINC000009233770 571113343 /nfs/dbraw/zinc/11/33/43/571113343.db2.gz WWOOGJHGYNKGIS-INIZCTEOSA-N 0 0 350.418 3.551 50 30 FHEARN O=[N+]([O-])c1cccc(/C=N/c2cc3c(cc2Br)OCCO3)c1 ZINC000087711576 571116434 /nfs/dbraw/zinc/11/64/34/571116434.db2.gz CTAWGNGDUJTOAT-RQZCQDPDSA-N 0 0 363.167 3.879 50 30 FHEARN C=CCn1c(SCCOc2ccc(C#N)cc2)nc2ccsc2c1=O ZINC000012636708 571118258 /nfs/dbraw/zinc/11/82/58/571118258.db2.gz MZJMPFMGTREPGW-UHFFFAOYSA-N 0 0 369.471 3.687 50 30 FHEARN C=CCN(C(=O)Cn1c(C)csc1=O)c1nc(-c2ccccc2)cs1 ZINC000012794096 571118694 /nfs/dbraw/zinc/11/86/94/571118694.db2.gz OEERKABTNKVQQJ-UHFFFAOYSA-N 0 0 371.487 3.561 50 30 FHEARN C=CCn1c(SCC(=O)NC2CCC(C)CC2)nnc1-c1ccccc1 ZINC000014161012 571120998 /nfs/dbraw/zinc/12/09/98/571120998.db2.gz SEUZCMMWCGNYLT-UHFFFAOYSA-N 0 0 370.522 3.918 50 30 FHEARN N#Cc1cccc(C(=O)NCC2(Sc3ccccc3)CCOCC2)c1 ZINC000096330975 571121604 /nfs/dbraw/zinc/12/16/04/571121604.db2.gz NVJUHFFXVKMNPS-UHFFFAOYSA-N 0 0 352.459 3.630 50 30 FHEARN C[C@@H](NC(=S)NC1CCCCC1)[C@@H](c1cccs1)N1CCOCC1 ZINC000013878780 571122625 /nfs/dbraw/zinc/12/26/25/571122625.db2.gz NMOMXTJEULRUFE-PBHICJAKSA-N 0 0 367.584 3.718 50 30 FHEARN C=CCn1c(SCC(=O)c2ccc(OC)cc2)nc2ccccc2c1=O ZINC000000784848 571122977 /nfs/dbraw/zinc/12/29/77/571122977.db2.gz HBRLIPIXOMJUPE-UHFFFAOYSA-N 0 0 366.442 3.566 50 30 FHEARN C=C(C)c1cccc(C(C)(C)NC(=O)N2CCC(C(=O)OCC)CC2)c1 ZINC000001140854 571123636 /nfs/dbraw/zinc/12/36/36/571123636.db2.gz RGRQBVRKYITGNW-UHFFFAOYSA-N 0 0 358.482 3.940 50 30 FHEARN C#CCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O ZINC000001166694 571123771 /nfs/dbraw/zinc/12/37/71/571123771.db2.gz FHTGKZPXARXLAD-YBEGLDIGSA-N 0 0 368.370 3.833 50 30 FHEARN Cc1sc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C#N)c1C ZINC000010253706 571124471 /nfs/dbraw/zinc/12/44/71/571124471.db2.gz DPBCTSXMKLKRGD-UHFFFAOYSA-N 0 0 362.476 3.671 50 30 FHEARN C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000002058741 571124530 /nfs/dbraw/zinc/12/45/30/571124530.db2.gz NACOHXPXLCDGLI-AWEZNQCLSA-N 0 0 355.221 3.693 50 30 FHEARN Cc1nnc(SCCOc2cccc(C#N)c2)n1-c1ccccc1C ZINC000053286546 571125206 /nfs/dbraw/zinc/12/52/06/571125206.db2.gz BZJVRUDLBVXGLJ-UHFFFAOYSA-N 0 0 350.447 3.927 50 30 FHEARN C[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000015799396 571127663 /nfs/dbraw/zinc/12/76/63/571127663.db2.gz IQOSPQKNLAGQTH-LBPRGKRZSA-N 0 0 373.503 3.641 50 30 FHEARN Cc1cn2c(/C=C/C(=O)c3ccc(N4CCOCC4)cc3)c(C)nc2s1 ZINC000058381589 571131915 /nfs/dbraw/zinc/13/19/15/571131915.db2.gz XGCHCQMCZKHDMT-BQYQJAHWSA-N 0 0 367.474 3.745 50 30 FHEARN Cc1ccccc1NC(=O)CSc1nc2c(cc1C#N)C(=O)CCC2 ZINC000015834572 571132980 /nfs/dbraw/zinc/13/29/80/571132980.db2.gz TZTJIGWXBKCGEV-UHFFFAOYSA-N 0 0 351.431 3.512 50 30 FHEARN COc1ccc(Br)cc1/C=N/N1C(=O)C[C@H]1c1ccccc1 ZINC000059186801 571134273 /nfs/dbraw/zinc/13/42/73/571134273.db2.gz MJMUWLPNBUSHGL-BKQORJHRSA-N 0 0 359.223 3.765 50 30 FHEARN C=CCn1c(SCC(=O)Nc2nccs2)nnc1C1CCCCC1 ZINC000017074811 571140169 /nfs/dbraw/zinc/14/01/69/571140169.db2.gz ANHHFASIWFFFKF-UHFFFAOYSA-N 0 0 363.512 3.699 50 30 FHEARN N#Cc1ccccc1NC(=O)c1cccn2c(-c3ccc(F)cc3)nnc12 ZINC000015867741 571140374 /nfs/dbraw/zinc/14/03/74/571140374.db2.gz IAIZHSDTEWZRMQ-UHFFFAOYSA-N 0 0 357.348 3.659 50 30 FHEARN N#Cc1ccccc1[C@H]1[C@H]2CCCC=C2c2c(N)snc2C1(C#N)C#N ZINC000001021805 571143814 /nfs/dbraw/zinc/14/38/14/571143814.db2.gz MELADKHDKLWJDX-RDJZCZTQSA-N 0 0 357.442 3.863 50 30 FHEARN CSc1nc(C)c(CCC(=O)Nc2ccc(C#N)c(Cl)c2)c(C)n1 ZINC000012923341 571145624 /nfs/dbraw/zinc/14/56/24/571145624.db2.gz MIUPIKZAMHAWTE-UHFFFAOYSA-N 0 0 360.870 3.912 50 30 FHEARN C=CCN1C(=S)N(c2ccc(OCC)cc2)C(=O)[C@H]1c1ccccc1 ZINC000028405701 571150210 /nfs/dbraw/zinc/15/02/10/571150210.db2.gz UCQWCRQEFMHHDY-GOSISDBHSA-N 0 0 352.459 3.946 50 30 FHEARN Cc1cccnc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000053340641 571151356 /nfs/dbraw/zinc/15/13/56/571151356.db2.gz PJBQEOUVGRVUOT-UHFFFAOYSA-N 0 0 354.172 3.797 50 30 FHEARN C[C@H](OC(=O)c1ccoc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000016159109 571153900 /nfs/dbraw/zinc/15/39/00/571153900.db2.gz CNAIHFCEAWSIBT-NSHDSACASA-N 0 0 358.419 3.666 50 30 FHEARN COC(=O)c1cnc(NC(=O)c2sc(Cc3ccccc3)nc2C)s1 ZINC000033162430 571160391 /nfs/dbraw/zinc/16/03/91/571160391.db2.gz PQFNACDLKGXLCT-UHFFFAOYSA-N 0 0 373.459 3.922 50 30 FHEARN O=[N+]([O-])c1ccc(NCC/N=C/c2ccccc2O)c(C(F)(F)F)c1 ZINC000004688218 571161554 /nfs/dbraw/zinc/16/15/54/571161554.db2.gz KEGMMAUWPMTDKS-KEBDBYFISA-N 0 0 353.300 3.850 50 30 FHEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccc(O)c2)C1=O ZINC000001171818 571164914 /nfs/dbraw/zinc/16/49/14/571164914.db2.gz QACUBQWCGAZUDO-RVDMUPIBSA-N 0 0 353.399 3.546 50 30 FHEARN N#Cc1c2c(sc1-n1ncnc1-c1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000001196096 571165608 /nfs/dbraw/zinc/16/56/08/571165608.db2.gz PBDMWXFVXLBSDC-UHFFFAOYSA-N 0 0 351.391 3.654 50 30 FHEARN COC(=O)O[C@@H]1C=CC(=O)[C@H](C2c3ccccc3CCc3ccccc32)O1 ZINC000071769412 571166274 /nfs/dbraw/zinc/16/62/74/571166274.db2.gz SBYGZTOCAMEYRE-TZIWHRDSSA-N 0 0 364.397 3.550 50 30 FHEARN N#Cc1ccccc1NC(=O)CSC1=Nc2ccccc2[C@H]2CC=NN12 ZINC000005959815 571169506 /nfs/dbraw/zinc/16/95/06/571169506.db2.gz ONVCBQXNEQCRAV-QGZVFWFLSA-N 0 0 361.430 3.664 50 30 FHEARN C[C@@H](Cc1csc2ccccc12)NS(=O)(=O)c1ccc(C#N)cc1 ZINC000575620004 571172543 /nfs/dbraw/zinc/17/25/43/571172543.db2.gz HJMSMXOYPUJKOO-ZDUSSCGKSA-N 0 0 356.472 3.682 50 30 FHEARN C=CCN(C(=O)CSc1nncn1-c1ccccc1C)c1ccccc1 ZINC000012533529 571175422 /nfs/dbraw/zinc/17/54/22/571175422.db2.gz OPIOSSVDJWRZKN-UHFFFAOYSA-N 0 0 364.474 3.887 50 30 FHEARN Cn1c2ccccc2nc1SCC(=O)N(CCC#N)c1ccc(F)cc1 ZINC000012538576 571176641 /nfs/dbraw/zinc/17/66/41/571176641.db2.gz CRXSVLOBBCMKQV-UHFFFAOYSA-N 0 0 368.437 3.751 50 30 FHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(F)cc1 ZINC000019138074 571179092 /nfs/dbraw/zinc/17/90/92/571179092.db2.gz LNBXOGPZZCLSHB-GOSISDBHSA-N 0 0 351.377 3.898 50 30 FHEARN CCOC(=O)c1ccc2nc(NC(=O)c3ccc(C#N)cc3)sc2c1 ZINC000006327970 571180644 /nfs/dbraw/zinc/18/06/44/571180644.db2.gz YUELESYCAYSMJI-UHFFFAOYSA-N 0 0 351.387 3.597 50 30 FHEARN CCSc1ccccc1C(=O)OCC(=O)NC1(C#N)CCCCCC1 ZINC000013004600 571187888 /nfs/dbraw/zinc/18/78/88/571187888.db2.gz VYGSNSCLFSXIPM-UHFFFAOYSA-N 0 0 360.479 3.688 50 30 FHEARN CCOC(=O)C=C(C)Nc1cc(-c2ccc(Br)cc2)n[nH]1 ZINC000252624330 571190030 /nfs/dbraw/zinc/19/00/30/571190030.db2.gz PLSATWRMCRXCIN-UHFFFAOYSA-N 0 0 350.216 3.885 50 30 FHEARN CN(CC(=O)Nc1cccc(C#N)c1)Cc1ccccc1N1CCCCC1 ZINC000012608413 571190610 /nfs/dbraw/zinc/19/06/10/571190610.db2.gz QQMMHBWHUWLALX-UHFFFAOYSA-N 0 0 362.477 3.619 50 30 FHEARN N#Cc1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)c1 ZINC000026676305 571192466 /nfs/dbraw/zinc/19/24/66/571192466.db2.gz WHHCTCFWCHJUJD-UHFFFAOYSA-N 0 0 367.206 3.963 50 30 FHEARN N#Cc1nc(-c2cccs2)oc1N1CCN(Cc2ccccc2)CC1 ZINC000054061436 571198759 /nfs/dbraw/zinc/19/87/59/571198759.db2.gz DKOVEXNOIZABKV-UHFFFAOYSA-N 0 0 350.447 3.597 50 30 FHEARN N#Cc1cccc(COC(=O)Cn2c3ccccc3nc2C(F)(F)F)c1 ZINC000006465426 571199973 /nfs/dbraw/zinc/19/99/73/571199973.db2.gz OCSVZYHKNMCYCR-UHFFFAOYSA-N 0 0 359.307 3.670 50 30 FHEARN COc1ccc(-c2ncc(C(=O)N[C@H](C#N)Cc3ccccc3)s2)cc1 ZINC000089455370 571204043 /nfs/dbraw/zinc/20/40/43/571204043.db2.gz DFTFDJVZOLLSBU-INIZCTEOSA-N 0 0 363.442 3.683 50 30 FHEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000006498384 571205019 /nfs/dbraw/zinc/20/50/19/571205019.db2.gz KFXJZDILTSMDFK-UHFFFAOYSA-N 0 0 350.422 3.946 50 30 FHEARN COc1ccc(/C=C/C(=O)c2cc(C)nn2C)cc1Cn1cc(Cl)cn1 ZINC000006527838 571207255 /nfs/dbraw/zinc/20/72/55/571207255.db2.gz UZUORBWDGKFBMO-GQCTYLIASA-N 0 0 370.840 3.531 50 30 FHEARN Cc1cc(=O)c2cccc(-c3ccc(C(=O)N4CCC[C@H](C#N)C4)cc3)c2[nH]1 ZINC000534653076 571207577 /nfs/dbraw/zinc/20/75/77/571207577.db2.gz KDGIPTQCCJFFCS-MRXNPFEDSA-N 0 0 371.440 3.879 50 30 FHEARN CC1(C)C[C@](CCNC(=O)N2CCC(C#N)CC2)(c2ccccc2)CCO1 ZINC000426430970 571224601 /nfs/dbraw/zinc/22/46/01/571224601.db2.gz FSSLGWINRITJJN-JOCHJYFZSA-N 0 0 369.509 3.849 50 30 FHEARN N#Cc1c(NC(=S)NC(=O)C=Cc2ccco2)sc2c1CCCC2 ZINC000033335999 571235889 /nfs/dbraw/zinc/23/58/89/571235889.db2.gz SQEORZWQOMUTJT-FPLPWBNLSA-N 0 0 357.460 3.618 50 30 FHEARN N#CCOc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1 ZINC000023228523 571236127 /nfs/dbraw/zinc/23/61/27/571236127.db2.gz BDNDCKBRXVIMTI-UHFFFAOYSA-N 0 0 350.296 3.625 50 30 FHEARN COc1cc(C#N)ccc1OCc1cccc(I)c1 ZINC000004808544 571237117 /nfs/dbraw/zinc/23/71/17/571237117.db2.gz LUJGWNNYYQXJEE-UHFFFAOYSA-N 0 0 365.170 3.750 50 30 FHEARN CCOC(=O)c1ccc(NN=C(C#N)c2nc3ccccc3s2)cc1 ZINC000004812659 571237962 /nfs/dbraw/zinc/23/79/62/571237962.db2.gz LLEXNBXMNAGJKA-PXLXIMEGSA-N 0 0 350.403 3.813 50 30 FHEARN C=CCSc1nnc(NC(=O)c2cccc(Br)c2)s1 ZINC000006736080 571244063 /nfs/dbraw/zinc/24/40/63/571244063.db2.gz KUAHLKWKRFCWEB-UHFFFAOYSA-N 0 0 356.270 3.831 50 30 FHEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1Cc1cccc(Cl)c1 ZINC000064838087 571244366 /nfs/dbraw/zinc/24/43/66/571244366.db2.gz HSJJEDHZDVDOGF-UHFFFAOYSA-N 0 0 355.850 3.662 50 30 FHEARN N#Cc1ccccc1CN1c2ccccc2[C@](O)(c2cccc(Cl)c2)C1=O ZINC000065155487 571255469 /nfs/dbraw/zinc/25/54/69/571255469.db2.gz SWTUKFSTBJSRJI-JOCHJYFZSA-N 0 0 374.827 3.994 50 30 FHEARN C=CCn1c(C)nnc1S[C@H](C)C(=O)Nc1ccc(OC)c(Cl)c1 ZINC000007172121 571262708 /nfs/dbraw/zinc/26/27/08/571262708.db2.gz YYRQUBPXTQVYIG-SNVBAGLBSA-N 0 0 366.874 3.554 50 30 FHEARN C[C@H](C(=O)Nc1cccc(C#N)c1)n1c(-c2cccs2)n[nH]c1=S ZINC000065478201 571263891 /nfs/dbraw/zinc/26/38/91/571263891.db2.gz FKVXSOAIEOZXJA-SNVBAGLBSA-N 0 0 355.448 3.741 50 30 FHEARN CCOCc1ccc(CNC(=O)Nc2cc(C#N)cn2C(C)(C)C)cc1 ZINC000170615446 571268205 /nfs/dbraw/zinc/26/82/05/571268205.db2.gz ASNORLINPGURLX-UHFFFAOYSA-N 0 0 354.454 3.973 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@@H]1c1ccco1 ZINC000170615239 571268220 /nfs/dbraw/zinc/26/82/20/571268220.db2.gz QDCJHQLVMWQXPC-XLIONFOSSA-N 0 0 370.401 3.616 50 30 FHEARN O=C(NCC#Cc1ccccc1)c1ccc(-c2noc(C(F)(F)F)n2)cc1 ZINC000170622999 571269008 /nfs/dbraw/zinc/26/90/08/571269008.db2.gz JYKNELMATHRPOT-UHFFFAOYSA-N 0 0 371.318 3.537 50 30 FHEARN C=CCOc1ccc(/C=C2\N=C(c3cc(OC)cc(OC)c3)OC2=O)cc1 ZINC000014246709 571271740 /nfs/dbraw/zinc/27/17/40/571271740.db2.gz WSHUTGFIEOPODM-GRSHGNNSSA-N 0 0 365.385 3.613 50 30 FHEARN C=CCc1ccc(OCCOc2ccc([N+](=O)[O-])cc2C=O)c(OC)c1 ZINC000002874582 571275835 /nfs/dbraw/zinc/27/58/35/571275835.db2.gz IZFOEADKMRSFJC-UHFFFAOYSA-N 0 0 357.362 3.602 50 30 FHEARN Cc1ccc([C@H](NS(=O)(=O)c2cccc(C#N)c2)c2cccs2)cc1 ZINC000007702488 571286091 /nfs/dbraw/zinc/28/60/91/571286091.db2.gz ZCWOENPIRWBCTI-IBGZPJMESA-N 0 0 368.483 3.996 50 30 FHEARN CC(=O)[C@H]1C(=O)c2ccc([N+](=O)[O-])cc2C1=Nc1ccc2cccnc2c1 ZINC000252617326 571286144 /nfs/dbraw/zinc/28/61/44/571286144.db2.gz KQJZCOPWIYROIQ-GOSISDBHSA-N 0 0 359.341 3.665 50 30 FHEARN N#Cc1ccccc1-c1ccc(C=c2sc3nc4ccccc4n3c2=O)o1 ZINC000252672078 571292308 /nfs/dbraw/zinc/29/23/08/571292308.db2.gz PCMHYWZVBROPFW-UHFFFAOYSA-N 0 0 369.405 3.589 50 30 FHEARN C=C(C)Cn1c2sc3c(c2c(=O)n(-c2cccc(Cl)c2)c1=O)CCC3 ZINC000002236847 571293254 /nfs/dbraw/zinc/29/32/54/571293254.db2.gz BZTPGTQUNJNCFV-UHFFFAOYSA-N 0 0 372.877 3.932 50 30 FHEARN C=CCn1c(N)c(C(=O)Nc2cccc(C)c2)c2nc3ccccc3nc21 ZINC000002295445 571316311 /nfs/dbraw/zinc/31/63/11/571316311.db2.gz HMCFGJJWPQQLPJ-UHFFFAOYSA-N 0 0 357.417 3.913 50 30 FHEARN Cc1nc2c3cc(Cl)ccc3[nH]c2c(=O)n1/N=C/c1ccccc1F ZINC000002300767 571317377 /nfs/dbraw/zinc/31/73/77/571317377.db2.gz DLKZKNQDENZQRG-ZVBGSRNCSA-N 0 0 354.772 3.861 50 30 FHEARN N#Cc1c2c(sc1NC(=S)NC(=O)c1cccnc1)CCCCCC2 ZINC000002316711 571317510 /nfs/dbraw/zinc/31/75/10/571317510.db2.gz KPRHCFAEFBACQA-UHFFFAOYSA-N 0 0 370.503 3.801 50 30 FHEARN CCOc1ccc(NC(=O)N2Cc3cnc(C(C)(C)C)nc3C2)cc1C#N ZINC000299770249 571318824 /nfs/dbraw/zinc/31/88/24/571318824.db2.gz QIWKDQCJCNDLRP-UHFFFAOYSA-N 0 0 365.437 3.592 50 30 FHEARN Cc1cc(C)c(C#N)c(N2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)n1 ZINC000067895988 571321902 /nfs/dbraw/zinc/32/19/02/571321902.db2.gz WEBSGFBMNUWWGQ-UHFFFAOYSA-N 0 0 374.400 3.517 50 30 FHEARN Cc1cc(C)c(C#N)c(Oc2ccc(CN3CCOCC3)c3cccnc23)n1 ZINC000067850912 571321941 /nfs/dbraw/zinc/32/19/41/571321941.db2.gz GVELALRXFQOGRP-UHFFFAOYSA-N 0 0 374.444 3.743 50 30 FHEARN COc1ccc(-c2c(C)oc3cc(OCC#N)ccc3c2=O)cc1OC ZINC000002427553 571321985 /nfs/dbraw/zinc/32/19/85/571321985.db2.gz ZFSMPMDXRIEKEK-UHFFFAOYSA-N 0 0 351.358 3.688 50 30 biogenic FHEARN N#Cc1ccccc1-c1cccc(C(=O)N2CCN(CC(F)(F)F)CC2)c1 ZINC000426535638 571322161 /nfs/dbraw/zinc/32/21/61/571322161.db2.gz QDKAJESMMCKPGX-UHFFFAOYSA-N 0 0 373.378 3.545 50 30 FHEARN COc1ccc(/C=C2\Oc3cc(OC(=O)C(C)C)ccc3C2=O)c(OC)c1 ZINC000012860828 571322771 /nfs/dbraw/zinc/32/27/71/571322771.db2.gz QNAMAEBUPIUPGY-OCKHKDLRSA-N 0 0 368.385 3.881 50 30 FHEARN COc1cc(C#N)ccc1O[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000012945298 571322837 /nfs/dbraw/zinc/32/28/37/571322837.db2.gz SOIKVEQXPMEJCL-LLVKDONJSA-N 0 0 366.333 3.665 50 30 FHEARN COc1cc(C#N)ccc1O[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000012945294 571322849 /nfs/dbraw/zinc/32/28/49/571322849.db2.gz SOIKVEQXPMEJCL-NSHDSACASA-N 0 0 366.333 3.665 50 30 FHEARN Cc1cc(C)n([C@@H]2CCN(C(=O)c3ccc(-c4ccc(C#N)nc4)cc3)C2)n1 ZINC000534590030 571323082 /nfs/dbraw/zinc/32/30/82/571323082.db2.gz UZJIAYHEYYJZSR-OAQYLSRUSA-N 0 0 371.444 3.521 50 30 FHEARN COc1cccc(-c2c(C#N)c(N)nc3c2C[N@H+](Cc2ccccc2)CC3)c1 ZINC000019014895 571323361 /nfs/dbraw/zinc/32/33/61/571323361.db2.gz JKWAODYEHUDNSQ-UHFFFAOYSA-N 0 0 370.456 3.769 50 30 FHEARN CC(=O)Nc1cccc2c1N(S(=O)(=O)c1cccc(CC#N)c1)CCC2 ZINC000328594170 571323654 /nfs/dbraw/zinc/32/36/54/571323654.db2.gz WCTFQXUTTILHPE-UHFFFAOYSA-N 0 0 369.446 3.502 50 30 FHEARN COC(=O)c1c(Cl)ccc(C)c1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000079071850 571326866 /nfs/dbraw/zinc/32/68/66/571326866.db2.gz ZKEMXYJNTKFSMT-GFCCVEGCSA-N 0 0 372.808 3.713 50 30 FHEARN Cc1c2sc3c(c2nc(N)c1C#N)[C@@H](c1ccccc1F)CC(=O)N3 ZINC000020029528 571327806 /nfs/dbraw/zinc/32/78/06/571327806.db2.gz JPCGBHOAFKVTOZ-SNVBAGLBSA-N 0 0 352.394 3.672 50 30 FHEARN CC(=O)c1c(C)nc2n(/N=C/c3ccc([N+](=O)[O-])cc3)c3ccccc3n12 ZINC000020058838 571327831 /nfs/dbraw/zinc/32/78/31/571327831.db2.gz BFXXVFBYGIMNRM-RGVLZGJSSA-N 0 0 361.361 3.590 50 30 FHEARN C[C@H]1C[C@H](C)C[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccncc2)O3)C1 ZINC000020533453 571330766 /nfs/dbraw/zinc/33/07/66/571330766.db2.gz AZCLLDBMUXTTLW-TYHHXOOKSA-N 0 0 364.445 3.881 50 30 FHEARN Cc1cc([O-])c(C[NH+]2CCCCC2)c2c1C(=O)/C(=C/c1cccnc1)O2 ZINC000020589813 571331564 /nfs/dbraw/zinc/33/15/64/571331564.db2.gz UHNQLIFSARUNBB-WQRHYEAKSA-N 0 0 350.418 3.698 50 30 FHEARN COc1ccc(/C=C2\Oc3c(c(C)cc([O-])c3C[NH+]3CCCC3)C2=O)cc1 ZINC000020591408 571331596 /nfs/dbraw/zinc/33/15/96/571331596.db2.gz ZLAYFGAZOJNDHD-UNOMPAQXSA-N 0 0 365.429 3.921 50 30 FHEARN Cn1ncc2c1nc(C1CC1)cc2C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000020606960 571331606 /nfs/dbraw/zinc/33/16/06/571331606.db2.gz RQKOTWSTIIJQQI-UHFFFAOYSA-N 0 0 363.446 3.520 50 30 FHEARN N#Cc1cccc(NC(=O)N[C@H]2CCCc3cn(CC(F)(F)F)nc32)c1 ZINC000096002749 571333768 /nfs/dbraw/zinc/33/37/68/571333768.db2.gz QFMFIRVRFDOERF-AWEZNQCLSA-N 0 0 363.343 3.516 50 30 FHEARN CO[C@H]1CCCN(c2ccc(NC(=O)CCc3ccc(C#N)cc3)cc2)C1 ZINC000096122467 571334550 /nfs/dbraw/zinc/33/45/50/571334550.db2.gz UMTKDOHWQRAILG-NRFANRHFSA-N 0 0 363.461 3.745 50 30 FHEARN O=C(/C=C\c1cnc(-c2ccccc2)nc1)c1cccc(N2CCOC2=O)c1 ZINC000096298114 571335159 /nfs/dbraw/zinc/33/51/59/571335159.db2.gz MJCWKHWSBQMUMJ-KTKRTIGZSA-N 0 0 371.396 3.996 50 30 FHEARN CC1(C)Cc2cccc(OCC(=O)Nc3cc(Cl)ccc3C#N)c2O1 ZINC000021773337 571335945 /nfs/dbraw/zinc/33/59/45/571335945.db2.gz BYMKDBGAJAIDDM-UHFFFAOYSA-N 0 0 356.809 3.943 50 30 FHEARN Cc1ccc(C(=O)C=c2nc3c([nH]c2=O)=CC(Br)=CN3)c(C)c1 ZINC000670416561 571337272 /nfs/dbraw/zinc/33/72/72/571337272.db2.gz LKICSDQAYFQMFI-AUWJEWJLSA-N 0 0 372.222 3.592 50 30 FHEARN COc1ccc2c(C)cc(SCC(=O)N[C@@](C)(C#N)C(C)C)nc2c1 ZINC000002644562 571339976 /nfs/dbraw/zinc/33/99/76/571339976.db2.gz DIMIETLBCOOBFH-IBGZPJMESA-N 0 0 357.479 3.698 50 30 FHEARN N#Cc1cnn2c1N[C@H](c1ccc(Br)cc1)C[C@H]2C(F)F ZINC000002784665 571340971 /nfs/dbraw/zinc/34/09/71/571340971.db2.gz KISWGZAJHNTKJQ-RYUDHWBXSA-N 0 0 353.170 3.880 50 30 FHEARN C[C@H]1CCc2c(C#N)c(NC(=O)Cc3ccccc3[N+](=O)[O-])sc2C1 ZINC000002872597 571341473 /nfs/dbraw/zinc/34/14/73/571341473.db2.gz CBGYOEMMEKGXRN-NSHDSACASA-N 0 0 355.419 3.834 50 30 FHEARN CCOc1ccc(C#N)cc1NC(=O)C1(c2ccccc2)CCOCC1 ZINC000057375295 571343018 /nfs/dbraw/zinc/34/30/18/571343018.db2.gz TVZYCAHJAWTFPL-UHFFFAOYSA-N 0 0 350.418 3.644 50 30 FHEARN C=CCOc1ccccc1/C=C1/C(=O)ON=C1c1cccc([N+](=O)[O-])c1 ZINC000002983448 571343360 /nfs/dbraw/zinc/34/33/60/571343360.db2.gz YXJRJDKXLTYOKO-FOWTUZBSSA-N 0 0 350.330 3.504 50 30 FHEARN Cn1nc(C(F)(F)F)c(/C=N/OCc2ccc([N+](=O)[O-])cc2)c1Cl ZINC000003041182 571343947 /nfs/dbraw/zinc/34/39/47/571343947.db2.gz STZIFSIYBGWWDQ-NGYBGAFCSA-N 0 0 362.695 3.551 50 30 FHEARN CN1c2ccccc2C(C)(C)C1=C(C(=O)C(F)(F)F)C(=O)C(F)(F)F ZINC000003251619 571346167 /nfs/dbraw/zinc/34/61/67/571346167.db2.gz QESKOTLZPJARBH-UHFFFAOYSA-N 0 0 365.273 3.931 50 30 FHEARN N#Cc1ccc(COC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1 ZINC000003260823 571346308 /nfs/dbraw/zinc/34/63/08/571346308.db2.gz UOMGINPCGDBDKN-UHFFFAOYSA-N 0 0 371.392 3.911 50 30 FHEARN N#Cc1cccc(S(=O)(=O)N(CCc2ccccc2)c2ccccc2)c1 ZINC000057994903 571346743 /nfs/dbraw/zinc/34/67/43/571346743.db2.gz RCFTWTZJOJSHEJ-UHFFFAOYSA-N 0 0 362.454 3.996 50 30 FHEARN C=CCOc1ccc(CN[C@@H](c2nccn2C)c2ccccc2)cc1OC ZINC000030643197 571347142 /nfs/dbraw/zinc/34/71/42/571347142.db2.gz KXPJSEWUPMSFIW-OAQYLSRUSA-N 0 0 363.461 3.873 50 30 FHEARN N#Cc1ccc(-c2ccc(OCC(=O)Nc3ccc4c(c3)OCO4)cc2)cc1 ZINC000003350875 571348191 /nfs/dbraw/zinc/34/81/91/571348191.db2.gz YCCQHLYEOFGSLI-UHFFFAOYSA-N 0 0 372.380 3.971 50 30 FHEARN N#Cc1ccc(NC(=O)N(Cc2cccc(O)c2)C2CCC(O)CC2)cc1 ZINC000058192499 571349209 /nfs/dbraw/zinc/34/92/09/571349209.db2.gz HWGNIYQRQQODMA-UHFFFAOYSA-N 0 0 365.433 3.601 50 30 FHEARN COc1ccc(-c2nc(SCc3ccc(C#N)cc3)n[nH]2)c(OC)c1 ZINC000058193363 571349221 /nfs/dbraw/zinc/34/92/21/571349221.db2.gz LVXXNYIXVPYMKQ-UHFFFAOYSA-N 0 0 352.419 3.653 50 30 FHEARN COC[C@H](C)n1c(SCc2ccccc2C#N)nc2ccccc2c1=O ZINC000003542480 571350953 /nfs/dbraw/zinc/35/09/53/571350953.db2.gz VWNIXMFYYSWQJX-AWEZNQCLSA-N 0 0 365.458 3.768 50 30 FHEARN Cc1ccc(C)c(S(=O)(=O)/N=C(\c2ccc(Cl)cc2)N(C)C)c1 ZINC000003893635 571352957 /nfs/dbraw/zinc/35/29/57/571352957.db2.gz IRRCYYGJNJXSIK-HTXNQAPBSA-N 0 0 350.871 3.654 50 30 FHEARN C=CCNC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1Cl ZINC000003900278 571353043 /nfs/dbraw/zinc/35/30/43/571353043.db2.gz FFVRPMQZSMEQSJ-SFRRXYARSA-N 0 0 366.848 3.969 50 30 FHEARN O=C(/C=C/c1ccc(N2CCOCC2)o1)c1ccc(Br)cc1 ZINC000004031498 571354246 /nfs/dbraw/zinc/35/42/46/571354246.db2.gz NQZMLPXZOUHUOQ-FNORWQNLSA-N 0 0 362.223 3.775 50 30 FHEARN N#Cc1c(NC(=O)[C@H]2COc3ccccc3O2)sc2c1CCCCC2 ZINC000004088507 571355072 /nfs/dbraw/zinc/35/50/72/571355072.db2.gz JIUVSOYBEFOPCC-MRXNPFEDSA-N 0 0 354.431 3.667 50 30 FHEARN C=CCOc1ccc(/C=C\C(=O)O[C@H](C)C(=O)N(C)c2ccccc2)cc1 ZINC000097655127 938577745 /nfs/dbraw/zinc/57/77/45/938577745.db2.gz VKAUMUPYPFJKLR-MLRPBERTSA-N 0 0 365.429 3.859 50 30 FHEARN C=CCOc1ccc(/C=C\C(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)cc1 ZINC000097655126 938577860 /nfs/dbraw/zinc/57/78/60/938577860.db2.gz VKAUMUPYPFJKLR-KSVUCXBSSA-N 0 0 365.429 3.859 50 30 FHEARN CCC(=O)Nc1ccc(C2=NN(C)/C(=N\Cc3ccccc3)SC2)cc1 ZINC000013109417 938871223 /nfs/dbraw/zinc/87/12/23/938871223.db2.gz MSSJGZMRGCCCEI-QZQOTICOSA-N 0 0 366.490 3.974 50 30 FHEARN N#C[C@H]1CCC[C@H]1NC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000332892694 945303796 /nfs/dbraw/zinc/30/37/96/945303796.db2.gz GOKFEBJNTWBEFH-RRCSTGOVSA-N 0 0 362.271 3.687 50 30 FHEARN C[C@H](NC(=O)[C@H]1CCC(=O)c2ccccc21)C(=O)N1Cc2ccccc2C1 ZINC000328899379 942199114 /nfs/dbraw/zinc/19/91/14/942199114.db2.gz XHUMVPLMHFYHGW-LIRRHRJNSA-N 0 0 362.429 3.634 50 30 FHEARN CCO[C@@H]1C[C@@H](NC(=O)N2CCC(Cc3cccnc3)CC2)C12CCC2 ZINC000329107775 942244922 /nfs/dbraw/zinc/24/49/22/942244922.db2.gz IDLNMBWDAOJEEQ-RTBURBONSA-N 0 0 357.498 3.598 50 30 FHEARN C[C@@H]([NH+]=C([O-])NC1(C)Cc2ccccc2C1)c1ccc(Br)cn1 ZINC000329983340 944312922 /nfs/dbraw/zinc/31/29/22/944312922.db2.gz BCFBPHKWQMBXIV-GFCCVEGCSA-N 0 0 374.282 3.966 50 30 FHEARN CC(C)(C)[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)C[C@H]1O ZINC000330817710 944372410 /nfs/dbraw/zinc/37/24/10/944372410.db2.gz NEQKBNFXDPKTGB-BZUAXINKSA-N 0 0 372.431 3.803 50 30 FHEARN Cc1cc(F)ccc1[C@@H]1CCCN1S(=O)(=O)CC1(C#N)CCCC1 ZINC000331605349 944456994 /nfs/dbraw/zinc/45/69/94/944456994.db2.gz VRFMLJLOSAZSFZ-KRWDZBQOSA-N 0 0 350.459 3.685 50 30 FHEARN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCC([C@H]2CCCCO2)CC1 ZINC000596630843 946586879 /nfs/dbraw/zinc/58/68/79/946586879.db2.gz AORBGXSOHDGVMU-LEWJYISDSA-N 0 0 367.493 3.926 50 30 FHEARN Cc1cc(OCC(=O)OCc2cn3ccccc3c2C#N)ccc1Cl ZINC000014897424 947091076 /nfs/dbraw/zinc/09/10/76/947091076.db2.gz ALRAEGIEEXNTHN-UHFFFAOYSA-N 0 0 354.793 3.895 50 30 FHEARN Cn1cccc1/C=C1\S/C(=N/c2cccc(Br)c2)NC1=O ZINC000005163111 947524014 /nfs/dbraw/zinc/52/40/14/947524014.db2.gz GHKCTKQDPPBXCX-LCYFTJDESA-N 0 0 362.252 3.679 50 30 FHEARN C[C@@H]1/C(=N/O)C[C@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000013465902 209880098 /nfs/dbraw/zinc/88/00/98/209880098.db2.gz LFGUOKSONBHVJF-WCUNLMCJSA-N 0 0 370.365 3.745 50 30 FHEARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 ZINC000001063976 219361533 /nfs/dbraw/zinc/36/15/33/219361533.db2.gz NOSNRUDHYCPMGV-GOSISDBHSA-N 0 0 370.405 3.514 50 30 FHEARN CCn1ncc([N+](=O)[O-])c1C(=O)Nc1sc2c(c1C#N)CCCCCC2 ZINC000001065980 219363024 /nfs/dbraw/zinc/36/30/24/219363024.db2.gz HYHYDYBJOIHZLS-UHFFFAOYSA-N 0 0 373.438 3.656 50 30 FHEARN COC(=O)c1ccc(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000001056145 219360731 /nfs/dbraw/zinc/36/07/31/219360731.db2.gz XZMWSDKEEMMGGQ-RQZCQDPDSA-N 0 0 363.167 3.895 50 30 FHEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(SC)cc1 ZINC000001101134 219369262 /nfs/dbraw/zinc/36/92/62/219369262.db2.gz NKWNCSSLOCZENM-OAHLLOKOSA-N 0 0 373.474 3.509 50 30 FHEARN N#Cc1ccc(Cl)cc1NC(=O)c1cccnc1O[C@H]1CCSC1 ZINC000225726371 209830584 /nfs/dbraw/zinc/83/05/84/209830584.db2.gz BPLWEBGKAZAKOT-ZDUSSCGKSA-N 0 0 359.838 3.743 50 30 FHEARN N#Cc1ccc(Cl)cc1NC(=O)c1ccnc(O[C@H]2CCSC2)c1 ZINC000225720411 209830653 /nfs/dbraw/zinc/83/06/53/209830653.db2.gz PYJPCVYMBHZJCP-AWEZNQCLSA-N 0 0 359.838 3.743 50 30 FHEARN C=CCC1=C[C@@](OC)(/C(C)=C/c2ccc3c(c2)OCO3)C(OC)=CC1=O ZINC000017917268 291074689 /nfs/dbraw/zinc/07/46/89/291074689.db2.gz AOZTYYBGNNXAOI-ZGQNHIEXSA-N 0 0 354.402 3.819 50 30 biogenic,in-vitro FHEARN O=C(/C(=C/c1cccnc1)c1nc2ccccc2[nH]c1=O)c1cccs1 ZINC000009379020 209591003 /nfs/dbraw/zinc/59/10/03/209591003.db2.gz VEDIQFHXTPSFKI-SDNWHVSQSA-N 0 0 359.410 3.803 50 30 FHEARN N#Cc1ccccc1OCC(=O)Nc1c(F)cc(F)cc1Br ZINC000003348619 209494458 /nfs/dbraw/zinc/49/44/58/209494458.db2.gz LOSUCCZOGLYPGY-UHFFFAOYSA-N 0 0 367.149 3.616 50 30 FHEARN C=CCn1c(S[C@@H](C(=O)OC)c2ccccc2)nc2ccccc2c1=O ZINC000008744748 209474148 /nfs/dbraw/zinc/47/41/48/209474148.db2.gz XKISVUPVFBUQJQ-QGZVFWFLSA-N 0 0 366.442 3.589 50 30 FHEARN CNC(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)c1C#N ZINC000003612374 209407420 /nfs/dbraw/zinc/40/74/20/209407420.db2.gz SRYNOAWPVKJURT-UHFFFAOYSA-N 0 0 369.343 3.616 50 30 FHEARN CCc1nnc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)s1 ZINC000000977018 209385065 /nfs/dbraw/zinc/38/50/65/209385065.db2.gz ZIEJKXVABXQMIN-UHFFFAOYSA-N 0 0 369.475 3.560 50 30 FHEARN COc1ccc([C@@H](C#N)Cc2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000002124054 209394871 /nfs/dbraw/zinc/39/48/71/209394871.db2.gz MFEONICBEYWTEG-OAHLLOKOSA-N 0 0 357.406 3.579 50 30 biogenic FHEARN CCCC(=O)C1=C(Nc2ccccc2OC)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000001234024 209388509 /nfs/dbraw/zinc/38/85/09/209388509.db2.gz SLQTYJXRAVEUFO-SFHVURJKSA-N 0 0 373.449 3.519 50 30 FHEARN C=CCn1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)c2ccccc21 ZINC000000857523 209378591 /nfs/dbraw/zinc/37/85/91/209378591.db2.gz VJMFTFLOJRZRGJ-UHFFFAOYSA-N 0 0 351.402 3.971 50 30 FHEARN Fc1ccc(CON=CNc2ncc3c(n2)-c2ccccc2OC3)cc1 ZINC000008873694 219870740 /nfs/dbraw/zinc/87/07/40/219870740.db2.gz XPMALGPQQOSIBR-UHFFFAOYSA-N 0 0 350.353 3.747 50 30 FHEARN CCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000102909908 209243367 /nfs/dbraw/zinc/24/33/67/209243367.db2.gz HEOBVZWXBWVPFV-HURAESQDSA-N 0 0 354.357 3.658 50 30 FHEARN Cc1ccc(-c2cc3n(c(=N)c2C#N)CCc2cc4c(cc2-3)OCO4)cc1 ZINC000101362426 209225213 /nfs/dbraw/zinc/22/52/13/209225213.db2.gz QKGAOKCPXBHOEK-UHFFFAOYSA-N 0 0 355.397 3.766 50 30 FHEARN CCCCCCCCOC(=O)[C@@H](O)[C@H](O)C(=O)OCCCCCCCC ZINC000101342142 209224336 /nfs/dbraw/zinc/22/43/36/209224336.db2.gz LSFNVBFEFPZYFU-ROUUACIJSA-N 0 0 374.518 3.516 50 30 FHEARN CN=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000101079433 209219903 /nfs/dbraw/zinc/21/99/03/209219903.db2.gz YIIZNABWNNMZSN-OAHLLOKOSA-N 0 0 373.865 3.612 50 30 FHEARN Cc1cc(C)nc(N=NCC2C(=O)CC(c3ccc(F)cc3)CC2=O)n1 ZINC000100125894 209209562 /nfs/dbraw/zinc/20/95/62/209209562.db2.gz UWJSHNXLMLDXFZ-YYLUKMIBSA-N 0 0 354.385 3.589 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccco1 ZINC000097104978 209171081 /nfs/dbraw/zinc/17/10/81/209171081.db2.gz KUNIDKNJJNODQH-JXFKEZNVSA-N 0 0 370.401 3.616 50 30 FHEARN C=CCOc1ccc(/C=C2\CS(=O)(=O)c3ccc(Cl)cc3C2=O)cc1 ZINC000096931819 209162660 /nfs/dbraw/zinc/16/26/60/209162660.db2.gz JDPRPOURFOVRIN-GXDHUFHOSA-N 0 0 374.845 3.958 50 30 FHEARN CCOc1ccc(NC(=O)/C=C\c2ccc(OCC#N)c(OC)c2)cc1 ZINC000096557076 209154666 /nfs/dbraw/zinc/15/46/66/209154666.db2.gz OUGCRVAPHFOJSC-WZUFQYTHSA-N 0 0 352.390 3.648 50 30 FHEARN COc1cc(/C=C2/COc3ccccc3C2=O)cc(OC)c1OC(F)F ZINC000096305141 209150284 /nfs/dbraw/zinc/15/02/84/209150284.db2.gz XBHXAFUCWGNRLJ-GHXNOFRVSA-N 0 0 362.328 3.964 50 30 FHEARN COCCCN(Cc1ccc(OC)cc1)C(=O)Nc1ccc(C)c(C#N)c1 ZINC000096136858 209119376 /nfs/dbraw/zinc/11/93/76/209119376.db2.gz WHSONXRLFJSSJB-UHFFFAOYSA-N 0 0 367.449 3.946 50 30 FHEARN O[C@](C#C[C@@](O)(c1ccccc1)C(F)(F)F)(c1ccccc1)C(F)(F)F ZINC000004348159 206707273 /nfs/dbraw/zinc/70/72/73/206707273.db2.gz CAWQSBSWIGDWAY-HZPDHXFCSA-N 0 0 374.280 3.890 50 30 FHEARN C=CCOc1cc(C(=O)OC)cc2c1Oc1nc3ccccc3nc1O2 ZINC000008716857 206731284 /nfs/dbraw/zinc/73/12/84/206731284.db2.gz SAPLDVFABWJHHQ-UHFFFAOYSA-N 0 0 350.330 3.879 50 30 FHEARN C=CCN1c2ccccc2[C@@](O)(CC(=O)c2ccc3c(c2)CCCC3)C1=O ZINC000000783753 206741071 /nfs/dbraw/zinc/74/10/71/206741071.db2.gz NEULWMBEEIOQMR-QHCPKHFHSA-N 0 0 361.441 3.559 50 30 FHEARN C=CCOc1ccc(/C=C2\N=C(c3cccc(F)c3)OC2=O)cc1OC ZINC000002081130 206741662 /nfs/dbraw/zinc/74/16/62/206741662.db2.gz LSKLWSSGAIBHQW-YBEGLDIGSA-N 0 0 353.349 3.744 50 30 FHEARN COC(=O)C1(NC(=O)c2ccc(C#Cc3ccccc3)cc2)CCCCC1 ZINC000022503886 206749130 /nfs/dbraw/zinc/74/91/30/206749130.db2.gz NZQDASKQMSLCCI-UHFFFAOYSA-N 0 0 361.441 3.692 50 30 FHEARN COc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SC)nn32)c1 ZINC000009011871 206814059 /nfs/dbraw/zinc/81/40/59/206814059.db2.gz JFTOEZDSPAASID-MRXNPFEDSA-N 0 0 370.478 3.667 50 30 FHEARN CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OC(=O)c1cccs1 ZINC000000681163 206824536 /nfs/dbraw/zinc/82/45/36/206824536.db2.gz XBJUGAJTMFCPPS-UKTHLTGXSA-N 0 0 357.387 3.682 50 30 FHEARN COc1ccccc1-c1cc(CC(C)C)nc(N(C(C)=O)C(C)=O)c1C#N ZINC000001085840 206860056 /nfs/dbraw/zinc/86/00/56/206860056.db2.gz ZBACUAIFYHLCCR-UHFFFAOYSA-N 0 0 365.433 3.727 50 30 FHEARN CO/N=C(/CS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000001404660 206880595 /nfs/dbraw/zinc/88/05/95/206880595.db2.gz CNNPNDDQLZCKFO-SDXDJHTJSA-N 0 0 358.246 3.818 50 30 FHEARN COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(F)cc2F)C[C@H]1c1ccccc1 ZINC000001440875 206882966 /nfs/dbraw/zinc/88/29/66/206882966.db2.gz DKJPKGHUDWMGTE-KXBFYZLASA-N 0 0 357.356 3.806 50 30 FHEARN Cn1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)c2ccccc21 ZINC000003028062 206952926 /nfs/dbraw/zinc/95/29/26/206952926.db2.gz JDAHHJSINQSHNT-LSHDLFTRSA-N 0 0 362.458 3.711 50 30 FHEARN CCOC(=O)c1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000004311830 207012889 /nfs/dbraw/zinc/01/28/89/207012889.db2.gz IYGBECVAFHNTGE-UHFFFAOYSA-N 0 0 355.777 3.805 50 30 in-vitro FHEARN CCCOc1c(OC)cccc1[C@@H]1CC(=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000004488921 207022173 /nfs/dbraw/zinc/02/21/73/207022173.db2.gz RKIMGIDJDPXHCG-AWEZNQCLSA-N 0 0 357.450 3.731 50 30 FHEARN CCCC(=O)C1=C(c2ccc(F)cc2)N(C(=O)CCC)n2cnnc2S1 ZINC000004518261 207025468 /nfs/dbraw/zinc/02/54/68/207025468.db2.gz JGAWGTMDMBCOAG-UHFFFAOYSA-N 0 0 374.441 3.526 50 30 FHEARN CCCc1[nH][nH]c(=O)c1[C@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000004631486 207033466 /nfs/dbraw/zinc/03/34/66/207033466.db2.gz KYSCHESGFLCCBN-CQSZACIVSA-N 0 0 359.227 3.626 50 30 FHEARN COc1cccc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)c1O ZINC000004696376 207039258 /nfs/dbraw/zinc/03/92/58/207039258.db2.gz YEJGKUDVZIHDQM-YBEGLDIGSA-N 0 0 354.431 3.909 50 30 FHEARN O=C1C[C@H](c2ccc(F)cc2)CC2=Nc3ncnn3[C@H](c3ccccc3)C12 ZINC000004776967 207047597 /nfs/dbraw/zinc/04/75/97/207047597.db2.gz MXECBZLIJPOJEN-FOIQADDNSA-N 0 0 360.392 3.833 50 30 FHEARN CC1(C)Cc2c(C#N)c(NC(=O)c3ccccc3[N+](=O)[O-])sc2CO1 ZINC000004785795 207048420 /nfs/dbraw/zinc/04/84/20/207048420.db2.gz CMCOQXDZDSCIAD-UHFFFAOYSA-N 0 0 357.391 3.632 50 30 FHEARN CCOc1ccc(/C=C/c2nc(C#N)c(N3C[C@H](C)O[C@@H](C)C3)o2)cc1 ZINC000004839406 207054517 /nfs/dbraw/zinc/05/45/17/207054517.db2.gz SMAADTHPXFACRX-IDZXHDBHSA-N 0 0 353.422 3.729 50 30 FHEARN Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccccn2)cc1 ZINC000004863920 207055118 /nfs/dbraw/zinc/05/51/18/207055118.db2.gz YMYHSYDYLFVGSA-GOSISDBHSA-N 0 0 360.369 3.766 50 30 FHEARN CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cccc(C#N)c2)c1C ZINC000004977742 207068290 /nfs/dbraw/zinc/06/82/90/207068290.db2.gz DKJUIERMAVTBJQ-UHFFFAOYSA-N 0 0 373.412 3.773 50 30 FHEARN COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 ZINC000004915494 207061877 /nfs/dbraw/zinc/06/18/77/207061877.db2.gz YVQQDLFGTUXOPL-YJBOKZPZSA-N 0 0 365.404 3.839 50 30 FHEARN Cc1nc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c(C#N)c(C)c1C ZINC000005089249 207080600 /nfs/dbraw/zinc/08/06/00/207080600.db2.gz KGCIZGKJDSZRNS-CYBMUJFWSA-N 0 0 369.446 3.727 50 30 FHEARN Cn1cccc1/C=C1\S/C(=N/c2ccccc2Br)NC1=O ZINC000005254230 207089979 /nfs/dbraw/zinc/08/99/79/207089979.db2.gz BPYJXZMIXFDBOL-LCYFTJDESA-N 0 0 362.252 3.679 50 30 FHEARN Cc1cc(C)c(C#N)c(SCC(=O)N[C@@H](C)CCc2ccccc2)n1 ZINC000005643256 207110486 /nfs/dbraw/zinc/11/04/86/207110486.db2.gz MCCMXPUEXHTHHR-HNNXBMFYSA-N 0 0 353.491 3.800 50 30 FHEARN N#CCSc1nc2ccc(Cl)cc2c(=O)n1-c1ccc(F)cc1F ZINC000005568682 207106668 /nfs/dbraw/zinc/10/66/68/207106668.db2.gz OYJHCTLUBXDICX-UHFFFAOYSA-N 0 0 363.776 3.933 50 30 FHEARN CCOC(=O)c1ccc(-c2ccc(/C=C3\S/C(=N/C)N(C)C3=O)o2)cc1 ZINC000005598613 207107432 /nfs/dbraw/zinc/10/74/32/207107432.db2.gz SQGJGOPJORHCHF-NIPZQEADSA-N 0 0 370.430 3.655 50 30 FHEARN Cc1cc(C)c(C#N)c(SCC(=O)N(CC(F)(F)F)[C@H](C)C2CC2)n1 ZINC000005643447 207111251 /nfs/dbraw/zinc/11/12/51/207111251.db2.gz GRGFVKTYTZCQEK-GFCCVEGCSA-N 0 0 371.428 3.852 50 30 FHEARN Cc1cc(C)c(C#N)c(SCC(=O)N[C@H](C)CCc2ccccc2)n1 ZINC000005643259 207111188 /nfs/dbraw/zinc/11/11/88/207111188.db2.gz MCCMXPUEXHTHHR-OAHLLOKOSA-N 0 0 353.491 3.800 50 30 FHEARN COc1cc(CN(C)c2ccc([N+](=O)[O-])cc2C#N)ccc1OC(F)F ZINC000005896770 207122129 /nfs/dbraw/zinc/12/21/29/207122129.db2.gz PUNQDXRDXJBYMI-UHFFFAOYSA-N 0 0 363.320 3.713 50 30 FHEARN Cc1cc(C)nc(NC(=NC(=S)Nc2ccccc2)N2CCCCC2)n1 ZINC000006275816 207135604 /nfs/dbraw/zinc/13/56/04/207135604.db2.gz CSSRPHVEMPFHEN-UHFFFAOYSA-N 0 0 368.510 3.965 50 30 FHEARN N#Cc1ccc(NC(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 ZINC000006421190 207139553 /nfs/dbraw/zinc/13/95/53/207139553.db2.gz ZRQPYCYBRMGJNW-RMKNXTFCSA-N 0 0 374.318 3.772 50 30 FHEARN COc1ccc(N2C(=O)/C(=C/c3ccc(C#N)cc3)SC2=S)cc1 ZINC000006170465 207131899 /nfs/dbraw/zinc/13/18/99/207131899.db2.gz ZCCRIICNQHQALC-YBEGLDIGSA-N 0 0 352.440 3.973 50 30 FHEARN N#Cc1ccsc1NC(=O)COc1ccc(F)cc1Br ZINC000006587116 207147812 /nfs/dbraw/zinc/14/78/12/207147812.db2.gz OQHNVKVTQXUNFW-UHFFFAOYSA-N 0 0 355.188 3.539 50 30 FHEARN CCOc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 ZINC000006540398 207145028 /nfs/dbraw/zinc/14/50/28/207145028.db2.gz DBOCTPUUJRTPBT-AWEZNQCLSA-N 0 0 352.390 3.566 50 30 FHEARN O=C1c2ccccc2C2=C1[C@@H](c1ccc3c(c1)OCO3)C1=C(CCCC1=O)N2 ZINC000006664571 207153302 /nfs/dbraw/zinc/15/33/02/207153302.db2.gz XSLCJNBVGDBGBE-IBGZPJMESA-N 0 0 371.392 3.717 50 30 FHEARN CCCN1c2ccccc2/C(=N/NC(=S)Nc2ccccc2CC)C1=O ZINC000006708971 207155751 /nfs/dbraw/zinc/15/57/51/207155751.db2.gz FDAOQVCAOJSECS-PYCFMQQDSA-N 0 0 366.490 3.696 50 30 FHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(C(C)C)cc1 ZINC000006782317 207164376 /nfs/dbraw/zinc/16/43/76/207164376.db2.gz OENSUVZQKUMQDT-GOSISDBHSA-N 0 0 369.417 3.628 50 30 FHEARN C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000006824689 207169751 /nfs/dbraw/zinc/16/97/51/207169751.db2.gz ZJQDOWLBAHNSCT-GOSISDBHSA-N 0 0 374.227 3.832 50 30 FHEARN COc1ccc(OC)c([C@H]2CCCN2c2ccc([N+](=O)[O-])cc2C#N)c1 ZINC000007365981 207194365 /nfs/dbraw/zinc/19/43/65/207194365.db2.gz GCJMVSAVGUTUGH-GOSISDBHSA-N 0 0 353.378 3.825 50 30 FHEARN COc1ccc(C[C@H]2S/C(=N/N=C/c3ccc(Cl)cc3)NC2=O)cc1 ZINC000008208365 207223627 /nfs/dbraw/zinc/22/36/27/207223627.db2.gz QPGRONRDWXHVGJ-MBTVCVBTSA-N 0 0 373.865 3.513 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cccs1 ZINC000008973533 207254130 /nfs/dbraw/zinc/25/41/30/207254130.db2.gz NVHALUAPJQSMDJ-MRXNPFEDSA-N 0 0 351.427 3.880 50 30 FHEARN CC(=O)CSc1nc(C(F)(F)F)c(C(=O)c2cccs2)cc1C#N ZINC000009355627 207268813 /nfs/dbraw/zinc/26/88/13/207268813.db2.gz JVSIDJABLJJWPR-UHFFFAOYSA-N 0 0 370.377 3.946 50 30 FHEARN C=CCn1c(S[C@@H](C)c2nc(C)no2)nc2sc(C)c(C)c2c1=O ZINC000036392758 207280165 /nfs/dbraw/zinc/28/01/65/207280165.db2.gz YMHAEDDGJBFBNX-JTQLQIEISA-N 0 0 362.480 3.806 50 30 FHEARN Cc1cc(C)c(C#N)c(SCC(=O)N[C@H]2CCCc3ccccc32)n1 ZINC000010266898 207297964 /nfs/dbraw/zinc/29/79/64/207297964.db2.gz ALLVDOFHVSVBAU-SFHVURJKSA-N 0 0 351.475 3.856 50 30 FHEARN COc1ccc2cc(CNC(=O)[C@H](C)Oc3ccc(C#N)cc3)ccc2c1 ZINC000009939663 207291032 /nfs/dbraw/zinc/29/10/32/207291032.db2.gz DWCBXTZRXFCYRP-HNNXBMFYSA-N 0 0 360.413 3.804 50 30 FHEARN N#Cc1cccc(S(=O)(=O)N2CCC(CCc3ccccc3)CC2)c1 ZINC000010680693 207304640 /nfs/dbraw/zinc/30/46/40/207304640.db2.gz JSGHSBVWWXKSCI-UHFFFAOYSA-N 0 0 354.475 3.592 50 30 FHEARN CCn1c(SCCOc2ccc(C#N)cc2)nnc1-c1ccoc1C ZINC000011877659 207327562 /nfs/dbraw/zinc/32/75/62/207327562.db2.gz RHJCCDNTSVXPGB-UHFFFAOYSA-N 0 0 354.435 3.909 50 30 FHEARN CC(=O)[C@@H](C(=O)Nc1ccc(F)cc1)[C@@H](c1ccc(F)cc1)C(C#N)C#N ZINC000012379253 207368331 /nfs/dbraw/zinc/36/83/31/207368331.db2.gz QMPVYGCTGXENIZ-MOPGFXCFSA-N 0 0 367.355 3.556 50 30 FHEARN CCN(/N=C/c1ccc(NC(C)=O)cc1)c1cc(C)c(C#N)c(Cl)n1 ZINC000012411815 207370913 /nfs/dbraw/zinc/37/09/13/207370913.db2.gz RBUVRMQUVZADBZ-SRZZPIQSSA-N 0 0 355.829 3.734 50 30 FHEARN N#Cc1ccc(OCC(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1 ZINC000012530046 207386988 /nfs/dbraw/zinc/38/69/88/207386988.db2.gz NUKOADAUJNKOSU-UHFFFAOYSA-N 0 0 374.425 3.952 50 30 FHEARN N#Cc1c(N)n[nH]c1CCCNc1nc(-c2ccccc2)nc2ccccc21 ZINC000015517510 207554066 /nfs/dbraw/zinc/55/40/66/207554066.db2.gz YLLCVJDFPWYZJP-UHFFFAOYSA-N 0 0 369.432 3.518 50 30 FHEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC ZINC000019315216 207656145 /nfs/dbraw/zinc/65/61/45/207656145.db2.gz GMMXRBKMKLBEGT-SFHVURJKSA-N 0 0 355.434 3.616 50 30 FHEARN Cc1ccc(S(=O)(=O)OCP(=O)(OC(C)C)OC(C)C)cc1 ZINC000021948534 207789703 /nfs/dbraw/zinc/78/97/03/207789703.db2.gz ZAAQMNVHSKISRP-UHFFFAOYSA-N 0 0 350.373 3.701 50 30 FHEARN Cc1ccc2c(C(=O)N3CCC[C@@H](C#N)C3)cc(-c3cnn(C)c3)nc2c1C ZINC000023232257 207840593 /nfs/dbraw/zinc/84/05/93/207840593.db2.gz BEUZPJBKZOJTAV-INIZCTEOSA-N 0 0 373.460 3.628 50 30 FHEARN CCN(CC)C(=O)c1c(C)nc(SCCOC)c(C#N)c1-c1ccco1 ZINC000032842608 208049730 /nfs/dbraw/zinc/04/97/30/208049730.db2.gz MIMMFGJGEFJPHE-UHFFFAOYSA-N 0 0 373.478 3.742 50 30 FHEARN CC(=O)c1ccc(O[C@H](C)C(=O)OCc2cn3ccccc3c2C#N)cc1 ZINC000032895766 208051953 /nfs/dbraw/zinc/05/19/53/208051953.db2.gz HWRPBMBNAWJGSJ-OAHLLOKOSA-N 0 0 362.385 3.524 50 30 FHEARN N#Cc1cccc(NC(=O)c2ccc(F)cc2I)c1 ZINC000031676920 208015881 /nfs/dbraw/zinc/01/58/81/208015881.db2.gz FUVJEEBLTVACMB-UHFFFAOYSA-N 0 0 366.133 3.554 50 30 FHEARN CCN(CC)S(=O)(=O)c1ccc(C)c(NCc2ccc(C#N)cc2)c1 ZINC000032797242 208044271 /nfs/dbraw/zinc/04/42/71/208044271.db2.gz PTKFWYCBVLHLSE-UHFFFAOYSA-N 0 0 357.479 3.509 50 30 FHEARN C[C@H](OC(=O)c1cc2ccccc2o1)C(=O)N(CCC#N)c1ccccc1 ZINC000032910827 208056781 /nfs/dbraw/zinc/05/67/81/208056781.db2.gz UCNPYCLWINOWEZ-HNNXBMFYSA-N 0 0 362.385 3.925 50 30 FHEARN N#Cc1ccc(CN2CCN(C(=O)C3(c4ccccc4)CCCC3)CC2)cc1 ZINC000032986505 208063266 /nfs/dbraw/zinc/06/32/66/208063266.db2.gz FAXZDYWATDSTTD-UHFFFAOYSA-N 0 0 373.500 3.714 50 30 FHEARN COc1cc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc(OC)c1OC ZINC000035851617 208137417 /nfs/dbraw/zinc/13/74/17/208137417.db2.gz IBCASAMHMVDEHM-UHFFFAOYSA-N 0 0 367.449 3.887 50 30 FHEARN CC(C)CCN1C(N)=C(c2nc(-c3ccc(C#N)cc3)cs2)C(=O)[C@H]1C ZINC000034769764 208108710 /nfs/dbraw/zinc/10/87/10/208108710.db2.gz UULAACHLQMETLH-CYBMUJFWSA-N 0 0 366.490 3.628 50 30 FHEARN CSc1nnc(C(F)F)n1/N=C/c1cc(Br)cs1 ZINC000036611326 208165733 /nfs/dbraw/zinc/16/57/33/208165733.db2.gz MDTVMCNCUFYZNI-QLKAYGNNSA-N 0 0 353.217 3.644 50 30 FHEARN CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1coc(-c2ccccc2)n1 ZINC000036858715 208174451 /nfs/dbraw/zinc/17/44/51/208174451.db2.gz MHYAHPWLXDUNIA-MFOYZWKCSA-N 0 0 356.447 3.874 50 30 FHEARN C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2cccc3ccccc32)C1=O ZINC000039570144 208214641 /nfs/dbraw/zinc/21/46/41/208214641.db2.gz YCAVJVPHYWBSSV-JOCHJYFZSA-N 0 0 355.397 3.679 50 30 FHEARN CC(C)[C@](C)(C#N)NC(=O)CNc1ccc(Br)cc1Cl ZINC000040009475 208217610 /nfs/dbraw/zinc/21/76/10/208217610.db2.gz FJFHGWCPWVMFDB-AWEZNQCLSA-N 0 0 358.667 3.569 50 30 FHEARN Cn1ncc2c1CC/C(=C/c1ccc(OCc3cscn3)cc1)C2=O ZINC000040116039 208228848 /nfs/dbraw/zinc/22/88/48/208228848.db2.gz DGRYTFWGVYSVFP-ZSOIEALJSA-N 0 0 351.431 3.668 50 30 FHEARN COCCOc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000044027714 208308538 /nfs/dbraw/zinc/30/85/38/208308538.db2.gz XCPGBZPPJPCBQO-BJMVGYQFSA-N 0 0 372.417 3.634 50 30 FHEARN C=CCNc1nc(C(=O)OCc2cc(C(C)=O)ccc2OCC)cs1 ZINC000003527732 208286798 /nfs/dbraw/zinc/28/67/98/208286798.db2.gz KTCQRICUEWRKAT-UHFFFAOYSA-N 0 0 360.435 3.699 50 30 FHEARN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]2CCC[C@@H](C)[C@@H]21 ZINC000057068314 208499445 /nfs/dbraw/zinc/49/94/45/208499445.db2.gz ZSUNPDNTZRFPDR-YWMUFLPLSA-N 0 0 356.514 3.773 50 30 FHEARN CC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1Cl ZINC000020849381 220342385 /nfs/dbraw/zinc/34/23/85/220342385.db2.gz VGYQNZZKKLYACX-UZYVYHOESA-N 0 0 356.765 3.717 50 30 FHEARN N#Cc1cccc(NC(=O)N2CCC[C@@H]2c2nc(-c3ccccc3)no2)c1 ZINC000077394474 208905213 /nfs/dbraw/zinc/90/52/13/208905213.db2.gz PVCKMEYMCYLCLI-QGZVFWFLSA-N 0 0 359.389 3.977 50 30 FHEARN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000096004132 209095518 /nfs/dbraw/zinc/09/55/18/209095518.db2.gz WVKVGXUWSWGIPU-XHDPSFHLSA-N 0 0 363.343 3.705 50 30 FHEARN O=C(Cn1ccc2cc(Br)ccc21)Nc1nnc(C2CC2)[nH]1 ZINC000095474715 209056773 /nfs/dbraw/zinc/05/67/73/209056773.db2.gz CWHVOHUKTWVMCP-UHFFFAOYSA-N 0 0 360.215 3.688 50 30 FHEARN Cn1cc(C=C2SC(=O)N=C2Nc2cccc(Br)c2)cn1 ZINC000095472699 209056920 /nfs/dbraw/zinc/05/69/20/209056920.db2.gz YHSGVWCDTIBLGF-LFYBBSHMSA-N 0 0 363.240 3.915 50 30 FHEARN Cc1cccc([C@@]2(O)c3ccccc3N(Cc3ccccc3C#N)C2=O)c1 ZINC000065155002 221173925 /nfs/dbraw/zinc/17/39/25/221173925.db2.gz HUMVOCWNOGLXMY-HSZRJFAPSA-N 0 0 354.409 3.649 50 30 FHEARN N#Cc1c2c(sc1NC(=O)c1cncc(Br)c1)CCCC2 ZINC000000939863 209484900 /nfs/dbraw/zinc/48/49/00/209484900.db2.gz AZWITZGFJVOVSD-UHFFFAOYSA-N 0 0 362.252 3.908 50 30 FHEARN Cc1cc(C)c(C#N)c(N2CCC(c3nccn3Cc3ccncc3)CC2)n1 ZINC000091381030 132201482 /nfs/dbraw/zinc/20/14/82/132201482.db2.gz IUASSVJBFWWIJG-UHFFFAOYSA-N 0 0 372.476 3.594 50 30 FHEARN Cc1nn(-c2ccccc2)c(C)c1/C=N/N1CCN(c2ccccc2)CC1 ZINC000000946024 132379305 /nfs/dbraw/zinc/37/93/05/132379305.db2.gz ITEMLMXMYOMKQF-HAVVHWLPSA-N 0 0 359.477 3.645 50 30 FHEARN C[C@@H]1CC(=O)C=C(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 ZINC000033691479 132933516 /nfs/dbraw/zinc/93/35/16/132933516.db2.gz LWHTZJIOBCVPPM-NSHDSACASA-N 0 0 373.806 3.759 50 30 FHEARN N#Cc1cnc2ccccc2c1N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000064473500 136133167 /nfs/dbraw/zinc/13/31/67/136133167.db2.gz PLTNHMMYBQQHEX-UHFFFAOYSA-N 0 0 356.429 3.962 50 30 FHEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccco1)c1ccc(F)cc1 ZINC000005409212 263341373 /nfs/dbraw/zinc/34/13/73/263341373.db2.gz AVDNOPLQNQRYKG-QGZVFWFLSA-N 0 0 367.332 3.790 50 30 FHEARN C=CCOc1c(Br)cc(CNCc2ccccn2)cc1OC ZINC000006701111 263346491 /nfs/dbraw/zinc/34/64/91/263346491.db2.gz QKKPTDBAEPBUJX-UHFFFAOYSA-N 0 0 363.255 3.707 50 30 FHEARN C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1cccs1 ZINC000006697621 263346721 /nfs/dbraw/zinc/34/67/21/263346721.db2.gz RDKLPBFQQOOXFD-UHFFFAOYSA-N 0 0 355.419 3.635 50 30 FHEARN C=CCOc1cccc(C(=O)NC[C@H]2CC(Cc3cccc(F)c3)=NO2)c1 ZINC000011967748 263369542 /nfs/dbraw/zinc/36/95/42/263369542.db2.gz XDEBLGZSBYVMDE-HXUWFJFHSA-N 0 0 368.408 3.508 50 30 FHEARN CCOc1cc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)ccc1O ZINC000012411485 263370548 /nfs/dbraw/zinc/37/05/48/263370548.db2.gz GSMSHLLKVKVLLZ-HYARGMPZSA-N 0 0 373.884 3.596 50 30 FHEARN C/C(=N/N1CCN(Cc2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000019773100 263376234 /nfs/dbraw/zinc/37/62/34/263376234.db2.gz ICAFQYJYPKANBZ-QNGOZBTKSA-N 0 0 372.856 3.790 50 30 FHEARN CC(=O)c1ccc(OCC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 ZINC000031082196 263391088 /nfs/dbraw/zinc/39/10/88/263391088.db2.gz ULFYHKAYFCSTHP-UHFFFAOYSA-N 0 0 370.408 3.702 50 30 FHEARN Cc1nc([C@@H]2CCCN(C(=O)c3cccc(-c4ccccc4C#N)c3)C2)no1 ZINC000426596499 263641784 /nfs/dbraw/zinc/64/17/84/263641784.db2.gz MZGLPOQYMMKCKC-LJQANCHMSA-N 0 0 372.428 3.937 50 30 FHEARN C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000060163543 518259869 /nfs/dbraw/zinc/25/98/69/518259869.db2.gz ZOIWOYNPWIAYAV-UHFFFAOYSA-N 0 0 361.420 3.904 50 30 FHEARN C#CCO[S@@](=O)O[C@@H]1CCCC[C@@H]1Oc1ccc(C(C)(C)C)cc1 ZINC000100095711 518315970 /nfs/dbraw/zinc/31/59/70/518315970.db2.gz ZYHMJXZULPZUED-RHGYRFJNSA-N 0 0 350.480 3.919 50 30 in-vitro FHEARN C#CCn1c2c(cccc2OCC)s/c1=N\C(=O)c1ccc(F)cc1 ZINC000100909883 518341118 /nfs/dbraw/zinc/34/11/18/518341118.db2.gz OESWRPMNNFUPQK-VZCXRCSSSA-N 0 0 354.406 3.615 50 30 FHEARN C=C(C)[C@@H]1C[C@@H](C)[C@](C)([C@H]2C[C@@H]3CCO[C@@H]3O2)C(=O)[C@@]1(C#N)CCC(C)=O ZINC000261491217 518643999 /nfs/dbraw/zinc/64/39/99/518643999.db2.gz LKBXZGOYUUFKQX-JQNJJCLUSA-N 0 0 373.493 3.825 50 30 FHEARN C=CCN(Cc1ccc(Cl)s1)Cc1cc(=O)n2ccc(C)cc2n1 ZINC000016341615 518780775 /nfs/dbraw/zinc/78/07/75/518780775.db2.gz ZGNZMKFAFGVTCU-UHFFFAOYSA-N 0 0 359.882 3.906 50 30 FHEARN C=CCN1c2ccccc2[C@@](O)(CC(=O)c2c(C)c(C)cc(C)c2C)C1=O ZINC000002857963 518877408 /nfs/dbraw/zinc/87/74/08/518877408.db2.gz XRTWYXHWHCIHLR-QHCPKHFHSA-N 0 0 363.457 3.913 50 30 FHEARN C=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCC)cc1 ZINC000037557524 518902958 /nfs/dbraw/zinc/90/29/58/518902958.db2.gz RYMZSICKCWYAHP-UHFFFAOYSA-N 0 0 365.477 3.576 50 30 FHEARN C=CCNc1nnc(S[C@@H](C)C(=O)NCCC2=CCCCC2)s1 ZINC000005784139 518967573 /nfs/dbraw/zinc/96/75/73/518967573.db2.gz CJZRAAUUYSGZKX-LBPRGKRZSA-N 0 0 352.529 3.623 50 30 FHEARN C=CCOc1ccc(C(=O)OCc2cn3cc(Cl)ccc3n2)cc1OC ZINC000025049861 519028197 /nfs/dbraw/zinc/02/81/97/519028197.db2.gz CELHLAPPGARKTK-UHFFFAOYSA-N 0 0 372.808 3.918 50 30 FHEARN C=CCc1cc(Cl)ccc1OCCOCCN1C[C@@H](C)O[C@H](C)C1 ZINC000020167756 519131736 /nfs/dbraw/zinc/13/17/36/519131736.db2.gz YGSMKKXXHUIXGQ-HZPDHXFCSA-N 0 0 353.890 3.573 50 30 FHEARN C=CCc1cc(Cl)ccc1OCCOCCN1C[C@H](C)O[C@@H](C)C1 ZINC000020167761 519132887 /nfs/dbraw/zinc/13/28/87/519132887.db2.gz YGSMKKXXHUIXGQ-HOTGVXAUSA-N 0 0 353.890 3.573 50 30 FHEARN C=CCc1cccc(OC)c1OCCCn1cnc2ccccc2c1=O ZINC000003003808 519142662 /nfs/dbraw/zinc/14/26/62/519142662.db2.gz NZKVLCXFIDMQFV-UHFFFAOYSA-N 0 0 350.418 3.603 50 30 FHEARN C=CCn1c(C)cc(-c2csc(CC(=O)NCc3ccco3)n2)c1C ZINC000036391793 519167491 /nfs/dbraw/zinc/16/74/91/519167491.db2.gz MLOIZBKFGUHHNV-UHFFFAOYSA-N 0 0 355.463 3.866 50 30 FHEARN C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccco1 ZINC000008935431 519208629 /nfs/dbraw/zinc/20/86/29/519208629.db2.gz YGXQVYDTOFUAKM-CQSZACIVSA-N 0 0 368.462 3.694 50 30 FHEARN C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1cccnc1 ZINC000002245377 519232399 /nfs/dbraw/zinc/23/23/99/519232399.db2.gz CYGPQKUZOGWGRE-UHFFFAOYSA-N 0 0 366.446 3.510 50 30 FHEARN CC(C)COc1nc2ccccc2nc1[C@@H](C#N)C(=O)NCc1ccccc1 ZINC000005451929 519765875 /nfs/dbraw/zinc/76/58/75/519765875.db2.gz KIFIQDXJONLFAS-QGZVFWFLSA-N 0 0 374.444 3.588 50 30 FHEARN CC(C)[C@](C)(C#N)NC(=O)COC(=O)CSc1ccc2ccccc2c1 ZINC000007779238 519829072 /nfs/dbraw/zinc/82/90/72/519829072.db2.gz QSNHOSMDACULNY-FQEVSTJZSA-N 0 0 370.474 3.530 50 30 FHEARN CCCCCCCCCCS(=O)(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000008680443 520023737 /nfs/dbraw/zinc/02/37/37/520023737.db2.gz XNNRMSXIGJBYEO-OBGWFSINSA-N 0 0 369.487 3.989 50 30 FHEARN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(CC)cc2)C1=O ZINC000098050536 520067575 /nfs/dbraw/zinc/06/75/75/520067575.db2.gz CRVKPKPMMINFKN-HXUWFJFHSA-N 0 0 359.470 3.565 50 30 FHEARN CCCCCCC[C@@]1(C)NC(=O)N(N=c2nc[nH]c3sccc32)C1=O ZINC000098050260 520068289 /nfs/dbraw/zinc/06/82/89/520068289.db2.gz FKZLVSNJNCMOEZ-QGZVFWFLSA-N 0 0 361.471 3.689 50 30 FHEARN CCCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCC1 ZINC000002306531 520090238 /nfs/dbraw/zinc/09/02/38/520090238.db2.gz GVYUAJWHAXPHER-MRXNPFEDSA-N 0 0 365.481 3.534 50 30 FHEARN CCOC(=O)C1=C(C)NC(=Cc2ccccc2OCc2ccccc2)C1=O ZINC000033340015 520479996 /nfs/dbraw/zinc/47/99/96/520479996.db2.gz BJGVHFQECBKFPO-AQTBWJFISA-N 0 0 363.413 3.616 50 30 FHEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 ZINC000102623359 520558850 /nfs/dbraw/zinc/55/88/50/520558850.db2.gz WOQNFIGANJVPAY-WOOAAIBNSA-N 0 0 365.429 3.917 50 30 FHEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccco2)C2=C(CCCC2=O)N1 ZINC000019790648 520827430 /nfs/dbraw/zinc/82/74/30/520827430.db2.gz ZLDPZPCLUAMEJE-NRFANRHFSA-N 0 0 363.413 3.991 50 30 FHEARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O ZINC000005967414 521034704 /nfs/dbraw/zinc/03/47/04/521034704.db2.gz DOHVUBFOZRDMMX-AXLWCPOOSA-N 0 0 352.386 3.942 50 30 FHEARN CCOC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C=O)[C@@H]3CC[C@@]12C ZINC000254702243 521134556 /nfs/dbraw/zinc/13/45/56/521134556.db2.gz TUNNPNUOPZXPEB-UAOWYBJRSA-N 0 0 358.478 3.877 50 30 FHEARN CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)OCC#N)c2)cc1 ZINC000011231340 521286587 /nfs/dbraw/zinc/28/65/87/521286587.db2.gz KQGLOASXNNYONY-UHFFFAOYSA-N 0 0 372.446 3.510 50 30 FHEARN CCOc1ccccc1/C=N/N1CCN(Cc2ccc(C)cc2C)CC1 ZINC000020171905 521448881 /nfs/dbraw/zinc/44/88/81/521448881.db2.gz URTWBKXLPPUMHF-XQNSMLJCSA-N 0 0 351.494 3.854 50 30 FHEARN CCCN(CCC#N)C(=O)c1nc(-c2ccco2)n(-c2cccc(C)c2)n1 ZINC000034911521 521628129 /nfs/dbraw/zinc/62/81/29/521628129.db2.gz LEAHVJMYTPKXBE-UHFFFAOYSA-N 0 0 363.421 3.602 50 30 FHEARN COc1cc(/C=C/C(=O)N[C@H](C)c2ccccc2C)ccc1OCC#N ZINC000015686330 521932626 /nfs/dbraw/zinc/93/26/26/521932626.db2.gz YGJFKBFGFKVMGW-PXUDHTSWSA-N 0 0 350.418 3.797 50 30 FHEARN COc1cc(/C=C\C(=O)NCc2cccc(Cl)c2)ccc1OCC#N ZINC000033504486 521978967 /nfs/dbraw/zinc/97/89/67/521978967.db2.gz OHLMPUGHZZMZHL-VURMDHGXSA-N 0 0 356.809 3.581 50 30 FHEARN CN(C)c1ccc(C(Br)N=Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000245239835 522157695 /nfs/dbraw/zinc/15/76/95/522157695.db2.gz MNLSYABWFCWILX-UHFFFAOYSA-N 0 0 363.215 3.829 50 30 FHEARN COC(=O)c1occc1/C=C\C(=O)c1ccc(F)c(Br)c1 ZINC000096931905 522409043 /nfs/dbraw/zinc/40/90/43/522409043.db2.gz MUCLKOASANWCHX-HYXAFXHYSA-N 0 0 353.143 3.864 50 30 FHEARN COC(=O)C(CC(=O)c1ccccc1)=Nc1ccc(Br)cc1 ZINC000100624684 522739851 /nfs/dbraw/zinc/73/98/51/522739851.db2.gz CHKNWOHQCOLVBF-PTNGSMBKSA-N 0 0 360.207 3.801 50 30 FHEARN CN(Cc1cc(C2CC2)on1)C(=O)CC1=C(c2ccccc2)CCC1=O ZINC000299755776 523172157 /nfs/dbraw/zinc/17/21/57/523172157.db2.gz DMSGUYYLPOLOQT-UHFFFAOYSA-N 0 0 350.418 3.717 50 30 FHEARN COc1ccc(/C(C)=N/N=C(\C)c2ccc(OC)c(OC)c2)cc1OC ZINC000005725210 523360697 /nfs/dbraw/zinc/36/06/97/523360697.db2.gz OTYRBWJIMLILDC-JFMUQQRKSA-N 0 0 356.422 3.954 50 30 FHEARN CCc1c(C#N)c(N)nc(SCC(=O)c2ccc(Cl)cc2)c1C#N ZINC000019867710 523679503 /nfs/dbraw/zinc/67/95/03/523679503.db2.gz AAMOYCYJVYEOQP-UHFFFAOYSA-N 0 0 356.838 3.598 50 30 FHEARN COc1ccc(C=NNc2ccccc2C)cc1Cn1cc([N+](=O)[O-])cn1 ZINC000252680153 523883529 /nfs/dbraw/zinc/88/35/29/523883529.db2.gz WQMVVNRWKMPWSC-UHFFFAOYSA-N 0 0 365.393 3.603 50 30 FHEARN COc1ccccc1C(=O)ONC(=N)Cc1ccc(Cl)cc1Cl ZINC000004905754 524360259 /nfs/dbraw/zinc/36/02/59/524360259.db2.gz MGGBGHPSRGHWGB-UHFFFAOYSA-N 0 0 353.205 3.674 50 30 FHEARN Cc1ccccc1C=NN1C(=S)N=NC1c1cc(-c2ccccc2)n[nH]1 ZINC000006785885 525041354 /nfs/dbraw/zinc/04/13/54/525041354.db2.gz UYSWFMBILFYPLU-UDWIEESQSA-N 0 0 360.446 3.815 50 30 FHEARN CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2ccc3ncccc3c2)cc1 ZINC000006362131 525217471 /nfs/dbraw/zinc/21/74/71/525217471.db2.gz RWSWQJOCFNSYMV-VZUCSPMQSA-N 0 0 352.415 3.502 50 30 FHEARN COc1cccc(-c2nc(COC(=O)C3(C#N)CCCC3)cs2)c1OC ZINC000058030086 525725018 /nfs/dbraw/zinc/72/50/18/525725018.db2.gz UVRNLHVYJDUVPA-UHFFFAOYSA-N 0 0 372.446 3.954 50 30 FHEARN Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N[C@](C)(C#N)C1CC1 ZINC000008231629 525750790 /nfs/dbraw/zinc/75/07/90/525750790.db2.gz PRBBOKFVRPWQCE-GOSISDBHSA-N 0 0 374.897 3.735 50 30 FHEARN COc1cccc(N(CCC#N)C(=O)/C=C\c2cccc(OC)c2OC)c1 ZINC000033729847 526135715 /nfs/dbraw/zinc/13/57/15/526135715.db2.gz BUTUEGBZTTYCFI-QXMHVHEDSA-N 0 0 366.417 3.672 50 30 FHEARN Cc1ccc(C(=O)OCC#CCSc2nc3ccccc3n2C)cc1 ZINC000014011245 526237310 /nfs/dbraw/zinc/23/73/10/526237310.db2.gz GJCPOMPQWGYTJW-UHFFFAOYSA-N 0 0 350.443 3.834 50 30 FHEARN Cc1csc(Cn2ccc(-c3cccc(-c4nccnc4C#N)c3)n2)n1 ZINC000020232564 526369463 /nfs/dbraw/zinc/36/94/63/526369463.db2.gz FXRYUUJFOLTFTR-UHFFFAOYSA-N 0 0 358.430 3.692 50 30 FHEARN S=C(NCCc1ccccc1)N1CCS/C1=N\CCc1ccccc1 ZINC000005937685 526384376 /nfs/dbraw/zinc/38/43/76/526384376.db2.gz VZUMPXUBHWSSSP-XDOYNYLZSA-N 0 0 369.559 3.751 50 30 FHEARN O=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1ccc(F)cc1 ZINC000002240269 526415189 /nfs/dbraw/zinc/41/51/89/526415189.db2.gz MMDUVFPGWUJNOE-UHFFFAOYSA-N 0 0 368.389 3.828 50 30 FHEARN O=C(OCC#CCSc1nc2ccccc2o1)c1cccc([N+](=O)[O-])c1 ZINC000002195036 526415867 /nfs/dbraw/zinc/41/58/67/526415867.db2.gz OHUFWAVESAZFAP-UHFFFAOYSA-N 0 0 368.370 3.689 50 30 FHEARN O=C(OCC#CCSc1nc2ccccc2o1)c1ccc([N+](=O)[O-])cc1 ZINC000002459051 526416226 /nfs/dbraw/zinc/41/62/26/526416226.db2.gz ZFRZNOBNNTUPJQ-UHFFFAOYSA-N 0 0 368.370 3.689 50 30 FHEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)C2CC2)[C@H]1c1ccco1 ZINC000239310101 526430615 /nfs/dbraw/zinc/43/06/15/526430615.db2.gz IBMRZRRRACSWAL-AQNXPRMDSA-N 0 0 355.397 3.660 50 30 FHEARN N#C[C@H](COC(=O)c1cccc(NC(=O)C2CC2)c1)Cc1cccs1 ZINC000089779604 526509202 /nfs/dbraw/zinc/50/92/02/526509202.db2.gz SDUULMQCLRVFDG-CYBMUJFWSA-N 0 0 354.431 3.636 50 30 FHEARN N#Cc1cccnc1-c1cccc(-c2ccn(Cc3noc(C4CC4)n3)n2)c1 ZINC000019841236 526751625 /nfs/dbraw/zinc/75/16/25/526751625.db2.gz ASRVHUHBHLDORV-UHFFFAOYSA-N 0 0 368.400 3.792 50 30 FHEARN O=C(c1cccs1)C1=C(O)C(=O)N[C@H]1c1ccc(Cl)cc1Cl ZINC000015921904 526835110 /nfs/dbraw/zinc/83/51/10/526835110.db2.gz IJHCVZIIKVFHNS-LBPRGKRZSA-N 0 0 354.214 3.921 50 30 FHEARN Cc1onc(-c2c(F)cccc2Cl)c1C(=N)NOC(=O)c1ccco1 ZINC000004382468 526842720 /nfs/dbraw/zinc/84/27/20/526842720.db2.gz MFNHYRDLLXPZLO-UHFFFAOYSA-N 0 0 363.732 3.513 50 30 FHEARN O=C1CS/C(=N\c2cnn(Cc3cccc(F)c3)c2)N1C1CCCCC1 ZINC000017076290 527015060 /nfs/dbraw/zinc/01/50/60/527015060.db2.gz DPTDSLHHSQFYRD-QOCHGBHMSA-N 0 0 372.469 3.966 50 30 FHEARN O=[N+]([O-])c1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)c1 ZINC000252429395 527385113 /nfs/dbraw/zinc/38/51/13/527385113.db2.gz KNCDLUMHIZRQAR-UHFFFAOYSA-N 0 0 359.798 3.678 50 30 FHEARN O=c1c2ccccc2nc(N=NCc2ccc(F)cc2)n1-c1ccccc1 ZINC000004763452 527465503 /nfs/dbraw/zinc/46/55/03/527465503.db2.gz DSZIMXHAGXBWOO-OEAKJJBVSA-N 0 0 358.376 3.971 50 30 FHEARN COc1ccccc1N1CCN(/N=C\c2ccccc2Br)CC1 ZINC000005052567 537062950 /nfs/dbraw/zinc/06/29/50/537062950.db2.gz MOZZWGGKJFQSBG-ZHZULCJRSA-N 0 0 374.282 3.614 50 30 FHEARN CCOc1ccc(C=CC(=O)C2=CN(C)C(=O)N[C@H]2c2ccccc2)cc1 ZINC000012296365 568097759 /nfs/dbraw/zinc/09/77/59/568097759.db2.gz BSNJBJABIOPHIL-KVDXNUTJSA-N 0 0 362.429 3.948 50 30 FHEARN Cc1ccccc1OCc1nc(C#N)c(NCc2ccc3c(c2)OCO3)o1 ZINC000000730242 568160019 /nfs/dbraw/zinc/16/00/19/568160019.db2.gz KSMOCUQCHGMZJJ-UHFFFAOYSA-N 0 0 363.373 3.775 50 30 FHEARN O=C(c1ccco1)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccco1 ZINC000000796025 568237597 /nfs/dbraw/zinc/23/75/97/568237597.db2.gz WZWXEEOMFQTLAH-GOSISDBHSA-N 0 0 363.369 3.694 50 30 FHEARN O=C(C[C@]1(O)OC(c2ccc(Cl)cc2)=CC1=O)c1ccc(Cl)cc1 ZINC000000752152 570454379 /nfs/dbraw/zinc/45/43/79/570454379.db2.gz UBSRQGFUSLVLTG-SFHVURJKSA-N 0 0 363.196 3.895 50 30 FHEARN COc1cc(/C=N/NC(=S)NC(C)(C)C)ccc1OCc1ccccc1 ZINC000001037899 570474059 /nfs/dbraw/zinc/47/40/59/570474059.db2.gz OQTXPTMJHXYGMI-FYJGNVAPSA-N 0 0 371.506 3.871 50 30 FHEARN COc1ccc(/C=N/NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000001097880 570480145 /nfs/dbraw/zinc/48/01/45/570480145.db2.gz PIUABZQSATYPDQ-FYJGNVAPSA-N 0 0 369.490 3.631 50 30 FHEARN CCOC(=O)Cn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21 ZINC000001146341 570484376 /nfs/dbraw/zinc/48/43/76/570484376.db2.gz RBIRLHOIRYHYCK-UHFFFAOYSA-N 0 0 359.381 3.667 50 30 FHEARN COC(=O)[C@H]1C(=O)C=C(Nc2ccc(F)cc2F)C[C@@H]1c1ccccc1 ZINC000001440874 570499858 /nfs/dbraw/zinc/49/98/58/570499858.db2.gz DKJPKGHUDWMGTE-DNVCBOLYSA-N 0 0 357.356 3.806 50 30 FHEARN CSc1nnc(N2C(=O)C[C@@H](c3ccccc3)C3=C2CCCC3=O)s1 ZINC000001445949 570500287 /nfs/dbraw/zinc/50/02/87/570500287.db2.gz NFDIIATWEIQAQO-LBPRGKRZSA-N 0 0 371.487 3.788 50 30 FHEARN Cc1cccc(/N=C2/NC(=O)/C(=C3\c4ccccc4N(C)C3=O)S2)c1C ZINC000001744889 570506452 /nfs/dbraw/zinc/50/64/52/570506452.db2.gz VQFZFDGGHYQGPQ-MSUUIHNZSA-N 0 0 363.442 3.542 50 30 aggregator FHEARN Cn1c(SCC#N)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000001799150 570507850 /nfs/dbraw/zinc/50/78/50/570507850.db2.gz BWFYBPCGDRGUSQ-UHFFFAOYSA-N 0 0 351.475 3.821 50 30 FHEARN Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc([C@@H]2CCCO2)s1 ZINC000071738870 570510320 /nfs/dbraw/zinc/51/03/20/570510320.db2.gz XIGILWXZOSRBQM-AWEZNQCLSA-N 0 0 365.462 3.824 50 30 FHEARN COc1c(Cl)cc(Cl)cc1-c1c(C#N)c(N)nc2c1COCC2 ZINC000071747235 570511451 /nfs/dbraw/zinc/51/14/51/570511451.db2.gz IQOHFQVGBTUWEK-UHFFFAOYSA-N 0 0 350.205 3.591 50 30 FHEARN Cc1cc(-c2nn(C)c(Cl)c2-c2cc(C(C)(C)C)nc(N)c2C#N)no1 ZINC000071753842 570511667 /nfs/dbraw/zinc/51/16/67/570511667.db2.gz XFYVFCAMSHXOOX-UHFFFAOYSA-N 0 0 370.844 3.850 50 30 FHEARN COc1c(F)cc(-c2cc(-c3sc(N)nc3C)nc(N)c2C#N)cc1F ZINC000071749598 570511715 /nfs/dbraw/zinc/51/17/15/570511715.db2.gz NMXMFGCCKDZXPL-UHFFFAOYSA-N 0 0 373.388 3.503 50 30 FHEARN COc1cc(OC)c(-c2cc(C3CCCC3)nc(N)c2C#N)cc1OC ZINC000071776536 570512223 /nfs/dbraw/zinc/51/22/23/570512223.db2.gz WAYNATATRQLMEL-UHFFFAOYSA-N 0 0 353.422 3.886 50 30 FHEARN N#Cc1ccc(C[NH+]2CCC3(C[C@@H]3c3nnc4n3CCCCC4)CC2)cc1 ZINC000071890622 570515344 /nfs/dbraw/zinc/51/53/44/570515344.db2.gz JVQJTAWHTWLFCK-LJQANCHMSA-N 0 0 361.493 3.646 50 30 FHEARN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000014186637 570518612 /nfs/dbraw/zinc/51/86/12/570518612.db2.gz WHDCPPVKWQVRHF-ZYHUDNBSSA-N 0 0 359.779 3.813 50 30 FHEARN N#Cc1ccccc1-c1ccc(CN2Cc3ccccc3C[C@@H]2C(N)=O)cc1 ZINC000014197020 570518693 /nfs/dbraw/zinc/51/86/93/570518693.db2.gz RTWPNRBWHXVGFH-HSZRJFAPSA-N 0 0 367.452 3.637 50 30 FHEARN O=[N+]([O-])c1ccccc1C=CC=NN1C(=S)N=NC1c1ccccc1 ZINC000002321401 570518942 /nfs/dbraw/zinc/51/89/42/570518942.db2.gz GTLZQVGIRQXKBP-PDDUZAPNSA-N 0 0 351.391 3.689 50 30 FHEARN Cc1ccc(-n2nc(C#N)c(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000033428920 570550571 /nfs/dbraw/zinc/55/05/71/570550571.db2.gz BSZHVIUEIMRBFA-UHFFFAOYSA-N 0 0 357.461 3.907 50 30 FHEARN COc1ccc(-n2c(C)cc(CN=Nc3ccc([N+](=O)[O-])cn3)c2C)cc1 ZINC000004047997 570573953 /nfs/dbraw/zinc/57/39/53/570573953.db2.gz JQRNQKZKPAMDPJ-SRZZPIQSSA-N 0 0 365.393 3.852 50 30 FHEARN CC(C)(C)c1ccc(C=NNS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000252603900 570624142 /nfs/dbraw/zinc/62/41/42/570624142.db2.gz FUBAAOAMNOJJRG-UHFFFAOYSA-N 0 0 350.871 3.950 50 30 FHEARN Cc1ccccc1[C@H]1C2C(=O)C[C@@H](c3ccccc3O)CC2=Nc2ncnn21 ZINC000005203476 570633252 /nfs/dbraw/zinc/63/32/52/570633252.db2.gz ZWGVPVOHXHALJI-QKKBWIMNSA-N 0 0 372.428 3.708 50 30 FHEARN CC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O ZINC000005254270 570640236 /nfs/dbraw/zinc/64/02/36/570640236.db2.gz SGHDEGAUPKRNML-PXNMLYILSA-N 0 0 359.175 3.991 50 30 biogenic FHEARN C[C@H](Sc1nc2cc(Cl)cnc2[nH]1)C(=O)Nc1cccc(C#N)c1 ZINC000005309934 570646649 /nfs/dbraw/zinc/64/66/49/570646649.db2.gz AJPLMMVSZHSOAB-VIFPVBQESA-N 0 0 357.826 3.602 50 30 FHEARN N#C[C@@H](C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCCC1 ZINC000002391009 570648424 /nfs/dbraw/zinc/64/84/24/570648424.db2.gz HOWRUNZNHCBFHH-MRXNPFEDSA-N 0 0 364.449 3.713 50 30 FHEARN C=CCNc1nnc(-c2cc3ccc(N(CC)CC)cc3oc2=O)s1 ZINC000003175994 570656842 /nfs/dbraw/zinc/65/68/42/570656842.db2.gz ZNNMPMUZCWUDAB-UHFFFAOYSA-N 0 0 356.451 3.756 50 30 FHEARN CCOC(=O)CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=S)[nH]1 ZINC000005510238 570665134 /nfs/dbraw/zinc/66/51/34/570665134.db2.gz QGHLMRJBPBZSTI-UHFFFAOYSA-N 0 0 365.867 3.986 50 30 FHEARN Cc1c2c(nc(S[C@@H](C(=O)N(C)C)c3ccccc3)c1C#N)CCC2 ZINC000017748936 570762093 /nfs/dbraw/zinc/76/20/93/570762093.db2.gz NGJIDUCRMOVTBV-GOSISDBHSA-N 0 0 351.475 3.672 50 30 FHEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(C#N)cc2)NC(=O)N1 ZINC000006378418 570766729 /nfs/dbraw/zinc/76/67/29/570766729.db2.gz YRBJVKUCTKBJQC-QGZVFWFLSA-N 0 0 351.793 3.722 50 30 FHEARN Cc1sc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)c(C#N)c1C ZINC000024361678 570767168 /nfs/dbraw/zinc/76/71/68/570767168.db2.gz ZKZKJWBEMXCFDH-CQSZACIVSA-N 0 0 353.447 3.766 50 30 FHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(O)c1 ZINC000013042785 570772972 /nfs/dbraw/zinc/77/29/72/570772972.db2.gz VHZGKMQDEWZMLC-IBGZPJMESA-N 0 0 369.461 3.949 50 30 FHEARN CN1C(=O)/C(=C/c2cccc3cccnc23)S/C1=N\c1nccs1 ZINC000013733272 570788679 /nfs/dbraw/zinc/78/86/79/570788679.db2.gz NPHGJEWQCRKTHB-SQHGGUCHSA-N 0 0 352.444 3.925 50 30 FHEARN CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccccc1 ZINC000014009167 570801545 /nfs/dbraw/zinc/80/15/45/570801545.db2.gz YTYHHFVQLNMAHJ-XOMICKMZSA-N 0 0 353.447 3.667 50 30 FHEARN Cc1ccc(C=NNc2nc3ccccc3c(=O)n2OCC(C)C)c(C)c1 ZINC000018166926 570813514 /nfs/dbraw/zinc/81/35/14/570813514.db2.gz QUUVGBNUVKEXEJ-WSDLNYQXSA-N 0 0 364.449 3.544 50 30 FHEARN C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(C)C)c1 ZINC000032904777 570843159 /nfs/dbraw/zinc/84/31/59/570843159.db2.gz IODGPPIGWHYWEX-UHFFFAOYSA-N 0 0 358.463 3.527 50 30 FHEARN Cc1ccc(C[C@H](C#N)c2c(C#N)c(N)nc(N3CCCCC3)c2C#N)cc1 ZINC000015981514 570848907 /nfs/dbraw/zinc/84/89/07/570848907.db2.gz XIGQAXMLRDUCCA-QGZVFWFLSA-N 0 0 370.460 3.556 50 30 FHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000017251966 570871302 /nfs/dbraw/zinc/87/13/02/570871302.db2.gz XLZZRLOOWPEZAX-QGZVFWFLSA-N 0 0 371.820 3.565 50 30 FHEARN COc1ccc(C(=O)/C=C2\C(=O)Nc3ccc(Br)cc32)cc1 ZINC000017837215 570873737 /nfs/dbraw/zinc/87/37/37/570873737.db2.gz QGBUWAJLMMCNQF-ZROIWOOFSA-N 0 0 358.191 3.676 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccnc1 ZINC000019313834 570885787 /nfs/dbraw/zinc/88/57/87/570885787.db2.gz YDTNWHPMAHEXLA-UWJYYQICSA-N 0 0 374.440 3.616 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 ZINC000019534976 570892208 /nfs/dbraw/zinc/89/22/08/570892208.db2.gz UEGHFMPNCMSKHD-IBGZPJMESA-N 0 0 369.461 3.862 50 30 FHEARN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(O)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019639100 570896366 /nfs/dbraw/zinc/89/63/66/570896366.db2.gz YFNUASCVUTVBDU-IBGZPJMESA-N 0 0 369.461 3.948 50 30 FHEARN N#C[C@H](C(=O)OCc1ccccc1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000019735919 570901319 /nfs/dbraw/zinc/90/13/19/570901319.db2.gz KXVPEFWSHRPGBO-AWEZNQCLSA-N 0 0 364.279 3.964 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccn1 ZINC000019761322 570902124 /nfs/dbraw/zinc/90/21/24/570902124.db2.gz SEDUCHOIUKMEMK-ZHRRBRCNSA-N 0 0 374.440 3.616 50 30 FHEARN N#CCCN1CCN(C(=S)c2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000019891910 570905425 /nfs/dbraw/zinc/90/54/25/570905425.db2.gz GCWHRYFPPMYIMH-UHFFFAOYSA-N 0 0 359.882 3.807 50 30 FHEARN O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3cccc(F)c3)C12 ZINC000020094976 570909586 /nfs/dbraw/zinc/90/95/86/570909586.db2.gz NIRRINNIYYSZPZ-XIKOKIGWSA-N 0 0 366.421 3.894 50 30 FHEARN CCc1ccc(NC(=NC(=O)c2ccc(C)cc2)NC[C@@H]2CCCO2)cc1 ZINC000046133359 570928858 /nfs/dbraw/zinc/92/88/58/570928858.db2.gz LVWPTKZZILVFMR-FQEVSTJZSA-N 0 0 365.477 3.934 50 30 FHEARN Cc1cccc(NC(=NC(=O)c2cccc(F)c2)NC[C@H]2CCCO2)c1C ZINC000046131625 570929000 /nfs/dbraw/zinc/92/90/00/570929000.db2.gz PILDHRUSTIWLFR-GOSISDBHSA-N 0 0 369.440 3.819 50 30 FHEARN CC[C@@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(OC)cc2)C1=O ZINC000051366859 570947160 /nfs/dbraw/zinc/94/71/60/570947160.db2.gz XSJKQGKTYSCLDB-MXWPMSCXSA-N 0 0 367.474 3.939 50 30 FHEARN O=C1N=C(NN=Cc2ccccc2OC(F)F)S[C@H]1c1ccccc1 ZINC000027299455 571011487 /nfs/dbraw/zinc/01/14/87/571011487.db2.gz SEPFCYQCUTYXJG-ANKPHQHTSA-N 0 0 361.373 3.582 50 30 FHEARN C=CCN(C)C(=O)c1csc(NC(=O)c2ccccc2C(F)(F)F)n1 ZINC000040355952 571030141 /nfs/dbraw/zinc/03/01/41/571030141.db2.gz YMSWZLMYMOYTIL-UHFFFAOYSA-N 0 0 369.368 3.672 50 30 FHEARN N#CCC(=O)Nc1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC000008328895 571040703 /nfs/dbraw/zinc/04/07/03/571040703.db2.gz MGBJRWSNEJQZHC-MRXNPFEDSA-N 0 0 351.431 3.506 50 30 FHEARN COc1cc(C#N)ccc1O[C@@H](C)C(=O)c1ccc(Br)cc1 ZINC000008488807 571048488 /nfs/dbraw/zinc/04/84/88/571048488.db2.gz UPACDLMNKGCHTA-NSHDSACASA-N 0 0 360.207 3.980 50 30 FHEARN C=CCSc1nnc2n1c1sc(C)c(C)c1c(=O)n2-c1ccccc1 ZINC000004164395 571052321 /nfs/dbraw/zinc/05/23/21/571052321.db2.gz 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571063023 /nfs/dbraw/zinc/06/30/23/571063023.db2.gz NAHQTSURLQLAHL-UHFFFAOYSA-N 0 0 360.885 3.679 50 30 FHEARN Cc1ccc2c(c1)S[C@H](C(=O)NCCSCc1ccccc1C#N)C2 ZINC000040033575 571069100 /nfs/dbraw/zinc/06/91/00/571069100.db2.gz RXPLRMAMVFJZDF-IBGZPJMESA-N 0 0 368.527 3.933 50 30 FHEARN C=CCN1c2cc(NC(=O)Cc3cccs3)ccc2OCC(C)(C)C1=O ZINC000008959561 571082821 /nfs/dbraw/zinc/08/28/21/571082821.db2.gz JTQRFXIYWBUVEH-UHFFFAOYSA-N 0 0 370.474 3.867 50 30 FHEARN C=C(Cl)COc1ccc2nc(C)n(-c3ccc(OC)cc3)c(=O)c2c1 ZINC000012390993 571083829 /nfs/dbraw/zinc/08/38/29/571083829.db2.gz OJNZCAXRCOYICH-UHFFFAOYSA-N 0 0 356.809 3.834 50 30 FHEARN O=C(Nc1ccccc1C(=O)NCC#Cc1ccccc1)c1cccs1 ZINC000012769225 571088409 /nfs/dbraw/zinc/08/84/09/571088409.db2.gz RMNQKFBONRXJDV-UHFFFAOYSA-N 0 0 360.438 3.782 50 30 FHEARN Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2sc3c(c2C#N)CCCCCC3)cn1 ZINC000069166174 571090484 /nfs/dbraw/zinc/09/04/84/571090484.db2.gz XTOLEDCEVGBJFX-GJZGRUSLSA-N 0 0 354.479 3.754 50 30 FHEARN C=CCc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc(OC)c1OC ZINC000009154172 571099289 /nfs/dbraw/zinc/09/92/89/571099289.db2.gz CYOVCWGWMPXYOJ-UHFFFAOYSA-N 0 0 372.377 3.601 50 30 FHEARN C=CCSc1ccccc1NCC(=O)Nc1ccccc1C(=O)OC ZINC000009338790 571105425 /nfs/dbraw/zinc/10/54/25/571105425.db2.gz XTGCHOFDSFTNNN-UHFFFAOYSA-N 0 0 356.447 3.802 50 30 FHEARN C=CCN(c1ccc(C(=O)Nc2cccc(Cl)c2)cc1)S(C)(=O)=O ZINC000009355928 571106238 /nfs/dbraw/zinc/10/62/38/571106238.db2.gz IXIAPVZFYYNFMK-UHFFFAOYSA-N 0 0 364.854 3.544 50 30 FHEARN CC(C)c1ccc(/C=C2\Oc3cc(OS(C)(=O)=O)ccc3C2=O)cc1 ZINC000009419108 571108391 /nfs/dbraw/zinc/10/83/91/571108391.db2.gz WYWKEGLRXMLGKK-ZDLGFXPLSA-N 0 0 358.415 3.765 50 30 FHEARN Cc1ccc(/C=C2\Oc3c(ccc4c3CN(Cc3ccccn3)CO4)C2=O)o1 ZINC000009423387 571108805 /nfs/dbraw/zinc/10/88/05/571108805.db2.gz FSDGPQBKSJEZFQ-JMIUGGIZSA-N 0 0 374.396 3.951 50 30 FHEARN COCc1cc(C)nc(SCC(=O)Nc2ccccc2Cl)c1C#N ZINC000000872498 571109299 /nfs/dbraw/zinc/10/92/99/571109299.db2.gz BELQEKUDKDWTCX-UHFFFAOYSA-N 0 0 361.854 3.792 50 30 FHEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2)no1 ZINC000005800555 571113401 /nfs/dbraw/zinc/11/34/01/571113401.db2.gz PSAWGMSCKIJFMD-SFHVURJKSA-N 0 0 360.369 3.766 50 30 FHEARN CS(=O)(=O)Nc1ccc(C(=O)/C=C/c2c(F)cccc2Cl)cc1 ZINC000071924216 571113829 /nfs/dbraw/zinc/11/38/29/571113829.db2.gz XFLHQZUCDQDUNH-MDZDMXLPSA-N 0 0 353.802 3.747 50 30 FHEARN C=CCSc1ccccc1C(=O)NCc1nc(-c2ccccc2)no1 ZINC000012343938 571117983 /nfs/dbraw/zinc/11/79/83/571117983.db2.gz XXRONXQHHLULKK-UHFFFAOYSA-N 0 0 351.431 3.945 50 30 FHEARN C=CCOc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1 ZINC000012343879 571118017 /nfs/dbraw/zinc/11/80/17/571118017.db2.gz BJPGURCNRORCDO-DFSFMLJYSA-N 0 0 361.488 3.632 50 30 FHEARN CC#CC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1c1ccc(F)c(OC)c1 ZINC000012585088 571118333 /nfs/dbraw/zinc/11/83/33/571118333.db2.gz GTARDMCETJAIJK-QFIPXVFZSA-N 0 0 362.404 3.813 50 30 FHEARN CCOC(=O)C1(Cc2ccccc2)CCN(CC#Cc2ccccc2)CC1 ZINC000015066578 571121519 /nfs/dbraw/zinc/12/15/19/571121519.db2.gz NGLYHUIPORQOON-UHFFFAOYSA-N 0 0 361.485 3.926 50 30 FHEARN COc1cc2c(cc1OC)C(=O)/C(=C\c1coc3ccc(C)cc3c1=O)C2 ZINC000085878982 571127429 /nfs/dbraw/zinc/12/74/29/571127429.db2.gz AFNAFCPPWZTVSU-ZSOIEALJSA-N 0 0 362.381 3.941 50 30 FHEARN C=CCOc1ccc(/C=C2/COc3ccc(OC)cc3C2=O)cc1OC ZINC000058194854 571127971 /nfs/dbraw/zinc/12/79/71/571127971.db2.gz MSANLQBKRWFZKG-GDNBJRDFSA-N 0 0 352.386 3.927 50 30 FHEARN Cc1ccc(C=C2SC(=O)N(CC(=O)c3ccc(C#N)cc3)C2=O)cc1 ZINC000210974686 571129804 /nfs/dbraw/zinc/12/98/04/571129804.db2.gz SOCGFTQJYXPMKM-VCHYOVAHSA-N 0 0 362.410 3.786 50 30 FHEARN COc1ccc([C@@H]2C(=C(O)C3CC3)C(=O)C(=O)N2c2ccc(C)cc2)cc1 ZINC000058306431 571131040 /nfs/dbraw/zinc/13/10/40/571131040.db2.gz AGZWLIQHGVBXBE-LJQANCHMSA-N 0 0 363.413 3.883 50 30 FHEARN COc1cccc(-c2cc(C#N)c(NC(=O)c3cccc([N+](=O)[O-])c3)o2)c1 ZINC000000948977 571134937 /nfs/dbraw/zinc/13/49/37/571134937.db2.gz RFRRYNWJHHDANY-UHFFFAOYSA-N 0 0 363.329 3.987 50 30 FHEARN Cc1ccc(CSc2nncn2/N=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000000940359 571135245 /nfs/dbraw/zinc/13/52/45/571135245.db2.gz WXTUBGYLYJWMHO-VXLYETTFSA-N 0 0 353.407 3.669 50 30 FHEARN N#Cc1c(=O)[n-]c(SCC[NH+]2CCCCC2)nc1-c1ccc(Cl)cc1 ZINC000015859833 571138072 /nfs/dbraw/zinc/13/80/72/571138072.db2.gz SKPXVTCQXMQVFA-UHFFFAOYSA-N 0 0 374.897 3.952 50 30 FHEARN COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O ZINC000006166674 571139220 /nfs/dbraw/zinc/13/92/20/571139220.db2.gz OLHXEBPZAFTYPV-JQNABLTESA-N 0 0 350.370 3.799 50 30 biogenic FHEARN C=CCn1c2ccc(NC(=O)c3c(OC)cccc3OC)cc2sc1=O ZINC000015865086 571139544 /nfs/dbraw/zinc/13/95/44/571139544.db2.gz KSVLZXYEXCYTGC-UHFFFAOYSA-N 0 0 370.430 3.519 50 30 FHEARN N#Cc1ccccc1NC(=O)c1cccn2c1nnc2-c1ccccc1F ZINC000015867742 571140429 /nfs/dbraw/zinc/14/04/29/571140429.db2.gz GRULGYRHZGOVMJ-UHFFFAOYSA-N 0 0 357.348 3.659 50 30 FHEARN C[C@H](OC(=O)C=C(C1CC1)C1CC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000052150681 571140679 /nfs/dbraw/zinc/14/06/79/571140679.db2.gz QUIIWNIRJIQLLX-NSHDSACASA-N 0 0 370.474 3.725 50 30 FHEARN CCCc1ccc(C#N)c(SCC(=O)Nc2ccc(C(C)=O)cc2)n1 ZINC000001014245 571143377 /nfs/dbraw/zinc/14/33/77/571143377.db2.gz SHWVDQOSNHGFFQ-UHFFFAOYSA-N 0 0 353.447 3.839 50 30 FHEARN COc1ccccc1NC(=O)[C@H](C)Sc1nc(C2CC2)nc(C)c1C#N ZINC000012919350 571145093 /nfs/dbraw/zinc/14/50/93/571145093.db2.gz NOHRNZDQIMWNAS-LBPRGKRZSA-N 0 0 368.462 3.662 50 30 FHEARN C=CCNc1nc(C(=O)O[C@@H](C)c2nnc(-c3ccccc3)o2)cs1 ZINC000026098492 571148941 /nfs/dbraw/zinc/14/89/41/571148941.db2.gz MUEIUDRCAPIHCE-NSHDSACASA-N 0 0 356.407 3.709 50 30 FHEARN O=C1CCCC2=Nc3nc4ccccc4n3[C@H](c3ccc([N+](=O)[O-])cc3)C12 ZINC000004684710 571160185 /nfs/dbraw/zinc/16/01/85/571160185.db2.gz LNRWPVZXPKNSPC-LJQANCHMSA-N 0 0 360.373 3.967 50 30 FHEARN COc1ccc(S[C@H](C)C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1 ZINC000053528378 571161159 /nfs/dbraw/zinc/16/11/59/571161159.db2.gz UEGJSZNHZBCEKT-LLVKDONJSA-N 0 0 355.423 3.644 50 30 FHEARN COC(=O)/C=C1/CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C ZINC000257357244 571163764 /nfs/dbraw/zinc/16/37/64/571163764.db2.gz MVLYYRYIEZOWIZ-OUEFGXNVSA-N 0 0 356.462 3.797 50 30 FHEARN CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)Nc1ccccc1 ZINC000082067898 571164508 /nfs/dbraw/zinc/16/45/08/571164508.db2.gz ATHRXBRSKBTVHI-UHFFFAOYSA-N 0 0 365.355 3.656 50 30 FHEARN C=CCN1c2ccccc2[C@@](O)([C@H](C)C(=O)c2ccc(Cl)cc2)C1=O ZINC000004724216 571168912 /nfs/dbraw/zinc/16/89/12/571168912.db2.gz USZLSODSBDZSBN-XCLFUZPHSA-N 0 0 355.821 3.579 50 30 FHEARN N#CCCN(C(=O)COc1ccc2ccccc2c1C=O)c1ccccc1 ZINC000031675191 571172206 /nfs/dbraw/zinc/17/22/06/571172206.db2.gz DABPLSRREOJOBV-UHFFFAOYSA-N 0 0 358.397 3.978 50 30 FHEARN C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccc(C#N)cc1 ZINC000031673575 571172251 /nfs/dbraw/zinc/17/22/51/571172251.db2.gz FRUQKSIFTLAVAJ-JTQLQIEISA-N 0 0 363.186 3.866 50 30 FHEARN C=CCN(Cc1cccs1)Cc1nc(N)nc(Nc2ccccc2C)n1 ZINC000012561382 571182881 /nfs/dbraw/zinc/18/28/81/571182881.db2.gz IKZLHTMDZJYWTM-UHFFFAOYSA-N 0 0 366.494 3.756 50 30 FHEARN COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CCC3)cc(OC)c1O ZINC000003904869 571189076 /nfs/dbraw/zinc/18/90/76/571189076.db2.gz HQNCECFVELIWLJ-HXUWFJFHSA-N 0 0 366.417 3.995 50 30 FHEARN C/C(=N\N=c1/scc(C)n1Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000006479675 571201453 /nfs/dbraw/zinc/20/14/53/571201453.db2.gz OOOAOSOQBGACQF-WOZMVSLESA-N 0 0 356.407 3.732 50 30 FHEARN Cc1cc(C(=O)/C=C/c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)n(C)n1 ZINC000006527841 571207241 /nfs/dbraw/zinc/20/72/41/571207241.db2.gz NULJDSVSCDPZGV-MDZDMXLPSA-N 0 0 367.361 3.705 50 30 FHEARN CCCCCCCCCCS(=O)(=O)N/N=C/c1cccc([N+](=O)[O-])c1 ZINC000098002604 571217636 /nfs/dbraw/zinc/21/76/36/571217636.db2.gz ZQVFOGMBLZCEOQ-OBGWFSINSA-N 0 0 369.487 3.989 50 30 FHEARN C=CCNC(=O)COc1ccccc1-c1noc(-c2ccccc2Cl)n1 ZINC000033325165 571234286 /nfs/dbraw/zinc/23/42/86/571234286.db2.gz QQMMHZUYZVFMCX-UHFFFAOYSA-N 0 0 369.808 3.738 50 30 FHEARN NC(=[NH+][N-]c1ccc(Br)cc1Br)c1ccccc1 ZINC000006664416 571240173 /nfs/dbraw/zinc/24/01/73/571240173.db2.gz DRRAXKUXNODSPE-UHFFFAOYSA-N 0 0 369.060 3.944 50 30 FHEARN Cc1cc(C(=O)Nc2cccc(C#N)c2)nc2cc(-c3cccs3)nn21 ZINC000064760046 571241313 /nfs/dbraw/zinc/24/13/13/571241313.db2.gz RVCBHZCBXAJXMY-UHFFFAOYSA-N 0 0 359.414 3.890 50 30 FHEARN C=CCOC[C@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104226 571242187 /nfs/dbraw/zinc/24/21/87/571242187.db2.gz JYXGEQSAPYXAGG-LJQANCHMSA-N 0 0 365.395 3.670 50 30 FHEARN C=CCn1c(C)cc(C(=O)Cn2c(C)nc3cc4c(cc32)OCCO4)c1C ZINC000006831506 571249382 /nfs/dbraw/zinc/24/93/82/571249382.db2.gz BATXVBSTGVCPSP-UHFFFAOYSA-N 0 0 365.433 3.603 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccc(OC)cc1OC ZINC000170618286 571268611 /nfs/dbraw/zinc/26/86/11/571268611.db2.gz VPFMWHCANMIGOM-UZLBHIALSA-N 0 0 370.401 3.616 50 30 FHEARN COc1ccc(/C=N/N=C2\S[C@H](C)C(=O)N2Cc2ccccc2C)cc1 ZINC000013595967 571271280 /nfs/dbraw/zinc/27/12/80/571271280.db2.gz LNPXOWKEEQTJHE-MYAASBOSSA-N 0 0 367.474 3.858 50 30 FHEARN N#Cc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 ZINC000014249853 571271753 /nfs/dbraw/zinc/27/17/53/571271753.db2.gz HOPVLSVBCPWNNB-NVNXTCNLSA-N 0 0 353.175 3.665 50 30 FHEARN C=CCN1C(=O)[C@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N2C1=S ZINC000001129408 571275461 /nfs/dbraw/zinc/27/54/61/571275461.db2.gz NKEVTGXYYSJFOQ-UYAOXDASSA-N 0 0 373.481 3.797 50 30 biogenic FHEARN CCOc1cc(C=NN2C(=S)N=NC2c2ccccc2Cl)ccc1O ZINC000001478749 571277510 /nfs/dbraw/zinc/27/75/10/571277510.db2.gz NJADSZLYGDVNFO-VXLYETTFSA-N 0 0 374.853 3.874 50 30 FHEARN C[C@H](OC(=O)c1cccc2ccccc21)C(=O)NC1(C#N)CCCCC1 ZINC000007604138 571283882 /nfs/dbraw/zinc/28/38/82/571283882.db2.gz CQQVTIKEOKHVNX-HNNXBMFYSA-N 0 0 350.418 3.728 50 30 FHEARN CCC(=O)ON=C1c2cccn2C[C@@H]1CN(C(=O)CC)c1ccc(C)cc1 ZINC000252597287 571284439 /nfs/dbraw/zinc/28/44/39/571284439.db2.gz CRDYEJZOLVFMDT-MRXNPFEDSA-N 0 0 367.449 3.527 50 30 FHEARN CC(=N[N-]c1nc2nc3c(cccc3C)c-2[nH][nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000252595586 571284481 /nfs/dbraw/zinc/28/44/81/571284481.db2.gz CCUQSSWAPAPPHU-UHFFFAOYSA-N 0 0 361.365 3.559 50 30 FHEARN CC(=NOCC(=O)Nc1sc2c(c1C#N)CCCC2)c1cccs1 ZINC000252606302 571284880 /nfs/dbraw/zinc/28/48/80/571284880.db2.gz GQRHIWXYEDPPQA-UHFFFAOYSA-N 0 0 359.476 3.939 50 30 FHEARN CSc1c(C#N)c(=O)[nH]c2c(N=Nc3ccc(Cl)cc3)c(N)nn21 ZINC000252616869 571286093 /nfs/dbraw/zinc/28/60/93/571286093.db2.gz KHKMGQPZYYKVSN-UHFFFAOYSA-N 0 0 359.802 3.679 50 30 FHEARN N#CCOc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000007787039 571289001 /nfs/dbraw/zinc/28/90/01/571289001.db2.gz LACJJSRZOXKKQZ-UHFFFAOYSA-N 0 0 357.218 3.697 50 30 FHEARN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(C#N)c1 ZINC000007807712 571289617 /nfs/dbraw/zinc/28/96/17/571289617.db2.gz JQXHVVBTVNVVJE-KRWDZBQOSA-N 0 0 355.825 3.605 50 30 FHEARN Cc1sc(NC(=O)[C@@H](C)n2ncc(Br)c2C)c(C#N)c1C ZINC000002781070 571340937 /nfs/dbraw/zinc/34/09/37/571340937.db2.gz ULPFNKCSYFFTFR-SECBINFHSA-N 0 0 367.272 3.704 50 30 FHEARN C=CCc1cccc(/C=N/[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)c1O ZINC000108215340 571311446 /nfs/dbraw/zinc/31/14/46/571311446.db2.gz FXKNVAGJWQKIKK-FINLKQIMSA-N 0 0 362.429 3.805 50 30 FHEARN Oc1ccc(/C=N/NC(=S)Nc2ccc(Cl)cc2Cl)c(O)c1 ZINC000002319179 571317844 /nfs/dbraw/zinc/31/78/44/571317844.db2.gz GUDDEIZKJFYRMF-REZTVBANSA-N 0 0 356.234 3.725 50 30 FHEARN Cc1nc2c3cc(Cl)ccc3[nH]c2c(=O)n1/N=C/c1cccc(F)c1 ZINC000002345960 571318323 /nfs/dbraw/zinc/31/83/23/571318323.db2.gz QVWIUPIJGIBJQQ-ZVBGSRNCSA-N 0 0 354.772 3.861 50 30 FHEARN COCc1cc(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)ccc1OC ZINC000067819225 571321843 /nfs/dbraw/zinc/32/18/43/571321843.db2.gz GBBCAMRZWIOOFR-UHFFFAOYSA-N 0 0 361.401 3.730 50 30 FHEARN COc1cc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc(OC)c1O ZINC000067724827 571321845 /nfs/dbraw/zinc/32/18/45/571321845.db2.gz XUIZJTFGLYVAQR-UHFFFAOYSA-N 0 0 353.422 3.584 50 30 FHEARN COc1cc(-c2cc([C@H]3CCOC(C)(C)C3)c(C#N)c(N)n2)ccc1O ZINC000067834341 571321916 /nfs/dbraw/zinc/32/19/16/571321916.db2.gz OAOMVNDZUKSYQR-ZDUSSCGKSA-N 0 0 353.422 3.589 50 30 FHEARN Cn1cccc1/C=C1/S/C(=N\c2cccc(Br)c2)NC1=O ZINC000002435630 571322307 /nfs/dbraw/zinc/32/23/07/571322307.db2.gz GHKCTKQDPPBXCX-UKTHLTGXSA-N 0 0 362.252 3.679 50 30 FHEARN COc1cc2c(cc1OC)CN(CC(=O)Nc1cc(C)cc(C)c1)CC2 ZINC000082049761 571322665 /nfs/dbraw/zinc/32/26/65/571322665.db2.gz WHENKGQDZHNAGC-UHFFFAOYSA-N 0 0 354.450 3.967 50 30 FHEARN COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000012976610 571322945 /nfs/dbraw/zinc/32/29/45/571322945.db2.gz LNAQTLDBZZJBTB-FOIQADDNSA-N 0 0 350.418 3.698 50 30 FHEARN Cc1cc(C)n([C@H]2CCN(C(=O)c3ccc(-c4ccc(C#N)nc4)cc3)C2)n1 ZINC000534590029 571323046 /nfs/dbraw/zinc/32/30/46/571323046.db2.gz UZJIAYHEYYJZSR-NRFANRHFSA-N 0 0 371.444 3.521 50 30 FHEARN COC(=O)c1ncc(NC(=O)c2cc(F)c(F)c(F)c2F)cc1Cl ZINC000328595570 571323703 /nfs/dbraw/zinc/32/37/03/571323703.db2.gz YKUZXWHFLYHCIE-UHFFFAOYSA-N 0 0 362.666 3.714 50 30 FHEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc(OC)c1)O2 ZINC000020624532 571331603 /nfs/dbraw/zinc/33/16/03/571331603.db2.gz LSZSRNOXQAFCOF-UNOMPAQXSA-N 0 0 353.418 3.859 50 30 FHEARN CCC(=O)N1CCN(c2nc(-c3ccccc3)c3c(c2C#N)CCCC3)CC1 ZINC000020827026 571331687 /nfs/dbraw/zinc/33/16/87/571331687.db2.gz XFEARCQMKYYFAK-UHFFFAOYSA-N 0 0 374.488 3.558 50 30 FHEARN CCCCOc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000007966378 571332328 /nfs/dbraw/zinc/33/23/28/571332328.db2.gz PMMDWGVUZRPFGY-CAPFRKAQSA-N 0 0 360.479 3.876 50 30 FHEARN COc1ccc(Cn2c(Nc3ccc(C#N)cc3)c3[nH]cccc-3c2=O)cc1 ZINC000021107133 571332699 /nfs/dbraw/zinc/33/26/99/571332699.db2.gz VZTAFJSJTCLBFB-OAQYLSRUSA-N 0 0 370.412 3.729 50 30 FHEARN COc1cccc(/C=C\C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1 ZINC000096055505 571334196 /nfs/dbraw/zinc/33/41/96/571334196.db2.gz SWEIBEJFAOYVKQ-XFXZXTDPSA-N 0 0 359.347 3.895 50 30 FHEARN CCn1ncc(/C=C\C(=O)c2ccc(I)cc2)c1C ZINC000096562039 571336191 /nfs/dbraw/zinc/33/61/91/571336191.db2.gz NDCGEHDPGMPKRW-TWGQIWQCSA-N 0 0 366.202 3.712 50 30 FHEARN C=CCNC(=O)COC(=O)c1c(C)c(-c2ccccc2)nc2ccccc21 ZINC000002664874 571340369 /nfs/dbraw/zinc/34/03/69/571340369.db2.gz WAQYAQWMLIWOSU-UHFFFAOYSA-N 0 0 360.413 3.669 50 30 FHEARN C[C@@]12OC(=N)[C@@](C#N)([C@@H]1c1ccccc1)C(C#N)(C#N)[C@H](c1ccccc1)O2 ZINC000230004068 571340408 /nfs/dbraw/zinc/34/04/08/571340408.db2.gz SECSTAJUVLINRG-BAYUQKDNSA-N 0 0 368.396 3.809 50 30 FHEARN CC[C@H](C)[C@H](C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000057304391 571342451 /nfs/dbraw/zinc/34/24/51/571342451.db2.gz IVYQHLLPLZTLRC-KBPBESRZSA-N 0 0 370.453 3.573 50 30 FHEARN CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@H]2c1ccc(F)cc1 ZINC000003199694 571345427 /nfs/dbraw/zinc/34/54/27/571345427.db2.gz CIAJSGNLYPKZRO-KRWDZBQOSA-N 0 0 358.438 3.845 50 30 FHEARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccc(C#N)cc1 ZINC000003347473 571347919 /nfs/dbraw/zinc/34/79/19/571347919.db2.gz XICBIZADABVLMF-UHFFFAOYSA-N 0 0 364.323 3.855 50 30 FHEARN N#CCCN(C(=O)CSc1ccc2c(c1)OCCO2)c1ccc(F)cc1 ZINC000003397624 571349013 /nfs/dbraw/zinc/34/90/13/571349013.db2.gz XVQOJPFOVPVPLP-UHFFFAOYSA-N 0 0 372.421 3.636 50 30 FHEARN CC(C)=C1Oc2c(ccc3c2[C@@H](c2cnn(C(C)C)c2)CC(=O)O3)C1=O ZINC000217644829 571349616 /nfs/dbraw/zinc/34/96/16/571349616.db2.gz GSPMQPVEAKLDAZ-CQSZACIVSA-N 0 0 352.390 3.774 50 30 FHEARN N#Cc1oc2ccccc2c1NC(=O)CSc1ccc2c(c1)OCCO2 ZINC000003527881 571350743 /nfs/dbraw/zinc/35/07/43/571350743.db2.gz BWNBZLKMRIBANQ-UHFFFAOYSA-N 0 0 366.398 3.806 50 30 FHEARN COc1ccc(CN=Nc2c(Cl)cncc2Cl)c(OC)c1OC ZINC000003909609 571353129 /nfs/dbraw/zinc/35/31/29/571353129.db2.gz MCUMPXWDUDTRMR-KPSZGOFPSA-N 0 0 356.209 3.860 50 30 FHEARN N#Cc1ccc(-c2nc3c(C#N)c(-c4ccc5c(c4)OCO5)ccn3n2)cc1 ZINC000004050902 571354545 /nfs/dbraw/zinc/35/45/45/571354545.db2.gz BQOHUKYUAUOVJF-UHFFFAOYSA-N 0 0 365.352 3.535 50 30 FHEARN CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000004083644 571354890 /nfs/dbraw/zinc/35/48/90/571354890.db2.gz QXTWZEGENLVVRE-KOORYGTMSA-N 0 0 368.473 3.961 50 30 biogenic FHEARN NC(=S)N/N=C/c1cn(Cc2c(F)cccc2Cl)c2ccccc12 ZINC000004090644 571355158 /nfs/dbraw/zinc/35/51/58/571355158.db2.gz QYGBUBJURRYISK-ODCIPOBUSA-N 0 0 360.845 3.649 50 30 FHEARN C[C@H]1CCCC[C@@H]1OCC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000331975879 945069560 /nfs/dbraw/zinc/06/95/60/945069560.db2.gz MLEKGWKSKPMGMJ-JXFKEZNVSA-N 0 0 356.466 3.523 50 30 FHEARN COc1ccc(C(=O)/C=C\c2ccc3c(c2)sc(=O)n3C)c(OC)c1 ZINC000588590219 938650036 /nfs/dbraw/zinc/65/00/36/938650036.db2.gz NHJWWVZIEWCMTJ-UITAMQMPSA-N 0 0 355.415 3.513 50 30 FHEARN COCC=CC(=O)NCCC(=O)Nc1cc(Br)ccc1C ZINC000328594440 941795780 /nfs/dbraw/zinc/79/57/80/941795780.db2.gz KEBRQVOGUMVRDE-ONEGZZNKSA-N 0 0 355.232 3.895 50 30 FHEARN O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)[C@H]1CCn2cncc2C1 ZINC000328958479 942229982 /nfs/dbraw/zinc/22/99/82/942229982.db2.gz OKCCFPAQIBJCPE-TVQRCGJNSA-N 0 0 352.221 3.843 50 30 FHEARN COc1ccc2c(c1)OC[C@H](NC(=O)N1CCC[C@@H]1c1cccs1)C2 ZINC000328994167 942235077 /nfs/dbraw/zinc/23/50/77/942235077.db2.gz JFHMJJCUNQBKEC-GDBMZVCRSA-N 0 0 358.463 3.811 50 30 FHEARN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)Nc1cn(C)nc1-c1ccccc1 ZINC000329562651 944056429 /nfs/dbraw/zinc/05/64/29/944056429.db2.gz RUSLDQFDDAGPHX-APWZRJJASA-N 0 0 356.470 3.864 50 30 FHEARN O=C(N[C@@H]1CCCc2occc21)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000329630047 944113534 /nfs/dbraw/zinc/11/35/34/944113534.db2.gz VGVPXMZSHBWJAI-MJGOQNOKSA-N 0 0 358.413 3.826 50 30 FHEARN C[C@@H]1[C@H](NC(=O)[C@@H]2CCCc3cccnc32)CC(=O)N1Cc1ccccc1 ZINC000329796960 944271779 /nfs/dbraw/zinc/27/17/79/944271779.db2.gz FFPTXMSNCZBVEK-ATZDWAIDSA-N 0 0 363.461 3.648 50 30 FHEARN CC[C@@H](C)n1ncc(NC(=O)N2CCCN3c4ccccc4C[C@H]3C2)c1C ZINC000329816479 944290951 /nfs/dbraw/zinc/29/09/51/944290951.db2.gz FLEHMNIFRGUWJS-QAPCUYQASA-N 0 0 367.497 3.845 50 30 FHEARN C=CCSc1nnc(-c2cnn(-c3ccccc3)c2-n2cccc2)n1C ZINC000004050344 944323968 /nfs/dbraw/zinc/32/39/68/944323968.db2.gz HSICKIXOLVKQBG-UHFFFAOYSA-N 0 0 362.462 3.737 50 30 FHEARN C[C@@H]1C[C@H](c2ccccc2F)N(S(=O)(=O)CC2(C#N)CCCC2)C1 ZINC000331623561 944464544 /nfs/dbraw/zinc/46/45/44/944464544.db2.gz YCYWCJQSDJNDAH-RHSMWYFYSA-N 0 0 350.459 3.622 50 30 FHEARN C[C@@H](NC(=O)NCc1cccc(OC2CC2)c1F)c1cccc(C#N)c1 ZINC000595538058 945941682 /nfs/dbraw/zinc/94/16/82/945941682.db2.gz GPXUZOXTTXVHFE-CYBMUJFWSA-N 0 0 353.397 3.799 50 30 FHEARN C=CCOc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1Br ZINC000004170910 210006649 /nfs/dbraw/zinc/00/66/49/210006649.db2.gz PPSSJUATBDWHDO-WQLSENKSSA-N 0 0 354.225 3.680 50 30 FHEARN CCOc1cc(C#N)c(NC(=O)Cc2ccccc2OC)cc1OCC ZINC000001080807 219366280 /nfs/dbraw/zinc/36/62/80/219366280.db2.gz IKFOGRBJJQRHRN-UHFFFAOYSA-N 0 0 354.406 3.545 50 30 FHEARN C=C/C=C/CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@@H](/C=C(\C)C(=O)OC)C2(C)C)CC1=O ZINC000003875844 291074286 /nfs/dbraw/zinc/07/42/86/291074286.db2.gz VJFUPGQZSXIULQ-QYVAASDLSA-N 0 0 372.461 3.711 50 30 biogenic,in-vitro FHEARN COc1ccc([C@H](O)C(O)(C#Cc2ccccc2)C#Cc2ccccc2)cc1 ZINC000004350344 209610839 /nfs/dbraw/zinc/61/08/39/209610839.db2.gz QBQSTUROZAEQBD-DEOSSOPVSA-N 0 0 368.432 3.563 50 30 FHEARN C=CCNC(=S)N=NCc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000012374197 209565656 /nfs/dbraw/zinc/56/56/56/209565656.db2.gz WUWYMRDJEOEVDB-XKZIYDEJSA-N 0 0 369.490 3.978 50 30 FHEARN CC/N=C1/S/C(=C/c2cn(C(C)=O)nc2-c2ccccc2)C(=O)N1CC ZINC000005823496 209444275 /nfs/dbraw/zinc/44/42/75/209444275.db2.gz FHVOWLZADYKQMF-KERPIWHLSA-N 0 0 368.462 3.522 50 30 FHEARN CS(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000004518029 209425388 /nfs/dbraw/zinc/42/53/88/209425388.db2.gz RINWDWHTNAJVDK-UHFFFAOYSA-N 0 0 374.487 3.544 50 30 FHEARN COc1ccc(CN2C(=O)[C@@H](C)S/C2=N/N=C/c2ccc(C)cc2)cc1 ZINC000004906202 209430321 /nfs/dbraw/zinc/43/03/21/209430321.db2.gz UONTWVWACGFWRX-GHJLDSRNSA-N 0 0 367.474 3.858 50 30 FHEARN CC(O)=C1C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000001306636 209387396 /nfs/dbraw/zinc/38/73/96/209387396.db2.gz GHRPBQARUDVBKS-INIZCTEOSA-N 0 0 372.218 3.938 50 30 FHEARN Cc1ccccc1OCc1ccc(-c2nc(C#N)c(N3CCOCC3)o2)o1 ZINC000008844549 219870290 /nfs/dbraw/zinc/87/02/90/219870290.db2.gz LQDGWEIQQPJOEB-UHFFFAOYSA-N 0 0 365.389 3.530 50 30 FHEARN CN1C(=O)/C(=C\c2ccc3ncccc3c2)S/C1=N/c1nccs1 ZINC000101500415 209228069 /nfs/dbraw/zinc/22/80/69/209228069.db2.gz PJBRCJCPSCFPPR-TWLDDXCASA-N 0 0 352.444 3.925 50 30 FHEARN CCCCCCCCOC(=O)[C@H](O)[C@@H](O)C(=O)OCCCCCCCC ZINC000101342143 209224419 /nfs/dbraw/zinc/22/44/19/209224419.db2.gz LSFNVBFEFPZYFU-QZTJIDSGSA-N 0 0 374.518 3.516 50 30 FHEARN CCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(O)cc1 ZINC000101285026 209223120 /nfs/dbraw/zinc/22/31/20/209223120.db2.gz UJQUYNFLZQOZQQ-GOSISDBHSA-N 0 0 370.453 3.786 50 30 FHEARN O=C1C(=NNc2ccccc2[N+](=O)[O-])c2ccccc2N1Cc1ccccc1 ZINC000100474521 209214880 /nfs/dbraw/zinc/21/48/80/209214880.db2.gz ZKNPPHMCWNLQRZ-ATJXCDBQSA-N 0 0 372.384 3.958 50 30 FHEARN O=C(/C=C\c1cccc(NC(=O)C(F)(F)F)c1)c1ccc2c(c1)OCO2 ZINC000096931579 209162437 /nfs/dbraw/zinc/16/24/37/209162437.db2.gz PZELMBJJIGLMSG-XQRVVYSFSA-N 0 0 363.291 3.812 50 30 FHEARN N#Cc1ccccc1/C=C\C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000096930914 209162847 /nfs/dbraw/zinc/16/28/47/209162847.db2.gz FUYXQOPYKXXKMV-QIBOZCLASA-N 0 0 360.413 3.706 50 30 FHEARN COc1ccc(OC)c(C(=O)C=C(O)C(=O)Nc2cc(C)cc(C)c2)c1 ZINC000096903411 209160363 /nfs/dbraw/zinc/16/03/63/209160363.db2.gz OEZJYLRRMJKHKB-WQRHYEAKSA-N 0 0 355.390 3.584 50 30 FHEARN C#CCN(Cc1ccco1)C(=O)c1ccc(NC(=O)c2ccoc2C)cc1 ZINC000055109001 206680772 /nfs/dbraw/zinc/68/07/72/206680772.db2.gz XXIJMKGYVBRQAR-UHFFFAOYSA-N 0 0 362.385 3.709 50 30 FHEARN C=CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OCCC(C)C)cc1 ZINC000006307965 206710162 /nfs/dbraw/zinc/71/01/62/206710162.db2.gz FYTAGSDYCGSRMV-SFHVURJKSA-N 0 0 374.506 3.634 50 30 FHEARN C=C(Br)Cn1c(CCNC(=O)c2ccco2)nc2ccccc21 ZINC000007546470 206720389 /nfs/dbraw/zinc/72/03/89/206720389.db2.gz VGLDRFBTKRAKAO-UHFFFAOYSA-N 0 0 374.238 3.510 50 30 FHEARN C=C(C)CN1c2ccccc2[C@@](O)(CC(=O)c2ccc(Cl)cc2)C1=O ZINC000001320643 206741460 /nfs/dbraw/zinc/74/14/60/206741460.db2.gz MEXXXJRZXNUDMZ-FQEVSTJZSA-N 0 0 355.821 3.723 50 30 FHEARN C=CCNC(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000023732663 206748515 /nfs/dbraw/zinc/74/85/15/206748515.db2.gz OOMGKKCJWLGYJL-UHFFFAOYSA-N 0 0 371.431 3.567 50 30 FHEARN CN1N=C(c2ccc3c(c2)OCCCO3)CS/C1=N/Cc1ccccc1 ZINC000015406307 206804363 /nfs/dbraw/zinc/80/43/63/206804363.db2.gz ISZNVRUIBNJBHH-QZQOTICOSA-N 0 0 367.474 3.787 50 30 FHEARN COc1cc(C=C2C(=O)c3ccccc3C2=O)c(Br)cc1O ZINC000000671261 206822305 /nfs/dbraw/zinc/82/23/05/206822305.db2.gz JDHJUWQSTHPOAO-UHFFFAOYSA-N 0 0 359.175 3.626 50 30 FHEARN N#Cc1ccccc1OCC(=O)Nc1c2ccccc2oc1C(=O)C1CC1 ZINC000000806680 206833934 /nfs/dbraw/zinc/83/39/34/206833934.db2.gz FJJRKQUVBYDXEB-UHFFFAOYSA-N 0 0 360.369 3.915 50 30 FHEARN COc1ccc(/C=C2\S/C(=N\c3cccc(C)c3)NC2=O)c(OC)c1 ZINC000001023441 206855408 /nfs/dbraw/zinc/85/54/08/206855408.db2.gz GTYXXSZFWPUZOC-YVLHZVERSA-N 0 0 354.431 3.904 50 30 FHEARN COc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 ZINC000001959792 206898945 /nfs/dbraw/zinc/89/89/45/206898945.db2.gz NDXHYCNMEAHEGY-GFCCVEGCSA-N 0 0 356.447 3.771 50 30 FHEARN O=C1c2ccccc2C(=O)C(N2CCOCC2)=C1SCc1ccccc1 ZINC000003202665 206959741 /nfs/dbraw/zinc/95/97/41/206959741.db2.gz XFULQOSEPCANFN-UHFFFAOYSA-N 0 0 365.454 3.543 50 30 FHEARN CCOC(=O)[C@@H]1CCCN(c2oc(-c3ccc(Cl)cc3)nc2C#N)C1 ZINC000003293022 206966995 /nfs/dbraw/zinc/96/69/95/206966995.db2.gz LYKJIJMVQMTGAH-CYBMUJFWSA-N 0 0 359.813 3.646 50 30 FHEARN CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)cc1 ZINC000003404495 206975656 /nfs/dbraw/zinc/97/56/56/206975656.db2.gz VXDYQTHDSLQYSL-UGSOOPFHSA-N 0 0 369.852 3.995 50 30 FHEARN O=S(=O)(CC(=NNc1ccccc1)c1ccccc1)c1ccccc1 ZINC000004114032 207000864 /nfs/dbraw/zinc/00/08/64/207000864.db2.gz YYLNVVCNNQZCEK-LSDHQDQOSA-N 0 0 350.443 3.977 50 30 FHEARN Cc1nc2ccccc2c(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)n1 ZINC000004240886 207008170 /nfs/dbraw/zinc/00/81/70/207008170.db2.gz LEMIZWPXHJGLTG-ZDUSSCGKSA-N 0 0 354.479 3.762 50 30 FHEARN Cc1cc(S[C@@H](C)C(=O)N2CCCC2)n2c3ccccc3nc2c1C#N ZINC000004269684 207008961 /nfs/dbraw/zinc/00/89/61/207008961.db2.gz TUXBGLATTZHROK-AWEZNQCLSA-N 0 0 364.474 3.771 50 30 FHEARN Cc1cc(SCC(=O)NCCC(C)C)n2c3ccccc3nc2c1C#N ZINC000004269507 207009225 /nfs/dbraw/zinc/00/92/25/207009225.db2.gz YKGDVIOIBVXGIQ-UHFFFAOYSA-N 0 0 366.490 3.922 50 30 FHEARN NC(=NOCc1cc(Cl)cc2c1OCOC2)c1ccc(Cl)cc1 ZINC000004322857 207014601 /nfs/dbraw/zinc/01/46/01/207014601.db2.gz WYQHPJQOBBMNIR-UHFFFAOYSA-N 0 0 353.205 3.697 50 30 FHEARN CCCNC(=O)ONC(=N)c1c(C)onc1-c1c(Cl)cccc1Cl ZINC000004382469 207017145 /nfs/dbraw/zinc/01/71/45/207017145.db2.gz OZMFNIYYXJSMFK-UHFFFAOYSA-N 0 0 371.224 3.713 50 30 FHEARN CCCCOc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2nnnn21 ZINC000004368784 207017584 /nfs/dbraw/zinc/01/75/84/207017584.db2.gz JAOQBFOIRJGEJM-GOSISDBHSA-N 0 0 367.453 3.510 50 30 FHEARN NC(=S)N/N=C/c1cccc(OCCSc2ccc(Cl)cc2)c1 ZINC000004511034 207023480 /nfs/dbraw/zinc/02/34/80/207023480.db2.gz PINGSYOKLBXDNZ-YBFXNURJSA-N 0 0 365.911 3.678 50 30 FHEARN N#Cc1ccccc1OCC(=O)Nc1ccc(OC(F)(F)Cl)cc1 ZINC000004452228 207020113 /nfs/dbraw/zinc/02/01/13/207020113.db2.gz SERGBAZVZLLPIJ-UHFFFAOYSA-N 0 0 352.724 3.744 50 30 FHEARN C=CCSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1C(=O)CCCC1=N2 ZINC000004436258 207020501 /nfs/dbraw/zinc/02/05/01/207020501.db2.gz FGZMPYPUEQXASG-INIZCTEOSA-N 0 0 356.426 3.717 50 30 FHEARN CCC/C(=N\NS(=O)(=O)c1ccc(OC)cc1)c1ccc(Cl)s1 ZINC000004651807 207034722 /nfs/dbraw/zinc/03/47/22/207034722.db2.gz BBIKWMSBTOHGID-GHRIWEEISA-N 0 0 372.899 3.893 50 30 FHEARN COc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2C#N)C1=O ZINC000004681874 207038025 /nfs/dbraw/zinc/03/80/25/207038025.db2.gz JNSSUOSFDWTWRU-LICLKQGHSA-N 0 0 350.399 3.803 50 30 FHEARN COc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 ZINC000004914466 207061729 /nfs/dbraw/zinc/06/17/29/207061729.db2.gz CNGDWXXYKYMNOX-PBHICJAKSA-N 0 0 365.404 3.839 50 30 FHEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1Cc1ccccc1Cl ZINC000005010612 207072331 /nfs/dbraw/zinc/07/23/31/207072331.db2.gz GGAGEROZVJVMGZ-UHFFFAOYSA-N 0 0 355.850 3.662 50 30 FHEARN O=C(O/N=C1/Sc2ccccc2C1=O)c1ccccc1Br ZINC000005053591 207076389 /nfs/dbraw/zinc/07/63/89/207076389.db2.gz MWWGWWNSCFQERE-SAPNQHFASA-N 0 0 362.204 3.908 50 30 FHEARN C=CCN1C(=O)[C@H](Cc2ccc(C)cc2)S/C1=N/N=C/c1ccco1 ZINC000005009809 207070341 /nfs/dbraw/zinc/07/03/41/207070341.db2.gz XKBNQNLRNWATHJ-XVEDWSDESA-N 0 0 353.447 3.651 50 30 FHEARN CCOC(=O)Cc1cc(OC)c(OC)cc1C(C)=NNc1ccccc1 ZINC000005073758 207078833 /nfs/dbraw/zinc/07/88/33/207078833.db2.gz GKRPVOGKNVGUTN-KGENOOAVSA-N 0 0 356.422 3.646 50 30 FHEARN O=C(O/N=C1/Sc2ccccc2C1=O)c1cccc(Br)c1 ZINC000005069749 207079570 /nfs/dbraw/zinc/07/95/70/207079570.db2.gz KXXUCHYIDDSDKL-SAPNQHFASA-N 0 0 362.204 3.908 50 30 FHEARN O=C1Nc2ccc([N+](=O)[O-])cc2C1=NNc1cccc(Cl)c1Cl ZINC000005093487 207080953 /nfs/dbraw/zinc/08/09/53/207080953.db2.gz OOPDLCUGEKEIRH-UHFFFAOYSA-N 0 0 351.149 3.670 50 30 FHEARN COc1cc(/N=C/c2cc(Br)ccc2O)cc(OC)c1OC ZINC000005286871 207091865 /nfs/dbraw/zinc/09/18/65/207091865.db2.gz NJDFLOGYPYOJFW-GIJQJNRQSA-N 0 0 366.211 3.931 50 30 FHEARN C/C(=N\N=C1/NC(=O)[C@H](Cc2ccccc2)S1)c1ccc(Cl)cc1 ZINC000005214334 207087709 /nfs/dbraw/zinc/08/77/09/207087709.db2.gz GVZQMKQFOPTAKT-GKXUUXLPSA-N 0 0 357.866 3.894 50 30 FHEARN O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1 ZINC000005448751 207101315 /nfs/dbraw/zinc/10/13/15/207101315.db2.gz XWNUEAIVSCNWEA-FQEVSTJZSA-N 0 0 370.408 3.860 50 30 FHEARN CSc1nnc(-c2ccccc2)n1/N=C/c1cc2c(cc1Cl)OCO2 ZINC000005515352 207104397 /nfs/dbraw/zinc/10/43/97/207104397.db2.gz WBKFBDBVXRDNSJ-DJKKODMXSA-N 0 0 372.837 3.931 50 30 FHEARN Cc1nn(-c2ccccc2)c(C)c1C=NN1C(=S)N=NC1c1ccco1 ZINC000005576575 207106976 /nfs/dbraw/zinc/10/69/76/207106976.db2.gz WUMROMNUWQCXLN-YBFXNURJSA-N 0 0 364.434 3.512 50 30 FHEARN CC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2Br)NC(=O)N1 ZINC000005783743 207116149 /nfs/dbraw/zinc/11/61/49/207116149.db2.gz CQOAJRRMJHNRCC-INIZCTEOSA-N 0 0 371.234 3.960 50 30 FHEARN N#Cc1ccc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 ZINC000005868107 207120130 /nfs/dbraw/zinc/12/01/30/207120130.db2.gz UCDAXBYYKUXRKB-UHFFFAOYSA-N 0 0 356.381 3.807 50 30 FHEARN CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccccc1Cl ZINC000005669021 207110911 /nfs/dbraw/zinc/11/09/11/207110911.db2.gz ZGWLRZNKDSJIEB-SFHVURJKSA-N 0 0 355.821 3.867 50 30 FHEARN O=C1CS/C(=N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1 ZINC000005649275 207111078 /nfs/dbraw/zinc/11/10/78/207111078.db2.gz XWBINBCBRQVSJN-UBKPWBPPSA-N 0 0 354.218 3.806 50 30 FHEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)NC(=O)N1 ZINC000006046336 207126964 /nfs/dbraw/zinc/12/69/64/207126964.db2.gz LBIPFMSWHQXASD-QGZVFWFLSA-N 0 0 370.792 3.580 50 30 FHEARN COc1cccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000005917224 207121985 /nfs/dbraw/zinc/12/19/85/207121985.db2.gz HHKMNHMGQBVIBR-GOSISDBHSA-N 0 0 365.429 3.859 50 30 FHEARN COc1cc(/C=C/C(=O)Nc2ccc(C#N)c(Cl)c2)cc(OC)c1OC ZINC000006588758 207147162 /nfs/dbraw/zinc/14/71/62/207147162.db2.gz NZRQQKKRZSPWRN-QPJJXVBHSA-N 0 0 372.808 3.889 50 30 FHEARN C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)Nc1ccc(C#N)cc1 ZINC000006462867 207140292 /nfs/dbraw/zinc/14/02/92/207140292.db2.gz KXMAQLKCFDBYHO-SNVBAGLBSA-N 0 0 356.432 3.789 50 30 FHEARN CCOC(=O)c1sc(N)c(C#N)c1CSc1nc2cc(C)ccc2[nH]1 ZINC000006505804 207143213 /nfs/dbraw/zinc/14/32/13/207143213.db2.gz KDRNKUXDTUDEMX-UHFFFAOYSA-N 0 0 372.475 3.856 50 30 FHEARN N#Cc1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)cc1 ZINC000006510467 207144087 /nfs/dbraw/zinc/14/40/87/207144087.db2.gz QCDOKVZFZCXQBD-UHFFFAOYSA-N 0 0 366.380 3.510 50 30 FHEARN C[C@H](OC(=O)/C=C/c1ccc2ccccc2n1)C(=O)Nc1ccccc1C#N ZINC000006558498 207146534 /nfs/dbraw/zinc/14/65/34/207146534.db2.gz VTLUHIWPIJZFHH-LHNRBYRGSA-N 0 0 371.396 3.690 50 30 FHEARN N#Cc1nc2ccccc2n1Cc1csc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000006659177 207151695 /nfs/dbraw/zinc/15/16/95/207151695.db2.gz RSHDOSMQPRWFBD-UHFFFAOYSA-N 0 0 361.386 3.988 50 30 FHEARN CCOc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2nc(SCC)nn21 ZINC000006738238 207158424 /nfs/dbraw/zinc/15/84/24/207158424.db2.gz HCEJHTGJDVBQMC-QGZVFWFLSA-N 0 0 370.478 3.811 50 30 FHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000006782331 207163738 /nfs/dbraw/zinc/16/37/38/207163738.db2.gz OENSUVZQKUMQDT-SFHVURJKSA-N 0 0 369.417 3.628 50 30 FHEARN N#Cc1cc(NC(=O)c2cccs2)c(=O)n2c3ccccc3sc12 ZINC000006785377 207165032 /nfs/dbraw/zinc/16/50/32/207165032.db2.gz MEJBEKHQROPFGV-UHFFFAOYSA-N 0 0 351.412 3.700 50 30 FHEARN COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3C)NC2=O)ccc1O ZINC000006922359 207179138 /nfs/dbraw/zinc/17/91/38/207179138.db2.gz OVQYTFHWNCAIBN-YVLHZVERSA-N 0 0 354.431 3.909 50 30 FHEARN Cn1ncc(Br)c1/C=C\C(=O)c1ccc(OC(F)F)cc1 ZINC000006925451 207179150 /nfs/dbraw/zinc/17/91/50/207179150.db2.gz MGXJPFJAUXQPES-SREVYHEPSA-N 0 0 357.154 3.680 50 30 FHEARN N#Cc1cccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1 ZINC000007217450 207190650 /nfs/dbraw/zinc/19/06/50/207190650.db2.gz PWOGHYISXZDGCW-INIZCTEOSA-N 0 0 369.471 3.694 50 30 FHEARN CC(C)CNc1nnc(S[C@@H](C)C(=O)Nc2cccc(C#N)c2)s1 ZINC000007249965 207192384 /nfs/dbraw/zinc/19/23/84/207192384.db2.gz BYCRDWBJPHDVGU-NSHDSACASA-N 0 0 361.496 3.597 50 30 FHEARN Cc1cc(-n2c(C)cc(/C=C3\S/C(=N\C4CCCC4)NC3=O)c2C)no1 ZINC000007813634 207208853 /nfs/dbraw/zinc/20/88/53/207208853.db2.gz AQXGBOOPSVWOQX-YBEGLDIGSA-N 0 0 370.478 3.893 50 30 FHEARN N#Cc1ccc(-c2csc(NC(=O)c3cnc4ccccc4n3)n2)cc1 ZINC000007988075 207215147 /nfs/dbraw/zinc/21/51/47/207215147.db2.gz KCWVWPGTHFWQLB-UHFFFAOYSA-N 0 0 357.398 3.877 50 30 FHEARN CCCCc1ccc(N2CC(=O)C(c3nc4cc(C)ccc4[nH]3)=C2N)cc1 ZINC000007995051 207216459 /nfs/dbraw/zinc/21/64/59/207216459.db2.gz LTBOUZOUHDDVQW-UHFFFAOYSA-N 0 0 360.461 3.931 50 30 FHEARN COc1ccc2cc(CN(C)C(=O)COc3ccc(C#N)cc3)ccc2c1 ZINC000007890349 207210443 /nfs/dbraw/zinc/21/04/43/207210443.db2.gz ZLVFLURZZINNHT-UHFFFAOYSA-N 0 0 360.413 3.757 50 30 FHEARN CCN(Cc1ccc(OC)c(F)c1)[C@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000008130941 207221018 /nfs/dbraw/zinc/22/10/18/207221018.db2.gz MQYABUDAACPFIB-CQSZACIVSA-N 0 0 355.413 3.555 50 30 FHEARN CCCCCCCCCn1c(SCCC)nc2c1c(=O)[nH]c(=O)n2C ZINC000008435039 207234386 /nfs/dbraw/zinc/23/43/86/207234386.db2.gz JTCOMSSDFMGBCW-UHFFFAOYSA-N 0 0 366.531 3.676 50 30 FHEARN COc1ccc(C(=O)ON=C2CCCCC2)cc1I ZINC000008493179 207235509 /nfs/dbraw/zinc/23/55/09/207235509.db2.gz ZSKGAMOZFPGYKK-UHFFFAOYSA-N 0 0 373.190 3.777 50 30 FHEARN CCOC(=O)c1sc2nc(OCC)c(C#N)c(-c3ccccc3)c2c1N ZINC000008715023 207243340 /nfs/dbraw/zinc/24/33/40/207243340.db2.gz KUQBFJXMQBBINJ-UHFFFAOYSA-N 0 0 367.430 3.993 50 30 FHEARN CC(C)C[C@@H](NC(=O)COc1ccccc1C#N)c1nc2ccccc2[nH]1 ZINC000009155787 207259235 /nfs/dbraw/zinc/25/92/35/207259235.db2.gz GVKGQGYHNOKNEE-GOSISDBHSA-N 0 0 362.433 3.717 50 30 FHEARN CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1cccc(C#N)c1 ZINC000009228255 207262481 /nfs/dbraw/zinc/26/24/81/207262481.db2.gz NIUUJHWIKWNRNL-UHFFFAOYSA-N 0 0 367.430 3.885 50 30 FHEARN N#Cc1c(SCCC(N)=O)nc(-c2ccccc2)cc1C(F)(F)F ZINC000009422444 207270973 /nfs/dbraw/zinc/27/09/73/207270973.db2.gz KVUVZBWJBLBAMI-UHFFFAOYSA-N 0 0 351.353 3.607 50 30 FHEARN Cc1c(C)n(-c2ccccn2)c(NC(=O)COc2c(C)cccc2C)c1C#N ZINC000009423547 207271594 /nfs/dbraw/zinc/27/15/94/207271594.db2.gz OUWSRETUBWFSEG-UHFFFAOYSA-N 0 0 374.444 3.995 50 30 FHEARN O=C1C[C@H](c2ccco2)CC2=Nc3ncnn3[C@@H](c3ccccc3Cl)C12 ZINC000009483829 207274200 /nfs/dbraw/zinc/27/42/00/207274200.db2.gz TUGZBJLXSWEOBG-ZMZPIMSZSA-N 0 0 366.808 3.940 50 30 FHEARN O=C1N/C(=N\N=C\c2ccco2)S[C@H]1Cc1cc(Cl)ccc1Cl ZINC000009332126 207267675 /nfs/dbraw/zinc/26/76/75/207267675.db2.gz WZHOLXVPAMJGMH-VFJJTOLMSA-N 0 0 368.245 3.751 50 30 FHEARN N#Cc1ccc(COC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)c(F)c1 ZINC000011228208 207311488 /nfs/dbraw/zinc/31/14/88/207311488.db2.gz IMJICNJJDVLNJN-UHFFFAOYSA-N 0 0 355.325 3.537 50 30 FHEARN Cc1ccc(/N=C2/C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1Br ZINC000012462177 207380225 /nfs/dbraw/zinc/38/02/25/207380225.db2.gz JCSOCJZRBVTDAW-UHFFFAOYSA-N 0 0 360.167 3.739 50 30 FHEARN CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNc2ccc(O)cc2)C1=O ZINC000012512880 207384125 /nfs/dbraw/zinc/38/41/25/207384125.db2.gz SLVFFRIZRCDEST-PTNGSMBKSA-N 0 0 363.369 3.692 50 30 FHEARN Cc1ccccc1-n1cnnc1S[C@H](C)C(=O)Nc1sccc1C#N ZINC000012533660 207386655 /nfs/dbraw/zinc/38/66/55/207386655.db2.gz QHSSNCABTLEOTJ-GFCCVEGCSA-N 0 0 369.475 3.628 50 30 FHEARN CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000012563091 207393210 /nfs/dbraw/zinc/39/32/10/207393210.db2.gz IDVAYSIKTOZOQG-UONOGXRCSA-N 0 0 365.433 3.719 50 30 FHEARN CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cccc(C#N)c1)O[C@H](C)C2 ZINC000012564896 207393299 /nfs/dbraw/zinc/39/32/99/207393299.db2.gz OGDZWQFACILHGL-KGLIPLIRSA-N 0 0 365.433 3.719 50 30 FHEARN COc1cc(C#N)ccc1OC(=O)c1cc(C2CC2)nn1-c1ccccc1 ZINC000012868435 207429883 /nfs/dbraw/zinc/42/98/83/207429883.db2.gz HETVJPFLFBHTEJ-UHFFFAOYSA-N 0 0 359.385 3.849 50 30 FHEARN COc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000013692875 207475695 /nfs/dbraw/zinc/47/56/95/207475695.db2.gz NZPOXDZKAOJHSE-QGZVFWFLSA-N 0 0 370.405 3.573 50 30 FHEARN CCOc1ncccc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 ZINC000014168866 207507290 /nfs/dbraw/zinc/50/72/90/207507290.db2.gz CYOGTMYDSCHDTH-UHFFFAOYSA-N 0 0 350.403 3.728 50 30 FHEARN N#Cc1ccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1 ZINC000014419629 207517551 /nfs/dbraw/zinc/51/75/51/207517551.db2.gz AHKZIAGUIXUPRB-UHFFFAOYSA-N 0 0 374.440 3.797 50 30 FHEARN Cc1cc2c(c(C)c1)NC(=O)/C2=C1\S/C(=N\c2ccc(F)cc2)NC1=O ZINC000015015992 207538473 /nfs/dbraw/zinc/53/84/73/207538473.db2.gz YZJCNSAUJIVECW-PEZBUJJGSA-N 0 0 367.405 3.656 50 30 FHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cccnc2)cc1 ZINC000019138735 207645168 /nfs/dbraw/zinc/64/51/68/207645168.db2.gz SSDLHAWEYWRYBI-GOSISDBHSA-N 0 0 350.418 3.624 50 30 FHEARN Cc1cc2c(c(C)c1)NC(=O)/C2=C1/S/C(=N\c2ccc(F)cc2)NC1=O ZINC000038177360 207894568 /nfs/dbraw/zinc/89/45/68/207894568.db2.gz YZJCNSAUJIVECW-JQIJEIRASA-N 0 0 367.405 3.656 50 30 FHEARN COC(=O)c1ccc(CN=Nc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000030735474 208005026 /nfs/dbraw/zinc/00/50/26/208005026.db2.gz OERKMHKTHMNFNV-YVNNLAQVSA-N 0 0 366.446 3.803 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2[nH]ccc2c1 ZINC000032093739 208023814 /nfs/dbraw/zinc/02/38/14/208023814.db2.gz AUNQZGLDAICRJL-LJQANCHMSA-N 0 0 364.445 3.945 50 30 FHEARN N#Cc1ccc(COC(=O)c2cccc(OC[C@@H]3CCCO3)c2)c(F)c1 ZINC000032903174 208055352 /nfs/dbraw/zinc/05/53/52/208055352.db2.gz KZXKNIWQJYCWHZ-SFHVURJKSA-N 0 0 355.365 3.612 50 30 FHEARN N#Cc1ccc(OCCN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 ZINC000032945316 208060835 /nfs/dbraw/zinc/06/08/35/208060835.db2.gz GTXNMVWAVTVESO-UHFFFAOYSA-N 0 0 361.184 3.540 50 30 FHEARN N#Cc1cccc(NC(=O)CSCc2nc(-c3cccs3)no2)c1 ZINC000036398513 208164242 /nfs/dbraw/zinc/16/42/42/208164242.db2.gz YSTKYKCDMOBDJF-UHFFFAOYSA-N 0 0 356.432 3.542 50 30 FHEARN S=C1N=NCN1N=Cc1ccc(COc2ccc(Cl)c(Cl)c2)o1 ZINC000036611076 208165402 /nfs/dbraw/zinc/16/54/02/208165402.db2.gz KFVPBULDIMZMEG-NGYBGAFCSA-N 0 0 369.233 3.928 50 30 FHEARN Cc1sc(NC(=O)c2cc(-c3ccccc3)nc3ncnn32)c(C#N)c1C ZINC000036619166 208168383 /nfs/dbraw/zinc/16/83/83/208168383.db2.gz AQAFXXWUEMCQGQ-UHFFFAOYSA-N 0 0 374.429 3.594 50 30 FHEARN CN1C=C(C(=O)c2ccc3c(c2)OCCO3)c2[nH]c3ccccc3c2CC1 ZINC000079190958 208232065 /nfs/dbraw/zinc/23/20/65/208232065.db2.gz CSRYDCGOGHCMKK-UHFFFAOYSA-N 0 0 360.413 3.651 50 30 FHEARN COc1ccc(C(=O)C2=CN(C)CCc3c4ccccc4[nH]c32)cc1OC ZINC000079191903 208235189 /nfs/dbraw/zinc/23/51/89/208235189.db2.gz NVJQDWAACMZZLF-UHFFFAOYSA-N 0 0 362.429 3.897 50 30 FHEARN CCN(C(=O)NCc1ccc2c(c1)OCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000040151629 208236316 /nfs/dbraw/zinc/23/63/16/208236316.db2.gz ZOOGQZAYOIXIGJ-AWEZNQCLSA-N 0 0 351.406 3.580 50 30 FHEARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2ncc(C#N)c2N1 ZINC000040288097 208247346 /nfs/dbraw/zinc/24/73/46/208247346.db2.gz QGQOWAQBJSNTKD-LJQANCHMSA-N 0 0 355.401 3.682 50 30 FHEARN N#Cc1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000040478296 208254067 /nfs/dbraw/zinc/25/40/67/208254067.db2.gz ZZWTYDAUZRMWLL-UHFFFAOYSA-N 0 0 367.206 3.963 50 30 FHEARN Cc1nc(SCC(=O)OCc2ccc(C#N)cc2F)c(C#N)c(C)c1C ZINC000054155178 208453297 /nfs/dbraw/zinc/45/32/97/208453297.db2.gz GWCZZMOKCOOBMI-UHFFFAOYSA-N 0 0 369.421 3.725 50 30 FHEARN N#C[C@@H](C(=O)c1ccnc(Cl)c1)c1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000054430157 208456550 /nfs/dbraw/zinc/45/65/50/208456550.db2.gz CAUBCEFQVNDQBR-NSHDSACASA-N 0 0 359.172 3.527 50 30 FHEARN N#C[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1Br ZINC000058202561 208566690 /nfs/dbraw/zinc/56/66/90/208566690.db2.gz VLMWYHRNWNBASF-OFAQMXQXSA-N 0 0 355.235 3.713 50 30 FHEARN COc1ccc(C#N)cc1NC(=O)Cc1csc(-c2ccc(C)o2)n1 ZINC000058246020 208572934 /nfs/dbraw/zinc/57/29/34/208572934.db2.gz XFOHUKUMHLRFIM-UHFFFAOYSA-N 0 0 353.403 3.773 50 30 FHEARN N#Cc1ccc([C@@H]2c3[nH]cnc3CCN2Cc2ccc3ccccc3n2)cc1 ZINC000072477438 208873061 /nfs/dbraw/zinc/87/30/61/208873061.db2.gz YULSRFNZYGOROM-HSZRJFAPSA-N 0 0 365.440 3.977 50 30 FHEARN CC(=O)Nc1cccc([S@](=O)C(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000005412300 209444847 /nfs/dbraw/zinc/44/48/47/209444847.db2.gz OOSBYRCHSWWRBL-JOCHJYFZSA-N 0 0 351.243 3.543 50 30 FHEARN CCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1ccc(C#N)cc1 ZINC000096005562 209095323 /nfs/dbraw/zinc/09/53/23/209095323.db2.gz DTFIGIFECBMCQR-KRWDZBQOSA-N 0 0 372.469 3.812 50 30 FHEARN Cc1cc(C)c(C#N)c(N2CCC[C@@H](c3nccn3Cc3ccncc3)C2)n1 ZINC000095520054 132213769 /nfs/dbraw/zinc/21/37/69/132213769.db2.gz ZIRDDRLQNUMUJS-LJQANCHMSA-N 0 0 372.476 3.594 50 30 FHEARN Cc1csc([C@H]2CN(c3ccc(C#N)cc3Br)CCO2)n1 ZINC000170590989 132264282 /nfs/dbraw/zinc/26/42/82/132264282.db2.gz AWJILMHBRWDUEU-CQSZACIVSA-N 0 0 364.268 3.664 50 30 FHEARN CCOc1ccc(-c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)cc1 ZINC000002364701 132383379 /nfs/dbraw/zinc/38/33/79/132383379.db2.gz VOQOVJJOGUFKEF-UHFFFAOYSA-N 0 0 374.444 3.939 50 30 FHEARN COc1ccccc1-c1nc(C#N)c(N2CCN(c3ccccc3)CC2)o1 ZINC000002431752 132383476 /nfs/dbraw/zinc/38/34/76/132383476.db2.gz ZHXAAIPSGHPYMM-UHFFFAOYSA-N 0 0 360.417 3.548 50 30 FHEARN Oc1ccc(Br)c(/C=N/c2ccc(N3CCOCC3)cc2)c1 ZINC000003151339 132384927 /nfs/dbraw/zinc/38/49/27/132384927.db2.gz ZDQWPDIUCKURIP-XDHOZWIPSA-N 0 0 361.239 3.742 50 30 FHEARN Cc1ccc(C(=O)ON=C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000004053260 132386197 /nfs/dbraw/zinc/38/61/97/132386197.db2.gz GNDTZADVJAPKKZ-UHFFFAOYSA-N 0 0 353.378 3.716 50 30 FHEARN N#Cc1cnc2ccc(Cl)cc2c1N1CCC(C(=O)N2CCCC2)CC1 ZINC000064473757 136133120 /nfs/dbraw/zinc/13/31/20/136133120.db2.gz BEAPOIWTFLUIOT-UHFFFAOYSA-N 0 0 368.868 3.599 50 30 FHEARN Cc1cccc(N2CCc3nc(N)c(C#N)c(-c4cccnc4)c3C2)c1C ZINC000071759013 136140464 /nfs/dbraw/zinc/14/04/64/136140464.db2.gz KMPYTAUERHIBQG-UHFFFAOYSA-N 0 0 355.445 3.777 50 30 FHEARN C=CCOC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(OCCCC)cc1 ZINC000002910924 263327839 /nfs/dbraw/zinc/32/78/39/263327839.db2.gz SBTZFYRYGQSDTF-XDJHFCHBSA-N 0 0 369.417 3.959 50 30 FHEARN CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc(-c2ccccc2)cc1 ZINC000003535304 263329899 /nfs/dbraw/zinc/32/98/99/263329899.db2.gz IIQPGEIXXDAUSV-NRFANRHFSA-N 0 0 350.418 3.565 50 30 FHEARN C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000004590929 263334504 /nfs/dbraw/zinc/33/45/04/263334504.db2.gz YFWZVQMTKBZPCO-LJQANCHMSA-N 0 0 364.401 3.836 50 30 FHEARN CCOc1ccc(-c2csc(N=NCc3ccc4c(c3)OCO4)n2)cc1 ZINC000005247676 263339755 /nfs/dbraw/zinc/33/97/55/263339755.db2.gz HAYINKSVDDHUGF-KEBDBYFISA-N 0 0 367.430 3.805 50 30 FHEARN C=CCc1ccccc1OCc1cc(=O)n2nc(SC(C)C)sc2n1 ZINC000006738854 263346559 /nfs/dbraw/zinc/34/65/59/263346559.db2.gz SZUOCJRXZATHOY-UHFFFAOYSA-N 0 0 373.503 3.959 50 30 FHEARN C#CC(CC)(CC)NC(=O)CSc1nc(C)nc2sc3c(c21)CCC3 ZINC000009154421 263359849 /nfs/dbraw/zinc/35/98/49/263359849.db2.gz QVEAKXGHYRXAIH-UHFFFAOYSA-N 0 0 373.547 3.889 50 30 FHEARN C=C(C)CN(CC)C(=O)c1coc(COc2cccc3cccnc32)n1 ZINC000012093731 263369131 /nfs/dbraw/zinc/36/91/31/263369131.db2.gz SEXPTJSMIWNABO-UHFFFAOYSA-N 0 0 351.406 3.840 50 30 FHEARN C(=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1)\c1cccnc1 ZINC000019771352 263376478 /nfs/dbraw/zinc/37/64/78/263376478.db2.gz SJQPACGPLUYNPU-NCELDCMTSA-N 0 0 356.473 3.823 50 30 FHEARN C#CCOc1ccc(/C=C2\N=C(/C=C/c3ccccc3)OC2=O)cc1OC ZINC000022298706 263386412 /nfs/dbraw/zinc/38/64/12/263386412.db2.gz STHSOGPQFSGCGR-ZOCPVQLTSA-N 0 0 359.381 3.717 50 30 FHEARN CC(=O)c1ccc(OCCCC(=O)Nc2ccc(OCC#N)cc2)cc1 ZINC000023150317 263386849 /nfs/dbraw/zinc/38/68/49/263386849.db2.gz BMLURQPARHTZKG-UHFFFAOYSA-N 0 0 352.390 3.589 50 30 FHEARN Brc1ccc(C=NN2CCN(Cc3ccccc3)CC2)cc1 ZINC000239203191 518211374 /nfs/dbraw/zinc/21/13/74/518211374.db2.gz RXTBFFWCGVIGEM-UHFFFAOYSA-N 0 0 358.283 3.601 50 30 FHEARN C#CCN(Cc1ccccc1Cl)C(=O)c1cc2c(C)nn(C)c2s1 ZINC000058139245 518259935 /nfs/dbraw/zinc/25/99/35/518259935.db2.gz NKNGJXXECKXZKW-UHFFFAOYSA-N 0 0 357.866 3.872 50 30 FHEARN C#CCOc1ccc(/C=C\C(=O)c2ccc(O)c(OC)c2)cc1OCC ZINC000096054732 518320662 /nfs/dbraw/zinc/32/06/62/518320662.db2.gz GCFBTCPDUOZPIP-TWGQIWQCSA-N 0 0 352.386 3.708 50 30 FHEARN C#CCOc1ccc(/C=C2\N=C(/C=C\c3ccccc3)OC2=O)cc1OC ZINC000033478482 518321771 /nfs/dbraw/zinc/32/17/71/518321771.db2.gz STHSOGPQFSGCGR-KHYUPNNASA-N 0 0 359.381 3.717 50 30 FHEARN C#CCn1c2ccccc2s/c1=N\C(=O)c1ccccc1Br ZINC000100875172 518345082 /nfs/dbraw/zinc/34/50/82/518345082.db2.gz MJIJXYSXWNVPNJ-ZPHPHTNESA-N 0 0 371.259 3.840 50 30 FHEARN C#Cc1cccc(NC(=O)N2CCC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC000058307586 518364747 /nfs/dbraw/zinc/36/47/47/518364747.db2.gz JXOLJXSPLRHERH-QGZVFWFLSA-N 0 0 371.481 3.779 50 30 FHEARN C=C(C)COc1ccccc1NC(=O)N1CCC(Oc2ncccn2)CC1 ZINC000096162756 518622977 /nfs/dbraw/zinc/62/29/77/518622977.db2.gz HGZAQKJDHKHARY-UHFFFAOYSA-N 0 0 368.437 3.507 50 30 FHEARN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cnn(-c2cccc(Cl)c2)c1C ZINC000225495930 518645099 /nfs/dbraw/zinc/64/50/99/518645099.db2.gz CSODFZYEAZQUPE-KSSFIOAISA-N 0 0 359.857 3.545 50 30 FHEARN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cnn(-c2cccc(Cl)c2)c1C ZINC000225495902 518647399 /nfs/dbraw/zinc/64/73/99/518647399.db2.gz CSODFZYEAZQUPE-RDTXWAMCSA-N 0 0 359.857 3.545 50 30 FHEARN C=C/C=C/CC1=C(C)[C@@H](OC(=O)[C@@H]2[C@H](/C=C(\C)C(=O)OC)C2(C)C)CC1=O ZINC000033844941 518656355 /nfs/dbraw/zinc/65/63/55/518656355.db2.gz VJFUPGQZSXIULQ-VJEUYKMZSA-N 0 0 372.461 3.711 50 30 FHEARN C=CCN(C(=O)c1ccc(OC)c(OC)c1)c1nc2c(s1)CCCC2 ZINC000009503628 518739283 /nfs/dbraw/zinc/73/92/83/518739283.db2.gz RQZNPDRYCHMEQM-UHFFFAOYSA-N 0 0 358.463 3.872 50 30 FHEARN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cnn(-c2ccccc2)n1 ZINC000008074824 518780814 /nfs/dbraw/zinc/78/08/14/518780814.db2.gz VQVFITLBCAZXPU-UHFFFAOYSA-N 0 0 358.854 3.811 50 30 FHEARN C=CCNC(=S)N/N=C/c1cc(Cl)ccc1OCc1ccccc1 ZINC000004511015 518948131 /nfs/dbraw/zinc/94/81/31/518948131.db2.gz RQVAODSZPKRKIX-CIAFOILYSA-N 0 0 359.882 3.903 50 30 FHEARN C=CCc1cc(C)ccc1OCCOCCn1cnc2ccccc2c1=O ZINC000003000425 519130863 /nfs/dbraw/zinc/13/08/63/519130863.db2.gz 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/nfs/dbraw/zinc/23/90/64/519239064.db2.gz YXTBSPUHWQNOJW-UHFFFAOYSA-N 0 0 366.446 3.605 50 30 FHEARN C=CCn1c(S[C@H](C)C(=O)NC2CC2)nnc1-c1ccc(Cl)cc1 ZINC000005130428 519257109 /nfs/dbraw/zinc/25/71/09/519257109.db2.gz QDNBQTKHCDXPHV-LLVKDONJSA-N 0 0 362.886 3.544 50 30 FHEARN C=CCn1c(S[C@H](C)C(=O)Nc2nccs2)nnc1-c1ccccc1 ZINC000004814613 519258030 /nfs/dbraw/zinc/25/80/30/519258030.db2.gz BUCKUYFXILBDNP-GFCCVEGCSA-N 0 0 371.491 3.707 50 30 FHEARN C=CCn1c2ccccc2nc1SCc1cc(=O)n2c(C)csc2n1 ZINC000004485673 519269464 /nfs/dbraw/zinc/26/94/64/519269464.db2.gz VTXPEEUKNNVRKX-UHFFFAOYSA-N 0 0 368.487 3.892 50 30 FHEARN CC(=O)OCC(=O)C1=CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@@]12C ZINC000253530020 519754888 /nfs/dbraw/zinc/75/48/88/519754888.db2.gz UFEOMHFPJREVTP-OVNVTHAWSA-N 0 0 366.457 3.883 50 30 FHEARN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C ZINC000253501772 519758168 /nfs/dbraw/zinc/75/81/68/519758168.db2.gz QXTWZEGENLVVRE-PCEJQYDGSA-N 0 0 368.473 3.961 50 30 FHEARN CC(C)COc1nc2ccccc2nc1[C@H](C#N)C(=O)NC1CCCCC1 ZINC000004327439 519766057 /nfs/dbraw/zinc/76/60/57/519766057.db2.gz RHWMGAPRTSSTAJ-INIZCTEOSA-N 0 0 366.465 3.721 50 30 aggregator FHEARN CC(C)[C@@H]1/C=C/C[C@](C)(O)C[C@@H]2O[C@@]2(C)C[C@H]1OC(=O)c1ccc(O)cc1 ZINC000253487371 519801724 /nfs/dbraw/zinc/80/17/24/519801724.db2.gz JJEBKVFRHNKOBW-ABYQTFABSA-N 0 0 374.477 3.838 50 30 FHEARN CCCCCCCNC1=C(C(=O)CCC)C(O)=C(C(=O)OC)C(C)(C)C1 ZINC000100319794 520055066 /nfs/dbraw/zinc/05/50/66/520055066.db2.gz PBBGNTOZCRYZCV-GOSISDBHSA-N 0 0 365.514 3.958 50 30 FHEARN CCCCCCc1ccc(C(=O)Cn2nc(C)c(C)c(C#N)c2=O)cc1 ZINC000040057347 520136469 /nfs/dbraw/zinc/13/64/69/520136469.db2.gz KKAPQOUGYKQUPY-UHFFFAOYSA-N 0 0 351.450 3.738 50 30 FHEARN CCOc1cc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)ccc1O ZINC000007325148 520618155 /nfs/dbraw/zinc/61/81/55/520618155.db2.gz DLHKFJBDSRLXEZ-VZUCSPMQSA-N 0 0 351.402 3.814 50 30 FHEARN CCOc1ccc(C2N=NC(=S)N2N=NC=C(C)Cc2ccco2)cc1 ZINC000002544583 520824163 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COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(C)cc1 ZINC000013570295 523277049 /nfs/dbraw/zinc/27/70/49/523277049.db2.gz GGOVDAMAXPTSJO-GOSISDBHSA-N 0 0 369.417 3.511 50 30 FHEARN COc1ccc(C(=O)C=CNc2ccc(N3CCC(=O)CC3)cc2)cc1 ZINC000001381944 523539603 /nfs/dbraw/zinc/53/96/03/523539603.db2.gz HSDVEEYLPJOMBF-JLHYYAGUSA-N 0 0 350.418 3.673 50 30 FHEARN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)/N=C\c1cc(Cl)ccc1O ZINC000108478671 523592510 /nfs/dbraw/zinc/59/25/10/523592510.db2.gz INYIFQCNDLVPRJ-FIJRTHIRSA-N 0 0 356.809 3.730 50 30 FHEARN CN(C(=O)CSc1nc(-c2ccc(F)cc2)c[nH]1)C1(C#N)CCCCC1 ZINC000037115810 523839465 /nfs/dbraw/zinc/83/94/65/523839465.db2.gz MOVUHGAHISGVND-UHFFFAOYSA-N 0 0 372.469 3.993 50 30 FHEARN COc1ccc(CCC2CCN(CC(=O)Nc3nnc(C)s3)CC2)cc1 ZINC000024097213 523927082 /nfs/dbraw/zinc/92/70/82/523927082.db2.gz WEFVPSHMGYSNTG-UHFFFAOYSA-N 0 0 374.510 3.788 50 30 FHEARN Cc1cccc(C=NN2C(=S)N=NC2c2cc(-c3ccccc3)n[nH]2)c1 ZINC000006785756 524154778 /nfs/dbraw/zinc/15/47/78/524154778.db2.gz 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N#CC1(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)CCCC1 ZINC000006351655 526436726 /nfs/dbraw/zinc/43/67/26/526436726.db2.gz DXJAPLNAEOSAEY-UHFFFAOYSA-N 0 0 364.401 3.588 50 30 FHEARN N#CC1(NC(=O)COC(=O)c2sc3ccccc3c2Cl)CCCC1 ZINC000004870924 526437812 /nfs/dbraw/zinc/43/78/12/526437812.db2.gz BNTLDBDKUHXHOO-UHFFFAOYSA-N 0 0 362.838 3.664 50 30 FHEARN N#CC1CCN(C(=O)NCc2cccc(COCc3ccccc3)c2)CC1 ZINC000058249086 526439853 /nfs/dbraw/zinc/43/98/53/526439853.db2.gz IWGSBKVDUGUESV-UHFFFAOYSA-N 0 0 363.461 3.849 50 30 FHEARN N#CCc1ccc(NCc2nc3ccccc3c(=O)n2Cc2ccco2)cc1 ZINC000009368581 526484068 /nfs/dbraw/zinc/48/40/68/526484068.db2.gz FYRLVGAHRBMGHG-UHFFFAOYSA-N 0 0 370.412 3.716 50 30 FHEARN N#Cc1cnn(-c2ccc(C(=O)N(CC3CCC3)c3ccccc3)cc2)c1N ZINC000079054301 526777365 /nfs/dbraw/zinc/77/73/65/526777365.db2.gz UJGCWNGCCYCOLH-UHFFFAOYSA-N 0 0 371.444 3.773 50 30 FHEARN O=C(Cc1cccc2ccccc21)NCC#CCN1CCc2ccccc2C1 ZINC000070641616 527273658 /nfs/dbraw/zinc/27/36/58/527273658.db2.gz FBQUVHMWHJNLLC-UHFFFAOYSA-N 0 0 368.480 3.560 50 30 FHEARN O=C(Nc1ccccc1)C(=NNc1ccccc1)C(=O)Nc1ccccc1 ZINC000001203164 527389821 /nfs/dbraw/zinc/38/98/21/527389821.db2.gz XTRHRIBVFUEDJC-UHFFFAOYSA-N 0 0 358.401 3.732 50 30 FHEARN O=C(/C=C\c1ccc(F)cc1)c1ccc(OCC(=O)N2CCCC2)cc1 ZINC000096765433 527654582 /nfs/dbraw/zinc/65/45/82/527654582.db2.gz RRZFDDDEKWFBGX-XGICHPGQSA-N 0 0 353.393 3.723 50 30 FHEARN C=CCc1cc(OC)c(O[C@H](C)[C@@H](O)c2ccc(O)c(OC)c2)c(OC)c1 ZINC000013311353 560105562 /nfs/dbraw/zinc/10/55/62/560105562.db2.gz ULZFTGWWPHYLGI-ZUOKHONESA-N 0 0 374.433 3.647 50 30 endogenous,in-man FHEARN C=CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccccc1 ZINC000000623104 567821554 /nfs/dbraw/zinc/82/15/54/567821554.db2.gz WSMUTPHEZWQRES-UHFFFAOYSA-N 0 0 364.474 3.540 50 30 FHEARN CC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000703546 568099710 /nfs/dbraw/zinc/09/97/10/568099710.db2.gz IMSWFBZTJOFICF-FQEVSTJZSA-N 0 0 360.417 3.735 50 30 FHEARN C=CCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc(F)cc1 ZINC000000784849 568224505 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COc1ccc(/C=N/n2cnc3c(sc4nc(C)cc(C)c43)c2=O)cc1 ZINC000001034697 570473284 /nfs/dbraw/zinc/47/32/84/570473284.db2.gz YXSXHKQMZUNYMY-ZVBGSRNCSA-N 0 0 364.430 3.514 50 30 FHEARN N#C/C(=N\Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000001037450 570473602 /nfs/dbraw/zinc/47/36/02/570473602.db2.gz ISOSSLLNACOOEX-XMHGGMMESA-N 0 0 354.218 3.716 50 30 FHEARN O=S(=O)(c1ccccc1)[C@H](N=C(Cl)Cl)C(Cl)(Cl)Cl ZINC000001056892 570477859 /nfs/dbraw/zinc/47/78/59/570477859.db2.gz LTOKMRNFPSRXSO-ZETCQYMHSA-N 0 0 369.484 3.990 50 30 FHEARN CC(C)O[P@@](=O)(c1ccccc1)C1C(=O)C=C(C(C)(C)C)C(=O)C1=O ZINC000001446117 570500270 /nfs/dbraw/zinc/50/02/70/570500270.db2.gz BDNUFCZNBOTXEB-VWLOTQADSA-N 0 0 362.362 3.909 50 30 FHEARN Cc1nc(N)sc1-c1cc(-c2ccc(O)cc2Cl)c(C#N)c(N)n1 ZINC000071763365 570512009 /nfs/dbraw/zinc/51/20/09/570512009.db2.gz OPMZIUTWPUQJKT-UHFFFAOYSA-N 0 0 357.826 3.576 50 30 FHEARN Cc1c2ccccc2oc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000014093259 570514927 /nfs/dbraw/zinc/51/49/27/570514927.db2.gz RUQXLZKRWMBKSP-UHFFFAOYSA-N 0 0 359.429 3.571 50 30 FHEARN CN(C(=O)CN(Cc1ccco1)Cc1ccco1)C1(C#N)CCCCC1 ZINC000014139497 570517534 /nfs/dbraw/zinc/51/75/34/570517534.db2.gz WGSJGISGKJLMFR-UHFFFAOYSA-N 0 0 355.438 3.560 50 30 FHEARN CSc1nc(C2CC2)cc(C(=O)NCCOc2ccc(C)cc2)c1C#N ZINC000014229812 570521645 /nfs/dbraw/zinc/52/16/45/570521645.db2.gz REHNOTGFWNQHAG-UHFFFAOYSA-N 0 0 367.474 3.670 50 30 FHEARN CCCCCCCNC(CC)=C1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000100171807 570537560 /nfs/dbraw/zinc/53/75/60/570537560.db2.gz BOXVWZMBHQSHLD-WAIALKQBSA-N 0 0 351.487 3.568 50 30 FHEARN O=C(C[C@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1 ZINC000002923554 570544346 /nfs/dbraw/zinc/54/43/46/570544346.db2.gz YCAHTGLVMDENOA-VIFPVBQESA-N 0 0 350.205 3.791 50 30 FHEARN COc1ccc(/C=N/N=C2/S[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000004888822 570555171 /nfs/dbraw/zinc/55/51/71/570555171.db2.gz ZMXZUQGYBSJGQZ-APOTWCRESA-N 0 0 371.437 3.688 50 30 FHEARN COc1ccc(/C=N/N=C2/S[C@@H](C)C(=O)N2Cc2ccccc2C)cc1 ZINC000004909968 570557794 /nfs/dbraw/zinc/55/77/94/570557794.db2.gz LNPXOWKEEQTJHE-PJKUKWEASA-N 0 0 367.474 3.858 50 30 FHEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(CC)cc1 ZINC000003901702 570571009 /nfs/dbraw/zinc/57/10/09/570571009.db2.gz YROCQRKDIPKBCT-FQEVSTJZSA-N 0 0 351.446 3.946 50 30 FHEARN COc1ccc([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2C#N)c(OC)c1 ZINC000024134254 570593627 /nfs/dbraw/zinc/59/36/27/570593627.db2.gz ZQOXBCGODJLSDG-SFHVURJKSA-N 0 0 353.378 3.825 50 30 FHEARN N#CC1(NC(=O)CN2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CCC1 ZINC000329502120 570617378 /nfs/dbraw/zinc/61/73/78/570617378.db2.gz WBVLHPZPOUDIIF-ZDUSSCGKSA-N 0 0 368.264 3.849 50 30 FHEARN Cc1ccccc1C(=N)NOC(=O)COc1ccc(Cl)cc1Cl ZINC000005041980 570619165 /nfs/dbraw/zinc/61/91/65/570619165.db2.gz IHRPNISJXDZJIK-UHFFFAOYSA-N 0 0 353.205 3.544 50 30 FHEARN Cc1cc(O[C@H](C)C(=O)NCc2ccccn2)c2c(C)cc(=O)oc2c1 ZINC000005322677 570648916 /nfs/dbraw/zinc/64/89/16/570648916.db2.gz OWYCCKQAXBCYIR-CQSZACIVSA-N 0 0 352.390 3.729 50 30 FHEARN C=CCOc1ccc(C(=O)Nc2nonc2-c2ccc(OC)cc2)cc1 ZINC000005488582 570663818 /nfs/dbraw/zinc/66/38/18/570663818.db2.gz QNMHMYUTZHVKGV-UHFFFAOYSA-N 0 0 351.362 3.562 50 30 FHEARN COc1ccccc1-n1c2ccc([N+](=O)[O-])cc2nc1S[C@H](C)C#N ZINC000004485743 570797605 /nfs/dbraw/zinc/79/76/05/570797605.db2.gz CWMLGYCQNXSSFS-LLVKDONJSA-N 0 0 354.391 3.946 50 30 FHEARN Cc1ccc([C@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)C[C@H](c2ccco2)C3)o1 ZINC000018200455 570814643 /nfs/dbraw/zinc/81/46/43/570814643.db2.gz UWXSBQZRZHAZTC-QLJPJBMISA-N 0 0 351.362 3.568 50 30 FHEARN CCCCCCC[C@@H](O)CCC(=O)OCc1cc(=O)n2cccc(C)c2n1 ZINC000101456524 570820462 /nfs/dbraw/zinc/82/04/62/570820462.db2.gz OZQDYFCDRQNWIK-GOSISDBHSA-N 0 0 374.481 3.548 50 30 FHEARN CCCCCCC[C@H](O)CCC(=O)OCc1cc(=O)n2cccc(C)c2n1 ZINC000101456520 570820490 /nfs/dbraw/zinc/82/04/90/570820490.db2.gz OZQDYFCDRQNWIK-SFHVURJKSA-N 0 0 374.481 3.548 50 30 FHEARN Nc1cc(N)cc(C(=O)Nc2ccc(/C=C\C(=O)c3ccccc3)cc2)c1 ZINC000102864636 570841029 /nfs/dbraw/zinc/84/10/29/570841029.db2.gz NWOMTDROHSOIPE-FLIBITNWSA-N 0 0 357.413 3.999 50 30 FHEARN O=C1N/C(=N\N=C\c2ccco2)S[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000016972758 570864541 /nfs/dbraw/zinc/86/45/41/570864541.db2.gz ICZDBGCTWHNIEE-NACCWKTGSA-N 0 0 368.245 3.751 50 30 FHEARN N#Cc1c(COC(=O)/C=C/c2ccc(Br)o2)cn2ccccc12 ZINC000014858023 570873522 /nfs/dbraw/zinc/87/35/22/570873522.db2.gz KZLBGWVLEIAOBH-FNORWQNLSA-N 0 0 371.190 3.923 50 30 FHEARN COc1ccccc1/C=N/N=C1/S[C@H](C)C(=O)N1Cc1ccccc1C ZINC000004889149 570875428 /nfs/dbraw/zinc/87/54/28/570875428.db2.gz HFQHTMUNHGXRQL-GHJLDSRNSA-N 0 0 367.474 3.858 50 30 FHEARN CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccnc2)C2=C(CCCC2=O)N1 ZINC000019790761 570902909 /nfs/dbraw/zinc/90/29/09/570902909.db2.gz SZVQRCCJPPUGTQ-FQEVSTJZSA-N 0 0 366.461 3.925 50 30 FHEARN O=C(N/C(=N/c1cccc(F)c1)NCc1ccncc1)c1cccc(F)c1 ZINC000045939937 570915288 /nfs/dbraw/zinc/91/52/88/570915288.db2.gz FVYFKSLUUYFVOW-UHFFFAOYSA-N 0 0 366.371 3.567 50 30 FHEARN COc1cccc(C(=O)N=C(NCc2cccnc2)Nc2cccc(C)c2)c1 ZINC000046127689 570927179 /nfs/dbraw/zinc/92/71/79/570927179.db2.gz WVWYDJSVHWAVDM-UHFFFAOYSA-N 0 0 374.444 3.797 50 30 FHEARN Cc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cccc(C)c2)cc1 ZINC000046130514 570928088 /nfs/dbraw/zinc/92/80/88/570928088.db2.gz YVQZJBKKPZIOEP-IBGZPJMESA-N 0 0 351.450 3.680 50 30 FHEARN Cc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cc(F)cc(F)c2)c1 ZINC000046133136 570929474 /nfs/dbraw/zinc/92/94/74/570929474.db2.gz OMYMIFWRMFJMBX-GOSISDBHSA-N 0 0 373.403 3.650 50 30 FHEARN C[C@@H](OC(=O)CSc1ccccc1)C(=O)N(CCC#N)c1ccccc1 ZINC000021687848 570932968 /nfs/dbraw/zinc/93/29/68/570932968.db2.gz RKNJHAZEZNFOJG-MRXNPFEDSA-N 0 0 368.458 3.657 50 30 FHEARN N#Cc1ccccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 ZINC000051364484 570945106 /nfs/dbraw/zinc/94/51/06/570945106.db2.gz SLSIQWVGWZJBLL-QGZVFWFLSA-N 0 0 355.397 3.717 50 30 FHEARN N#Cc1cc(NC(=O)Cc2ccc(F)cc2)ccc1OCC(F)(F)F ZINC000048344660 570948507 /nfs/dbraw/zinc/94/85/07/570948507.db2.gz YSRRHIMCCXHPDF-UHFFFAOYSA-N 0 0 352.287 3.820 50 30 FHEARN Cc1ccc(N2C(=O)C[C@H](C(=O)Nc3nc[nH]n3)[C@H]2c2cccs2)cc1 ZINC000023141093 570956847 /nfs/dbraw/zinc/95/68/47/570956847.db2.gz AFJHKUXJNWUGHS-BBRMVZONSA-N 0 0 367.434 3.557 50 30 FHEARN N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000023731418 570966754 /nfs/dbraw/zinc/96/67/54/570966754.db2.gz WPUDJIKOMNQLNP-SFHVURJKSA-N 0 0 373.378 3.728 50 30 FHEARN CC(C)(C)Nc1nnc(SCC(=O)NC2(C#N)CCCCCC2)s1 ZINC000025062573 570990114 /nfs/dbraw/zinc/99/01/14/570990114.db2.gz UMJPSJVYPDKISU-UHFFFAOYSA-N 0 0 367.544 3.573 50 30 FHEARN O=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1ccc(O)cc1 ZINC000001244201 571044375 /nfs/dbraw/zinc/04/43/75/571044375.db2.gz MSBOGGFWWCVUHU-OEAKJJBVSA-N 0 0 371.396 3.563 50 30 FHEARN C=CCN(Cc1ccc(F)cc1)C(=O)[C@@H](CC)N1Cc2ccccc2C1=O ZINC000055325151 571058501 /nfs/dbraw/zinc/05/85/01/571058501.db2.gz WJZIRTFEXJFHAL-HXUWFJFHSA-N 0 0 366.436 3.775 50 30 FHEARN CCCN(CC#Cc1ccccc1)Cc1ccc(Sc2nncn2C)o1 ZINC000055253171 571058745 /nfs/dbraw/zinc/05/87/45/571058745.db2.gz XIVWTVDQPLLYHE-UHFFFAOYSA-N 0 0 366.490 3.823 50 30 FHEARN C=CCN1c2ccccc2[C@]2(Nc3cc(Cl)ccc3C(=O)N2CC)C1=O ZINC000058167463 571062709 /nfs/dbraw/zinc/06/27/09/571062709.db2.gz BGXHMXXHZSUPSW-HXUWFJFHSA-N 0 0 367.836 3.613 50 30 FHEARN N#C[C@H](c1ccccc1)[C@H]1CCCCN1CC(=O)Nc1cccc(F)c1 ZINC000072308611 571065439 /nfs/dbraw/zinc/06/54/39/571065439.db2.gz FHPABCBPODTRGR-WOJBJXKFSA-N 0 0 351.425 3.926 50 30 FHEARN C=CCn1c(SCC(=O)N2CCC[C@H]2c2cccs2)nnc1C1CC1 ZINC000039975829 571066530 /nfs/dbraw/zinc/06/65/30/571066530.db2.gz PLDXRUYLFGPGCA-AWEZNQCLSA-N 0 0 374.535 3.859 50 30 FHEARN CCOc1cc(/C=N/N2CCOCC2)ccc1OCc1ccc(Cl)cc1 ZINC000001175731 571069747 /nfs/dbraw/zinc/06/97/47/571069747.db2.gz IQVNWIGBRNFLCL-HYARGMPZSA-N 0 0 374.868 3.984 50 30 FHEARN Cc1cccc(NC(=N)Nc2nc(C(F)(F)F)cc(C(F)(F)F)n2)c1 ZINC000015961975 571070093 /nfs/dbraw/zinc/07/00/93/571070093.db2.gz RCKWARDDWANAQH-UHFFFAOYSA-N 0 0 363.265 3.881 50 30 FHEARN C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)SC1=S ZINC000096544908 571072996 /nfs/dbraw/zinc/07/29/96/571072996.db2.gz WTKDJWOFDYOJFK-SQFISAMPSA-N 0 0 364.517 3.843 50 30 FHEARN CC(O)=C1C(=O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccc(F)cc1 ZINC000000846462 571092591 /nfs/dbraw/zinc/09/25/91/571092591.db2.gz AJEGYZVDGWBKKJ-INIZCTEOSA-N 0 0 368.389 3.924 50 30 FHEARN O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(c2ncnc3nc[nH]c32)C1 ZINC000009060419 571094332 /nfs/dbraw/zinc/09/43/32/571094332.db2.gz APEBFJTVYCDUII-JTQLQIEISA-N 0 0 374.807 3.650 50 30 FHEARN C=CCN1C(=O)S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O ZINC000004917280 571102779 /nfs/dbraw/zinc/10/27/79/571102779.db2.gz DMTWASGLWGOKTD-RVDMUPIBSA-N 0 0 355.375 3.608 50 30 FHEARN C=CCOc1ccccc1CN1c2ccc(Cl)cc2[C@H](NC(C)=O)C1=O ZINC000008047989 571110112 /nfs/dbraw/zinc/11/01/12/571110112.db2.gz YUPLAHOFBMTIPE-IBGZPJMESA-N 0 0 370.836 3.629 50 30 FHEARN O=C1N/C(=N\c2ccccn2)S[C@H]1Cc1cccc(C(F)(F)F)c1 ZINC000001453157 571113841 /nfs/dbraw/zinc/11/38/41/571113841.db2.gz HAAREUIAIMREHT-LBPRGKRZSA-N 0 0 351.353 3.562 50 30 FHEARN C=C(C)Cn1cnc2c(sc3nc(Cc4ccccc4)nc(C)c32)c1=O ZINC000012408687 571118040 /nfs/dbraw/zinc/11/80/40/571118040.db2.gz SWRBSWJXPVBEJT-UHFFFAOYSA-N 0 0 362.458 3.877 50 30 FHEARN C=CCn1c(-c2ccncc2)nn(CC(=O)Nc2ccccc2C)c1=S ZINC000016768597 571122700 /nfs/dbraw/zinc/12/27/00/571122700.db2.gz CAOSURKQGJNFOF-UHFFFAOYSA-N 0 0 365.462 3.609 50 30 FHEARN C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccncc1 ZINC000000778531 571122945 /nfs/dbraw/zinc/12/29/45/571122945.db2.gz NJKGEZWWZVSXRY-UHFFFAOYSA-N 0 0 366.446 3.510 50 30 FHEARN C=CCN1c2ccccc2[C@](O)(CC(=O)c2ccc3ccccc3c2)C1=O ZINC000000783752 571123144 /nfs/dbraw/zinc/12/31/44/571123144.db2.gz IJNQZAMDGJJWJR-HSZRJFAPSA-N 0 0 357.409 3.833 50 30 FHEARN C#CCN1C(=O)S/C(=C/c2c(OC)ccc3ccc(OC)cc32)C1=O ZINC000001146438 571123513 /nfs/dbraw/zinc/12/35/13/571123513.db2.gz DJPSZVIMTVHSEW-GZTJUZNOSA-N 0 0 353.399 3.527 50 30 FHEARN Cc1cc2n(n1)[C@H](c1ccc(C#N)cc1)C(C(=O)Nc1ccccc1)=C(C)N2 ZINC000072332714 571123817 /nfs/dbraw/zinc/12/38/17/571123817.db2.gz XMTUFCPGXBNONY-OAQYLSRUSA-N 0 0 369.428 3.991 50 30 FHEARN C#CCOC(=O)c1ccccc1C(=O)OCCCC(F)(F)C(F)(F)F ZINC000002275248 571124614 /nfs/dbraw/zinc/12/46/14/571124614.db2.gz QYLHJOPBSXVKPF-UHFFFAOYSA-N 0 0 364.266 3.611 50 30 FHEARN C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cc(OC)ccc1OC)C2 ZINC000002469465 571124966 /nfs/dbraw/zinc/12/49/66/571124966.db2.gz XGFHXLZQGHYMDJ-ZDUSSCGKSA-N 0 0 369.417 3.596 50 30 FHEARN Cc1nn(-c2nc3ccccc3o2)c2c1[C@H](c1ccc(C#N)cc1)CC(=O)N2 ZINC000015868261 571140095 /nfs/dbraw/zinc/14/00/95/571140095.db2.gz PSOVTGMHNBKPOB-HNNXBMFYSA-N 0 0 369.384 3.668 50 30 FHEARN N#Cc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 ZINC000015882994 571141910 /nfs/dbraw/zinc/14/19/10/571141910.db2.gz WMZQBLPVRVBPLZ-UHFFFAOYSA-N 0 0 363.804 3.674 50 30 FHEARN Cc1cn(CCn2cnc(-c3ccccc3)c2-c2ccc(C#N)cc2)nn1 ZINC000065410133 571143032 /nfs/dbraw/zinc/14/30/32/571143032.db2.gz OAPIWVHFYSEARE-UHFFFAOYSA-N 0 0 354.417 3.689 50 30 in-vitro FHEARN CS(=O)(=O)Nc1ccc(C(=O)/C=C\c2ccc3ncccc3c2)cc1 ZINC000096794921 571147789 /nfs/dbraw/zinc/14/77/89/571147789.db2.gz RWSWQJOCFNSYMV-WZUFQYTHSA-N 0 0 352.415 3.502 50 30 FHEARN O=C(CNc1cccc(C#Cc2cccs2)c1)NCc1cccs1 ZINC000029934194 571151125 /nfs/dbraw/zinc/15/11/25/571151125.db2.gz BFSFGGVQSIWANS-UHFFFAOYSA-N 0 0 352.484 3.938 50 30 FHEARN C=CCNC(=O)COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1 ZINC000033327318 571151324 /nfs/dbraw/zinc/15/13/24/571151324.db2.gz YJCNQCXKQNPSSP-UHFFFAOYSA-N 0 0 369.808 3.738 50 30 FHEARN CC(=O)C1=C2C[C@H](c3ccccc3)N(Cc3ccccc3)C[C@]2(C)OC1=O ZINC000075271036 571158888 /nfs/dbraw/zinc/15/88/88/571158888.db2.gz PABCIRHVJYRDQO-OFNKIYASSA-N 0 0 361.441 3.835 50 30 FHEARN N#Cc1ccccc1CN1CCCN(c2cccc(NC(=O)C3CC3)c2)C1=O ZINC000034735401 571166481 /nfs/dbraw/zinc/16/64/81/571166481.db2.gz PLMCKYBXEDAZKP-UHFFFAOYSA-N 0 0 374.444 3.739 50 30 FHEARN Cc1ccc(C(=O)O/N=C(/c2ccncc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001211474 571167444 /nfs/dbraw/zinc/16/74/44/571167444.db2.gz ATPXUJLCJRGTIH-ZBJSNUHESA-N 0 0 361.357 3.908 50 30 FHEARN N#Cc1cc(C#N)c(SCc2csc(-c3cccs3)n2)nc1N ZINC000060583027 571167501 /nfs/dbraw/zinc/16/75/01/571167501.db2.gz ZJUWKUWLDKUSQX-UHFFFAOYSA-N 0 0 355.473 3.884 50 30 FHEARN COc1c2c(cc3c1[C@H](C(=S)Nc1ccccc1C)N(C)CC3)OCO2 ZINC000006238000 571167668 /nfs/dbraw/zinc/16/76/68/571167668.db2.gz YHVVMWZFOQHJRK-QGZVFWFLSA-N 0 0 370.474 3.921 50 30 biogenic FHEARN Cc1cccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1[N+](=O)[O-] ZINC000012528015 571174609 /nfs/dbraw/zinc/17/46/09/571174609.db2.gz ZEZOJRLLCNETSJ-UHFFFAOYSA-N 0 0 357.369 3.950 50 30 FHEARN Cc1nc(C)c(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)s1 ZINC000090610468 571180066 /nfs/dbraw/zinc/18/00/66/571180066.db2.gz PHUDEGXGBSZVGA-UHFFFAOYSA-N 0 0 368.380 3.591 50 30 FHEARN Cc1ccc(-n2c(SC[C@@H](C#N)CCC#N)nnc2N2CCCC2)cc1 ZINC000012565412 571183876 /nfs/dbraw/zinc/18/38/76/571183876.db2.gz NIJBQGZLZZAXKB-MRXNPFEDSA-N 0 0 366.494 3.712 50 30 FHEARN C#Cc1cccc(NC(=O)CSCc2cc(C(C)=O)ccc2OC)c1 ZINC000013001486 571187918 /nfs/dbraw/zinc/18/79/18/571187918.db2.gz DXELLOXBKPNABE-UHFFFAOYSA-N 0 0 353.443 3.751 50 30 FHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000012621814 571204342 /nfs/dbraw/zinc/20/43/42/571204342.db2.gz WZDKHISQLUOALE-YVEFUNNKSA-N 0 0 356.422 3.818 50 30 FHEARN C=CCn1c(S[C@H](C(N)=O)c2ccccc2)nnc1-c1ccc(C)cc1 ZINC000122480355 571211023 /nfs/dbraw/zinc/21/10/23/571211023.db2.gz GERPQDQCQJASDY-KRWDZBQOSA-N 0 0 364.474 3.758 50 30 FHEARN Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc4c(c3)OCO4)S2)cc1C ZINC000033339412 571236355 /nfs/dbraw/zinc/23/63/55/571236355.db2.gz STAYMMLVGNMTSS-RQZCQDPDSA-N 0 0 352.415 3.924 50 30 FHEARN C=CCNC(=O)CSc1nc2ccccc2n1-c1ccc(OCC)cc1 ZINC000006649123 571238508 /nfs/dbraw/zinc/23/85/08/571238508.db2.gz NEQHSFQTTBLTMR-UHFFFAOYSA-N 0 0 367.474 3.819 50 30 FHEARN C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)NC1CCCCC1 ZINC000006743995 571244436 /nfs/dbraw/zinc/24/44/36/571244436.db2.gz MVKGFECTNFVZML-UHFFFAOYSA-N 0 0 370.453 3.776 50 30 FHEARN Cc1nnc(SCCC(=O)Nc2sc3c(c2C#N)CCCC3)s1 ZINC000138587210 571249167 /nfs/dbraw/zinc/24/91/67/571249167.db2.gz ZHRGBWNEKRMQME-UHFFFAOYSA-N 0 0 364.521 3.779 50 30 FHEARN Cc1ccc(-n2ccnc2SCC(=O)N[C@](C)(C#N)C(C)C)cc1C ZINC000006979286 571256280 /nfs/dbraw/zinc/25/62/80/571256280.db2.gz NKUPANQEWQLPPJ-LJQANCHMSA-N 0 0 356.495 3.636 50 30 FHEARN N#Cc1ccc(C(=O)NCc2ccc(-c3nc(C4CC4)no3)s2)c(F)c1 ZINC000065196082 571256433 /nfs/dbraw/zinc/25/64/33/571256433.db2.gz QUUGQIGUXJCGLA-UHFFFAOYSA-N 0 0 368.393 3.616 50 30 FHEARN N#Cc1cccc(C(=O)NC2(c3nc(-c4ccncc4)no3)CCCCC2)c1 ZINC000065257816 571258065 /nfs/dbraw/zinc/25/80/65/571258065.db2.gz YCWDPVLEGDNNIS-UHFFFAOYSA-N 0 0 373.416 3.593 50 30 FHEARN C[C@@H](C#N)CSc1ccccc1NC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000065453389 571263506 /nfs/dbraw/zinc/26/35/06/571263506.db2.gz OGYAWIJCDDLUPX-ZDUSSCGKSA-N 0 0 374.487 3.594 50 30 FHEARN COc1ccc(CNc2nnc(Sc3ccc(C#N)cn3)s2)cc1 ZINC000037143057 571265518 /nfs/dbraw/zinc/26/55/18/571265518.db2.gz HZXAMPYJMOULPF-UHFFFAOYSA-N 0 0 355.448 3.577 50 30 FHEARN N#Cc1nn(CC(=O)N(Cc2ccco2)c2ccccc2)c2ccccc12 ZINC000170594232 571266427 /nfs/dbraw/zinc/26/64/27/571266427.db2.gz KVJFXSSWVMMIRU-UHFFFAOYSA-N 0 0 356.385 3.734 50 30 FHEARN Cc1cc(C)c(C#N)c(SCCC(=O)OCC(=O)c2ccc(F)cc2)n1 ZINC000013579583 571271244 /nfs/dbraw/zinc/27/12/44/571271244.db2.gz XXSSDEUTXFYOHV-UHFFFAOYSA-N 0 0 372.421 3.618 50 30 FHEARN CCOc1cc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)ccc1O ZINC000007587015 571277797 /nfs/dbraw/zinc/27/77/97/571277797.db2.gz PXGYNUIDGORSHZ-YCRREMRBSA-N 0 0 353.418 3.524 50 30 FHEARN CCC1N=NC(=S)N1N=Cc1ccc(OCc2ccc(C)cc2)cc1 ZINC000252452520 571278810 /nfs/dbraw/zinc/27/88/10/571278810.db2.gz NCXSAOYNXZWZGD-UHFFFAOYSA-N 0 0 352.463 3.899 50 30 FHEARN COc1ccc(OC)c(C=NOCc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000252452884 571278814 /nfs/dbraw/zinc/27/88/14/571278814.db2.gz KUSJSBSDSLZQTJ-UHFFFAOYSA-N 0 0 363.797 3.679 50 30 FHEARN COCCN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N\c1ccccc1 ZINC000002141725 571280545 /nfs/dbraw/zinc/28/05/45/571280545.db2.gz DZYJEANGVRFZCG-CJGMICOPSA-N 0 0 354.431 3.643 50 30 FHEARN CN1C(=O)C[C@H](C(=O)Nc2cccc(Cl)c2)SC1=Nc1ccccc1 ZINC000252605161 571284836 /nfs/dbraw/zinc/28/48/36/571284836.db2.gz GGSYHZSDFMRETD-OAHLLOKOSA-N 0 0 373.865 3.930 50 30 FHEARN CCOc1cc(C=Nc2cccc(C(F)(F)F)c2)ccc1OCC(N)=O ZINC000252626274 571289091 /nfs/dbraw/zinc/28/90/91/571289091.db2.gz QZQJIXKIENZQGL-UHFFFAOYSA-N 0 0 366.339 3.719 50 30 FHEARN CC(=NOCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000252632649 571290077 /nfs/dbraw/zinc/29/00/77/571290077.db2.gz VVWRJYIWMFAKHR-UHFFFAOYSA-N 0 0 353.447 3.878 50 30 FHEARN C=CCc1cccc(/C=N/n2cnc3c4cc(C)ccc4[nH]c3c2=O)c1O ZINC000002268794 571294101 /nfs/dbraw/zinc/29/41/01/571294101.db2.gz DVWWGENHESMPMP-FOKLQQMPSA-N 0 0 358.401 3.503 50 30 FHEARN COc1ccc(CN2C(=O)[C@@H](C)S/C2=N\N=C\c2ccc(C)cc2)cc1 ZINC000002272870 571294663 /nfs/dbraw/zinc/29/46/63/571294663.db2.gz UONTWVWACGFWRX-MYAASBOSSA-N 0 0 367.474 3.858 50 30 FHEARN COC(=O)[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]3CC[C@H](OC(C)=O)[C@]3(C)CC[C@@H]12 ZINC000257347587 571311515 /nfs/dbraw/zinc/31/15/15/571311515.db2.gz LTWLPBOTJIWDPF-MODRPBMJSA-N 0 0 374.477 3.603 50 30 FHEARN N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1nccs1 ZINC000002316359 571317624 /nfs/dbraw/zinc/31/76/24/571317624.db2.gz XMSOIEBVVIVNMZ-UHFFFAOYSA-N 0 0 358.473 3.869 50 30 FHEARN CC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccccc2)C1=O ZINC000002332049 571318219 /nfs/dbraw/zinc/31/82/19/571318219.db2.gz WWBJYSXXPCKNMT-UAQCVPFCSA-N 0 0 367.474 3.939 50 30 FHEARN Cc1noc([C@H]2CCCCN2C(=O)c2cccc(-c3cccnc3C#N)c2)n1 ZINC000299761333 571318808 /nfs/dbraw/zinc/31/88/08/571318808.db2.gz JHJKXMKJIWWYSO-LJQANCHMSA-N 0 0 373.416 3.679 50 30 FHEARN Cn1nc(NC(=O)c2ccccc2C#N)c2c1cccc2Oc1cccnc1 ZINC000072473703 571319166 /nfs/dbraw/zinc/31/91/66/571319166.db2.gz JPVOSINRPFCJMH-UHFFFAOYSA-N 0 0 369.384 3.885 50 30 FHEARN COc1ccc2ncc(S(=O)(=O)c3cccc(C#N)c3)c(Cl)c2c1 ZINC000072329764 571319191 /nfs/dbraw/zinc/31/91/91/571319191.db2.gz OXPHJEYDZBESPP-UHFFFAOYSA-N 0 0 358.806 3.601 50 30 FHEARN C=CCn1c(CCC)nc2c3cc4c(nc3sc2c1=O)CC(C)(C)OC4 ZINC000002361777 571319594 /nfs/dbraw/zinc/31/95/94/571319594.db2.gz SZHUDWVOTGEOFG-UHFFFAOYSA-N 0 0 369.490 3.996 50 30 FHEARN N#Cc1ccccc1-c1ccc([C@@H]2CC(=O)NCc3nc4sccn4c32)o1 ZINC000065405794 571321136 /nfs/dbraw/zinc/32/11/36/571321136.db2.gz FJYXPPKEFFILAO-AWEZNQCLSA-N 0 0 374.425 3.679 50 30 FHEARN CCC[C@]1(CO)CCCN(C(=O)c2ccc(-c3cccc(C#N)n3)cc2)C1 ZINC000426640605 571322217 /nfs/dbraw/zinc/32/22/17/571322217.db2.gz ZFEYLRRMIHTRGH-QFIPXVFZSA-N 0 0 363.461 3.635 50 30 FHEARN COC(=O)c1ccc(/C=C2\Oc3cc(OC(=O)C(C)C)ccc3C2=O)cc1 ZINC000012868570 571322818 /nfs/dbraw/zinc/32/28/18/571322818.db2.gz PZLQYEKBMYNJDH-ZDLGFXPLSA-N 0 0 366.369 3.651 50 30 FHEARN CCOc1cc2c(cc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000012994019 571322902 /nfs/dbraw/zinc/32/29/02/571322902.db2.gz VNIQQDNXWWXDLD-UONOGXRCSA-N 0 0 366.417 3.686 50 30 FHEARN O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000328591759 571323553 /nfs/dbraw/zinc/32/35/53/571323553.db2.gz FZMCGEICFLFJND-AEGPPILISA-N 0 0 357.281 3.510 50 30 FHEARN CC(C)COc1cccc(C(=O)NCCCc2nc3cccnc3[nH]2)c1 ZINC000328591564 571323571 /nfs/dbraw/zinc/32/35/71/571323571.db2.gz MBLVRJSVRLXESR-UHFFFAOYSA-N 0 0 352.438 3.930 50 30 FHEARN Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1CCCCCCC1 ZINC000079179654 571327142 /nfs/dbraw/zinc/32/71/42/571327142.db2.gz PXURASQMEQXREB-UHFFFAOYSA-N 0 0 367.497 3.627 50 30 FHEARN CSc1nc(NC[C@H](C)O)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820381 571327404 /nfs/dbraw/zinc/32/74/04/571327404.db2.gz PDHXXSOFSCEAGC-LBPRGKRZSA-N 0 0 356.495 3.827 50 30 FHEARN COc1cccc([C@H]2CC(=O)Nc3sc4c(nc(N)c(C#N)c4C)c32)c1 ZINC000020029524 571327855 /nfs/dbraw/zinc/32/78/55/571327855.db2.gz XQWXNFLYYDSKJD-GFCCVEGCSA-N 0 0 364.430 3.541 50 30 FHEARN CC1CCN(c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)cn2)CC1 ZINC000095468933 571330597 /nfs/dbraw/zinc/33/05/97/571330597.db2.gz CHKQPZSDYFDWST-QGZVFWFLSA-N 0 0 373.460 3.695 50 30 FHEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)O2 ZINC000020518433 571330630 /nfs/dbraw/zinc/33/06/30/571330630.db2.gz NPUWBTHXVVKEBX-WQRHYEAKSA-N 0 0 368.389 3.758 50 30 FHEARN COc1ccc(-n2c(Nc3ccc(C#N)cc3)c3[nH]cccc-3c2=O)cc1 ZINC000021106576 571332673 /nfs/dbraw/zinc/33/26/73/571332673.db2.gz SWQNPZCIWBCPBW-FQEVSTJZSA-N 0 0 356.385 3.733 50 30 FHEARN C#CCN(Cc1ccc(C)cc1)C(=O)/C=C\c1ccc(C(=O)NC2CC2)cc1 ZINC000096180044 571334753 /nfs/dbraw/zinc/33/47/53/571334753.db2.gz RMHMRYFGQRDZAP-GDNBJRDFSA-N 0 0 372.468 3.562 50 30 FHEARN COC(=O)c1ccc(C)c(Nc2ncnc(NC3CCCC3)c2C#N)c1 ZINC000096193733 571334818 /nfs/dbraw/zinc/33/48/18/571334818.db2.gz MDGHTTXZMNRAKR-UHFFFAOYSA-N 0 0 351.410 3.541 50 30 FHEARN CCCOc1c(Cl)cc(C=NNC(=S)NC(C)C)cc1OCC ZINC000254554730 571336363 /nfs/dbraw/zinc/33/63/63/571336363.db2.gz ZAFLHFIGKUTTEM-UHFFFAOYSA-N 0 0 357.907 3.734 50 30 FHEARN C[C@]1(c2ccco2)NC(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O ZINC000022417190 571336843 /nfs/dbraw/zinc/33/68/43/571336843.db2.gz IJBJGMNCPYTYCW-JOCHJYFZSA-N 0 0 371.396 3.785 50 30 FHEARN C=CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@H]1c1ccc(F)cc1 ZINC000002487254 571337289 /nfs/dbraw/zinc/33/72/89/571337289.db2.gz PQHGYSBJKMVMGD-HOCLYGCPSA-N 0 0 374.437 3.594 50 30 FHEARN N#Cc1cnc2c(F)c(F)c(F)cc2c1NC[C@@H](O)Cc1ccccc1 ZINC000225819644 571338497 /nfs/dbraw/zinc/33/84/97/571338497.db2.gz HPKCONFDAXZNGK-ZDUSSCGKSA-N 0 0 357.335 3.539 50 30 FHEARN CC(C)(C)OC(=O)n1cc(I)c2cc(C#N)ccc21 ZINC000002563783 571338839 /nfs/dbraw/zinc/33/88/39/571338839.db2.gz GADLXNFRAAUWAD-UHFFFAOYSA-N 0 0 368.174 3.901 50 30 FHEARN Cc1ccc(-c2noc(CSCC(=O)Nc3ccc(C#N)cc3)n2)cc1 ZINC000028908225 571341339 /nfs/dbraw/zinc/34/13/39/571341339.db2.gz JNZOVORNAYYZDM-UHFFFAOYSA-N 0 0 364.430 3.789 50 30 FHEARN N#Cc1nc(-c2ccc(Cl)cc2)oc1S(=O)(=O)Cc1ccccc1 ZINC000227155623 571342736 /nfs/dbraw/zinc/34/27/36/571342736.db2.gz HRSIAPAQDPHOGM-UHFFFAOYSA-N 0 0 358.806 3.841 50 30 FHEARN CCOc1cc(C#N)ccc1OC(=O)CCc1c(C)nc(SC)nc1C ZINC000057819160 571345473 /nfs/dbraw/zinc/34/54/73/571345473.db2.gz GRCJMBIFFKIZMC-UHFFFAOYSA-N 0 0 371.462 3.624 50 30 FHEARN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccc(C#N)cc1 ZINC000003262404 571346312 /nfs/dbraw/zinc/34/63/12/571346312.db2.gz BOAWJUDXWICERB-IBGZPJMESA-N 0 0 366.417 3.552 50 30 FHEARN CC(C)(C)NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N ZINC000003311383 571347153 /nfs/dbraw/zinc/34/71/53/571347153.db2.gz LYQCOKLWBHJCST-UHFFFAOYSA-N 0 0 368.458 3.781 50 30 FHEARN N#Cc1ccccc1OCC(=O)Nc1cc(Cl)ccc1N1CCCC1 ZINC000003334186 571347685 /nfs/dbraw/zinc/34/76/85/571347685.db2.gz WBJZYTYAQMYBLF-UHFFFAOYSA-N 0 0 355.825 3.829 50 30 FHEARN CCN(C(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1Cl ZINC000058081608 571347773 /nfs/dbraw/zinc/34/77/73/571347773.db2.gz MNLUFLRSTZDVAS-UHFFFAOYSA-N 0 0 368.868 3.876 50 30 FHEARN COc1cc(OC)c(N[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1Cl ZINC000003457577 571350030 /nfs/dbraw/zinc/35/00/30/571350030.db2.gz VBQCGVDQLXNBOM-NSHDSACASA-N 0 0 359.813 3.668 50 30 FHEARN COc1cc(OC)c(N[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1Cl ZINC000003457580 571350032 /nfs/dbraw/zinc/35/00/32/571350032.db2.gz VBQCGVDQLXNBOM-LLVKDONJSA-N 0 0 359.813 3.668 50 30 FHEARN COc1cc(/C=C/C(=O)c2cc3ccccc3oc2=O)cc(OC)c1OC ZINC000003911099 571353236 /nfs/dbraw/zinc/35/32/36/571353236.db2.gz WXLMNQGCYDYAER-CMDGGOBGSA-N 0 0 366.369 3.715 50 30 FHEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(SC)c2)C1 ZINC000004033618 571354401 /nfs/dbraw/zinc/35/44/01/571354401.db2.gz XBBRXIVLYUIKGF-HNNXBMFYSA-N 0 0 361.470 3.912 50 30 FHEARN C#CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(SC)c2)C1 ZINC000004033617 571354414 /nfs/dbraw/zinc/35/44/14/571354414.db2.gz XBBRXIVLYUIKGF-OAHLLOKOSA-N 0 0 361.470 3.912 50 30 FHEARN N#Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)cc1 ZINC000031984567 571354777 /nfs/dbraw/zinc/35/47/77/571354777.db2.gz NBEUOAZRYGCUJY-UHFFFAOYSA-N 0 0 354.431 3.527 50 30 FHEARN C=CCN1c2c(cccc2C)[C@]2(CC(=O)Nc3c2cnn3C(C)(C)C)C1=O ZINC000032094610 571355617 /nfs/dbraw/zinc/35/56/17/571355617.db2.gz MPDZJWHFTCHYCE-NRFANRHFSA-N 0 0 364.449 3.757 50 30 FHEARN COc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)nc2c1 ZINC000004252406 571357269 /nfs/dbraw/zinc/35/72/69/571357269.db2.gz AFQNSTQATXAFJY-NSHDSACASA-N 0 0 352.419 3.562 50 30 FHEARN C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000007980371 571357984 /nfs/dbraw/zinc/35/79/84/571357984.db2.gz LNBINSLBGWWKIE-UHFFFAOYSA-N 0 0 369.895 3.633 50 30 FHEARN COc1ccc([C@H]2CC(=O)C=C(NCc3ccc4c(c3)OCO4)C2)cc1 ZINC000100951961 934822613 /nfs/dbraw/zinc/82/26/13/934822613.db2.gz GRHQAIOTJQZNOJ-MRXNPFEDSA-N 0 0 351.402 3.544 50 30 FHEARN C[C@H](OC(=O)/C=C\c1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000097657692 938800956 /nfs/dbraw/zinc/80/09/56/938800956.db2.gz DRTPYRAANKIQPY-SZNGSJQDSA-N 0 0 354.793 3.795 50 30 FHEARN O=S(=O)(NC1CCCCC1)c1ccc(N=Cc2ccccc2O)cc1 ZINC000252462446 938831233 /nfs/dbraw/zinc/83/12/33/938831233.db2.gz SHQXASDILBDGFB-UHFFFAOYSA-N 0 0 358.463 3.754 50 30 FHEARN CC(C)(C#N)CC(=O)N1CCOc2cc(Br)c(Cl)cc21 ZINC000332741075 945282151 /nfs/dbraw/zinc/28/21/51/945282151.db2.gz ZFEOYPLOGPWYQO-UHFFFAOYSA-N 0 0 357.635 3.768 50 30 FHEARN COc1ccc(C=C2Nc3ccn(Cc4ccccc4)c(=O)c3C2=O)cc1 ZINC000023549733 940643427 /nfs/dbraw/zinc/64/34/27/940643427.db2.gz JECUZXGLLMFYHK-UYRXBGFRSA-N 0 0 358.397 3.555 50 30 FHEARN O=C(CCn1ccnn1)NC1(c2noc(C3CCCC3)n2)CCCCCC1 ZINC000328746848 942036210 /nfs/dbraw/zinc/03/62/10/942036210.db2.gz OWPXOYCOKOEGIL-UHFFFAOYSA-N 0 0 372.473 3.915 50 30 FHEARN CC1(C)C(=O)Nc2cc(C(=O)N[C@@H]3CCC(=O)N[C@@H]3[C@@H]3CCCO3)ccc21 ZINC000329121848 942253198 /nfs/dbraw/zinc/25/31/98/942253198.db2.gz QTAOCMHIRCBPAU-KMFMINBZSA-N 0 0 371.437 3.537 50 30 FHEARN Cc1cc(C)cc(C[C@H](C)NC(=O)NC2CCN(c3nccs3)CC2)c1 ZINC000329324142 942842354 /nfs/dbraw/zinc/84/23/54/942842354.db2.gz HXJXZJVGUXDEJD-INIZCTEOSA-N 0 0 372.538 3.864 50 30 FHEARN CCc1nc(NC(=O)CN2CCC(F)(c3ccccn3)CC2)sc1C ZINC000329370010 943064289 /nfs/dbraw/zinc/06/42/89/943064289.db2.gz AQDIXLNLNWTYKG-UHFFFAOYSA-N 0 0 362.474 3.958 50 30 FHEARN CC1(C)CN(C(=O)NCCc2csc3ccccc23)C[C@]2(CCOC2)O1 ZINC000329983949 944313073 /nfs/dbraw/zinc/31/30/73/944313073.db2.gz BRFGCRFIVUWNFK-FQEVSTJZSA-N 0 0 374.506 3.628 50 30 FHEARN N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCC([C@H]2CCCCO2)CC1 ZINC000596630844 946586941 /nfs/dbraw/zinc/58/69/41/946586941.db2.gz AORBGXSOHDGVMU-NHCUHLMSSA-N 0 0 367.493 3.926 50 30 FHEARN CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000000705902 219314925 /nfs/dbraw/zinc/31/49/25/219314925.db2.gz AMTVVNONABPDKN-HNNXBMFYSA-N 0 0 361.825 3.583 50 30 FHEARN N#Cc1c(NC(=O)/C=C\c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000033288790 209855904 /nfs/dbraw/zinc/85/59/04/209855904.db2.gz CTBPQRVTAVZHTC-VURMDHGXSA-N 0 0 352.415 3.879 50 30 FHEARN O=C1c2ccccc2C(=O)N1/N=C/c1cccc(OCc2ccccc2)c1 ZINC000001013737 219352774 /nfs/dbraw/zinc/35/27/74/219352774.db2.gz LTWJOMLXCDXDIG-OEAKJJBVSA-N 0 0 356.381 3.896 50 30 FHEARN COc1cc(Br)cc(/C=C2\N=C(SC)SC2=O)c1OC ZINC000001117878 219373391 /nfs/dbraw/zinc/37/33/91/219373391.db2.gz RHPBUMSZYNNQON-UITAMQMPSA-N 0 0 374.281 3.800 50 30 FHEARN Cn1c(SCc2ccccc2C#N)nnc1-c1ccc([N+](=O)[O-])cc1 ZINC000001137420 219377842 /nfs/dbraw/zinc/37/78/42/219377842.db2.gz UXWVNQGDHVRBDO-UHFFFAOYSA-N 0 0 351.391 3.554 50 30 FHEARN C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@@H](C)O1 ZINC000001140722 219378760 /nfs/dbraw/zinc/37/87/60/219378760.db2.gz JOHLRDQAOQGMSI-HUUCEWRRSA-N 0 0 352.459 3.959 50 30 FHEARN C#CCOc1ccc(/C=C2\NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000002852278 209708443 /nfs/dbraw/zinc/70/84/43/209708443.db2.gz LUBRUWPSENSJEH-ATVHPVEESA-N 0 0 368.845 3.614 50 30 FHEARN CN(C(=O)Cc1cc(Cl)c2c(c1)OCCCO2)c1cccc(C#N)c1 ZINC000058004234 209694350 /nfs/dbraw/zinc/69/43/50/209694350.db2.gz GSBGLDCWKHWSQC-UHFFFAOYSA-N 0 0 356.809 3.578 50 30 FHEARN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1cccc(C#N)c1 ZINC000193272305 209613487 /nfs/dbraw/zinc/61/34/87/209613487.db2.gz BHNSKZPEESHNGA-UHFFFAOYSA-N 0 0 369.490 3.653 50 30 FHEARN N#Cc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccccc2)cc1 ZINC000016086328 209599047 /nfs/dbraw/zinc/59/90/47/209599047.db2.gz NVPBZLFFNGNPTE-UHFFFAOYSA-N 0 0 352.415 3.542 50 30 FHEARN Cc1csc(NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)n1 ZINC000015776020 209597414 /nfs/dbraw/zinc/59/74/14/209597414.db2.gz KSZAABFHGJDMLT-UHFFFAOYSA-N 0 0 357.460 3.699 50 30 FHEARN COc1cc(OC)cc(-c2nnc(SCc3ccc(C#N)cc3)o2)c1 ZINC000005435488 219678780 /nfs/dbraw/zinc/67/87/80/219678780.db2.gz ULVVKLISJFIALK-UHFFFAOYSA-N 0 0 353.403 3.918 50 30 FHEARN COc1cccc(C#N)c1OCc1ccccc1I ZINC000004827700 209425001 /nfs/dbraw/zinc/42/50/01/209425001.db2.gz YRUAGFXNWXGKMU-UHFFFAOYSA-N 0 0 365.170 3.750 50 30 FHEARN CC1(C)CC(=O)C2C(=Nc3nc(-c4ccccc4)nn3[C@@H]2c2cccnc2)C1 ZINC000004075121 209410361 /nfs/dbraw/zinc/41/03/61/209410361.db2.gz DIGBTGWZFZNKPY-LJQANCHMSA-N 0 0 371.444 3.998 50 30 FHEARN Cc1nc(NC(=O)c2cnc([C@@H]3CCCO3)s2)sc1SCC#N ZINC000119530108 209350071 /nfs/dbraw/zinc/35/00/71/209350071.db2.gz AZMKMZZCMNIXKM-VIFPVBQESA-N 0 0 366.493 3.628 50 30 FHEARN COc1ccc2c(c1)CC/C(=C\c1cc(OC)c(OC)cc1[N+](=O)[O-])C2=O ZINC000048276166 209330235 /nfs/dbraw/zinc/33/02/35/209330235.db2.gz MCIGGSCIUOEXJN-MDWZMJQESA-N 0 0 369.373 3.833 50 30 FHEARN C=CCNC(=O)[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccccc2F)C1 ZINC000037546338 209308959 /nfs/dbraw/zinc/30/89/59/209308959.db2.gz BIJUETOVKOFPSE-PXNSSMCTSA-N 0 0 366.436 3.721 50 30 FHEARN C=CCNC(=O)Cc1ccc(N(Cc2ccc(F)cc2)C(=O)C2CC2)cc1 ZINC000037556502 209303366 /nfs/dbraw/zinc/30/33/66/209303366.db2.gz QXDKYPYOSVXCOI-UHFFFAOYSA-N 0 0 366.436 3.614 50 30 FHEARN COc1cccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc32)c1OC ZINC000103504617 209253415 /nfs/dbraw/zinc/25/34/15/209253415.db2.gz FSJCCECDLLSSIZ-KRWDZBQOSA-N 0 0 374.396 3.818 50 30 FHEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000102578163 209238153 /nfs/dbraw/zinc/23/81/53/209238153.db2.gz SOTVCXIYJWBPPE-WOOAAIBNSA-N 0 0 365.429 3.917 50 30 FHEARN COc1ccc([C@@H]2CC(=O)C=C(NC3Cc4ccccc4C3)C2)cc1OC ZINC000101172518 209221596 /nfs/dbraw/zinc/22/15/96/209221596.db2.gz IPJANCPYCNQVBG-SFHVURJKSA-N 0 0 363.457 3.791 50 30 FHEARN CCCC(=O)C1=C(NCCc2ccc(OCC)c(OCC)c2)CCCC1=O ZINC000100157046 209210054 /nfs/dbraw/zinc/21/00/54/209210054.db2.gz FKXISAUZTAKKSR-UHFFFAOYSA-N 0 0 373.493 3.992 50 30 FHEARN Cc1ccc(S(=O)(=O)O[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)cc1 ZINC000100015889 209207181 /nfs/dbraw/zinc/20/71/81/209207181.db2.gz SVBOYWVVBMKJDS-GASCZTMLSA-N 0 0 369.483 3.536 50 30 FHEARN N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H]1Cc1cccc(F)c1 ZINC000097491927 209182667 /nfs/dbraw/zinc/18/26/67/209182667.db2.gz WQLHMHGAEYKJJY-GOSISDBHSA-N 0 0 371.843 3.996 50 30 FHEARN CCOC(=O)C1=C(Nc2ccccc2)OC(=Cc2c(F)cccc2F)C1=O ZINC000096919994 209162160 /nfs/dbraw/zinc/16/21/60/209162160.db2.gz AHWMJSLDWARMEC-LFIBNONCSA-N 0 0 371.339 3.792 50 30 FHEARN C#CCOc1ccc(/C=C\C(=O)c2ccc3c(c2)OCCO3)cc1OCC ZINC000096767090 209157837 /nfs/dbraw/zinc/15/78/37/209157837.db2.gz RDEUZKNHLFLXSY-YVMONPNESA-N 0 0 364.397 3.765 50 30 FHEARN C#CCOc1ccc(/C=C2/COc3ccc(OC)cc3C2=O)cc1OCC ZINC000096812641 209157717 /nfs/dbraw/zinc/15/77/17/209157717.db2.gz ZKRXFPVUXAOGAW-WJDWOHSUSA-N 0 0 364.397 3.765 50 30 FHEARN OCC#Cc1ccc(-c2c(-c3ccccc3)ncn2C[C@@H]2CCCO2)cc1 ZINC000065430654 206702562 /nfs/dbraw/zinc/70/25/62/206702562.db2.gz FHKHGCLPGKDBPJ-NRFANRHFSA-N 0 0 358.441 3.740 50 30 FHEARN C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)CC ZINC000004735070 206708063 /nfs/dbraw/zinc/70/80/63/206708063.db2.gz TYSIQHMCUHFTCC-UHFFFAOYSA-N 0 0 368.477 3.584 50 30 FHEARN C=C(C)CNC(=S)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 ZINC000000985949 206741695 /nfs/dbraw/zinc/74/16/95/206741695.db2.gz QYCHHEOESPHTAO-NSHDSACASA-N 0 0 352.525 3.912 50 30 FHEARN COc1ccc([C@@H]2C[C@H]([C@@H]3C(=O)CCC[C@@H]3O)C3=C(CCCC3=O)O2)cc1 ZINC000169615796 206760718 /nfs/dbraw/zinc/76/07/18/206760718.db2.gz QRSLYQPONMQITO-ALGWMNEGSA-N 0 0 370.445 3.510 50 30 FHEARN COC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O ZINC000002102150 206799041 /nfs/dbraw/zinc/79/90/41/206799041.db2.gz KESJHWHNUVEUSZ-GRSHGNNSSA-N 0 0 352.386 3.978 50 30 biogenic FHEARN CCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)c(OC)c1)C2=O ZINC000005825965 206801167 /nfs/dbraw/zinc/80/11/67/206801167.db2.gz HWTDEMYBMLQLRS-ZDLGFXPLSA-N 0 0 354.358 3.635 50 30 biogenic FHEARN N#Cc1ccc(NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)cc1 ZINC000000655878 206821363 /nfs/dbraw/zinc/82/13/63/206821363.db2.gz BTTUKDIGJMGJBW-UHFFFAOYSA-N 0 0 363.274 3.728 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(N(C)C)cc1Cl ZINC000001030506 206856111 /nfs/dbraw/zinc/85/61/11/206856111.db2.gz ZLMTWRJOANFGAK-SFHVURJKSA-N 0 0 374.868 3.547 50 30 FHEARN CCOc1ccc(CC(=O)C2=C(N3CCCC3)CCCC2=O)cc1OCC ZINC000001425882 206881818 /nfs/dbraw/zinc/88/18/18/206881818.db2.gz BFUGHTCDORQPRS-UHFFFAOYSA-N 0 0 371.477 3.699 50 30 FHEARN CCCc1nc2ccccc2c(=O)n1/N=C/c1cccc(Br)c1 ZINC000001814319 206896635 /nfs/dbraw/zinc/89/66/35/206896635.db2.gz PXNLAGOFCVSYEP-UDWIEESQSA-N 0 0 370.250 3.994 50 30 FHEARN C[S@](=O)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C#N ZINC000003104726 206956849 /nfs/dbraw/zinc/95/68/49/206956849.db2.gz YYISMIRYLIQPGG-XMMPIXPASA-N 0 0 352.337 3.567 50 30 FHEARN CCN(C(=O)COc1ccccc1C#N)c1nc2c(cccc2C)s1 ZINC000003407582 206975269 /nfs/dbraw/zinc/97/52/69/206975269.db2.gz ZXCCQYQMJSQHLF-UHFFFAOYSA-N 0 0 351.431 3.908 50 30 FHEARN Cc1ccccc1Nc1nc2no[nH]c-2nc1=NN=Cc1ccc(F)cc1 ZINC000004181286 207006723 /nfs/dbraw/zinc/00/67/23/207006723.db2.gz SOGQQXQTDSPJHK-KEBDBYFISA-N 0 0 363.356 3.650 50 30 FHEARN CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C)S/C1=N\c1ccccc1 ZINC000004474746 207021214 /nfs/dbraw/zinc/02/12/14/207021214.db2.gz GSIFJTOVMZJUKV-UNEBPCJRSA-N 0 0 367.474 3.975 50 30 FHEARN CCOC(=O)c1cnc(C(F)(F)F)nc1N=NCc1ccc(Cl)cc1 ZINC000004394642 207019127 /nfs/dbraw/zinc/01/91/27/207019127.db2.gz VXBXKDWSNCDCOZ-QPSGOUHRSA-N 0 0 372.734 3.772 50 30 FHEARN Cc1cc(C)n(C(=O)CSc2nc(C)cc(-c3ccncc3)c2C#N)n1 ZINC000004457564 207019369 /nfs/dbraw/zinc/01/93/69/207019369.db2.gz DKFALSOLCIKVQC-UHFFFAOYSA-N 0 0 363.446 3.570 50 30 FHEARN CCSc1nc2n(n1)[C@@H](c1ccc(CC)cc1)C1C(=O)CCCC1=N2 ZINC000004436155 207019894 /nfs/dbraw/zinc/01/98/94/207019894.db2.gz IXOZWQFQYRPIAZ-KRWDZBQOSA-N 0 0 354.479 3.975 50 30 FHEARN CCSc1nc2n(n1)[C@@H](c1cccc(O)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436343 207020240 /nfs/dbraw/zinc/02/02/40/207020240.db2.gz RTRWJJHLGLOGCV-INIZCTEOSA-N 0 0 370.478 3.754 50 30 FHEARN CSc1nc2n(n1)[C@@H](c1ccc(SC)cc1)C1C(=O)CCCC1=N2 ZINC000004436062 207020452 /nfs/dbraw/zinc/02/04/52/207020452.db2.gz WRTQBTBRPXLROP-HNNXBMFYSA-N 0 0 358.492 3.744 50 30 FHEARN Clc1ccccc1C=NN=c1cc(N2CCCC2)[nH]c(N2CCCC2)n1 ZINC000004551679 207028669 /nfs/dbraw/zinc/02/86/69/207028669.db2.gz LDYKSBXJIKJHJK-KGENOOAVSA-N 0 0 370.888 3.776 50 30 FHEARN CC(N=Nc1nccnc1Cl)c1ccc(I)cc1 ZINC000004595734 207031469 /nfs/dbraw/zinc/03/14/69/207031469.db2.gz VEVREJRWGORGHV-CAOOACKPSA-N 0 0 372.597 3.571 50 30 FHEARN CNc1ccc(Br)cc(C(=O)/C=C/c2cccc(OC)c2)c1=O ZINC000004667401 207035932 /nfs/dbraw/zinc/03/59/32/207035932.db2.gz KFDKMBIZEXPTMG-RMKNXTFCSA-N 0 0 374.234 3.756 50 30 FHEARN COc1cc(CN=Nc2cccc(Cl)n2)cc(Br)c1O ZINC000004670517 207036510 /nfs/dbraw/zinc/03/65/10/207036510.db2.gz JGOZFXRXKMTMPG-FRKPEAEDSA-N 0 0 356.607 3.658 50 30 FHEARN CC1(C)Cc2c(C#N)c(=N)n(-c3ccc(Br)cc3)cc2C(=O)C1 ZINC000004676096 207036858 /nfs/dbraw/zinc/03/68/58/207036858.db2.gz ZHEVIXARLUPZHI-UHFFFAOYSA-N 0 0 370.250 3.746 50 30 FHEARN COc1ccc(CCN2C(=O)CS/C2=N\c2ccc(F)cc2)cc1OC ZINC000004709405 207040628 /nfs/dbraw/zinc/04/06/28/207040628.db2.gz GJBWRTXBHBPBDF-VZCXRCSSSA-N 0 0 374.437 3.649 50 30 FHEARN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccccc1F ZINC000004739598 207045517 /nfs/dbraw/zinc/04/55/17/207045517.db2.gz NVBHYZCYILVQNY-UFFVCSGVSA-N 0 0 353.357 3.982 50 30 FHEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=Nc3ncnn3[C@@H](c3ccccc3)C12 ZINC000004776966 207047990 /nfs/dbraw/zinc/04/79/90/207047990.db2.gz MXECBZLIJPOJEN-YWZLYKJASA-N 0 0 360.392 3.833 50 30 FHEARN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000004857323 207056071 /nfs/dbraw/zinc/05/60/71/207056071.db2.gz UAHLQBDVTZIETF-GTNSWQLSSA-N 0 0 354.431 3.666 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@@H]1c1ccco1 ZINC000004919901 207062679 /nfs/dbraw/zinc/06/26/79/207062679.db2.gz MIAKANQSXNUVFG-FOIQADDNSA-N 0 0 370.401 3.616 50 30 FHEARN COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1 ZINC000004914493 207060939 /nfs/dbraw/zinc/06/09/39/207060939.db2.gz RZLMPRHWZONEBB-QAPCUYQASA-N 0 0 365.404 3.839 50 30 FHEARN C=CCOc1ccc(/C=C2\Oc3ccc(C(=O)OC)cc3C2=O)cc1OC ZINC000005047868 207076574 /nfs/dbraw/zinc/07/65/74/207076574.db2.gz OWYIHNQLFJKFDI-ODLFYWEKSA-N 0 0 366.369 3.663 50 30 FHEARN CC(C)c1ccc(C[C@H]2S/C(=N\N=C\c3ccccc3)NC2=O)cc1 ZINC000005234059 207088624 /nfs/dbraw/zinc/08/86/24/207088624.db2.gz AXWFYVTYRYVPQT-KOMLCTQHSA-N 0 0 351.475 3.974 50 30 FHEARN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccccc1)c1ccccc1 ZINC000005409290 207098816 /nfs/dbraw/zinc/09/88/16/207098816.db2.gz DIKVMMZJRFFMIW-IBGZPJMESA-N 0 0 356.381 3.865 50 30 FHEARN COc1ccc(/C=C2\SC(N/N=C/c3ccc(Cl)cc3)=NC2=O)cc1 ZINC000005558621 207105966 /nfs/dbraw/zinc/10/59/66/207105966.db2.gz SMZKBIGJCMBKLH-YPWBLNBHSA-N 0 0 371.849 3.943 50 30 FHEARN N#Cc1ccccc1-c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1 ZINC000005646737 207111390 /nfs/dbraw/zinc/11/13/90/207111390.db2.gz PCMHYWZVBROPFW-ODLFYWEKSA-N 0 0 369.405 3.589 50 30 FHEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccccn1 ZINC000005650335 207110916 /nfs/dbraw/zinc/11/09/16/207110916.db2.gz QLJLIVYQJAOJAV-QGMBQPNBSA-N 0 0 350.234 3.818 50 30 FHEARN O=C1C[C@@H]2c3ccccc3CCN2C(=O)C1=CNc1ccc(Cl)cc1 ZINC000005668830 207111180 /nfs/dbraw/zinc/11/11/80/207111180.db2.gz ZVPARHIXMDCHFW-XCMFGDQWSA-N 0 0 352.821 3.735 50 30 FHEARN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1ncnc2sc3c(c21)CCC3 ZINC000006112728 207129968 /nfs/dbraw/zinc/12/99/68/207129968.db2.gz JYCAGUNQAAVLQC-VOJFVSQTSA-N 0 0 374.535 3.715 50 30 FHEARN CC1(C)CC(=O)C2C(=Nc3nc(C(F)(F)F)nn3[C@H]2c2ccccc2)C1 ZINC000006263406 207135537 /nfs/dbraw/zinc/13/55/37/207135537.db2.gz UYURVQBBTJZMJX-AWEZNQCLSA-N 0 0 362.355 3.955 50 30 FHEARN C=CCOc1ccc(/C=C2/Oc3ccc(C(=O)OC)cc3C2=O)cc1OC ZINC000006441249 207141248 /nfs/dbraw/zinc/14/12/48/207141248.db2.gz OWYIHNQLFJKFDI-YBFXNURJSA-N 0 0 366.369 3.663 50 30 biogenic,in-vitro FHEARN CCCN1c2ccccc2/C(=N/NC(=S)Nc2cccc(C)c2C)C1=O ZINC000006708968 207155293 /nfs/dbraw/zinc/15/52/93/207155293.db2.gz GCQVREJWJWFYGH-PYCFMQQDSA-N 0 0 366.490 3.751 50 30 FHEARN CCCN1c2ccccc2/C(=N/NC(=S)Nc2ccc(C)cc2C)C1=O ZINC000006708954 207156139 /nfs/dbraw/zinc/15/61/39/207156139.db2.gz HRAYSRZJBBYBID-PYCFMQQDSA-N 0 0 366.490 3.751 50 30 FHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 ZINC000006786359 207165270 /nfs/dbraw/zinc/16/52/70/207165270.db2.gz GHGQUZNMXXTRLD-KRWDZBQOSA-N 0 0 371.820 3.565 50 30 FHEARN C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(C#N)c(Cl)c2)CC1=O ZINC000006882213 207175420 /nfs/dbraw/zinc/17/54/20/207175420.db2.gz FXERTECWEPGMKG-CZUORRHYSA-N 0 0 367.836 3.760 50 30 FHEARN CCCNc1c2ccccc2oc(=O)c1/N=C(\O)c1ccc2c(c1)OCO2 ZINC000006917538 207177288 /nfs/dbraw/zinc/17/72/88/207177288.db2.gz WYPSELZNTNGQEZ-UHFFFAOYSA-N 0 0 366.373 3.980 50 30 FHEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(F)c2)cc1 ZINC000006819619 207170372 /nfs/dbraw/zinc/17/03/72/207170372.db2.gz YZIKUPLKYXFVGO-CRAIPNDOSA-N 0 0 365.404 3.839 50 30 FHEARN N#Cc1cccnc1SCC(=O)Nc1ccc(Br)cc1F ZINC000007051466 207185393 /nfs/dbraw/zinc/18/53/93/207185393.db2.gz GHYSPHZXEHVXFB-UHFFFAOYSA-N 0 0 366.215 3.586 50 30 FHEARN COc1ccc(/C=C2\S/C(=N\c3c(C)cccc3C)NC2=O)cc1O ZINC000007165084 207189628 /nfs/dbraw/zinc/18/96/28/207189628.db2.gz MWMPGEXMSPFKMN-YBEGLDIGSA-N 0 0 354.431 3.909 50 30 FHEARN Cc1cc(C)n(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c(=O)c1C#N ZINC000007615861 207198919 /nfs/dbraw/zinc/19/89/19/207198919.db2.gz BYMVOTJWVBXOPN-UHFFFAOYSA-N 0 0 373.412 3.768 50 30 FHEARN N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000007217454 207190696 /nfs/dbraw/zinc/19/06/96/207190696.db2.gz DSTARGFSNGUFCI-MRXNPFEDSA-N 0 0 369.471 3.694 50 30 FHEARN Cc1ccc2[nH]c(C3=C(N)N(c4cc(Cl)ccc4C)CC3=O)nc2c1 ZINC000007995052 207216254 /nfs/dbraw/zinc/21/62/54/207216254.db2.gz MFAVOAHEQZGSIH-UHFFFAOYSA-N 0 0 352.825 3.550 50 30 FHEARN COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000008342941 207230137 /nfs/dbraw/zinc/23/01/37/207230137.db2.gz CFDWKYUXHVNEAO-FQEVSTJZSA-N 0 0 370.474 3.873 50 30 FHEARN CCOC(=O)c1c(C)[nH]c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c1C ZINC000008321385 207228981 /nfs/dbraw/zinc/22/89/81/207228981.db2.gz SUFJOHAGSUILAH-VQHVLOKHSA-N 0 0 357.406 3.722 50 30 FHEARN C[C@@H](Sc1n[nH]c(-c2cccs2)n1)C(=O)Nc1cccc(C#N)c1 ZINC000008735005 207244563 /nfs/dbraw/zinc/24/45/63/207244563.db2.gz ZIXLYRKLXKAYOV-SNVBAGLBSA-N 0 0 355.448 3.524 50 30 FHEARN COc1cc([C@@H]2C3=C(NC4=C2C(=O)CCC4)c2ccccc2C3=O)ccc1O ZINC000008996170 207253920 /nfs/dbraw/zinc/25/39/20/207253920.db2.gz FNVGSOFWHKUKOL-IBGZPJMESA-N 0 0 373.408 3.702 50 30 FHEARN CC(C)N1/C(=C\c2cccc3[nH]ccc32)C(=O)c2ccccc2S1(=O)=O ZINC000009547592 207277080 /nfs/dbraw/zinc/27/70/80/207277080.db2.gz VTGRPXONZJOOSH-PDGQHHTCSA-N 0 0 366.442 3.804 50 30 FHEARN CCSc1nnc(NC(=O)NC(C)(C(F)(F)F)C(F)(F)F)s1 ZINC000009329455 207265805 /nfs/dbraw/zinc/26/58/05/207265805.db2.gz JXNXNDOMLRHESR-UHFFFAOYSA-N 0 0 368.328 3.669 50 30 FHEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H](C)c1cccc2ccccc21 ZINC000010030305 207293800 /nfs/dbraw/zinc/29/38/00/207293800.db2.gz FRXOOLQHBKYDCT-MRXNPFEDSA-N 0 0 373.456 3.827 50 30 FHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)c1ccccn1 ZINC000010814157 207305732 /nfs/dbraw/zinc/30/57/32/207305732.db2.gz ZZNOSQUHSJFERO-KRWDZBQOSA-N 0 0 357.413 3.954 50 30 FHEARN CCN1C=C(C(=O)C=Cc2ccccc2)[C@@H](c2ccc(OC)cc2)NC1=O ZINC000012321195 207361268 /nfs/dbraw/zinc/36/12/68/207361268.db2.gz AADJGNWQRMEIBQ-ZGQNHIEXSA-N 0 0 362.429 3.948 50 30 FHEARN C=CCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)cc1 ZINC000012349027 207366482 /nfs/dbraw/zinc/36/64/82/207366482.db2.gz PYDISDHXFQZNDA-GOSISDBHSA-N 0 0 350.422 3.501 50 30 FHEARN CCOC(=O)[C@@H](N1CCCCC1)C(C#N)(c1ccccc1)c1ccccc1 ZINC000012412208 207371573 /nfs/dbraw/zinc/37/15/73/207371573.db2.gz HSSLGFAIWJIOPK-OAQYLSRUSA-N 0 0 362.473 3.914 50 30 FHEARN CN(/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000012523974 207385284 /nfs/dbraw/zinc/38/52/84/207385284.db2.gz IYTNMNAZVDVEBJ-QZQOTICOSA-N 0 0 350.443 3.959 50 30 FHEARN Cc1c(C)n(C2CCCC2)c(NC(=O)CSc2nccn2C)c1C#N ZINC000012531794 207387532 /nfs/dbraw/zinc/38/75/32/207387532.db2.gz VKSAEGKDDVRSRQ-UHFFFAOYSA-N 0 0 357.483 3.556 50 30 FHEARN COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N[C@@H](C)c1cccs1 ZINC000012567826 207396687 /nfs/dbraw/zinc/39/66/87/207396687.db2.gz HTJLKTJOXUJGRF-RYUDHWBXSA-N 0 0 352.419 3.645 50 30 FHEARN N#Cc1ccc(C(=O)CSc2nnc(NCc3ccccc3)s2)cc1 ZINC000012618763 207403788 /nfs/dbraw/zinc/40/37/88/207403788.db2.gz HKIVRSKIHSBKJD-UHFFFAOYSA-N 0 0 366.471 3.997 50 30 FHEARN CCc1nc(C)c(C#N)c(S[C@H](C)C(=O)Nc2cc(C)ccc2C)n1 ZINC000012894599 207433675 /nfs/dbraw/zinc/43/36/75/207433675.db2.gz MSYHZNDSHNRSQZ-CQSZACIVSA-N 0 0 354.479 3.955 50 30 FHEARN N#CCC[C@@H](C#N)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O ZINC000014196831 207511458 /nfs/dbraw/zinc/51/14/58/207511458.db2.gz FQQIUVNROFZGIT-LBPRGKRZSA-N 0 0 352.394 3.708 50 30 FHEARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1CCc1ccccc1 ZINC000017862017 207622690 /nfs/dbraw/zinc/62/26/90/207622690.db2.gz WIYKBHTUYLVICM-UHFFFAOYSA-N 0 0 361.470 3.565 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 ZINC000019229027 207651645 /nfs/dbraw/zinc/65/16/45/207651645.db2.gz UNPIKGFSLWMGKX-IBGZPJMESA-N 0 0 368.477 3.530 50 30 FHEARN CCCc1nc(N)c(C#N)c(-c2ccc(OC)c(OC)c2OC)c1CC ZINC000020329729 207731076 /nfs/dbraw/zinc/73/10/76/207731076.db2.gz OMBXHSDJJFXWKU-UHFFFAOYSA-N 0 0 355.438 3.743 50 30 FHEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 ZINC000022520961 207809119 /nfs/dbraw/zinc/80/91/19/207809119.db2.gz YQIOYIPSPCELDE-QGZVFWFLSA-N 0 0 354.450 3.639 50 30 FHEARN N#Cc1c2c(sc1NC(=O)COC(=O)CCc1ccco1)CCCCC2 ZINC000024981870 207881658 /nfs/dbraw/zinc/88/16/58/207881658.db2.gz CPYWAIVNTLXOIW-UHFFFAOYSA-N 0 0 372.446 3.596 50 30 FHEARN N#Cc1cccc(COC(=O)c2cnn(Cc3ccccc3Cl)c2)c1 ZINC000026243337 207909093 /nfs/dbraw/zinc/90/90/93/207909093.db2.gz BKPMVPAKAWUKAZ-UHFFFAOYSA-N 0 0 351.793 3.813 50 30 FHEARN COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000040107294 207960402 /nfs/dbraw/zinc/96/04/02/207960402.db2.gz RLYZSIDQVANDMK-ROUUACIJSA-N 0 0 356.466 3.907 50 30 FHEARN N#Cc1ccc(Nc2ccc(N3CCCC3=O)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000032871934 208051197 /nfs/dbraw/zinc/05/11/97/208051197.db2.gz VGQBDPGJPBXGEC-UHFFFAOYSA-N 0 0 356.769 3.990 50 30 FHEARN C/C(=N\N1CCN(Cc2ccccc2Cl)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000032694172 208035331 /nfs/dbraw/zinc/03/53/31/208035331.db2.gz GKDCYDHTHCBRLI-RCCKNPSSSA-N 0 0 372.856 3.790 50 30 FHEARN N#Cc1ccc(OCC(=O)Nc2cccc(OCc3ccncc3)c2)cc1 ZINC000032915680 208056647 /nfs/dbraw/zinc/05/66/47/208056647.db2.gz JSHNRVARZNNLTE-UHFFFAOYSA-N 0 0 359.385 3.550 50 30 FHEARN Cc1ccccc1-n1c2c(cc(C#N)c1=O)C(=O)C[C@@H](c1ccccc1)C2 ZINC000032985439 208063026 /nfs/dbraw/zinc/06/30/26/208063026.db2.gz QHJHPENRVJIGHM-KRWDZBQOSA-N 0 0 354.409 3.930 50 30 FHEARN CCc1cc(NC(=O)c2ccc(C#N)cc2)nn1-c1ccc(F)cc1F ZINC000034907280 208114657 /nfs/dbraw/zinc/11/46/57/208114657.db2.gz WSKPCDGFFDLNIG-UHFFFAOYSA-N 0 0 352.344 3.837 50 30 FHEARN N#Cc1cc(NC(=O)Cc2ccccc2F)ccc1OCC(F)(F)F ZINC000036394668 208161560 /nfs/dbraw/zinc/16/15/60/208161560.db2.gz PZQPJYAPRNUBOB-UHFFFAOYSA-N 0 0 352.287 3.820 50 30 FHEARN N#CC1(NC(=O)CNc2ccc(OC(F)(F)F)cc2)CCCCCC1 ZINC000040061255 208221375 /nfs/dbraw/zinc/22/13/75/208221375.db2.gz NPIUPCRVRHXDPA-UHFFFAOYSA-N 0 0 355.360 3.730 50 30 FHEARN N#Cc1ccccc1N1CCCN(C(=O)Cc2c(F)cccc2Cl)CC1 ZINC000046848855 208369411 /nfs/dbraw/zinc/36/94/11/208369411.db2.gz MRBZVSJSKOFIRP-UHFFFAOYSA-N 0 0 371.843 3.632 50 30 FHEARN CCOC(=O)COc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)c1C#N ZINC000068680664 208747622 /nfs/dbraw/zinc/74/76/22/208747622.db2.gz XZLLRFYQTGFWLW-UHFFFAOYSA-N 0 0 364.323 3.889 50 30 FHEARN Cc1ccc(-c2cc(C(=O)N3CCC(C#N)(c4ccccc4)CC3)[nH]n2)o1 ZINC000091445238 208977739 /nfs/dbraw/zinc/97/77/39/208977739.db2.gz DRMGRKQGTOKWFD-UHFFFAOYSA-N 0 0 360.417 3.676 50 30 FHEARN C[C@H]1CC[C@@H](OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 ZINC000095996099 209095381 /nfs/dbraw/zinc/09/53/81/209095381.db2.gz GDIKYKHXTOMNAY-DZGCQCFKSA-N 0 0 369.421 3.754 50 30 FHEARN CCN(C(=O)c1cc(OC)c2c(c1)OCCO2)[C@@H](C)c1ccc(C#N)cc1 ZINC000058712886 221122533 /nfs/dbraw/zinc/12/25/33/221122533.db2.gz LYLIAUAGKBYQNZ-AWEZNQCLSA-N 0 0 366.417 3.561 50 30 FHEARN C/C(=N/N1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000000946026 533415230 /nfs/dbraw/zinc/41/52/30/533415230.db2.gz FXYHXEXLGWXHTD-HKWRFOASSA-N 0 0 358.283 3.995 50 30 FHEARN BrC(/C=N/N1CCN(c2ccccn2)CC1)=C\c1ccccc1 ZINC000100575486 132233048 /nfs/dbraw/zinc/23/30/48/132233048.db2.gz FZNNISGQTKDUIM-WANMUPLOSA-N 0 0 371.282 3.625 50 30 FHEARN C=CCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1 ZINC000043740504 132301092 /nfs/dbraw/zinc/30/10/92/132301092.db2.gz QPAWKFRFRXVAJB-UHFFFAOYSA-N 0 0 372.852 3.994 50 30 FHEARN C=C(C)Cn1cnc2c(sc3nc(N4CCCCC4)cc(C)c32)c1=O ZINC000071282854 132302701 /nfs/dbraw/zinc/30/27/01/132302701.db2.gz ARICDNUSGKMCSC-UHFFFAOYSA-N 0 0 354.479 3.881 50 30 FHEARN C=C(C)CN1CCN(c2c(C)c(C)nc3c(-c4ccccc4)cnn32)CC1 ZINC000005269604 132306091 /nfs/dbraw/zinc/30/60/91/132306091.db2.gz UZQFCLUECBZTPP-UHFFFAOYSA-N 0 0 361.493 3.711 50 30 FHEARN N#Cc1ccc(N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000001390026 132381695 /nfs/dbraw/zinc/38/16/95/132381695.db2.gz MBCIUTYEVVSPLQ-UHFFFAOYSA-N 0 0 359.351 3.539 50 30 FHEARN CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2Cl)N=C(NC#N)N1 ZINC000072467762 221541110 /nfs/dbraw/zinc/54/11/10/221541110.db2.gz QYZBWXZEOFECTB-QGZVFWFLSA-N 0 0 350.809 3.568 50 30 FHEARN Cn1ncc(C(=O)O/N=C/c2ccc(Cl)cc2Cl)c1-n1cccc1 ZINC000001027789 263142184 /nfs/dbraw/zinc/14/21/84/263142184.db2.gz AOMDWWSMLIYEDU-AWQFTUOYSA-N 0 0 363.204 3.709 50 30 FHEARN COc1ccc2[nH]c(SCC(=O)N(CCC#N)c3ccccc3)nc2c1 ZINC000003337329 263328966 /nfs/dbraw/zinc/32/89/66/263328966.db2.gz GRXGNCDEOCRQSB-UHFFFAOYSA-N 0 0 366.446 3.610 50 30 FHEARN CO/N=C/C(C(=O)Nc1ccc(C)cc1C)C(=O)Nc1ccc(C)cc1C ZINC000005379880 263341049 /nfs/dbraw/zinc/34/10/49/263341049.db2.gz FPGKXVOLNIYRFB-WSDLNYQXSA-N 0 0 367.449 3.746 50 30 FHEARN CCn1ncc(Br)c1C(=O)/C=C/c1ccc(OC)cc1OC ZINC000006556025 263346088 /nfs/dbraw/zinc/34/60/88/263346088.db2.gz XKRGGXXRFXWVNR-SOFGYWHQSA-N 0 0 365.227 3.579 50 30 FHEARN C[C@H](Sc1ccc(Cl)cc1)C(=O)ONC(=N)c1ccc(F)cc1 ZINC000008986414 263358191 /nfs/dbraw/zinc/35/81/91/263358191.db2.gz AZFVUDNJYOJGNN-JTQLQIEISA-N 0 0 352.818 3.823 50 30 FHEARN N#CC1(NC(=O)COC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)CCCCCC1 ZINC000051797835 263408819 /nfs/dbraw/zinc/40/88/19/263408819.db2.gz ZRYHUZKGKSECBH-UONOGXRCSA-N 0 0 374.403 3.631 50 30 FHEARN Cc1cccc(CC(=O)N2C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C2)c1 ZINC000328593812 263468936 /nfs/dbraw/zinc/46/89/36/263468936.db2.gz MOHYYSCISFUBSP-IIBYNOLFSA-N 0 0 360.498 3.751 50 30 FHEARN N#C[C@H]1CCCN(C(=O)c2cccc(-c3cnn(Cc4ccccc4)c3)c2)C1 ZINC000426489929 263604110 /nfs/dbraw/zinc/60/41/10/263604110.db2.gz PUYPKWNGTRFZRU-LJQANCHMSA-N 0 0 370.456 3.974 50 30 FHEARN CC(C)c1nnc([C@H](C)NC(=O)CC2=C(c3ccccc3)CCC2=O)o1 ZINC000426613691 263644795 /nfs/dbraw/zinc/64/47/95/263644795.db2.gz XBSYEFQBBHPBLM-ZDUSSCGKSA-N 0 0 353.422 3.577 50 30 FHEARN C#CCn1c2c(cccc2Cl)s/c1=N\C(=O)c1ccc(OC)cc1 ZINC000100909920 518340971 /nfs/dbraw/zinc/34/09/71/518340971.db2.gz ZMLRSXHEABHGSU-ZZEZOPTASA-N 0 0 356.834 3.739 50 30 FHEARN C#CCn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 ZINC000100909855 518342543 /nfs/dbraw/zinc/34/25/43/518342543.db2.gz IRBWGSOJXQKGMP-VXPUYCOJSA-N 0 0 365.414 3.602 50 30 FHEARN C#CCn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(C)c(C)c1 ZINC000100875899 518343272 /nfs/dbraw/zinc/34/32/72/518343272.db2.gz TXWXHPBIDRTABL-MRCUWXFGSA-N 0 0 350.443 3.703 50 30 FHEARN CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1cc(-c2ccccc2)no1 ZINC000029368084 518550325 /nfs/dbraw/zinc/55/03/25/518550325.db2.gz QDEIHHUPBLYVSH-ZDLGFXPLSA-N 0 0 356.447 3.874 50 30 FHEARN C=C(C)COc1ccc(C(=O)NCc2nc(-c3ccc(C)cc3)no2)cc1 ZINC000013533656 518613274 /nfs/dbraw/zinc/61/32/74/518613274.db2.gz PGEFFIWOUWPDHE-UHFFFAOYSA-N 0 0 363.417 3.930 50 30 FHEARN C=C(C)COc1cccc(C(=O)NCc2ccc(C(F)(F)F)nc2)c1 ZINC000055042684 518619663 /nfs/dbraw/zinc/61/96/63/518619663.db2.gz BLHQQFMDWOCAOU-UHFFFAOYSA-N 0 0 350.340 3.985 50 30 FHEARN C=C(C)COc1cccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000007499502 518619769 /nfs/dbraw/zinc/61/97/69/518619769.db2.gz YVNZXJNFBISSQC-UHFFFAOYSA-N 0 0 366.461 3.613 50 30 FHEARN C=C(C)COc1ccccc1C(=O)N[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000055099026 518621518 /nfs/dbraw/zinc/62/15/18/518621518.db2.gz ZHCDRKDFMWZGQT-AWEZNQCLSA-N 0 0 364.405 3.578 50 30 FHEARN C=C(C)[C@H]1OCCC[C@H]1C(=O)N[C@@H](C)COc1ccccc1C(F)(F)F ZINC000225589289 518646274 /nfs/dbraw/zinc/64/62/74/518646274.db2.gz QRNVRZGUOQPWJP-JJRVBVJISA-N 0 0 371.399 3.960 50 30 FHEARN C=CCN(C(=O)CSc1nnc(-c2ccoc2C)o1)c1ccccc1 ZINC000008277136 518733956 /nfs/dbraw/zinc/73/39/56/518733956.db2.gz MQUHWGQSXOJTBD-UHFFFAOYSA-N 0 0 355.419 3.949 50 30 FHEARN C=CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1)Cc1ccc(Cl)s1 ZINC000008164188 518757198 /nfs/dbraw/zinc/75/71/98/518757198.db2.gz BRALLVDRWSSPJX-UHFFFAOYSA-N 0 0 365.842 3.936 50 30 FHEARN C=CCN(CC=C)C(=O)c1cnn(-c2nccc(-c3cccs3)n2)c1C ZINC000015067754 518769215 /nfs/dbraw/zinc/76/92/15/518769215.db2.gz OJFVRISUBJFJGV-UHFFFAOYSA-N 0 0 365.462 3.513 50 30 FHEARN C=CCN(Cc1ccccc1)C(=O)c1cc2c([nH]c1=O)CCC(C)(C)C2 ZINC000089919504 518785933 /nfs/dbraw/zinc/78/59/33/518785933.db2.gz PXTNAKDVSWOYJK-UHFFFAOYSA-N 0 0 350.462 3.718 50 30 FHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)Nc1cccc(OC)c1 ZINC000005427488 518799225 /nfs/dbraw/zinc/79/92/25/518799225.db2.gz FMUYFLXYLOUZLR-UHFFFAOYSA-N 0 0 364.405 3.965 50 30 FHEARN C=CCNC(=O)[C@@H](C)Nc1ccc(OC)c(Oc2ccc(OC)cc2)c1 ZINC000023626903 518913489 /nfs/dbraw/zinc/91/34/89/518913489.db2.gz FMYLAJARLNAAAC-CQSZACIVSA-N 0 0 356.422 3.599 50 30 FHEARN C=CCOc1ccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC000004868819 519026941 /nfs/dbraw/zinc/02/69/41/519026941.db2.gz FWFAGUFZPRAHKA-UHFFFAOYSA-N 0 0 369.808 3.885 50 30 FHEARN C=CCOc1ccc(CN(C)CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000008037615 519031498 /nfs/dbraw/zinc/03/14/98/519031498.db2.gz MISAWFJRHFPBOY-UHFFFAOYSA-N 0 0 368.521 3.768 50 30 FHEARN C=CCOc1ccc(CN(C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1 ZINC000008037654 519032753 /nfs/dbraw/zinc/03/27/53/519032753.db2.gz YGFKOAFVHGWXIF-UHFFFAOYSA-N 0 0 369.852 3.847 50 30 FHEARN C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)CC[C@@]1(C)CCC(=O)N1 ZINC000012512961 519109668 /nfs/dbraw/zinc/10/96/68/519109668.db2.gz GKBMRHIOOXQHCX-XQBPLPMBSA-N 0 0 352.478 3.910 50 30 FHEARN C=CC[C@H]1CC=C[C@H](CCCC)N1C(=O)CCn1c(C)cc(C)nc1=O ZINC000055133401 519121134 /nfs/dbraw/zinc/12/11/34/519121134.db2.gz HHTQUCVQFRVBJQ-OALUTQOASA-N 0 0 357.498 3.542 50 30 FHEARN C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccco1 ZINC000008935429 519209504 /nfs/dbraw/zinc/20/95/04/519209504.db2.gz YGXQVYDTOFUAKM-AWEZNQCLSA-N 0 0 368.462 3.694 50 30 FHEARN C=CCn1c(S[C@H](C)C(=O)c2ccc(OC)c(OC)c2)nnc1C1CC1 ZINC000058217020 519257976 /nfs/dbraw/zinc/25/79/76/519257976.db2.gz USRIMHQSAIGJEG-GFCCVEGCSA-N 0 0 373.478 3.722 50 30 FHEARN C=CCn1c2ccc(NC(C)=O)cc2sc1=NC(=O)Cc1ccccc1 ZINC000100874952 519262628 /nfs/dbraw/zinc/26/26/28/519262628.db2.gz GWDGIYIEVYPPCQ-XDOYNYLZSA-N 0 0 365.458 3.517 50 30 FHEARN C=CCn1cc(-c2cn([C@@H](C)c3nc4c(s3)CCCC4)nn2)c(C)n1 ZINC000091965018 519276322 /nfs/dbraw/zinc/27/63/22/519276322.db2.gz KCVHFJDOFCFQIK-ZDUSSCGKSA-N 0 0 354.483 3.581 50 30 FHEARN CC(=O)O[C@@H]1CC[C@@]2(/C=N/O)C(=CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000261490497 519757106 /nfs/dbraw/zinc/75/71/06/519757106.db2.gz JIIVOVFNPCJNDJ-GQETZVPDSA-N 0 0 359.466 3.890 50 30 FHEARN CCN(C(=O)CSc1nc2ccccc2n1CCC#N)C1=CCCC1 ZINC000007738379 519921061 /nfs/dbraw/zinc/92/10/61/519921061.db2.gz MLAVWVCWDHJMOG-UHFFFAOYSA-N 0 0 354.479 3.958 50 30 FHEARN CCCNS(=O)(=O)c1ccc(C(=O)/C=C\c2ccc(F)c(F)c2)cc1 ZINC000096765662 519979410 /nfs/dbraw/zinc/97/94/10/519979410.db2.gz ZAMJITMOURYGQJ-WMZJFQQLSA-N 0 0 365.401 3.549 50 30 FHEARN CCCOc1ccc(C(=O)ONC(=N)c2ccc(C(F)(F)F)cc2)cc1 ZINC000003913262 520337978 /nfs/dbraw/zinc/33/79/78/520337978.db2.gz NTXCRSMGZROVNL-UHFFFAOYSA-N 0 0 366.339 3.972 50 30 FHEARN CCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1 ZINC000002376357 520719187 /nfs/dbraw/zinc/71/91/87/520719187.db2.gz PENQXNIWKBQDRA-OAHLLOKOSA-N 0 0 352.438 3.571 50 30 FHEARN CCCCOC(=O)c1ccc(-c2ccc(/C=N/NC(=S)NCC)o2)cc1 ZINC000008681024 520720859 /nfs/dbraw/zinc/72/08/59/520720859.db2.gz FYDGZWFQEMOMFQ-FYJGNVAPSA-N 0 0 373.478 3.721 50 30 FHEARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1)C2=O ZINC000005898441 521034192 /nfs/dbraw/zinc/03/41/92/521034192.db2.gz VHXTZTNMLKOBLF-LPXFMOJISA-N 0 0 368.385 3.642 50 30 biogenic FHEARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(C)c1)C2=O ZINC000013550903 521217336 /nfs/dbraw/zinc/21/73/36/521217336.db2.gz OSOUOYHYRXGRBV-KVMVOAJRSA-N 0 0 352.386 3.942 50 30 FHEARN CCOc1cccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c1O ZINC000019849076 521315343 /nfs/dbraw/zinc/31/53/43/521315343.db2.gz UWXFNDRYKAHZMG-HYARGMPZSA-N 0 0 373.884 3.596 50 30 FHEARN CCOC(=O)c1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000002309731 521490231 /nfs/dbraw/zinc/49/02/31/521490231.db2.gz DSPOBIKWFDKLCP-UHFFFAOYSA-N 0 0 361.213 3.635 50 30 FHEARN COc1c2c(cc3c1[C@@H](CC(=N[O-])c1ccc(C)cc1)[N@H+](C)CC3)OCO2 ZINC000252679463 521886391 /nfs/dbraw/zinc/88/63/91/521886391.db2.gz MVDDOMAAIMLAQN-QGZVFWFLSA-N 0 0 368.433 3.530 50 30 FHEARN COC(=O)C(C(=O)CSc1ccc(Cl)cc1)=C1Nc2ccccc2N1 ZINC000022846053 522746528 /nfs/dbraw/zinc/74/65/28/522746528.db2.gz NWGFJVLJBIUIDB-UHFFFAOYSA-N 0 0 374.849 3.923 50 30 FHEARN COc1ccc(/C=C\C(=O)c2ccc3c(c2)OCO3)cc1Cn1cccn1 ZINC000006490719 523435072 /nfs/dbraw/zinc/43/50/72/523435072.db2.gz WVJQXSWDKXDSPK-UTCJRWHESA-N 0 0 362.385 3.565 50 30 FHEARN COc1ccc(C(=O)C[C@@H](C#N)c2ccc(OC)c(OC)c2)cc1OC ZINC000002124355 523591913 /nfs/dbraw/zinc/59/19/13/523591913.db2.gz KNSUGJPUWURPHN-HNNXBMFYSA-N 0 0 355.390 3.601 50 30 biogenic FHEARN CN(C(=O)CSc1nnc(-c2ccccc2F)o1)C1(C#N)CCCCC1 ZINC000004987615 523841630 /nfs/dbraw/zinc/84/16/30/523841630.db2.gz VDWURVRBURMUOK-UHFFFAOYSA-N 0 0 374.441 3.653 50 30 FHEARN COc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1OC ZINC000252429358 523883987 /nfs/dbraw/zinc/88/39/87/523883987.db2.gz HBJZKYAYKAKCRG-UHFFFAOYSA-N 0 0 374.853 3.787 50 30 FHEARN Cc1cccc(/C=C2\Oc3cc(OCC(=O)OC(C)C)ccc3C2=O)c1 ZINC000009530429 524154022 /nfs/dbraw/zinc/15/40/22/524154022.db2.gz MEUTVBORJGBBSR-GRSHGNNSSA-N 0 0 352.386 3.942 50 30 FHEARN Cc1cccc(C(=O)O/N=C(\c2ccncc2)c2ccc([N+](=O)[O-])cc2)c1 ZINC000001211453 524223873 /nfs/dbraw/zinc/22/38/73/524223873.db2.gz YTHSYIXSDSLPTN-QOCHGBHMSA-N 0 0 361.357 3.908 50 30 FHEARN COc1ccc(N=C(Nc2cccc(C#N)c2)n2sc(C)cc2=N)cc1 ZINC000020344046 524377585 /nfs/dbraw/zinc/37/75/85/524377585.db2.gz YZFFWUGXSGDDIY-UHFFFAOYSA-N 0 0 363.446 3.866 50 30 FHEARN C[C@H]1CCc2c(C(=O)OCC(=O)N(C)C3(C#N)CCCCC3)csc2C1 ZINC000008669700 524434214 /nfs/dbraw/zinc/43/42/14/524434214.db2.gz SZBGYCMZYPXQAR-AWEZNQCLSA-N 0 0 374.506 3.715 50 30 FHEARN COc1ccc(NC(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)c(C)n1 ZINC000328596632 524448304 /nfs/dbraw/zinc/44/83/04/524448304.db2.gz JZDIAACNNZTQNB-UHFFFAOYSA-N 0 0 350.762 3.926 50 30 FHEARN Cc1cc([N-][NH+]=Cc2ccc(N(C)C)cc2)nc(NCc2ccccc2)n1 ZINC000004819483 525045004 /nfs/dbraw/zinc/04/50/04/525045004.db2.gz CYJFBURBBCQKBM-HZHRSRAPSA-N 0 0 360.465 3.909 50 30 FHEARN C[C@](C#N)(NC(=O)CSc1ncc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000008709453 525138634 /nfs/dbraw/zinc/13/86/34/525138634.db2.gz UCTHRQFFZSOCBM-QGZVFWFLSA-N 0 0 361.854 3.896 50 30 FHEARN CS(=O)(=O)Nc1cccc(C(=O)/C=C/c2ccc3ncccc3c2)c1 ZINC000006362143 525225129 /nfs/dbraw/zinc/22/51/29/525225129.db2.gz NCDDICAFHYBDGU-CSKARUKUSA-N 0 0 352.415 3.502 50 30 FHEARN COc1ccc([C@@H]2CCCN2CC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000020947400 525251264 /nfs/dbraw/zinc/25/12/64/525251264.db2.gz XLTHZSZBJKZWES-NRFANRHFSA-N 0 0 363.461 3.779 50 30 FHEARN Cc1ccccc1OCC(=O)ONC(=N)Cc1ccc(Cl)cc1Cl ZINC000004889061 525280973 /nfs/dbraw/zinc/28/09/73/525280973.db2.gz RXSQVICCIWQTOF-UHFFFAOYSA-N 0 0 367.232 3.739 50 30 FHEARN Cc1ccc(OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)c([N+](=O)[O-])n1 ZINC000032666627 525377288 /nfs/dbraw/zinc/37/72/88/525377288.db2.gz ACFVLSKGXTWYNF-WQRHYEAKSA-N 0 0 367.405 3.558 50 30 FHEARN C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000089420063 525935836 /nfs/dbraw/zinc/93/58/36/525935836.db2.gz FSANAFYMWXPMME-RHSMWYFYSA-N 0 0 370.836 3.659 50 30 FHEARN Cc1cc(=N)n(C(=Nc2ccc(F)cc2)Nc2cccc(C#N)c2)s1 ZINC000020344011 526098226 /nfs/dbraw/zinc/09/82/26/526098226.db2.gz HLHHUZHQVCEKOP-UHFFFAOYSA-N 0 0 351.410 3.996 50 30 FHEARN Cc1ccc(C(=O)ONC(=N)CSc2ncccc2C(F)(F)F)cc1 ZINC000004365348 526237373 /nfs/dbraw/zinc/23/73/73/526237373.db2.gz MRGNWZBTARYYNY-UHFFFAOYSA-N 0 0 369.368 3.630 50 30 FHEARN N#CCCN(C(=O)CN1CCC[C@@H]1c1cccs1)c1ccccc1F ZINC000020947915 526448008 /nfs/dbraw/zinc/44/80/08/526448008.db2.gz WPNDZFVLPSIQOZ-QGZVFWFLSA-N 0 0 357.454 3.971 50 30 FHEARN N#CCCN(CCC#N)c1ncc(Sc2ccccc2[N+](=O)[O-])s1 ZINC000003196411 526456345 /nfs/dbraw/zinc/45/63/45/526456345.db2.gz IIRLOTVBOUSYFG-UHFFFAOYSA-N 0 0 359.436 3.836 50 30 FHEARN N#Cc1ccc(CN=Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 ZINC000004394991 526585512 /nfs/dbraw/zinc/58/55/12/526585512.db2.gz XLHUJNQZAPSLSH-SRZZPIQSSA-N 0 0 362.414 3.899 50 30 FHEARN N#Cc1cccc(Cn2cc([N+](=O)[O-])c(-c3cnn(-c4ccccc4)c3)n2)c1 ZINC000020530673 526713415 /nfs/dbraw/zinc/71/34/15/526713415.db2.gz VFTPRECGEQJJOL-UHFFFAOYSA-N 0 0 370.372 3.564 50 30 FHEARN NC(=O)COc1cccc(CON=C2c3ccccc3-c3ccccc32)c1 ZINC000063886886 526896526 /nfs/dbraw/zinc/89/65/26/526896526.db2.gz FARWEMHEFPTTEX-UHFFFAOYSA-N 0 0 358.397 3.500 50 30 FHEARN O=C(/C=C\c1ccc(OCCO)cc1Br)c1ccc(F)cc1 ZINC000096931561 527656376 /nfs/dbraw/zinc/65/63/76/527656376.db2.gz QALQQWJWBRQVLN-YWEYNIOJSA-N 0 0 365.198 3.855 50 30 FHEARN CN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000058292501 536465143 /nfs/dbraw/zinc/46/51/43/536465143.db2.gz NIHHTGOUFREWDM-UHFFFAOYSA-N 0 0 362.477 3.890 50 30 FHEARN COc1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000001189959 536613719 /nfs/dbraw/zinc/61/37/19/536613719.db2.gz AFDKAGABVFBRLL-KGENOOAVSA-N 0 0 359.857 3.513 50 30 FHEARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)Nc1sccc1C#N ZINC000024829615 568159356 /nfs/dbraw/zinc/15/93/56/568159356.db2.gz GWRINHUQZCLAMJ-SECBINFHSA-N 0 0 374.422 3.928 50 30 FHEARN COc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 ZINC000000784682 568224551 /nfs/dbraw/zinc/22/45/51/568224551.db2.gz UVPNLWBTUMDWCE-UHFFFAOYSA-N 0 0 356.447 3.915 50 30 FHEARN NC(=S)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000000636714 570441871 /nfs/dbraw/zinc/44/18/71/570441871.db2.gz PVRZIJHIKMTSQL-UFWORHAWSA-N 0 0 354.262 3.740 50 30 FHEARN CSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 ZINC000000959811 570466884 /nfs/dbraw/zinc/46/68/84/570466884.db2.gz RJOSZZNTNIZXIU-CYBMUJFWSA-N 0 0 373.865 3.710 50 30 FHEARN FC1(F)Oc2cccc(/C=N/N=C/c3cccc4c3OC(F)(F)O4)c2O1 ZINC000096171560 570478615 /nfs/dbraw/zinc/47/86/15/570478615.db2.gz CEOVSVLUHVLVCE-KVJLFNRQSA-N 0 0 368.242 3.783 50 30 FHEARN CC(C)(C)c1ccc(S(=O)(=O)/N=C2\C=CC(=O)c3ccccc32)cc1 ZINC000001201030 570491903 /nfs/dbraw/zinc/49/19/03/570491903.db2.gz ZCQYDGRCIZDWMV-DYTRJAOYSA-N 0 0 353.443 3.915 50 30 FHEARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000001421887 570499165 /nfs/dbraw/zinc/49/91/65/570499165.db2.gz ZKIDLZUXOXQDTH-OAHLLOKOSA-N 0 0 362.355 3.955 50 30 FHEARN O=[N+]([O-])c1cc(/C=N/NC(=S)Nc2ccc(F)cc2)ccc1Cl ZINC000001698957 570504781 /nfs/dbraw/zinc/50/47/81/570504781.db2.gz XTDGICKUDBZVCK-CAOOACKPSA-N 0 0 352.778 3.708 50 30 FHEARN CCNc1ncc(-c2cc(-c3c[nH]c4ccccc43)nc(N)c2C#N)cn1 ZINC000071754563 570511697 /nfs/dbraw/zinc/51/16/97/570511697.db2.gz YDQAOTLXQFIRHM-UHFFFAOYSA-N 0 0 355.405 3.573 50 30 FHEARN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000014186639 570518314 /nfs/dbraw/zinc/51/83/14/570518314.db2.gz WHDCPPVKWQVRHF-CMPLNLGQSA-N 0 0 359.779 3.813 50 30 FHEARN CCOC(=O)C1=C(c2ccccc2)NC(=S)C(C#N)[C@H]1c1ccccc1 ZINC000003883680 570570306 /nfs/dbraw/zinc/57/03/06/570570306.db2.gz PZWSRGFTFGHOTK-IAGOWNOFSA-N 0 0 362.454 3.815 50 30 FHEARN c1csc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)c1 ZINC000005091987 570583744 /nfs/dbraw/zinc/58/37/44/570583744.db2.gz RFPZWGLFBFDHNL-CPNJWEJPSA-N 0 0 365.466 3.723 50 30 FHEARN Cc1ccc(C2=NNC(=O)[C@H](c3cn(CCC#N)c4ccccc34)C2)cc1 ZINC000005027850 570618732 /nfs/dbraw/zinc/61/87/32/570618732.db2.gz ROJHCILPOWFCJG-SFHVURJKSA-N 0 0 356.429 3.871 50 30 FHEARN COc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccccc3)CC2=Nc2ncnn21 ZINC000005306496 570646598 /nfs/dbraw/zinc/64/65/98/570646598.db2.gz OCYJNRBKNOXALJ-QVKFZJNVSA-N 0 0 372.428 3.702 50 30 FHEARN COc1cccc(/C=C2/Oc3c(cc4c(c3C)OCN(C3CC3)C4)C2=O)c1 ZINC000062001279 570647812 /nfs/dbraw/zinc/64/78/12/570647812.db2.gz YNBUSWJCQVHMAV-DJKKODMXSA-N 0 0 363.413 3.934 50 30 FHEARN COc1cc2c(cc1OC)CCN(C)C(C(=O)c1c[nH]c3ccccc13)=C2 ZINC000062001476 570647822 /nfs/dbraw/zinc/64/78/22/570647822.db2.gz XSOGOONZJUPNFF-UHFFFAOYSA-N 0 0 362.429 3.897 50 30 FHEARN CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=S)[C@H]2c1ccccc1Cl ZINC000136339628 570649227 /nfs/dbraw/zinc/64/92/27/570649227.db2.gz INCDWOOKRFOGJP-ZDUSSCGKSA-N 0 0 362.882 3.553 50 30 FHEARN CC[C@H](C(=O)C=C1NCCc2cc(OC)c(OC)cc21)c1ccccc1 ZINC000005429088 570655054 /nfs/dbraw/zinc/65/50/54/570655054.db2.gz QQFLSAGZQBEUBL-FJSNCCPHSA-N 0 0 351.446 3.953 50 30 biogenic FHEARN CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1cccs1 ZINC000003351311 570661269 /nfs/dbraw/zinc/66/12/69/570661269.db2.gz KQUHTIWVOXFHHG-UHFFFAOYSA-N 0 0 369.475 3.629 50 30 FHEARN CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2OC(F)F)NC(=O)N1 ZINC000005504613 570664312 /nfs/dbraw/zinc/66/43/12/570664312.db2.gz ZVRMCTQEUNROMA-MRXNPFEDSA-N 0 0 358.344 3.799 50 30 FHEARN C=C(C)CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CC[C@H](C)C3 ZINC000005556932 570671874 /nfs/dbraw/zinc/67/18/74/570671874.db2.gz YNAJZMLCYSHVJK-JTQLQIEISA-N 0 0 370.507 3.683 50 30 FHEARN Cc1c(F)cc(C#N)cc1NC(=O)N(Cc1cccnc1)C[C@H]1CCCO1 ZINC000062579965 570681304 /nfs/dbraw/zinc/68/13/04/570681304.db2.gz ORCGUTMAICHJSW-QGZVFWFLSA-N 0 0 368.412 3.614 50 30 FHEARN CNc1ccc(Br)cc(C(=O)/C=C\c2ccccc2OC)c1=O ZINC000097474784 570688164 /nfs/dbraw/zinc/68/81/64/570688164.db2.gz WZQBBYZJWVEGAY-YFHOEESVSA-N 0 0 374.234 3.756 50 30 FHEARN Cc1nc(C2=C(N)N(Cc3ccc(Cl)cc3Cl)CC2=O)sc1C ZINC000013691505 570785365 /nfs/dbraw/zinc/78/53/65/570785365.db2.gz ICWGAKUQZZRIFL-UHFFFAOYSA-N 0 0 368.289 3.779 50 30 FHEARN N#Cc1ccc(OCCCCN2C(=O)c3ccccc3C2=O)c(Cl)c1 ZINC000032747386 570792471 /nfs/dbraw/zinc/79/24/71/570792471.db2.gz YQBLVVKEVVIFLA-UHFFFAOYSA-N 0 0 354.793 3.667 50 30 FHEARN C=CCn1c2ccccc2nc1SCc1cc(=O)n2ccsc2n1 ZINC000004485619 570797448 /nfs/dbraw/zinc/79/74/48/570797448.db2.gz BFGATNRMQRPZJE-UHFFFAOYSA-N 0 0 354.460 3.584 50 30 FHEARN C=CCOc1ccc([C@@H]2CC(=O)Oc3c4ccccc4n(C)c(=O)c32)cc1 ZINC000004519874 570813056 /nfs/dbraw/zinc/81/30/56/570813056.db2.gz VZNDDOFFJZNSOE-KRWDZBQOSA-N 0 0 361.397 3.544 50 30 FHEARN O=c1[nH][nH]c2c1[C@@H](c1cccnc1)C1=C(C[C@H](c3cccs3)CC1=O)N2 ZINC000018196567 570814670 /nfs/dbraw/zinc/81/46/70/570814670.db2.gz YOIXQZVDIRDSSA-NHYWBVRUSA-N 0 0 364.430 3.530 50 30 FHEARN CC(C)C[NH+]=Cc1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F ZINC000101390098 570819652 /nfs/dbraw/zinc/81/96/52/570819652.db2.gz NWWONWKVIULFNP-ZBKNUEDVSA-N 0 0 368.384 3.869 50 30 FHEARN CCCOc1ccc(N/N=C2\Sc3nc4ccccc4n3C2=O)cc1 ZINC000101640675 570821979 /nfs/dbraw/zinc/82/19/79/570821979.db2.gz OXQPAJRZYKBJKY-PGMHBOJBSA-N 0 0 352.419 3.997 50 30 FHEARN N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cc2c(ccc3ccccc23)[nH]1 ZINC000102387434 570831364 /nfs/dbraw/zinc/83/13/64/570831364.db2.gz IDHIIVYXGXCARA-INIZCTEOSA-N 0 0 354.369 3.677 50 30 FHEARN COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)cc1 ZINC000015723722 570843069 /nfs/dbraw/zinc/84/30/69/570843069.db2.gz FVZRWFFFQHNCRW-ATVHPVEESA-N 0 0 353.447 3.653 50 30 FHEARN O=[N+]([O-])c1ccc(N=NC(c2ccccc2)c2ccncc2)c([N+](=O)[O-])c1 ZINC000016134259 570851204 /nfs/dbraw/zinc/85/12/04/570851204.db2.gz LKNJVUDQSMKNJL-DYTRJAOYSA-N 0 0 363.333 3.763 50 30 FHEARN CCOc1ccc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC ZINC000016692814 570860529 /nfs/dbraw/zinc/86/05/29/570860529.db2.gz CWOLZUXJABFFPJ-HYARGMPZSA-N 0 0 365.433 3.642 50 30 FHEARN C[C@H]1Cc2ccccc2N1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000105572677 570873471 /nfs/dbraw/zinc/87/34/71/570873471.db2.gz LEENUWDLILAWHQ-YOEHRIQHSA-N 0 0 354.413 3.675 50 30 FHEARN CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000018175781 570876007 /nfs/dbraw/zinc/87/60/07/570876007.db2.gz SKXBCFPTJYNHPD-AWEZNQCLSA-N 0 0 367.474 3.692 50 30 FHEARN C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc3c(cccc3F)s2)c1 ZINC000047194735 570882146 /nfs/dbraw/zinc/88/21/46/570882146.db2.gz WNAURRSYDFPBLX-UHFFFAOYSA-N 0 0 366.417 3.732 50 30 FHEARN C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(SC(F)F)cc2)c1 ZINC000047194870 570882150 /nfs/dbraw/zinc/88/21/50/570882150.db2.gz FXDVUNMKTFVMFD-UHFFFAOYSA-N 0 0 374.412 3.693 50 30 FHEARN COC(=O)c1ccc(C(=O)OC)c(NC=CC(=O)c2ccc(C)c(C)c2)c1 ZINC000044844018 570901542 /nfs/dbraw/zinc/90/15/42/570901542.db2.gz XBZOZOSBMFAKHN-MDZDMXLPSA-N 0 0 367.401 3.685 50 30 FHEARN CCOc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)cc1 ZINC000019849400 570904984 /nfs/dbraw/zinc/90/49/84/570904984.db2.gz VLRHMUSQPRNDPO-XQNSMLJCSA-N 0 0 351.494 3.854 50 30 FHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccn1 ZINC000019854745 570904986 /nfs/dbraw/zinc/90/49/86/570904986.db2.gz IAAIUGODCUHJCO-LJQANCHMSA-N 0 0 354.450 3.639 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1C(F)(F)F ZINC000019990468 570908168 /nfs/dbraw/zinc/90/81/68/570908168.db2.gz XTFOJEIEYGQEGL-INIZCTEOSA-N 0 0 365.351 3.846 50 30 FHEARN Cc1ccc(CN(C)C(=O)NCCSCc2ccccc2C#N)cc1 ZINC000045572726 570909320 /nfs/dbraw/zinc/90/93/20/570909320.db2.gz MUUOJKGOTMQOFB-UHFFFAOYSA-N 0 0 353.491 3.942 50 30 FHEARN Cc1ccccc1C(=O)N/C(=N/c1ccc(F)cc1)NCc1ccncc1 ZINC000045940188 570915194 /nfs/dbraw/zinc/91/51/94/570915194.db2.gz CAILGZRNRMMRCU-UHFFFAOYSA-N 0 0 362.408 3.736 50 30 FHEARN O=C(N/C(=N/c1cccc(Cl)c1)NCc1ccncc1)c1ccccc1 ZINC000045940007 570915234 /nfs/dbraw/zinc/91/52/34/570915234.db2.gz KRCNCOBMIICXSX-UHFFFAOYSA-N 0 0 364.836 3.942 50 30 FHEARN Cc1ccc(NC(=NC(=O)c2ccc(F)cc2)NCc2ccccn2)cc1 ZINC000046125771 570926730 /nfs/dbraw/zinc/92/67/30/570926730.db2.gz GAESGTJYRIUWBN-UHFFFAOYSA-N 0 0 362.408 3.927 50 30 FHEARN COc1cccc(C(=O)N=C(NCc2cccnc2)Nc2ccc(C)cc2)c1 ZINC000046127626 570927087 /nfs/dbraw/zinc/92/70/87/570927087.db2.gz PVRKFBCRKRNTIK-UHFFFAOYSA-N 0 0 374.444 3.797 50 30 FHEARN COc1cc(/C=C2\CCOc3ccc(F)cc3C2=O)cc(OC)c1OC ZINC000023053543 570955112 /nfs/dbraw/zinc/95/51/12/570955112.db2.gz DYZZCADFYZAISM-MDWZMJQESA-N 0 0 358.365 3.900 50 30 FHEARN C=C(Br)CSc1nnc([C@@H]2COc3ccccc3O2)o1 ZINC000048834186 570960116 /nfs/dbraw/zinc/96/01/16/570960116.db2.gz GBIJIAZNYSADSH-NSHDSACASA-N 0 0 355.213 3.583 50 30 FHEARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3cccc(C#N)c3)c12 ZINC000014898876 570966899 /nfs/dbraw/zinc/96/68/99/570966899.db2.gz FMFDTVFROQGKPX-UHFFFAOYSA-N 0 0 357.373 3.661 50 30 FHEARN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)COc1ccc(C#N)cc1 ZINC000010962443 570985570 /nfs/dbraw/zinc/98/55/70/570985570.db2.gz ZMQOETSQWDGAPY-UHFFFAOYSA-N 0 0 363.461 3.586 50 30 FHEARN CC(=O)Nc1cccc(/N=C2\NN=C(c3c[nH]c4ccccc43)CS2)c1 ZINC000026144979 571003097 /nfs/dbraw/zinc/00/30/97/571003097.db2.gz MEHIUKUNRXGNFS-UHFFFAOYSA-N 0 0 363.446 3.855 50 30 FHEARN N#Cc1ccc2c(Cl)c(S(=O)(=O)c3ccc(F)c(F)c3)cnc2c1 ZINC000263617081 571046841 /nfs/dbraw/zinc/04/68/41/571046841.db2.gz LZKVNROTGGQFKL-UHFFFAOYSA-N 0 0 364.760 3.871 50 30 FHEARN C#CCOc1ccccc1CNC(=O)Nc1ccnn1C1CCCCC1 ZINC000072285296 571053038 /nfs/dbraw/zinc/05/30/38/571053038.db2.gz CLIXQUUXAOPQNR-UHFFFAOYSA-N 0 0 352.438 3.722 50 30 FHEARN Cc1cc(Cn2ccnc2-c2cc(C#CCO)cs2)c(C(F)(F)F)o1 ZINC000072447083 571053630 /nfs/dbraw/zinc/05/36/30/571053630.db2.gz VPKGZCHOACENFD-UHFFFAOYSA-N 0 0 366.364 3.924 50 30 FHEARN C=CCOc1ccc(C(=O)N(Cc2cncs2)C2CC2)cc1OCC ZINC000055252605 571058726 /nfs/dbraw/zinc/05/87/26/571058726.db2.gz LOAMTMOBQLOHRY-UHFFFAOYSA-N 0 0 358.463 3.911 50 30 FHEARN C[C@@H](c1nc2ccccc2[nH]1)n1cc(-c2ccc(C#CC(C)(C)O)cc2)nn1 ZINC000091745344 571063058 /nfs/dbraw/zinc/06/30/58/571063058.db2.gz NDFWKLFLKDYDFT-HNNXBMFYSA-N 0 0 371.444 3.553 50 30 FHEARN C=C(Br)CNC(=O)c1cc(-c2ccccc2)nc2onc(C)c21 ZINC000058419278 571063069 /nfs/dbraw/zinc/06/30/69/571063069.db2.gz RFTCYSKQJRSRLH-UHFFFAOYSA-N 0 0 372.222 3.837 50 30 FHEARN CCc1cccc(NC(=NC(=O)c2ccc(F)cc2)NC[C@@H]2CCCO2)c1 ZINC000046130770 571064806 /nfs/dbraw/zinc/06/48/06/571064806.db2.gz KWRNIWJOENTCDK-IBGZPJMESA-N 0 0 369.440 3.765 50 30 FHEARN CCN1C(=O)/C(=C\c2cn(CCC#N)nc2-c2ccccc2)SC1=S ZINC000005049960 571072787 /nfs/dbraw/zinc/07/27/87/571072787.db2.gz GRTPEWWGHMAKMI-RVDMUPIBSA-N 0 0 368.487 3.685 50 30 FHEARN CCCN(CC#Cc1ccccc1)C(=O)Cn1c(=O)cc(C)c2ccccc21 ZINC000065386335 571073859 /nfs/dbraw/zinc/07/38/59/571073859.db2.gz UQQIGBKPYUUBTN-UHFFFAOYSA-N 0 0 372.468 3.600 50 30 FHEARN CCOc1cc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)ccc1O ZINC000252320578 571075018 /nfs/dbraw/zinc/07/50/18/571075018.db2.gz AIRSOJITXLPOPG-UHFFFAOYSA-N 0 0 367.493 3.559 50 30 FHEARN C[C@@H](NCC(=O)Nc1sccc1C#N)c1ccccc1Br ZINC000012750351 571075603 /nfs/dbraw/zinc/07/56/03/571075603.db2.gz RHVTYGYYOOPVTA-SNVBAGLBSA-N 0 0 364.268 3.672 50 30 FHEARN O=C(NNc1cc([N+](=O)[O-])ccc1Br)c1conc1C1CC1 ZINC000328591582 571083241 /nfs/dbraw/zinc/08/32/41/571083241.db2.gz WZVQAIIJSJBYEO-UHFFFAOYSA-N 0 0 367.159 3.554 50 30 FHEARN CC(C)N(C)c1ccc(N[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1F ZINC000084597186 571091290 /nfs/dbraw/zinc/09/12/90/571091290.db2.gz NJYFZOFQSLKIST-HNNXBMFYSA-N 0 0 360.477 3.813 50 30 FHEARN COC(=O)CC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000000848180 571093157 /nfs/dbraw/zinc/09/31/57/571093157.db2.gz LWPKPORCUZIXBB-UHFFFAOYSA-N 0 0 371.396 3.789 50 30 FHEARN CN(C)C(=O)Oc1ccc2c(c1)O/C(=C/c1cn(C)c3ccccc13)C2=O ZINC000009422185 571108719 /nfs/dbraw/zinc/10/87/19/571108719.db2.gz ZXSDODVVRVGYNY-VXLYETTFSA-N 0 0 362.385 3.855 50 30 FHEARN C=CCN(C(=O)c1ccccn1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1 ZINC000009450700 571109627 /nfs/dbraw/zinc/10/96/27/571109627.db2.gz PXXUYRJCVUMSHC-UHFFFAOYSA-N 0 0 366.402 3.946 50 30 FHEARN C=CCn1c(=O)c2sccc2nc1Sc1ncnc2sccc21 ZINC000008745849 571112495 /nfs/dbraw/zinc/11/24/95/571112495.db2.gz KHNYNKHCHJBXJB-UHFFFAOYSA-N 0 0 358.473 3.800 50 30 FHEARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@H]2c2ccc(OC(F)F)cc2)C1 ZINC000001460556 571114845 /nfs/dbraw/zinc/11/48/45/571114845.db2.gz MMEFKIBXRKWHSL-HNNXBMFYSA-N 0 0 360.364 3.538 50 30 FHEARN CC#CC(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3cccc(C)c3)c2)C1 ZINC000012314524 571117963 /nfs/dbraw/zinc/11/79/63/571117963.db2.gz PBLXDEILEVXURZ-FQEVSTJZSA-N 0 0 360.457 3.862 50 30 FHEARN C=CCN1C(=O)/C(=C\c2cc(Br)ccc2F)SC1=S ZINC000012343658 571117993 /nfs/dbraw/zinc/11/79/93/571117993.db2.gz STHAXCHNLGQEFL-YRNVUSSQSA-N 0 0 358.257 3.975 50 30 FHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=S)NC1CCCCC1 ZINC000012654201 571118241 /nfs/dbraw/zinc/11/82/41/571118241.db2.gz YKQNZOJPXCMVOS-UHFFFAOYSA-N 0 0 356.495 3.932 50 30 FHEARN Cc1oc2ncnc(N3CCCCC3)c2c1C(=O)Nc1ccccc1C#N ZINC000009777170 571118927 /nfs/dbraw/zinc/11/89/27/571118927.db2.gz IDJLGFYQQQICPF-UHFFFAOYSA-N 0 0 361.405 3.646 50 30 FHEARN C=CCN(CC=C)C(=O)c1cc(-c2ccc(C)s2)cc(-n2cnnn2)c1 ZINC000014999463 571121579 /nfs/dbraw/zinc/12/15/79/571121579.db2.gz AGJGJFPLLYGMOF-UHFFFAOYSA-N 0 0 365.462 3.513 50 30 FHEARN CCOc1ccc2sc(NC(=O)CSc3ncccc3C#N)nc2c1 ZINC000071326953 571121666 /nfs/dbraw/zinc/12/16/66/571121666.db2.gz FZTYTZPZXRDLBY-UHFFFAOYSA-N 0 0 370.459 3.692 50 30 FHEARN C=CCSc1ccccc1NC(=O)CCn1cnc2sccc2c1=O ZINC000010037060 571122315 /nfs/dbraw/zinc/12/23/15/571122315.db2.gz AQMJOYXBCAJPNZ-UHFFFAOYSA-N 0 0 371.487 3.765 50 30 FHEARN C=CCN1C(=O)N/C(=C\c2ccc(-c3cccc(Br)c3)o2)C1=O ZINC000016996293 571122655 /nfs/dbraw/zinc/12/26/55/571122655.db2.gz XMAJTCDEXDLHMC-UVTDQMKNSA-N 0 0 373.206 3.788 50 30 FHEARN C[C@@H](NC(=S)Nc1ccccc1)[C@@H](c1cccs1)N1CCOCC1 ZINC000013878785 571122687 /nfs/dbraw/zinc/12/26/87/571122687.db2.gz YALMUZHUZWPMBX-PBHICJAKSA-N 0 0 361.536 3.908 50 30 FHEARN C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C(C)=O)nnc1C1CC1 ZINC000016726378 571122690 /nfs/dbraw/zinc/12/26/90/571122690.db2.gz PFQQNWGTJBDJQH-CYBMUJFWSA-N 0 0 370.478 3.663 50 30 FHEARN C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O ZINC000001146526 571123664 /nfs/dbraw/zinc/12/36/64/571123664.db2.gz XDUROADKDSGTDV-LDADJPATSA-N 0 0 366.442 3.772 50 30 FHEARN Cn1cc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccncc2)cn1 ZINC000058192191 571128078 /nfs/dbraw/zinc/12/80/78/571128078.db2.gz KWBHSPYIFKFNGJ-BQYQJAHWSA-N 0 0 355.401 3.564 50 30 FHEARN C[C@H](C#N)CN(C)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 ZINC000058356289 571131313 /nfs/dbraw/zinc/13/13/13/571131313.db2.gz NPAJQTPPVTUXNI-CQSZACIVSA-N 0 0 367.405 3.618 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1nc(C)cs1 ZINC000025695172 571132685 /nfs/dbraw/zinc/13/26/85/571132685.db2.gz KNARYBUGTLPSNR-INIZCTEOSA-N 0 0 360.479 3.619 50 30 FHEARN Cc1ccc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CCC3)cc1 ZINC000015834575 571133034 /nfs/dbraw/zinc/13/30/34/571133034.db2.gz WMIRWCGIKVIPTN-UHFFFAOYSA-N 0 0 351.431 3.512 50 30 FHEARN N#Cc1cc2c(nc1SCC(=O)Nc1cccc(Cl)c1)CCCC2=O ZINC000015834560 571133051 /nfs/dbraw/zinc/13/30/51/571133051.db2.gz LFSSNBBBVZITFQ-UHFFFAOYSA-N 0 0 371.849 3.856 50 30 FHEARN COc1ccc(/C=N/n2cnnc2SCc2ccc(C)cc2)c(OC)c1 ZINC000000940375 571135189 /nfs/dbraw/zinc/13/51/89/571135189.db2.gz OJKPQWWPKQTYAG-SRZZPIQSSA-N 0 0 368.462 3.778 50 30 FHEARN C=CCn1c2ccc(NC(=O)c3ccccc3OCC)cc2sc1=O ZINC000015865077 571139559 /nfs/dbraw/zinc/13/95/59/571139559.db2.gz JYKTYRRTWAOWLI-UHFFFAOYSA-N 0 0 354.431 3.900 50 30 FHEARN N#Cc1c(C#N)c(N2CCOCC2)nc2c1CCCCCCCCCC2 ZINC000015107849 571140055 /nfs/dbraw/zinc/14/00/55/571140055.db2.gz WSWAHRMCOPFWCQ-UHFFFAOYSA-N 0 0 352.482 3.881 50 30 FHEARN O=C(c1cccs1)C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccccc1 ZINC000000974345 571140901 /nfs/dbraw/zinc/14/09/01/571140901.db2.gz IPFSJOZBWTZJFN-QGZVFWFLSA-N 0 0 362.410 3.926 50 30 FHEARN N#Cc1ccccc1N1CCCN(c2ccc([N+](=O)[O-])c3cccnc32)CC1 ZINC000052189469 571140920 /nfs/dbraw/zinc/14/09/20/571140920.db2.gz RRURLLDERSZKBE-UHFFFAOYSA-N 0 0 373.416 3.731 50 30 FHEARN Cc1nn(C)c(C)c1-c1cc(-c2ccc(O)cc2Cl)c(C#N)c(N)n1 ZINC000071614973 571140921 /nfs/dbraw/zinc/14/09/21/571140921.db2.gz NMNMYZRTJQORTJ-UHFFFAOYSA-N 0 0 353.813 3.579 50 30 FHEARN COc1nc(N)c2c(c1C#N)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccccc1 ZINC000078547427 571141541 /nfs/dbraw/zinc/14/15/41/571141541.db2.gz SEXYPGWFFSDXDX-INIZCTEOSA-N 0 0 374.444 3.745 50 30 FHEARN CCOC(=O)c1sc(NC(=O)c2ccccc2OCC)c(C#N)c1C ZINC000000994638 571141804 /nfs/dbraw/zinc/14/18/04/571141804.db2.gz VNKDNPNPJWVFTF-UHFFFAOYSA-N 0 0 358.419 3.756 50 30 FHEARN CC(C)c1nccn1[C@@H](C)C(=O)N1CCC(C#N)(c2ccccc2)CC1 ZINC000065397528 571142886 /nfs/dbraw/zinc/14/28/86/571142886.db2.gz JEHBVYGDBAMWCU-KRWDZBQOSA-N 0 0 350.466 3.651 50 30 FHEARN CC(C)Cc1ccc(-c2cnc(CCC(=O)N=C3NCCS3)o2)cc1 ZINC000012916688 571144453 /nfs/dbraw/zinc/14/44/53/571144453.db2.gz WVKLNOMCZIQAGB-UHFFFAOYSA-N 0 0 357.479 3.692 50 30 FHEARN CC(C)Oc1ccc(/C=C2\C(=O)ON=C2c2cccc([N+](=O)[O-])c2)cc1 ZINC000075274075 571158830 /nfs/dbraw/zinc/15/88/30/571158830.db2.gz DSVUJOCXRAHGPP-YVLHZVERSA-N 0 0 352.346 3.727 50 30 FHEARN CCc1c(C)sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1C#N ZINC000001200004 571165569 /nfs/dbraw/zinc/16/55/69/571165569.db2.gz IIRNTOBYCKUDTR-UHFFFAOYSA-N 0 0 360.435 3.769 50 30 FHEARN CCc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(O)c(OC)c3)S2)cc1 ZINC000035043443 571171226 /nfs/dbraw/zinc/17/12/26/571171226.db2.gz SBQLREBHPANEHR-GZTJUZNOSA-N 0 0 354.431 3.855 50 30 FHEARN N#Cc1c(NC(=S)NC(=O)c2ccco2)sc2c1CCCCCC2 ZINC000003900126 571171439 /nfs/dbraw/zinc/17/14/39/571171439.db2.gz FYJSSXZPCOWMAI-UHFFFAOYSA-N 0 0 359.476 3.999 50 30 FHEARN O=C1Nc2ccccc2C(=O)C1=CNc1ccc(Cc2ccncc2)cc1 ZINC000207481982 571174599 /nfs/dbraw/zinc/17/45/99/571174599.db2.gz UKXWDHYBOZDTFG-RGEXLXHISA-N 0 0 355.397 3.803 50 30 FHEARN C=CCn1c(COc2cccc(C)c2)nnc1Sc1ncccc1C#N ZINC000012526992 571174615 /nfs/dbraw/zinc/17/46/15/571174615.db2.gz QTOYBRLZSGBVSU-UHFFFAOYSA-N 0 0 363.446 3.769 50 30 FHEARN COc1cc(C=Nc2ccc(Cl)c(Cl)c2)ccc1OCC(N)=O ZINC000252460498 571189825 /nfs/dbraw/zinc/18/98/25/571189825.db2.gz FWZMPPCFGSYJFG-UHFFFAOYSA-N 0 0 353.205 3.617 50 30 FHEARN C[C@@]12OC(=N)[C@@](C#N)([C@@H]1c1ccccc1)C(C#N)(C#N)[C@@H](c1ccccc1)O2 ZINC000139099065 571195293 /nfs/dbraw/zinc/19/52/93/571195293.db2.gz SECSTAJUVLINRG-RMEPHLEKSA-N 0 0 368.396 3.809 50 30 FHEARN Cc1ccccc1C(=O)Nc1nnc(/N=C/c2ccc([N+](=O)[O-])s2)s1 ZINC000001951538 571202925 /nfs/dbraw/zinc/20/29/25/571202925.db2.gz BFXJKYABSYUGRH-LZYBPNLTSA-N 0 0 373.419 3.819 50 30 FHEARN Cc1oc2cc(OCC#N)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 ZINC000001748637 571203675 /nfs/dbraw/zinc/20/36/75/571203675.db2.gz JUMNLWSMUHSZSN-UHFFFAOYSA-N 0 0 363.369 3.832 50 30 biogenic FHEARN Cc1ccccc1S(=O)(=O)/N=C1\C=C(Cl)C(=O)C(Cl)=C1Cl ZINC000016666497 571210369 /nfs/dbraw/zinc/21/03/69/571210369.db2.gz YRYGRCLBCZQFHJ-RQZCQDPDSA-N 0 0 364.637 3.519 50 30 FHEARN O=[N+]([O-])c1ccc(/C=N/c2ccccc2I)cc1 ZINC000086040469 571234227 /nfs/dbraw/zinc/23/42/27/571234227.db2.gz PWJVCDHQZPKKJA-OQLLNIDSSA-N 0 0 352.131 3.950 50 30 FHEARN C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3ccccc3n2CCC#N)C1 ZINC000006648810 571239122 /nfs/dbraw/zinc/23/91/22/571239122.db2.gz CLANNKVTZCMZTB-GJZGRUSLSA-N 0 0 356.495 3.547 50 30 FHEARN Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccccn1)C1=C(CCCC1=O)N2 ZINC000013123207 571258314 /nfs/dbraw/zinc/25/83/14/571258314.db2.gz JYLGEDWTRUFIDN-HXUWFJFHSA-N 0 0 357.417 3.535 50 30 FHEARN Cc1occc1-c1nnc(S[C@H](C)C(=O)N(C)C2(C#N)CCCCC2)o1 ZINC000007166993 571262638 /nfs/dbraw/zinc/26/26/38/571262638.db2.gz GZDFWTMPYCTMRR-CYBMUJFWSA-N 0 0 374.466 3.804 50 30 FHEARN COc1ccccc1OCC(=O)Nc1ccccc1SC[C@H](C)C#N ZINC000065453439 571263477 /nfs/dbraw/zinc/26/34/77/571263477.db2.gz CYROFGLYZLWCTH-CQSZACIVSA-N 0 0 356.447 3.964 50 30 FHEARN Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Cc3ccccc3F)o2)cc1 ZINC000170623825 571269297 /nfs/dbraw/zinc/26/92/97/571269297.db2.gz JCSOTUPZYDJORX-UHFFFAOYSA-N 0 0 356.378 3.635 50 30 FHEARN COc1ccccc1/C=N/N=C1\S[C@H](C)C(=O)N1Cc1ccccc1C ZINC000013582702 571271254 /nfs/dbraw/zinc/27/12/54/571271254.db2.gz HFQHTMUNHGXRQL-MYAASBOSSA-N 0 0 367.474 3.858 50 30 FHEARN Cc1cc(NC(=O)c2ccc(C#N)cc2)n(-c2nc3ccccc3s2)n1 ZINC000016850994 571273353 /nfs/dbraw/zinc/27/33/53/571273353.db2.gz KRRPOLBDEIUNMF-UHFFFAOYSA-N 0 0 359.414 3.914 50 30 FHEARN Cc1cc(C)n(N=Cc2ccccc2OCc2ccccc2)c(=O)c1C#N ZINC000252461938 571279011 /nfs/dbraw/zinc/27/90/11/571279011.db2.gz OKPAUHDEFYFYDQ-UHFFFAOYSA-N 0 0 357.413 3.798 50 30 FHEARN COC(=O)N1CCC(=NN=C(C(=O)c2ccccc2)c2ccccc2)CC1 ZINC000252475315 571279643 /nfs/dbraw/zinc/27/96/43/571279643.db2.gz YDWQCTOUTPPFOI-UHFFFAOYSA-N 0 0 363.417 3.577 50 30 FHEARN CCc1nsc(N2CCCN([C@@H](C#N)c3ccc(Cl)cc3)CC2)n1 ZINC000252484129 571280276 /nfs/dbraw/zinc/28/02/76/571280276.db2.gz FPDUQWHWSARHBU-HNNXBMFYSA-N 0 0 361.902 3.531 50 30 FHEARN CCOC(=O)COc1ccc(C=NNc2ccc(Cl)cc2)cc1OC ZINC000252590562 571283775 /nfs/dbraw/zinc/28/37/75/571283775.db2.gz ATHUIEZIHAKAIZ-UHFFFAOYSA-N 0 0 362.813 3.737 50 30 FHEARN N#Cc1nc(COc2ccc(Br)cc2)oc1N1CCCCC1 ZINC000002201573 571283987 /nfs/dbraw/zinc/28/39/87/571283987.db2.gz RMCUIMXRIMVFAA-UHFFFAOYSA-N 0 0 362.227 3.878 50 30 FHEARN COc1ccc(N=C2S/C(=C\c3ccc(O)c(OC)c3)C(=O)N2C)cc1 ZINC000252595058 571284494 /nfs/dbraw/zinc/28/44/94/571284494.db2.gz BYDALXQNCNENDF-JWZKOSBISA-N 0 0 370.430 3.643 50 30 FHEARN Cc1cc(N2CCCC2)ccc1C=NNC(=S)NCc1ccccc1 ZINC000252605339 571284866 /nfs/dbraw/zinc/28/48/66/571284866.db2.gz GIWLFCCLEJGWDR-UHFFFAOYSA-N 0 0 352.507 3.593 50 30 FHEARN C=CCn1c(N)c(C(=O)NCCCCCC)c2nc3ccccc3nc21 ZINC000002223205 571289982 /nfs/dbraw/zinc/28/99/82/571289982.db2.gz VUHUATWKQLMDEN-UHFFFAOYSA-N 0 0 351.454 3.663 50 30 FHEARN c1ccc([C@H]2O[C@]23CCC[C@]2(O[C@H]2c2ccccc2)C32OCCO2)cc1 ZINC000101093015 571309156 /nfs/dbraw/zinc/30/91/56/571309156.db2.gz PWNONDAOOROMHQ-PLACYPQZSA-N 0 0 350.414 3.934 50 30 FHEARN CC1(C)CC2=C(C(=O)C1)[C@](O)(C(F)(F)F)C(=O)N2c1ccc(Cl)cc1 ZINC000002349042 571318488 /nfs/dbraw/zinc/31/84/88/571318488.db2.gz ZHXQVNCDKHMMON-MRXNPFEDSA-N 0 0 373.758 3.623 50 30 FHEARN COc1nccc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)c1C#N ZINC000072434417 571319172 /nfs/dbraw/zinc/31/91/72/571319172.db2.gz BUZRZSRYAHKGHR-UHFFFAOYSA-N 0 0 356.389 3.512 50 30 FHEARN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1sc(C)c(C)c1C#N ZINC000002408113 571321465 /nfs/dbraw/zinc/32/14/65/571321465.db2.gz JEAGREDTHDLLEI-NSIKDUERSA-N 0 0 357.460 3.968 50 30 FHEARN C=CCn1cnc2c(c3nc4ccccc4nc3n2-c2cccc(F)c2)c1=O ZINC000002407546 571321471 /nfs/dbraw/zinc/32/14/71/571321471.db2.gz XZGPEMLOEYIKMY-UHFFFAOYSA-N 0 0 371.375 3.609 50 30 FHEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(N)n2)c(OC)c1OC ZINC000067947194 571321896 /nfs/dbraw/zinc/32/18/96/571321896.db2.gz HJKNLTCJNYHDTN-UHFFFAOYSA-N 0 0 361.401 3.895 50 30 FHEARN Cc1cc(C)n2ncc(-c3c(C)c(-c4cccs4)nc(N)c3C#N)c2n1 ZINC000067842538 571321909 /nfs/dbraw/zinc/32/19/09/571321909.db2.gz UCRCBZBJECBQIQ-UHFFFAOYSA-N 0 0 360.446 3.899 50 30 FHEARN N#Cc1nc(COc2ccc(-c3ccccc3)cc2)oc1N1CCOCC1 ZINC000002430624 571322198 /nfs/dbraw/zinc/32/21/98/571322198.db2.gz JCTQGYGYUBUQCE-UHFFFAOYSA-N 0 0 361.401 3.629 50 30 FHEARN C=CCn1c2nc3ccccc3nc2c2c1nc(C)n(CCC(C)C)c2=O ZINC000002441748 571322388 /nfs/dbraw/zinc/32/23/88/571322388.db2.gz CQIROSYMQJDADY-UHFFFAOYSA-N 0 0 361.449 3.835 50 30 FHEARN C/C(=N\OCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000013306060 571323161 /nfs/dbraw/zinc/32/31/61/571323161.db2.gz VVWRJYIWMFAKHR-LPYMAVHISA-N 0 0 353.447 3.878 50 30 FHEARN Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccc(C#N)cc1)SCC(=O)N2 ZINC000079477059 571327531 /nfs/dbraw/zinc/32/75/31/571327531.db2.gz AUCUZPPEBDJHRH-GOSISDBHSA-N 0 0 361.430 3.872 50 30 FHEARN Cc1nc(C#N)c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)o1 ZINC000019927844 571327789 /nfs/dbraw/zinc/32/77/89/571327789.db2.gz UORFDMPUXUHJDV-UHFFFAOYSA-N 0 0 358.445 3.766 50 30 FHEARN CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@@H]1C(=O)NCC#Cc1ccccc1 ZINC000095451634 571329855 /nfs/dbraw/zinc/32/98/55/571329855.db2.gz OQYNGXWQNYRALP-XMSQKQJNSA-N 0 0 370.493 3.628 50 30 FHEARN COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCCC3)C2=O)cc1 ZINC000020624570 571331534 /nfs/dbraw/zinc/33/15/34/571331534.db2.gz JCJZLQUAMDPSAP-UNOMPAQXSA-N 0 0 351.402 3.613 50 30 FHEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1OC)O2 ZINC000020624382 571331581 /nfs/dbraw/zinc/33/15/81/571331581.db2.gz RPBKKXXUAGBFBY-UNOMPAQXSA-N 0 0 353.418 3.859 50 30 FHEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc3c(c1)OCO3)O2 ZINC000020611092 571331587 /nfs/dbraw/zinc/33/15/87/571331587.db2.gz DRBMHKRCQJFUBS-GRSHGNNSSA-N 0 0 367.401 3.579 50 30 FHEARN CSc1nc(CN2CCc3[nH]nc(C4CCCC4)c3C2)ccc1C#N ZINC000020995378 571332079 /nfs/dbraw/zinc/33/20/79/571332079.db2.gz PBCVHDXJWYJRAI-UHFFFAOYSA-N 0 0 353.495 3.614 50 30 FHEARN N#Cc1cccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccc(F)cc2)c1 ZINC000021104456 571332696 /nfs/dbraw/zinc/33/26/96/571332696.db2.gz ZKDGRLMATYYIHJ-HXUWFJFHSA-N 0 0 358.376 3.859 50 30 FHEARN C#CCOc1ccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1 ZINC000002602893 571339203 /nfs/dbraw/zinc/33/92/03/571339203.db2.gz YDMKLBYHEUXBQR-UHFFFAOYSA-N 0 0 361.441 3.742 50 30 FHEARN N#Cc1ccc(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)cc1 ZINC000002661214 571340340 /nfs/dbraw/zinc/34/03/40/571340340.db2.gz CHQLPOVVBHDJTD-UHFFFAOYSA-N 0 0 373.199 3.826 50 30 FHEARN Cn1nc(C(F)(F)F)cc1C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000002751938 571340780 /nfs/dbraw/zinc/34/07/80/571340780.db2.gz MSIIDSZEEOXIFR-UHFFFAOYSA-N 0 0 368.384 3.893 50 30 FHEARN N#Cc1c(NC(=O)Cc2ccccc2[N+](=O)[O-])sc2c1CCCCC2 ZINC000002872664 571341454 /nfs/dbraw/zinc/34/14/54/571341454.db2.gz FXEGWKIVKJXNFE-UHFFFAOYSA-N 0 0 355.419 3.978 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1F ZINC000057478232 571343565 /nfs/dbraw/zinc/34/35/65/571343565.db2.gz ZJZZOAZVCDCEPF-GOSISDBHSA-N 0 0 363.388 3.957 50 30 FHEARN N#Cc1c2c(sc1NC(=O)CSc1ncnc3ccccc31)CCC2 ZINC000003252940 571346157 /nfs/dbraw/zinc/34/61/57/571346157.db2.gz ZIQSMBMNOSEEQU-UHFFFAOYSA-N 0 0 366.471 3.782 50 30 FHEARN C[C@@]1(C(=O)NC(=S)N(CCC#N)c2ccccc2F)CC1(Cl)Cl ZINC000003281231 571346588 /nfs/dbraw/zinc/34/65/88/571346588.db2.gz LKWTYIXYLMCCJP-AWEZNQCLSA-N 0 0 374.268 3.531 50 30 FHEARN COc1cc(CN(C)C(=O)NCc2ccc(C#N)cc2)ccc1SC ZINC000058370199 571350956 /nfs/dbraw/zinc/35/09/56/571350956.db2.gz AFZWBBHBUVKFPF-UHFFFAOYSA-N 0 0 355.463 3.630 50 30 FHEARN COc1cc([C@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)ccc1O ZINC000217916634 571351652 /nfs/dbraw/zinc/35/16/52/571351652.db2.gz PCJMFYKBTYEPKG-CYBMUJFWSA-N 0 0 366.369 3.711 50 30 FHEARN COc1ccc2c(c1)CCN2C(=O)c1cc(C2CC2)nc(SC)c1C#N ZINC000058904644 571353861 /nfs/dbraw/zinc/35/38/61/571353861.db2.gz APLPPFCOFIUYOB-UHFFFAOYSA-N 0 0 365.458 3.764 50 30 FHEARN COC(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 ZINC000004079612 571354891 /nfs/dbraw/zinc/35/48/91/571354891.db2.gz KMUVCWZKBFEMMK-NSHDSACASA-N 0 0 354.431 3.783 50 30 FHEARN CC(C)N1CCc2c(C#N)c(NC(=O)CCc3ccccc3)sc2C1 ZINC000004086977 571354974 /nfs/dbraw/zinc/35/49/74/571354974.db2.gz AFTILRGEXARSBC-UHFFFAOYSA-N 0 0 353.491 3.958 50 30 FHEARN Cc1nnc(/N=C2/S/C(=C/c3ccc4ccccc4n3)C(=O)N2C)s1 ZINC000032059296 571355273 /nfs/dbraw/zinc/35/52/73/571355273.db2.gz CZAKTMSQDRXJKN-DJGRXSLVSA-N 0 0 367.459 3.629 50 30 FHEARN C=CCNC(=O)c1c(NC(=O)COc2ccccc2)sc2c1CCCC2 ZINC000004185130 571356586 /nfs/dbraw/zinc/35/65/86/571356586.db2.gz SLCMIWHXXZJSNZ-UHFFFAOYSA-N 0 0 370.474 3.560 50 30 FHEARN CC(=O)Oc1ccc(/C=C2/Oc3ccc4c(C)cc(=O)oc4c3C2=O)cc1 ZINC000032285530 571356932 /nfs/dbraw/zinc/35/69/32/571356932.db2.gz WUOJTLTXOANKDV-LICLKQGHSA-N 0 0 362.337 3.643 50 30 FHEARN CN(C(=O)COc1ccc(C2SCCCS2)cc1)C1(C#N)CCC1 ZINC000066335839 571358289 /nfs/dbraw/zinc/35/82/89/571358289.db2.gz PQXLBAUDNYSRAK-UHFFFAOYSA-N 0 0 362.520 3.839 50 30 FHEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)OC)c1 ZINC000008194872 571359846 /nfs/dbraw/zinc/35/98/46/571359846.db2.gz ZJUISECFRIRBAU-UHFFFAOYSA-N 0 0 365.838 3.508 50 30 FHEARN O=C(/C=C\c1cc(Br)ccc1F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000050647872 931456059 /nfs/dbraw/zinc/45/60/59/931456059.db2.gz ZMXIRPSAPJFRCE-KXFIGUGUSA-N 0 0 361.170 3.654 50 30 FHEARN CCN(CC)c1ccc(C=NNC(=S)Nc2cccc(C)c2)c(O)c1 ZINC000252461443 938830879 /nfs/dbraw/zinc/83/08/79/938830879.db2.gz MMOUCNYLFWCROS-UHFFFAOYSA-N 0 0 356.495 3.867 50 30 FHEARN COc1ccc(NC(=O)/C=C\c2ccc(OCC#N)c(OC)c2)cc1Cl ZINC000097674377 940191906 /nfs/dbraw/zinc/19/19/06/940191906.db2.gz HVPAVOWTIFFCTE-YWEYNIOJSA-N 0 0 372.808 3.911 50 30 FHEARN N#Cc1cccc(CN2CCCC[C@H]2c2nc(CCOCC3CC3)no2)c1 ZINC000581798404 940608098 /nfs/dbraw/zinc/60/80/98/940608098.db2.gz RXMFDPQCPKPQDB-IBGZPJMESA-N 0 0 366.465 3.638 50 30 FHEARN Cc1cc([C@@H]2CCCN(C(=O)NCCOc3cc(C)cc(C)c3)C2)[nH]n1 ZINC000328755868 942044346 /nfs/dbraw/zinc/04/43/46/942044346.db2.gz TWHOGICKXKVHKI-QGZVFWFLSA-N 0 0 356.470 3.507 50 30 FHEARN O=C(NCCc1nnnn1-c1ccccc1)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000329126845 942253963 /nfs/dbraw/zinc/25/39/63/942253963.db2.gz YRWNOKTUSLOGPN-CGTJXYLNSA-N 0 0 353.470 3.768 50 30 FHEARN COc1cccc(/C=C/C(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1OC(C)C ZINC000014181358 942734531 /nfs/dbraw/zinc/73/45/31/942734531.db2.gz UYBXXLWBNIKWPA-CSKARUKUSA-N 0 0 352.390 3.548 50 30 FHEARN CC[C@H](NC(=O)N1CCn2c(C3CCCC3)nnc2[C@@H]1C)c1nccs1 ZINC000329303036 942769794 /nfs/dbraw/zinc/76/97/94/942769794.db2.gz XBXOFTWJFXLPFQ-JSGCOSHPSA-N 0 0 374.514 3.834 50 30 FHEARN Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CC(NC(=O)C2CCC2)C1 ZINC000329796121 944278767 /nfs/dbraw/zinc/27/87/67/944278767.db2.gz DMTYRANMPJNNEH-UHFFFAOYSA-N 0 0 369.387 3.869 50 30 FHEARN Cn1cc([C@@H]2CCCN2C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)cn1 ZINC000330103288 944328254 /nfs/dbraw/zinc/32/82/54/944328254.db2.gz GEPBLSDLSSTBPF-IRXDYDNUSA-N 0 0 372.444 3.913 50 30 FHEARN O=C1c2ccccc2OC/C1=C\c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000007141262 944695333 /nfs/dbraw/zinc/69/53/33/944695333.db2.gz JHSHKPHFGOEBSJ-RVDMUPIBSA-N 0 0 350.374 3.854 50 30 FHEARN COC(=O)[C@H]1C(=O)C=C(Nc2ccc(F)cc2)C[C@H]1c1ccc(OC)cc1 ZINC000001079991 219366623 /nfs/dbraw/zinc/36/66/23/219366623.db2.gz PITPOKMPKVZPRG-AZUAARDMSA-N 0 0 369.392 3.676 50 30 FHEARN Cc1c(/N=C/c2ccccc2Br)c(=O)n(-c2ccccc2)n1C ZINC000001107474 219370082 /nfs/dbraw/zinc/37/00/82/219370082.db2.gz SMUCIGNHIUVYNN-UDWIEESQSA-N 0 0 370.250 3.998 50 30 FHEARN CN1C2=C(C(=O)CCC2)C(c2ccc([N+](=O)[O-])cc2)C2=C1CCCC2=O ZINC000001113471 219371867 /nfs/dbraw/zinc/37/18/67/219371867.db2.gz XRUBDVFDURMKEE-UHFFFAOYSA-N 0 0 352.390 3.638 50 30 FHEARN COc1ccc(C(=O)CSc2nc3c(cc2C#N)CCCC3)cc1OC ZINC000001125956 219375066 /nfs/dbraw/zinc/37/50/66/219375066.db2.gz WEQQDAFXPVNLAE-UHFFFAOYSA-N 0 0 368.458 3.824 50 30 FHEARN Cc1ccc(-c2nc3n(n2)[C@@H](c2cccc(O)c2)C2C(=O)CCCC2=N3)cc1 ZINC000004279832 219561494 /nfs/dbraw/zinc/56/14/94/219561494.db2.gz TYYVCLIVZFGYIL-FQEVSTJZSA-N 0 0 372.428 3.981 50 30 FHEARN C=CCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC ZINC000007886322 209465133 /nfs/dbraw/zinc/46/51/33/209465133.db2.gz NPFKMQLABVLIQM-HXUWFJFHSA-N 0 0 350.418 3.989 50 30 FHEARN C[C@H]1CCc2c(C#N)c(NC(=O)[C@@H]3COc4ccccc4O3)sc2C1 ZINC000004088487 209412728 /nfs/dbraw/zinc/41/27/28/209412728.db2.gz PMVPMAWTSPHZIM-ZBEGNZNMSA-N 0 0 354.431 3.523 50 30 FHEARN Cc1cnc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1 ZINC000002067070 209393830 /nfs/dbraw/zinc/39/38/30/209393830.db2.gz SUJFCYTUOHTHJD-UHFFFAOYSA-N 0 0 360.201 3.858 50 30 FHEARN Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3OCC#N)cs2)n1C ZINC000130074046 209369904 /nfs/dbraw/zinc/36/99/04/209369904.db2.gz WZIMDFAHDRBVHA-UHFFFAOYSA-N 0 0 370.409 3.751 50 30 FHEARN Cn1c2ccc(Cl)cc2nc1SCC(=O)N(CC#N)c1ccccc1 ZINC000048354923 209329990 /nfs/dbraw/zinc/32/99/90/209329990.db2.gz ZAKLQHJPTYQKMQ-UHFFFAOYSA-N 0 0 370.865 3.876 50 30 FHEARN C=CCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)NC(C)C)c1 ZINC000037600567 209293474 /nfs/dbraw/zinc/29/34/74/209293474.db2.gz OQQNLMGVHDVPFH-UHFFFAOYSA-N 0 0 365.477 3.656 50 30 FHEARN CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1 ZINC000102578158 209237757 /nfs/dbraw/zinc/23/77/57/209237757.db2.gz SOTVCXIYJWBPPE-LFVOPCPISA-N 0 0 365.429 3.917 50 30 FHEARN COc1cc2c(cc1OC)-c1cc(-c3ccccc3)c(C#N)c(=N)n1CC2 ZINC000101380062 209225426 /nfs/dbraw/zinc/22/54/26/209225426.db2.gz HCIGEPNEZJDTEC-UHFFFAOYSA-N 0 0 357.413 3.747 50 30 FHEARN N#Cc1c(-c2ccccc2)cc2n(c1=N)CCc1cc3c(cc1-2)OCCCO3 ZINC000101372123 209224904 /nfs/dbraw/zinc/22/49/04/209224904.db2.gz STUDBPUWWNDHGR-UHFFFAOYSA-N 0 0 369.424 3.891 50 30 FHEARN CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccncc1 ZINC000101284800 209222843 /nfs/dbraw/zinc/22/28/43/209222843.db2.gz CEKZZGUSXVATKR-GOSISDBHSA-N 0 0 369.469 3.866 50 30 FHEARN O=C1c2ccccc2C(=O)C1=CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000100937994 209221048 /nfs/dbraw/zinc/22/10/48/209221048.db2.gz QPQYXOBSDUHGGD-UHFFFAOYSA-N 0 0 362.263 3.989 50 30 FHEARN CCOC(=O)c1oc2c(c1C)C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000100731542 209218190 /nfs/dbraw/zinc/21/81/90/209218190.db2.gz RXMNXFORZCWSCL-ZHZULCJRSA-N 0 0 357.366 3.825 50 30 FHEARN CCOc1ccc(CCNC2=C(C(=O)CC)C(=O)CCC2)cc1OCC ZINC000100140113 209210311 /nfs/dbraw/zinc/21/03/11/209210311.db2.gz GHELZMJGAQGILD-UHFFFAOYSA-N 0 0 359.466 3.602 50 30 FHEARN CCOc1ccc(CCNC(CC)=C2C(=O)CCCC2=O)cc1OCC ZINC000100140260 209209870 /nfs/dbraw/zinc/20/98/70/209209870.db2.gz PBWYWDNXQUYRBN-UHFFFAOYSA-N 0 0 359.466 3.602 50 30 FHEARN N/C(=N\O)c1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)cn1 ZINC000098071494 209204663 /nfs/dbraw/zinc/20/46/63/209204663.db2.gz LVKOBADJPPKHQZ-UHFFFAOYSA-N 0 0 374.400 3.537 50 30 FHEARN O=C(Nc1n[nH]c(-c2ccccc2Cl)n1)c1ccc2c(c1)CCC(=O)N2 ZINC000097334985 209178048 /nfs/dbraw/zinc/17/80/48/209178048.db2.gz JEMMTLNTEFVMAK-UHFFFAOYSA-N 0 0 367.796 3.646 50 30 FHEARN COc1ccc(Cl)cc1NC(=O)/C=C\c1ccc(OCC#N)c(OC)c1 ZINC000096571031 209155899 /nfs/dbraw/zinc/15/58/99/209155899.db2.gz ZFDLNWPGHBLMJG-YWEYNIOJSA-N 0 0 372.808 3.911 50 30 FHEARN N#Cc1cccc(C2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)c1 ZINC000096140101 209121225 /nfs/dbraw/zinc/12/12/25/209121225.db2.gz PPNAFLKEFNJRKK-UHFFFAOYSA-N 0 0 373.456 3.705 50 30 FHEARN C/C=C\c1ccc(OCC(=O)N(C)Cc2cccc(C#N)c2)c(OC)c1 ZINC000096129916 209116044 /nfs/dbraw/zinc/11/60/44/209116044.db2.gz FAXXKPQSEGZZAC-XQRVVYSFSA-N 0 0 350.418 3.637 50 30 FHEARN C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC#C)C2=O)cc1Cl ZINC000004676071 206707021 /nfs/dbraw/zinc/70/70/21/206707021.db2.gz KBHGEHXLIGVGMD-UKTHLTGXSA-N 0 0 366.225 3.675 50 30 FHEARN C=CCNC(=O)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F ZINC000005200914 206709049 /nfs/dbraw/zinc/70/90/49/206709049.db2.gz BZGLCJUXMFHTGK-ZYHUDNBSSA-N 0 0 356.373 3.521 50 30 FHEARN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC)c(OC)c2)C1=O ZINC000000981928 206740690 /nfs/dbraw/zinc/74/06/90/206740690.db2.gz SBWABEALMCRVCO-UKTHLTGXSA-N 0 0 353.827 3.970 50 30 FHEARN C=CCc1cccc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)c(=O)oc21 ZINC000000841025 206740693 /nfs/dbraw/zinc/74/06/93/206740693.db2.gz KYFMFDSYOJAGIR-UHFFFAOYSA-N 0 0 350.330 3.682 50 30 FHEARN C=CCN(C(=O)c1cnn(-c2ccccc2)n1)c1nc2ccccc2s1 ZINC000032772696 206756791 /nfs/dbraw/zinc/75/67/91/206756791.db2.gz COZSJWRVGMAATG-UHFFFAOYSA-N 0 0 361.430 3.710 50 30 FHEARN COc1ccc(/C=C2\Oc3c(ccc(OCC(C)=O)c3C)C2=O)c(OC)c1 ZINC000012878359 206802260 /nfs/dbraw/zinc/80/22/60/206802260.db2.gz CETZVZNEAXLWIE-OCKHKDLRSA-N 0 0 368.385 3.596 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccc(OC)cc2)C[C@H]1c1ccccc1 ZINC000000758163 206829125 /nfs/dbraw/zinc/82/91/25/206829125.db2.gz DDVRWGYUIYXVRS-FPOVZHCZSA-N 0 0 365.429 3.927 50 30 FHEARN CCOC(=O)c1c(C)c(C#N)c(NC(=O)C(C)(C)C)n1-c1ccccc1 ZINC000001046974 206858323 /nfs/dbraw/zinc/85/83/23/206858323.db2.gz NDVKQDZSXRUDHN-UHFFFAOYSA-N 0 0 353.422 3.819 50 30 FHEARN O=C(Nc1nc(NC(=O)c2ccccc2)nn1-c1ccccc1)c1ccco1 ZINC000002234213 206905971 /nfs/dbraw/zinc/90/59/71/206905971.db2.gz QUXWYCJKIJREBQ-UHFFFAOYSA-N 0 0 373.372 3.749 50 30 FHEARN CC(=O)N(CCc1ccccc1)C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000002284135 206908541 /nfs/dbraw/zinc/90/85/41/206908541.db2.gz GOIVLWGWCJTPFV-UHFFFAOYSA-N 0 0 353.805 3.607 50 30 FHEARN N#Cc1c(=O)n(-c2ccc(OC(F)F)cc2)c(=S)n2c1CCCCC2 ZINC000002637895 206925104 /nfs/dbraw/zinc/92/51/04/206925104.db2.gz KEUSRDANYCXYJM-UHFFFAOYSA-N 0 0 363.389 3.568 50 30 FHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)cc1 ZINC000002776328 206933006 /nfs/dbraw/zinc/93/30/06/206933006.db2.gz SSMZOAGTGRHGMJ-IBGZPJMESA-N 0 0 369.461 3.949 50 30 FHEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(O)cc2)C2=C(CCCC2=O)N1 ZINC000003098464 206957541 /nfs/dbraw/zinc/95/75/41/206957541.db2.gz PCBFGNUQEMKSII-FQEVSTJZSA-N 0 0 367.445 3.846 50 30 FHEARN Cc1cccc(C)c1OCCn1cc(/C=N/n2cnnc2)c2ccccc21 ZINC000002977964 206950687 /nfs/dbraw/zinc/95/06/87/206950687.db2.gz OZDHOULSUWTHFQ-WYMPLXKRSA-N 0 0 359.433 3.811 50 30 FHEARN CCC(=O)N(CCc1ccccc1)C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000004106722 207000712 /nfs/dbraw/zinc/00/07/12/207000712.db2.gz VVIOPQSGGOXYDF-UHFFFAOYSA-N 0 0 367.832 3.997 50 30 FHEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccncc1)c1ccccc1 ZINC000004114958 207000921 /nfs/dbraw/zinc/00/09/21/207000921.db2.gz FNPDHQWFCICVSC-HXUWFJFHSA-N 0 0 370.408 3.860 50 30 FHEARN COc1ccc(O)c(CN=Nc2ncnc3sc4c(c32)CCCC4)c1 ZINC000004155029 207002511 /nfs/dbraw/zinc/00/25/11/207002511.db2.gz QCMYZRRWSJJQHR-ZVBGSRNCSA-N 0 0 354.435 3.730 50 30 FHEARN Cc1cccc(Nc2nc3no[nH]c-3nc2=NN=Cc2ccccc2F)c1 ZINC000004179335 207006182 /nfs/dbraw/zinc/00/61/82/207006182.db2.gz RDVZEDTWODFZSB-KEBDBYFISA-N 0 0 363.356 3.650 50 30 FHEARN CCN1C2=C(C(=O)CCC2)C(c2ccc(O)c(OC)c2)C2=C1CCCC2=O ZINC000004307137 207012575 /nfs/dbraw/zinc/01/25/75/207012575.db2.gz JJUOFLIFEYHZFH-UHFFFAOYSA-N 0 0 367.445 3.834 50 30 FHEARN O=c1c2ccccc2nc(N=NCc2ccccc2O)n1-c1ccccc1 ZINC000004322240 207013842 /nfs/dbraw/zinc/01/38/42/207013842.db2.gz YOFALMLXFIWTON-HYARGMPZSA-N 0 0 356.385 3.537 50 30 FHEARN Cc1nc2n(n1)[C@H](c1ccc(C)cc1)C1C(=O)C[C@@H](c3ccco3)CC1=N2 ZINC000004502366 207023112 /nfs/dbraw/zinc/02/31/12/207023112.db2.gz YHRMIFSXFOSEOD-MGPUTAFESA-N 0 0 360.417 3.904 50 30 FHEARN N/C(Cc1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1)=N\O ZINC000004394743 207018834 /nfs/dbraw/zinc/01/88/34/207018834.db2.gz MUQMSCOGAGEEJT-UHFFFAOYSA-N 0 0 359.735 3.622 50 30 FHEARN CCN1C(=O)C[C@@H](C(=O)Nc2ccccc2)S/C1=N\c1ccc(F)cc1 ZINC000004460958 207020042 /nfs/dbraw/zinc/02/00/42/207020042.db2.gz WKPPEZGMWARDKV-VFOOBRQFSA-N 0 0 371.437 3.806 50 30 FHEARN O=[N+]([O-])c1ccccc1C=NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000004481355 207021032 /nfs/dbraw/zinc/02/10/32/207021032.db2.gz JWIIOURVGSNDLG-QGMBQPNBSA-N 0 0 354.244 3.968 50 30 FHEARN CCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(C)nn32)cc1 ZINC000004520761 207025046 /nfs/dbraw/zinc/02/50/46/207025046.db2.gz KUKLKNUDPZMSNB-GOSISDBHSA-N 0 0 352.438 3.643 50 30 FHEARN COCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccs1 ZINC000004541043 207026938 /nfs/dbraw/zinc/02/69/38/207026938.db2.gz WVZIGLRTMMGUOC-QGZVFWFLSA-N 0 0 371.458 3.590 50 30 FHEARN COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=Cc2ccc(O)cc2)C1=O ZINC000004661045 207035389 /nfs/dbraw/zinc/03/53/89/207035389.db2.gz GMZVKNOHFAPDBM-GZTJUZNOSA-N 0 0 369.804 3.923 50 30 FHEARN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(F)cc1 ZINC000004712082 207040190 /nfs/dbraw/zinc/04/01/90/207040190.db2.gz CADOOAURUAPDMR-FBHDLOMBSA-N 0 0 353.357 3.982 50 30 FHEARN C=C(C)Cn1c(SCC#N)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000004785688 207047937 /nfs/dbraw/zinc/04/79/37/207047937.db2.gz DBFWBLOQDPQARP-UHFFFAOYSA-N 0 0 361.492 3.501 50 30 FHEARN COc1ccccc1CC(=N)NOC(=O)c1ccc(Cl)cc1Cl ZINC000004723504 207042350 /nfs/dbraw/zinc/04/23/50/207042350.db2.gz BDLRAMDHYZZZOS-UHFFFAOYSA-N 0 0 353.205 3.674 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccncc1 ZINC000004726891 207042521 /nfs/dbraw/zinc/04/25/21/207042521.db2.gz RUVKUQSYYJCJBD-UTKZUKDTSA-N 0 0 374.440 3.616 50 30 FHEARN C[C@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2ccccc2)C1=O ZINC000004955824 207066773 /nfs/dbraw/zinc/06/67/73/207066773.db2.gz HGWFUJJHSWCXAE-RLZIYIDSSA-N 0 0 366.490 3.607 50 30 FHEARN C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N/N=C/c1cccs1 ZINC000004899055 207060355 /nfs/dbraw/zinc/06/03/55/207060355.db2.gz RRXCQTIWJNRWFD-LYHVSDRMSA-N 0 0 355.488 3.811 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000004906905 207060546 /nfs/dbraw/zinc/06/05/46/207060546.db2.gz LCNHMTWIHYLEKA-AZUAARDMSA-N 0 0 365.385 3.914 50 30 aggregator FHEARN COc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 ZINC000004915979 207061818 /nfs/dbraw/zinc/06/18/18/207061818.db2.gz MTQALQBWUDTCSZ-DZGCQCFKSA-N 0 0 353.443 3.761 50 30 FHEARN COc1ccccc1/C=N/N=C1/NC(=O)C(Cc2ccccc2Cl)S1 ZINC000005047601 207076498 /nfs/dbraw/zinc/07/64/98/207076498.db2.gz ZUGBDQPBYHKPBD-YODDIOPGSA-N 0 0 373.865 3.513 50 30 FHEARN C=CCN1C(=O)[C@@H](Cc2cccc(Cl)c2)S/C1=N/N=C/c1ccco1 ZINC000005047927 207076721 /nfs/dbraw/zinc/07/67/21/207076721.db2.gz SFUUXISYGXLKHO-ZEOVRSRCSA-N 0 0 373.865 3.996 50 30 FHEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(Cl)cc1F ZINC000005009235 207070647 /nfs/dbraw/zinc/07/06/47/207070647.db2.gz IHRSEFYGVBRSCW-UHFFFAOYSA-N 0 0 359.813 3.805 50 30 FHEARN CCN1C(=O)C[C@@H](C(=O)Nc2ccccc2)S/C1=N\c1ccccc1 ZINC000004996904 207070849 /nfs/dbraw/zinc/07/08/49/207070849.db2.gz CWVZZFVRAHJWKE-XOMICKMZSA-N 0 0 353.447 3.667 50 30 FHEARN CC(=O)C1=C(C)Nc2sc(C#N)c(N)c2[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000005094055 207079781 /nfs/dbraw/zinc/07/97/81/207079781.db2.gz JINPMVTWSZXEOM-CQSZACIVSA-N 0 0 354.391 3.531 50 30 FHEARN COc1ccc(CC(=O)NC(=N)Nc2nc3ccccc3s2)cc1OC ZINC000005094570 207080292 /nfs/dbraw/zinc/08/02/92/207080292.db2.gz PWROHLNFJMLMPG-UHFFFAOYSA-N 0 0 370.434 3.859 50 30 FHEARN COc1cc2nc(C)n(/N=C/c3ccc(C(C)C)cc3)c(=O)c2cc1OC ZINC000005100445 207080991 /nfs/dbraw/zinc/08/09/91/207080991.db2.gz VWEOHEOSJQHSIE-WSDLNYQXSA-N 0 0 365.433 3.728 50 30 FHEARN CCOc1ccc(C[C@H]2S/C(=N/N=C(\C)c3ccccc3)NC2=O)cc1 ZINC000005124049 207082326 /nfs/dbraw/zinc/08/23/26/207082326.db2.gz BIROAIKAPQNZLA-SDLXJUDFSA-N 0 0 367.474 3.640 50 30 FHEARN CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccccc1 ZINC000005312149 207092778 /nfs/dbraw/zinc/09/27/78/207092778.db2.gz CESRBPFOCNEFFS-UHFFFAOYSA-N 0 0 363.446 3.567 50 30 FHEARN Cc1c(NC2=CC(=O)C[C@H](c3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000005211995 207087554 /nfs/dbraw/zinc/08/75/54/207087554.db2.gz WCEQSDJAWZLMDA-GOSISDBHSA-N 0 0 373.456 3.927 50 30 FHEARN Cc1c(NC2=CC(=O)C[C@@H](c3ccccc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000005211996 207087562 /nfs/dbraw/zinc/08/75/62/207087562.db2.gz WCEQSDJAWZLMDA-SFHVURJKSA-N 0 0 373.456 3.927 50 30 FHEARN CCOCCCn1c(SCCCC#N)nc2sc(C)c(C)c2c1=O ZINC000005570605 207106490 /nfs/dbraw/zinc/10/64/90/207106490.db2.gz PNUQJVHUSDFJEN-UHFFFAOYSA-N 0 0 365.524 3.897 50 30 FHEARN CCN(CC)c1nc(NCc2ccccc2)c(C#N)c2c1CN(CC)CC2 ZINC000005790815 207115807 /nfs/dbraw/zinc/11/58/07/207115807.db2.gz WXIAPDQHCQQEEP-UHFFFAOYSA-N 0 0 363.509 3.790 50 30 FHEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 ZINC000005851072 207119327 /nfs/dbraw/zinc/11/93/27/207119327.db2.gz XIYDRYGMQHZLNH-MRXNPFEDSA-N 0 0 371.780 3.759 50 30 FHEARN Clc1cccc(/N=C2\NN=C(c3ccc4c(c3)OCCO4)CS2)c1 ZINC000005862106 207120616 /nfs/dbraw/zinc/12/06/16/207120616.db2.gz CSAMKEFXMCEIOG-UHFFFAOYSA-N 0 0 359.838 3.839 50 30 FHEARN COc1cccc(C=NN2C(=S)N=NC2c2ccccc2Cl)c1OC ZINC000006007375 207124523 /nfs/dbraw/zinc/12/45/23/207124523.db2.gz OQEKDBNJRDOVQV-VXLYETTFSA-N 0 0 374.853 3.787 50 30 FHEARN COc1ccc(OC)c(C=NN2C(=S)N=NC2c2ccccc2Cl)c1 ZINC000006005394 207125280 /nfs/dbraw/zinc/12/52/80/207125280.db2.gz NRRAKWQPPWWYNJ-VXLYETTFSA-N 0 0 374.853 3.787 50 30 FHEARN S=C1N=NC(c2ccccc2)N1N=Cc1ccc(Br)s1 ZINC000006062205 207127618 /nfs/dbraw/zinc/12/76/18/207127618.db2.gz GVJUFZUTDHGHRG-OVCLIPMQSA-N 0 0 365.281 3.940 50 30 FHEARN Cc1cc(NC(=NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)no1 ZINC000006235126 207133920 /nfs/dbraw/zinc/13/39/20/207133920.db2.gz VXRBOQYKDDPOHO-UHFFFAOYSA-N 0 0 355.419 3.539 50 30 FHEARN N#Cc1cc2c(nc1SCC(=O)Nc1ccc(Cl)cc1)CCCC2=O ZINC000006225645 207134082 /nfs/dbraw/zinc/13/40/82/207134082.db2.gz KQIHHTMMZJLOHM-UHFFFAOYSA-N 0 0 371.849 3.856 50 30 FHEARN Cc1c([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc4ccccc4n32)cnn1C ZINC000006275651 207135863 /nfs/dbraw/zinc/13/58/63/207135863.db2.gz PAUPBXGVXWRNPT-IBGZPJMESA-N 0 0 361.449 3.736 50 30 FHEARN Cc1ccc(S(=O)(=O)N=C2NC(=O)C(=Cc3ccccc3)S2)cc1 ZINC000006199442 207133030 /nfs/dbraw/zinc/13/30/30/207133030.db2.gz MQJNUABGJUASJP-RVDMUPIBSA-N 0 0 358.444 3.784 50 30 FHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc21 ZINC000006466246 207141932 /nfs/dbraw/zinc/14/19/32/207141932.db2.gz MAJHSNBKLUMKGT-KBPBESRZSA-N 0 0 362.385 3.621 50 30 FHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc21 ZINC000006466244 207142022 /nfs/dbraw/zinc/14/20/22/207142022.db2.gz MAJHSNBKLUMKGT-UONOGXRCSA-N 0 0 362.385 3.621 50 30 FHEARN CC1CCC(C#N)(N(C)C(=O)CN2CC=C(c3ccccc3)CC2)CC1 ZINC000006551906 207146151 /nfs/dbraw/zinc/14/61/51/207146151.db2.gz BWLSXRQTJLKEQV-UHFFFAOYSA-N 0 0 351.494 3.707 50 30 FHEARN COc1ccc(Cl)cc1NC(=O)/C=C/c1ccc(OCC#N)c(OC)c1 ZINC000006552428 207146272 /nfs/dbraw/zinc/14/62/72/207146272.db2.gz ZFDLNWPGHBLMJG-XBXARRHUSA-N 0 0 372.808 3.911 50 30 FHEARN Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)Nc3cccc(C#N)c3)n2)cc1C ZINC000006767903 207162967 /nfs/dbraw/zinc/16/29/67/207162967.db2.gz VJGQKCHVBKFZQP-MRXNPFEDSA-N 0 0 372.428 3.599 50 30 FHEARN CN(CC(=O)Nc1sc2c(c1C#N)CCCC2)Cc1ccccc1F ZINC000006785508 207164803 /nfs/dbraw/zinc/16/48/03/207164803.db2.gz RPDDLIJMJRYUGH-UHFFFAOYSA-N 0 0 357.454 3.708 50 30 FHEARN Cc1nc(S[C@H](C)C(=O)NC2(C#N)CCCCC2)c(C#N)c(C)c1C ZINC000007060014 207185090 /nfs/dbraw/zinc/18/50/90/207185090.db2.gz QKGQIZXFYQNKMB-OAHLLOKOSA-N 0 0 356.495 3.702 50 30 FHEARN Cc1nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)c(C#N)c(C)c1C ZINC000007058680 207185820 /nfs/dbraw/zinc/18/58/20/207185820.db2.gz SWQZGDRDIRHTNU-UHFFFAOYSA-N 0 0 371.418 3.946 50 30 FHEARN N#Cc1ccc(CSc2nnc([C@H]3COc4ccccc4O3)o2)cc1 ZINC000007088891 207187530 /nfs/dbraw/zinc/18/75/30/207187530.db2.gz PLCSQPXQNFJWOC-MRXNPFEDSA-N 0 0 351.387 3.746 50 30 FHEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)O[C@@H](C)c1ccccc1Cl ZINC000007674073 207202116 /nfs/dbraw/zinc/20/21/16/207202116.db2.gz FILKACYGFXEBOX-ZDUSSCGKSA-N 0 0 358.825 3.754 50 30 FHEARN N#CC1(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)CCCC1 ZINC000008001058 207216123 /nfs/dbraw/zinc/21/61/23/207216123.db2.gz WUDPUWWNQLCXFT-GOSISDBHSA-N 0 0 371.531 3.710 50 30 FHEARN O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)c1ccc2c(c1)OCCO2 ZINC000008055078 207217046 /nfs/dbraw/zinc/21/70/46/207217046.db2.gz BAHNKBNYTCXJTH-HNQUOIGGSA-N 0 0 358.777 3.779 50 30 FHEARN Cc1c(C(=O)Nc2ccccc2C#N)nnn1-c1cc(Cl)ccc1C ZINC000008021663 207217526 /nfs/dbraw/zinc/21/75/26/207217526.db2.gz RUGOGCVEBZJTSQ-UHFFFAOYSA-N 0 0 351.797 3.662 50 30 FHEARN COc1cc(C(=O)Nc2cccc(C#N)c2)cc(OC)c1Br ZINC000007956102 207212981 /nfs/dbraw/zinc/21/29/81/207212981.db2.gz CHCCMWKMGHYVOP-UHFFFAOYSA-N 0 0 361.195 3.590 50 30 FHEARN Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(C#N)c(Cl)c2)CC1=O ZINC000008217043 207223111 /nfs/dbraw/zinc/22/31/11/207223111.db2.gz BUZRWFJECVDONJ-AWEZNQCLSA-N 0 0 353.809 3.512 50 30 FHEARN CCOc1ccc(/C=C/c2nc(C#N)c(NCCCn3ccnc3)o2)cc1 ZINC000008323885 207228844 /nfs/dbraw/zinc/22/88/44/207228844.db2.gz AQYACTRLZYFNDM-RMKNXTFCSA-N 0 0 363.421 3.814 50 30 FHEARN S=C1N=NC(c2ccco2)N1N=Cc1cc(Br)cs1 ZINC000008340085 207229732 /nfs/dbraw/zinc/22/97/32/207229732.db2.gz SKLFIRIVXJYTKD-WLRTZDKTSA-N 0 0 355.242 3.533 50 30 FHEARN COc1cc(/C=C/C(=O)c2ccc(-n3cncn3)cc2)cc(Cl)c1O ZINC000008447004 207233334 /nfs/dbraw/zinc/23/33/34/207233334.db2.gz QUVBCISYBLSGFS-FARCUNLSSA-N 0 0 355.781 3.531 50 30 FHEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@@H]2c1ccccc1 ZINC000008578830 207236509 /nfs/dbraw/zinc/23/65/09/207236509.db2.gz ONGNCADZJOQNFG-CYBMUJFWSA-N 0 0 353.447 3.633 50 30 FHEARN N#Cc1ccsc1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 ZINC000008707507 207242473 /nfs/dbraw/zinc/24/24/73/207242473.db2.gz MLEJNHFRNHFYMZ-UHFFFAOYSA-N 0 0 372.409 3.571 50 30 FHEARN COc1ccc(NC(=S)NC[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000008683083 207240964 /nfs/dbraw/zinc/24/09/64/207240964.db2.gz GPUHIRSALCEOGX-OAHLLOKOSA-N 0 0 371.506 3.928 50 30 FHEARN CCc1cc(S[C@@H]2C[C@@H](C)OC2=O)n2c3ccccc3nc2c1C#N ZINC000009115137 207258775 /nfs/dbraw/zinc/25/87/75/207258775.db2.gz ORWAMFQZEGSXRJ-BDJLRTHQSA-N 0 0 351.431 3.718 50 30 FHEARN N#CCCSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3 ZINC000009365722 207268550 /nfs/dbraw/zinc/26/85/50/207268550.db2.gz MAFJIWKESOGAOQ-UHFFFAOYSA-N 0 0 357.460 3.594 50 30 FHEARN Cn1ccnc1[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000009367245 207268044 /nfs/dbraw/zinc/26/80/44/207268044.db2.gz ZBMFAYWGSQVLTM-KRWDZBQOSA-N 0 0 351.341 3.541 50 30 FHEARN COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1OC ZINC000009691012 207283086 /nfs/dbraw/zinc/28/30/86/207283086.db2.gz UNHHECVSEQEUCM-LBPRGKRZSA-N 0 0 374.824 3.943 50 30 FHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccccc1)c1ccccn1 ZINC000010814161 207306165 /nfs/dbraw/zinc/30/61/65/207306165.db2.gz ZZNOSQUHSJFERO-QGZVFWFLSA-N 0 0 357.413 3.954 50 30 FHEARN O=C(/C=C/c1cccc(NC(=O)C(F)(F)F)c1)c1ccc2c(c1)OCO2 ZINC000011288574 207311459 /nfs/dbraw/zinc/31/14/59/207311459.db2.gz PZELMBJJIGLMSG-GQCTYLIASA-N 0 0 363.291 3.812 50 30 FHEARN C[C@@H](Sc1nnc(CCC2CCCC2)[nH]1)C(=O)Nc1cccc(C#N)c1 ZINC000012104708 207337937 /nfs/dbraw/zinc/33/79/37/207337937.db2.gz GQRVREQWVZSIBF-CYBMUJFWSA-N 0 0 369.494 3.918 50 30 FHEARN O=S1(=O)CC[C@H](/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000012428687 207373638 /nfs/dbraw/zinc/37/36/38/207373638.db2.gz BYULKXUGMYBJKD-QOJWJBQSSA-N 0 0 357.353 3.571 50 30 FHEARN CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccc(C#N)cc1)O[C@@H](C)C2 ZINC000012563088 207393720 /nfs/dbraw/zinc/39/37/20/207393720.db2.gz IDVAYSIKTOZOQG-KBPBESRZSA-N 0 0 365.433 3.719 50 30 FHEARN O=C1CN2c3scc(-c4ccsc4)c3C(=O)NC2=C1c1ccccc1 ZINC000012583758 207398199 /nfs/dbraw/zinc/39/81/99/207398199.db2.gz ZLXDOODWZRMOEA-UHFFFAOYSA-N 0 0 364.451 3.978 50 30 FHEARN COC(=O)c1ccc(CN=Nc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000012689965 207406834 /nfs/dbraw/zinc/40/68/34/207406834.db2.gz OERKMHKTHMNFNV-LSHDLFTRSA-N 0 0 366.446 3.803 50 30 FHEARN C[C@@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000014135049 207502541 /nfs/dbraw/zinc/50/25/41/207502541.db2.gz HIJKWWMTWXHLPF-SFHVURJKSA-N 0 0 374.227 3.832 50 30 FHEARN O=C1c2ccccc2N[C@H](c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)N1O ZINC000015932731 207575744 /nfs/dbraw/zinc/57/57/44/207575744.db2.gz KLGYIJPUSMOYKL-KRWDZBQOSA-N 0 0 351.318 3.811 50 30 FHEARN CC(C)(C)c1ccc(OCC(=O)Nc2nc[nH]n2)c(Br)c1 ZINC000018221728 207631614 /nfs/dbraw/zinc/63/16/14/207631614.db2.gz FZACAQMTXSRWTO-UHFFFAOYSA-N 0 0 353.220 3.532 50 30 FHEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)cc1 ZINC000019287928 207653634 /nfs/dbraw/zinc/65/36/34/207653634.db2.gz KPGJUGFNXQDRLZ-SFHVURJKSA-N 0 0 355.434 3.616 50 30 FHEARN COc1cc(OC)c(C(=O)/C=C/c2cnc(N3CCCC3)nc2)cc1Cl ZINC000032831810 208047931 /nfs/dbraw/zinc/04/79/31/208047931.db2.gz ZYWOTUOTFIPYJK-AATRIKPKSA-N 0 0 373.840 3.644 50 30 FHEARN N#Cc1c2c(c(-c3ccco3)nc1OCC(=O)NC1CCCCC1)CCC2 ZINC000032094295 208023416 /nfs/dbraw/zinc/02/34/16/208023416.db2.gz MOOBJWLZYJQAMK-UHFFFAOYSA-N 0 0 365.433 3.530 50 30 FHEARN CSc1nncn1/N=C/c1ccc(COc2ccc(F)c(Cl)c2)o1 ZINC000036611366 208165872 /nfs/dbraw/zinc/16/58/72/208165872.db2.gz SWEIIYZRYKALBA-FBCYGCLPSA-N 0 0 366.805 3.847 50 30 FHEARN COC(=O)C1=C(Nc2ccccc2F)SC(=Cc2ccc(O)cc2)C1=O ZINC000036257191 208151860 /nfs/dbraw/zinc/15/18/60/208151860.db2.gz CSOBLSZLDDROGU-XNTDXEJSSA-N 0 0 371.389 3.685 50 30 FHEARN Cc1c(C(=O)NCCSCc2ccccc2C#N)oc2c1C(=O)CCC2 ZINC000040131213 208233705 /nfs/dbraw/zinc/23/37/05/208233705.db2.gz LLQBUATXFAWKMH-UHFFFAOYSA-N 0 0 368.458 3.642 50 30 FHEARN CN(CCCc1cc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1C#N ZINC000040149279 208236190 /nfs/dbraw/zinc/23/61/90/208236190.db2.gz RXRGYSZEGQABDT-UHFFFAOYSA-N 0 0 361.405 3.926 50 30 FHEARN N#C[C@@H](c1ccccc1)c1ccc(NC(=O)N2CCOCC2)cc1Cl ZINC000047565540 208380701 /nfs/dbraw/zinc/38/07/01/208380701.db2.gz LXDLCHCZBQBEBV-KRWDZBQOSA-N 0 0 355.825 3.860 50 30 FHEARN Cc1ccc(N2C(=O)C[C@H](C(=O)N[C@@H](C)CC#N)[C@@H]2c2cccs2)cc1 ZINC000058421126 208584714 /nfs/dbraw/zinc/58/47/14/208584714.db2.gz WERIOUVQEWNHMY-URLQWDBASA-N 0 0 367.474 3.569 50 30 FHEARN Cc1ccccc1-c1noc(C2CCN(C(=O)c3ccc(C#N)cc3)CC2)n1 ZINC000064818350 208624157 /nfs/dbraw/zinc/62/41/57/208624157.db2.gz QRDHPONEPBBIOS-UHFFFAOYSA-N 0 0 372.428 3.937 50 30 FHEARN N#Cc1ccc(OC2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)nc1 ZINC000090607644 208752111 /nfs/dbraw/zinc/75/21/11/208752111.db2.gz WBUYCXKTMRLMRN-UHFFFAOYSA-N 0 0 356.813 3.682 50 30 FHEARN CCc1sc(NC(=O)CC#N)nc1-c1ccc(Br)cc1 ZINC000072333505 208834061 /nfs/dbraw/zinc/83/40/61/208834061.db2.gz RJGJCUXIPKXCEP-UHFFFAOYSA-N 0 0 350.241 3.987 50 30 FHEARN COc1ccc(-c2ncc(C(=O)N[C@@H](C#N)Cc3ccccc3)s2)cc1 ZINC000089455374 208968126 /nfs/dbraw/zinc/96/81/26/208968126.db2.gz DFTFDJVZOLLSBU-MRXNPFEDSA-N 0 0 363.442 3.683 50 30 FHEARN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000096004133 209095086 /nfs/dbraw/zinc/09/50/86/209095086.db2.gz WVKVGXUWSWGIPU-NHYWBVRUSA-N 0 0 363.343 3.705 50 30 FHEARN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000096004131 209094709 /nfs/dbraw/zinc/09/47/09/209094709.db2.gz WVKVGXUWSWGIPU-ABAIWWIYSA-N 0 0 363.343 3.705 50 30 FHEARN CCCS(=O)(=O)Nc1cccc(NCc2cccc(C#N)c2F)c1C ZINC000095460371 209053585 /nfs/dbraw/zinc/05/35/85/209053585.db2.gz KMOIXDQTKORDFX-UHFFFAOYSA-N 0 0 361.442 3.770 50 30 FHEARN COc1cc2c(cc1OC)C(=O)/C(=C\c1c(Cl)nc3sccn13)C2 ZINC000095472557 209056991 /nfs/dbraw/zinc/05/69/91/209056991.db2.gz CLPFWIDBPXKVDZ-POHAHGRESA-N 0 0 360.822 3.889 50 30 FHEARN N#CCCSc1ccccc1NC(=O)CCNC(=O)c1cccs1 ZINC000095953423 209089393 /nfs/dbraw/zinc/08/93/93/209089393.db2.gz XKWUIDAOJUNZKS-UHFFFAOYSA-N 0 0 359.476 3.512 50 30 FHEARN CCC(=O)N1CCc2cc(C(=O)Nc3sc4c(c3C#N)CCC4)ccc21 ZINC000095950179 209088443 /nfs/dbraw/zinc/08/84/43/209088443.db2.gz YODYJYKKMACRCT-UHFFFAOYSA-N 0 0 365.458 3.660 50 30 FHEARN Cc1ccc(Cl)cc1N1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 ZINC000095972537 132216418 /nfs/dbraw/zinc/21/64/18/132216418.db2.gz BCZBDOZTCYITJT-UHFFFAOYSA-N 0 0 356.813 3.755 50 30 FHEARN C=CCN1c2ccccc2S/C(=C/C(=O)N(CCC)CC2CC2)C1=O ZINC000022320939 132374011 /nfs/dbraw/zinc/37/40/11/132374011.db2.gz GIZKNVWDTMXSLH-QGOAFFKASA-N 0 0 356.491 3.844 50 30 FHEARN Cc1nc2cc(NC(=O)Nc3ccc(N4CCOCC4)cc3)ccc2o1 ZINC000000800365 132378521 /nfs/dbraw/zinc/37/85/21/132378521.db2.gz IPGSBPATPYTEIR-UHFFFAOYSA-N 0 0 352.394 3.630 50 30 FHEARN Cc1ccccc1OCc1nc(C#N)c(N2CCN(c3ccccc3)CC2)o1 ZINC000000934559 132379249 /nfs/dbraw/zinc/37/92/49/132379249.db2.gz OMUDXTLCZRBFDO-UHFFFAOYSA-N 0 0 374.444 3.760 50 30 FHEARN CN1CCN(c2nc(-c3ccccc3)nc(-c3ccc(F)cc3)c2C#N)CC1 ZINC000003104901 132384794 /nfs/dbraw/zinc/38/47/94/132384794.db2.gz QFHHIFJRXZPZTA-UHFFFAOYSA-N 0 0 373.435 3.573 50 30 FHEARN Cc1ccc(N2CCN(/N=C\c3cccc(Br)c3)CC2)cc1 ZINC000005052305 132826097 /nfs/dbraw/zinc/82/60/97/132826097.db2.gz OLTQQYWABJDNSX-ZHZULCJRSA-N 0 0 358.283 3.914 50 30 FHEARN C[C@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1cc2ccccc2o1 ZINC000024148038 132910349 /nfs/dbraw/zinc/91/03/49/132910349.db2.gz HXWRLNSXRKWJJC-HNNXBMFYSA-N 0 0 374.444 3.793 50 30 FHEARN N#Cc1ccc(N2CCC3(C[C@@H]3c3nnc(-c4ccccc4)o3)CC2)nc1 ZINC000071889485 136141390 /nfs/dbraw/zinc/14/13/90/136141390.db2.gz UOBBBXCVKVZZTK-QGZVFWFLSA-N 0 0 357.417 3.777 50 30 FHEARN C[S@@](=O)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C#N ZINC000004060076 263331121 /nfs/dbraw/zinc/33/11/21/263331121.db2.gz YYISMIRYLIQPGG-DEOSSOPVSA-N 0 0 352.337 3.567 50 30 FHEARN COc1cc(OC)cc(C(=O)O/N=C2/CCCc3cc(OC)c(C)cc32)c1 ZINC000005074044 263338684 /nfs/dbraw/zinc/33/86/84/263338684.db2.gz MIQAKUBNFTXNFO-QOCHGBHMSA-N 0 0 369.417 3.918 50 30 FHEARN C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)ONC(=N)c1ccccc1 ZINC000005065672 263338765 /nfs/dbraw/zinc/33/87/65/263338765.db2.gz OQPVTIGUMOYIEY-SNVBAGLBSA-N 0 0 353.205 3.624 50 30 FHEARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C\C(=O)OCC#N ZINC000006681417 263346429 /nfs/dbraw/zinc/34/64/29/263346429.db2.gz JKAPNJYONNASKC-SREVYHEPSA-N 0 0 350.205 3.627 50 30 FHEARN COc1ccc(-n2c(SCCC#N)nnc2-c2ccccc2OC)cc1 ZINC000006831429 263347518 /nfs/dbraw/zinc/34/75/18/263347518.db2.gz XMNMVRXQGKTOIL-UHFFFAOYSA-N 0 0 366.446 3.957 50 30 FHEARN Cc1nc(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)[nH]c1Cc1ccccc1 ZINC000009946757 263362971 /nfs/dbraw/zinc/36/29/71/263362971.db2.gz ZFDXFDLCDVTODK-MGPUTAFESA-N 0 0 370.522 3.844 50 30 FHEARN COc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1OC ZINC000022200049 263384783 /nfs/dbraw/zinc/38/47/83/263384783.db2.gz PVPMXVRPUSRNMX-HYARGMPZSA-N 0 0 373.884 3.509 50 30 FHEARN CCCCOc1ccc(CN=Nc2nc(CC(=O)OCC)cs2)cc1 ZINC000031850120 263392102 /nfs/dbraw/zinc/39/21/02/263392102.db2.gz VYGVSWWKFSEALP-UNOMPAQXSA-N 0 0 361.467 3.874 50 30 FHEARN Cc1nn(C)c(C)c1[C@H](C)N(C)C(=O)c1cccc(-c2ccc(C#N)nc2)c1 ZINC000426372117 263568210 /nfs/dbraw/zinc/56/82/10/263568210.db2.gz PQICWYLUTKHYSQ-HNNXBMFYSA-N 0 0 373.460 3.804 50 30 FHEARN C=C(C)CN(C)c1ccc(-c2nc(-c3cccc(OC)c3OC)no2)cn1 ZINC000039461195 518591315 /nfs/dbraw/zinc/59/13/15/518591315.db2.gz UFCPZUQSCOCXHP-UHFFFAOYSA-N 0 0 366.421 3.828 50 30 FHEARN C=CCN(Cc1ccc(C)s1)C(=O)c1sc2ncn(C)c(=O)c2c1C ZINC000055344028 518778695 /nfs/dbraw/zinc/77/86/95/518778695.db2.gz OKHJEIGYCYVUTH-UHFFFAOYSA-N 0 0 373.503 3.502 50 30 FHEARN C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)Cc1ccccc1 ZINC000007720740 518797333 /nfs/dbraw/zinc/79/73/33/518797333.db2.gz LTBKJYLPSMYPQB-UHFFFAOYSA-N 0 0 363.417 3.503 50 30 FHEARN C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1cccc(OC)c1 ZINC000007720499 518799736 /nfs/dbraw/zinc/79/97/36/518799736.db2.gz AQNCJEOOXUEFFQ-UHFFFAOYSA-N 0 0 363.417 3.882 50 30 FHEARN C=CCN1c2ccc(Cl)cc2[C@](O)(CC(=O)c2ccc(C)s2)C1=O ZINC000005429219 518875744 /nfs/dbraw/zinc/87/57/44/518875744.db2.gz ZZGQHBUDRJGRJI-GOSISDBHSA-N 0 0 361.850 3.703 50 30 FHEARN C=CCNC(=O)c1cccc(CN2CCN(c3ccc(C)c(C)c3)CC2)c1 ZINC000034668127 518937493 /nfs/dbraw/zinc/93/74/93/518937493.db2.gz CCUBGENYNWFUSA-UHFFFAOYSA-N 0 0 363.505 3.541 50 30 FHEARN C=CCOc1cccc(NC(=O)N2CCC3(CC2)CCC(=O)N(C)CC3)c1 ZINC000299764453 519055173 /nfs/dbraw/zinc/05/51/73/519055173.db2.gz ZWZHLRSCCSCUAK-UHFFFAOYSA-N 0 0 371.481 3.508 50 30 FHEARN C=CCc1ccc(OCCOCCOc2ccccc2C=O)c(OC)c1 ZINC000002985338 519138144 /nfs/dbraw/zinc/13/81/44/519138144.db2.gz SAEQSOFAKJPNMO-UHFFFAOYSA-N 0 0 356.418 3.711 50 30 FHEARN C=CCn1c(C)cc(C(=O)COC(=O)c2cc3ccc(OC)cc3[nH]2)c1C ZINC000040051739 519168881 /nfs/dbraw/zinc/16/88/81/519168881.db2.gz CZSPXZQYFYKTLB-UHFFFAOYSA-N 0 0 366.417 3.821 50 30 FHEARN C=CCn1c(C)nnc1S[C@@H](C)C(=O)N[C@@H](CCC)c1ccccc1 ZINC000032559449 519174854 /nfs/dbraw/zinc/17/48/54/519174854.db2.gz WQZOFLRECJYNJI-YOEHRIQHSA-N 0 0 358.511 3.911 50 30 FHEARN CC(C)N(C)c1ccc(N[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1F ZINC000060511128 519633779 /nfs/dbraw/zinc/63/37/79/519633779.db2.gz NJYFZOFQSLKIST-OAHLLOKOSA-N 0 0 360.477 3.813 50 30 FHEARN CC(C)[C@](C)(C#N)NC(=O)CSc1nc(C2CC2)nc2ccccc21 ZINC000010941384 519828990 /nfs/dbraw/zinc/82/89/90/519828990.db2.gz ZSJIVQIYWCKMPN-IBGZPJMESA-N 0 0 354.479 3.654 50 30 FHEARN CCCCCCCCCCn1c(=O)c2c(nc3oc(C)c(C)n32)n(C)c1=O ZINC000096019490 520027470 /nfs/dbraw/zinc/02/74/70/520027470.db2.gz QDHZNPDHUWBHQP-UHFFFAOYSA-N 0 0 374.485 3.698 50 30 FHEARN CCCCCCNC(=O)CC1S/C(=N\c2ccc(Cl)cc2)NC1=O ZINC000005826015 520084953 /nfs/dbraw/zinc/08/49/53/520084953.db2.gz KJENZKOMJGIPLH-CQSZACIVSA-N 0 0 367.902 3.646 50 30 FHEARN CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C ZINC000254612783 521231800 /nfs/dbraw/zinc/23/18/00/521231800.db2.gz XPJSYVSOPZVTNB-VAHRBOLPSA-N 0 0 360.494 3.811 50 30 FHEARN CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=[NH+]Cc1ccc(OC)cc1 ZINC000100113007 521325620 /nfs/dbraw/zinc/32/56/20/521325620.db2.gz LGGWGHPIMBJDPE-OEAKJJBVSA-N 0 0 367.424 3.885 50 30 FHEARN CCOC(=O)c1c(C)c(C(C)=[NH+][N-]c2cccc([N+](=O)[O-])c2)sc1N ZINC000004964965 521384709 /nfs/dbraw/zinc/38/47/09/521384709.db2.gz AXMFVWOSNRSQAO-ZDLGFXPLSA-N 0 0 362.411 3.560 50 30 FHEARN CCOc1ccccc1C=NN1C(=S)N=NC1c1ccc(OC)cc1 ZINC000239121090 521464460 /nfs/dbraw/zinc/46/44/60/521464460.db2.gz JHIGUZMADFUTLF-UHFFFAOYSA-N 0 0 354.435 3.523 50 30 FHEARN COc1cc(/C=C\C(=O)c2ccc3c(c2)OCCCO3)cc(OC)c1OC ZINC000096766088 521983080 /nfs/dbraw/zinc/98/30/80/521983080.db2.gz ZKXFLMJIWVSNEA-ALCCZGGFSA-N 0 0 370.401 3.770 50 30 FHEARN COc1cc(/C=N\NC(N)=S)ccc1OCc1cccc2ccccc21 ZINC000028616368 522006452 /nfs/dbraw/zinc/00/64/52/522006452.db2.gz CDXNIACEGIJFKF-UUYOSTAYSA-N 0 0 365.458 3.595 50 30 FHEARN COc1cc(C(=O)/C=C/c2cc(O)c(O)c(Cl)c2)cc(OC)c1OC ZINC000008705532 522050131 /nfs/dbraw/zinc/05/01/31/522050131.db2.gz SZJWKDVWKKBRNR-SNAWJCMRSA-N 0 0 364.781 3.673 50 30 FHEARN COc1ccc(-c2csc(N=NC(C)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000043761307 523159453 /nfs/dbraw/zinc/15/94/53/523159453.db2.gz DCQFDXXHQLXGAL-UDWIEESQSA-N 0 0 368.418 3.985 50 30 FHEARN COc1ccc(C(=O)[C@H]2CCCN(CC#Cc3ccccc3)C2)cc1OC ZINC000055344269 523780333 /nfs/dbraw/zinc/78/03/33/523780333.db2.gz OUYIWMCNHRBWGN-FQEVSTJZSA-N 0 0 363.457 3.650 50 30 FHEARN COc1ccc(N2CCN(C(=S)NCc3ccc(C)cc3)CC2)cc1 ZINC000013519858 524405234 /nfs/dbraw/zinc/40/52/34/524405234.db2.gz BGPJTNKTUDOAJJ-UHFFFAOYSA-N 0 0 355.507 3.612 50 30 FHEARN C[C@H](Cc1ccco1)N1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N ZINC000218518604 524743436 /nfs/dbraw/zinc/74/34/36/524743436.db2.gz RMYNHTNTNDZZBC-CYBMUJFWSA-N 0 0 365.458 3.546 50 30 FHEARN Cc1ccc(OCCOc2ccc(Cl)cc2/C=N/n2cnnc2)cc1 ZINC000002829594 525425553 /nfs/dbraw/zinc/42/55/53/525425553.db2.gz WYXGITFHDAJMTC-SSDVNMTOSA-N 0 0 356.813 3.580 50 30 FHEARN C=CCNC(=O)c1cccc(N2CCCN(Cc3ccccc3F)C2=O)c1 ZINC000033027767 534865402 /nfs/dbraw/zinc/86/54/02/534865402.db2.gz POXKUTGAZVHNRU-UHFFFAOYSA-N 0 0 367.424 3.574 50 30 FHEARN CSc1ccc(C=NN2C(=S)N=NC2COc2ccccc2)cc1 ZINC000001241292 525951213 /nfs/dbraw/zinc/95/12/13/525951213.db2.gz QZXSLDFWNCQGMP-WOJGMQOQSA-N 0 0 356.476 3.750 50 30 FHEARN Cc1cc(=N)n(C(=Nc2ccc(F)cc2)Nc2ccc(C#N)cc2)s1 ZINC000020344005 526099103 /nfs/dbraw/zinc/09/91/03/526099103.db2.gz FOSOVAMIYZBPIF-UHFFFAOYSA-N 0 0 351.410 3.996 50 30 FHEARN N#CC1(C(=O)NCc2cccnc2Oc2cccc(C(F)(F)F)c2)CC1 ZINC000067856246 526432082 /nfs/dbraw/zinc/43/20/82/526432082.db2.gz OXRGJSIFTOJHEH-UHFFFAOYSA-N 0 0 361.323 3.813 50 30 FHEARN N#CC1(C(=O)OCC(=O)NCC2(c3ccccc3)CCCC2)CCCCC1 ZINC000064203532 526432383 /nfs/dbraw/zinc/43/23/83/526432383.db2.gz XYLRTUZGBLQFFO-UHFFFAOYSA-N 0 0 368.477 3.632 50 30 FHEARN N#CC1(C(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)CCCC1 ZINC000055833701 526432539 /nfs/dbraw/zinc/43/25/39/526432539.db2.gz NFTIPDMVESEYGZ-UHFFFAOYSA-N 0 0 365.408 3.778 50 30 FHEARN N#CCCCSc1nnc(CN2CCCCC2)n1Cc1ccccc1 ZINC000057530346 526447561 /nfs/dbraw/zinc/44/75/61/526447561.db2.gz YKMVPJMYNJNFDO-UHFFFAOYSA-N 0 0 355.511 3.708 50 30 FHEARN N#CCCN(Cc1ccco1)C(=O)CSc1nc2cc(Cl)ccc2[nH]1 ZINC000014095726 526458065 /nfs/dbraw/zinc/45/80/65/526458065.db2.gz JQJIYSLZMBRGBW-UHFFFAOYSA-N 0 0 374.853 3.844 50 30 FHEARN N#CCSc1ccccc1NC(=O)CNc1c(F)cc(F)cc1F ZINC000072312407 526477267 /nfs/dbraw/zinc/47/72/67/526477267.db2.gz HECNXVSCGBIHTE-UHFFFAOYSA-N 0 0 351.353 3.770 50 30 FHEARN N#CCc1cccc(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000066686342 526485994 /nfs/dbraw/zinc/48/59/94/526485994.db2.gz OWXBVRYIIDRGQJ-GOSISDBHSA-N 0 0 358.800 3.759 50 30 FHEARN N#C[C@H](C(=O)c1cccc(NC(=O)C2CC2)c1)c1ccc(C(F)(F)F)cn1 ZINC000041555816 526508604 /nfs/dbraw/zinc/50/86/04/526508604.db2.gz JJJFYSHQEKEIBL-HNNXBMFYSA-N 0 0 373.334 3.939 50 30 FHEARN N#Cc1cccc(C(=O)N2CCC[C@@H](c3nccn3Cc3ccccc3)C2)c1 ZINC000082087237 526697845 /nfs/dbraw/zinc/69/78/45/526697845.db2.gz WSRFLMRIQIOYEX-OAQYLSRUSA-N 0 0 370.456 3.823 50 30 FHEARN O=C(CON=C1c2ccccc2-c2ccccc21)NCc1ccccc1F ZINC000024035899 526942611 /nfs/dbraw/zinc/94/26/11/526942611.db2.gz YNHZIGUWDHRZNP-UHFFFAOYSA-N 0 0 360.388 3.892 50 30 FHEARN O=[N+]([O-])c1ccccc1C=CC=NN1C(=S)N=NC1c1ccccc1F ZINC000002263458 527396208 /nfs/dbraw/zinc/39/62/08/527396208.db2.gz NJMIJFATLCHSHR-SPJXWURQSA-N 0 0 369.381 3.828 50 30 FHEARN CCCCCCCc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000059617071 534990044 /nfs/dbraw/zinc/99/00/44/534990044.db2.gz JRDWRMYBXSWHCN-UHFFFAOYSA-N 0 0 366.509 3.952 50 30 FHEARN CC(C)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 ZINC000002258744 535176114 /nfs/dbraw/zinc/17/61/14/535176114.db2.gz GEHYARGEFQJDRP-INIZCTEOSA-N 0 0 366.465 3.672 50 30 FHEARN COc1ccc(OC)c(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000001189946 536826521 /nfs/dbraw/zinc/82/65/21/536826521.db2.gz HPKFKJZMHQCMNS-KGENOOAVSA-N 0 0 359.857 3.513 50 30 FHEARN COc1ccccc1N1CCN(/N=C/c2cccc(Br)c2)CC1 ZINC000000946028 537063107 /nfs/dbraw/zinc/06/31/07/537063107.db2.gz OPUVRBNAQFAWOO-XSFVSMFZSA-N 0 0 374.282 3.614 50 30 FHEARN C=CCn1cnnc1S[C@@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000007634171 568247541 /nfs/dbraw/zinc/24/75/41/568247541.db2.gz AVUDCAHUELFKPP-NSHDSACASA-N 0 0 366.874 3.554 50 30 FHEARN COc1ccc(NN=C(C#N)C(=O)c2ccc(Br)cc2)cc1 ZINC000000704304 570451218 /nfs/dbraw/zinc/45/12/18/570451218.db2.gz MDRNRIQOKQWWNK-HKWRFOASSA-N 0 0 358.195 3.632 50 30 FHEARN COc1cc(C(=O)ON=C2C3CC4CC(C3)CC2C4)cc(OC)c1OC ZINC000001037256 570473588 /nfs/dbraw/zinc/47/35/88/570473588.db2.gz ZTVKGIDATOOGKP-UHFFFAOYSA-N 0 0 359.422 3.681 50 30 FHEARN CC(C)(C)NC(=S)N/N=C/c1coc2c(Cl)cc(Cl)cc2c1=O ZINC000001042687 570475814 /nfs/dbraw/zinc/47/58/14/570475814.db2.gz XEAOLDWHCRBEPN-NGYBGAFCSA-N 0 0 372.277 3.696 50 30 FHEARN CCOC(=O)c1cccc(NC=CC(=O)c2ccc(OC)c(OC)c2)c1 ZINC000001150419 570484353 /nfs/dbraw/zinc/48/43/53/570484353.db2.gz ZBOFMIDXABJJBH-ZHACJKMWSA-N 0 0 355.390 3.689 50 30 FHEARN S=C1N=NC(c2cccnc2)N1N=Cc1cccc(Cl)c1Cl ZINC000001302961 570496785 /nfs/dbraw/zinc/49/67/85/570496785.db2.gz ATCXQMACECSIOT-QGMBQPNBSA-N 0 0 350.234 3.818 50 30 FHEARN Cc1[nH]nc2c1[C@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2 ZINC000001386334 570498193 /nfs/dbraw/zinc/49/81/93/570498193.db2.gz BEOOLTINJRWUPV-KRWDZBQOSA-N 0 0 351.406 3.647 50 30 FHEARN CCCn1cc(-c2cc(-c3cnc(C(C)C)nc3)c(C#N)c(N)n2)c(C)n1 ZINC000071758776 570511867 /nfs/dbraw/zinc/51/18/67/570511867.db2.gz MBDUZDNWEMIAKF-UHFFFAOYSA-N 0 0 361.453 3.698 50 30 FHEARN N#Cc1ccccc1-c1ccc(CN2Cc3ccccc3C[C@H]2C(N)=O)cc1 ZINC000014197019 570518740 /nfs/dbraw/zinc/51/87/40/570518740.db2.gz RTWPNRBWHXVGFH-QHCPKHFHSA-N 0 0 367.452 3.637 50 30 FHEARN Cc1ccc(N2C(=O)[C@](O)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1C ZINC000002385248 570520432 /nfs/dbraw/zinc/52/04/32/570520432.db2.gz JDRBLAJQKDGRAV-SFHVURJKSA-N 0 0 367.367 3.587 50 30 FHEARN COc1ccc(NC(=S)N/N=C/c2c(O)ccc3ccccc32)cc1 ZINC000002506439 570522720 /nfs/dbraw/zinc/52/27/20/570522720.db2.gz LSHZRKICINSQTN-UDWIEESQSA-N 0 0 351.431 3.875 50 30 FHEARN Fc1ccc(NC(=S)N/N=C/c2ccccc2Br)cc1 ZINC000002506405 570522747 /nfs/dbraw/zinc/52/27/47/570522747.db2.gz AGUHNOILNMOQIZ-RQZCQDPDSA-N 0 0 352.232 3.909 50 30 FHEARN O[C@@H](c1ccccc1)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000002592855 570526150 /nfs/dbraw/zinc/52/61/50/570526150.db2.gz DCYBJXGGLMLHFT-WRWORJQWSA-N 0 0 354.168 3.915 50 30 FHEARN Cn1c2ccccc2nc1[C@@H](C#N)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000003091326 570551364 /nfs/dbraw/zinc/55/13/64/570551364.db2.gz YUUXBOGKYUNAHL-LBPRGKRZSA-N 0 0 354.753 3.625 50 30 FHEARN CCOC(=O)Cn1cc(C=NNc2nc3ccccc3[nH]2)c2ccccc21 ZINC000003908687 570571871 /nfs/dbraw/zinc/57/18/71/570571871.db2.gz VTCXLDVCIWGQRK-SRZZPIQSSA-N 0 0 361.405 3.527 50 30 FHEARN C=CCNc1nc(C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCC3)cs1 ZINC000005040208 570578323 /nfs/dbraw/zinc/57/83/23/570578323.db2.gz VJQYIJHWFFPXCE-LBPRGKRZSA-N 0 0 356.447 3.658 50 30 FHEARN C[C@H](Cc1ccsc1)NC(=O)N1CCC(C#N)(c2ccccc2)CC1 ZINC000426488192 570608751 /nfs/dbraw/zinc/60/87/51/570608751.db2.gz JJARGLAAWRQQPA-MRXNPFEDSA-N 0 0 353.491 3.946 50 30 FHEARN C[C@@H](CCC#C[Si](C)(C)C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1 ZINC000169835883 570633151 /nfs/dbraw/zinc/63/31/51/570633151.db2.gz LETWSMSIGMNLOH-WMZOPIPTSA-N 0 0 357.526 3.874 50 30 FHEARN N#C[C@H](C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCCC1 ZINC000002391012 570648457 /nfs/dbraw/zinc/64/84/57/570648457.db2.gz HOWRUNZNHCBFHH-INIZCTEOSA-N 0 0 364.449 3.713 50 30 FHEARN COc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ncnn32)c1 ZINC000005322110 570648702 /nfs/dbraw/zinc/64/87/02/570648702.db2.gz JJYHGVIIUKYWCJ-HRAATJIYSA-N 0 0 372.428 3.702 50 30 FHEARN Cc1csc(C(=O)N2CCC(COCc3ccc(C#N)cc3)CC2)c1 ZINC000206599624 570650500 /nfs/dbraw/zinc/65/05/00/570650500.db2.gz CFQZSQAMMBSXGF-UHFFFAOYSA-N 0 0 354.475 3.997 50 30 FHEARN COc1cc(C#N)ccc1O[C@H](C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000005429898 570655415 /nfs/dbraw/zinc/65/54/15/570655415.db2.gz NDFIDJFNGKDWPE-KDOFPFPSSA-N 0 0 350.418 3.528 50 30 FHEARN CNC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc2c1CCCCC2 ZINC000005055776 570676851 /nfs/dbraw/zinc/67/68/51/570676851.db2.gz HYXJBFMIQHWIIW-UHFFFAOYSA-N 0 0 353.447 3.501 50 30 FHEARN COc1ccc(CCN2C(=O)CSC2=Nc2ccccc2)cc1OC ZINC000097402285 570682491 /nfs/dbraw/zinc/68/24/91/570682491.db2.gz MKMUIALLRJEONL-UHFFFAOYSA-N 0 0 356.447 3.509 50 30 FHEARN C=CCN(CC=C)C(=O)CSc1nnc(-c2cccc(C)c2)n1CC=C ZINC000004355081 570754900 /nfs/dbraw/zinc/75/49/00/570754900.db2.gz VRLZJVPGGDSRQH-UHFFFAOYSA-N 0 0 368.506 3.732 50 30 FHEARN COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N[C@H](C)c1cccs1 ZINC000013155168 570775019 /nfs/dbraw/zinc/77/50/19/570775019.db2.gz HTJLKTJOXUJGRF-NEPJUHHUSA-N 0 0 352.419 3.645 50 30 FHEARN CN(C(=O)COc1ccccc1Br)C1(C#N)CCCCC1 ZINC000014197949 570812224 /nfs/dbraw/zinc/81/22/24/570812224.db2.gz MDYBAIQDTWWOBZ-UHFFFAOYSA-N 0 0 351.244 3.513 50 30 FHEARN C=CCN(Cc1ccc(Cl)s1)C[C@@H](O)COc1ccc(C#N)cc1 ZINC000032843112 570820483 /nfs/dbraw/zinc/82/04/83/570820483.db2.gz HULGDGJSLQOIQH-OAHLLOKOSA-N 0 0 362.882 3.701 50 30 FHEARN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2ccc(O)c(O)c2)S1 ZINC000015016567 570829588 /nfs/dbraw/zinc/82/95/88/570829588.db2.gz IEEVDKUPTDQKPA-NVNXTCNLSA-N 0 0 360.822 3.951 50 30 FHEARN C=CCN(Cc1ccc(Cl)s1)C(=O)c1cn(Cc2ccccc2)nn1 ZINC000024501090 570850080 /nfs/dbraw/zinc/85/00/80/570850080.db2.gz CSOPPBJMCSQXLE-UHFFFAOYSA-N 0 0 372.881 3.870 50 30 FHEARN N#C[C@@H](C(=O)C=Cc1nccs1)C(=O)Nc1cccc(Cl)c1Cl ZINC000104095897 570856826 /nfs/dbraw/zinc/85/68/26/570856826.db2.gz QFLBIJAMDAKFMA-MOVJSRMASA-N 0 0 366.229 3.811 50 30 FHEARN Cc1ccc(NC(=O)[C@H]2CC(=O)N/C(=N/c3ccccc3)S2)cc1C ZINC000017159763 570869942 /nfs/dbraw/zinc/86/99/42/570869942.db2.gz JNAJAEHSVDGVRL-MRXNPFEDSA-N 0 0 353.447 3.551 50 30 FHEARN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccc(O)cc1)c1ccccc1 ZINC000018125829 570875798 /nfs/dbraw/zinc/87/57/98/570875798.db2.gz LEAQTHKJEHODOF-IBGZPJMESA-N 0 0 372.380 3.570 50 30 FHEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1[N+](=O)[O-] ZINC000019638831 570896178 /nfs/dbraw/zinc/89/61/78/570896178.db2.gz OHPHPQGVFJPTGQ-QGZVFWFLSA-N 0 0 370.405 3.516 50 30 FHEARN C/C(=N/N1CCN(Cc2ccccc2Cl)CC1)c1cccc([N+](=O)[O-])c1 ZINC000019790568 570902919 /nfs/dbraw/zinc/90/29/19/570902919.db2.gz XABNGEVEAXMMPW-QNGOZBTKSA-N 0 0 372.856 3.790 50 30 FHEARN COc1ccc(C(=O)N=C(NCc2ccncc2)Nc2cccc(C)c2)cc1 ZINC000045940252 570915218 /nfs/dbraw/zinc/91/52/18/570915218.db2.gz QBRDZXCQMIOAGB-UHFFFAOYSA-N 0 0 374.444 3.797 50 30 FHEARN CCOc1ccccc1NC(=NC(=O)c1ccccc1)NCc1ccncc1 ZINC000045939969 570915278 /nfs/dbraw/zinc/91/52/78/570915278.db2.gz GJIGAHXDQCZDJE-UHFFFAOYSA-N 0 0 374.444 3.878 50 30 FHEARN C=CCn1c2ccc(NS(=O)(=O)c3cc(C)cc(C)c3)cc2sc1=O ZINC000046017741 570919741 /nfs/dbraw/zinc/91/97/41/570919741.db2.gz BEWLOLQPEAKYBK-UHFFFAOYSA-N 0 0 374.487 3.667 50 30 FHEARN Cc1cccc(NC(=NC(=O)c2ccc(F)cc2)NCc2ccccn2)c1 ZINC000046125830 570926620 /nfs/dbraw/zinc/92/66/20/570926620.db2.gz SZHYKTHUTZBYGK-UHFFFAOYSA-N 0 0 362.408 3.927 50 30 FHEARN COc1ccc(C)cc1NC(=NC(=O)c1ccccc1)NCc1cccnc1 ZINC000046128330 570927679 /nfs/dbraw/zinc/92/76/79/570927679.db2.gz RWMVBENLHCREOR-UHFFFAOYSA-N 0 0 374.444 3.797 50 30 FHEARN CCc1cccc(NC(=NC(=O)c2ccc(F)cc2)NC[C@H]2CCCO2)c1 ZINC000046130774 570928466 /nfs/dbraw/zinc/92/84/66/570928466.db2.gz KWRNIWJOENTCDK-LJQANCHMSA-N 0 0 369.440 3.765 50 30 FHEARN CCc1ccc(NC(=NC(=O)c2ccccc2)NC[C@@H]2CCCO2)cc1 ZINC000046133351 570928875 /nfs/dbraw/zinc/92/88/75/570928875.db2.gz HJUKYLMHXDNZAC-IBGZPJMESA-N 0 0 351.450 3.626 50 30 FHEARN CC(C)N(C[C@@H]1CCCN(c2ncccc2C#N)C1)C(=O)OC(C)(C)C ZINC000048271538 570939551 /nfs/dbraw/zinc/93/95/51/570939551.db2.gz IGGIUZLBQHEBCX-MRXNPFEDSA-N 0 0 358.486 3.815 50 30 FHEARN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCCc2ccccc21 ZINC000024678504 570979685 /nfs/dbraw/zinc/97/96/85/570979685.db2.gz YYHBNDPAHCVBQJ-KRWDZBQOSA-N 0 0 354.413 3.676 50 30 FHEARN C#CCN(Cc1nc2c3ccccc3oc2c(=O)[nH]1)[C@@H]1CCc2ccccc21 ZINC000052845824 571045204 /nfs/dbraw/zinc/04/52/04/571045204.db2.gz ACNUNXDGGOLADL-GOSISDBHSA-N 0 0 369.424 3.792 50 30 FHEARN C=CCOc1ccc(CN2CCC[C@H]2c2nonc2C)c(OCC=C)c1 ZINC000055341379 571058513 /nfs/dbraw/zinc/05/85/13/571058513.db2.gz ATHUMBJOJZGNIF-SFHVURJKSA-N 0 0 355.438 3.845 50 30 FHEARN C=CCn1c(SCCCOC)nc2sc3c(c2c1=O)CCCC3 ZINC000058154377 571062791 /nfs/dbraw/zinc/06/27/91/571062791.db2.gz ACMUVMFDXMAAKU-UHFFFAOYSA-N 0 0 350.509 3.651 50 30 FHEARN C=CCNC(=O)C1(NC(=O)Cc2ccc3ccccc3c2)CCCCC1 ZINC000058309152 571063078 /nfs/dbraw/zinc/06/30/78/571063078.db2.gz ZWQAZHHUPGKJMM-UHFFFAOYSA-N 0 0 350.462 3.504 50 30 FHEARN CC(=O)c1nn(-c2ccc(Br)cc2)c(-c2ccco2)c1C#N ZINC000039930029 571066169 /nfs/dbraw/zinc/06/61/69/571066169.db2.gz HXCUVXNOPAIGSY-UHFFFAOYSA-N 0 0 356.179 3.969 50 30 FHEARN C=CCn1cc(CN2CC(=O)Nc3ccccc3[C@@H]2c2ccccc2)c(C)n1 ZINC000063872391 571071931 /nfs/dbraw/zinc/07/19/31/571071931.db2.gz IXDVMJLUYLVLSX-QHCPKHFHSA-N 0 0 372.472 3.921 50 30 FHEARN C=CCn1cc([C@@H]2C[C@H](NC(=O)c3ccccc3)C[C@H](CC)O2)c(C)n1 ZINC000065373360 571073841 /nfs/dbraw/zinc/07/38/41/571073841.db2.gz MEMUMTMSHXLJLY-HBFSDRIKSA-N 0 0 353.466 3.806 50 30 FHEARN C=CCN(Cc1ccccc1Cl)C(=O)c1cc2c(n(C)c1=O)CCCC2 ZINC000065417268 571074189 /nfs/dbraw/zinc/07/41/89/571074189.db2.gz YVRKPEHNYQUAED-UHFFFAOYSA-N 0 0 370.880 3.746 50 30 FHEARN C=CCOc1ccc(CN(C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 ZINC000040095089 571075514 /nfs/dbraw/zinc/07/55/14/571075514.db2.gz OKDPUPVVYUWPIP-UHFFFAOYSA-N 0 0 371.393 3.832 50 30 FHEARN COc1ccccc1C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000040106917 571077858 /nfs/dbraw/zinc/07/78/58/571077858.db2.gz DCVRHEIBGYURAT-UHFFFAOYSA-N 0 0 350.296 3.760 50 30 FHEARN N#Cc1cccc(NC(=O)c2nn(-c3ccc(F)c(F)c3)c3c2CCC3)c1 ZINC000040140263 571083739 /nfs/dbraw/zinc/08/37/39/571083739.db2.gz TYFUEMYTPIPOHG-UHFFFAOYSA-N 0 0 364.355 3.763 50 30 FHEARN CCOc1cc(C=NN2C(=S)N=NC2c2ccccc2)ccc1OC ZINC000245284950 571096705 /nfs/dbraw/zinc/09/67/05/571096705.db2.gz VFXMAEAQXJGBRP-UHFFFAOYSA-N 0 0 354.435 3.523 50 30 FHEARN CCN(Cc1ccc(C#N)cc1F)C(=O)c1cncn1-c1ccc(F)cc1 ZINC000084777469 571099660 /nfs/dbraw/zinc/09/96/60/571099660.db2.gz DISWOQSTYXIESB-UHFFFAOYSA-N 0 0 366.371 3.684 50 30 FHEARN C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2 ZINC000004911493 571102382 /nfs/dbraw/zinc/10/23/82/571102382.db2.gz XDGLSSKVLQYWOS-CQSZACIVSA-N 0 0 369.417 3.596 50 30 FHEARN CC(C)(O)C#Cc1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)o1 ZINC000004701014 571102486 /nfs/dbraw/zinc/10/24/86/571102486.db2.gz POPJITKTVCXPTE-UHFFFAOYSA-N 0 0 373.452 3.964 50 30 FHEARN O=C1c2ccc(OS(=O)(=O)c3ccccc3)cc2O/C1=C\c1ccco1 ZINC000009419178 571108373 /nfs/dbraw/zinc/10/83/73/571108373.db2.gz FOQHNJNTXOWWFU-WQRHYEAKSA-N 0 0 368.366 3.664 50 30 FHEARN C#CCN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O ZINC000004603632 571108627 /nfs/dbraw/zinc/10/86/27/571108627.db2.gz ISLADKMLDMQIBY-MHWRWJLKSA-N 0 0 368.370 3.833 50 30 FHEARN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccco1 ZINC000009513846 571111662 /nfs/dbraw/zinc/11/16/62/571111662.db2.gz BGDYMKDNNGLDQF-ZDUSSCGKSA-N 0 0 357.479 3.941 50 30 FHEARN O=C1N/C(=N\c2ccccn2)S[C@@H]1Cc1cc(Cl)ccc1Cl ZINC000001453115 571113790 /nfs/dbraw/zinc/11/37/90/571113790.db2.gz LJBNPTDSLKODJY-GFCCVEGCSA-N 0 0 352.246 3.850 50 30 FHEARN C=CCN1C(=O)/C(=C\c2ccc(F)c(Br)c2)SC1=S ZINC000012343669 571117997 /nfs/dbraw/zinc/11/79/97/571117997.db2.gz VGAXZUNCOYZVIE-YRNVUSSQSA-N 0 0 358.257 3.975 50 30 FHEARN C=C(C)CN(CC)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 ZINC000012796741 571118708 /nfs/dbraw/zinc/11/87/08/571118708.db2.gz CNNRYLAGPMGWKV-UHFFFAOYSA-N 0 0 372.490 3.550 50 30 FHEARN Cc1nc(N)sc1-c1cc(-c2ccccc2OC(F)F)c(C#N)c(N)n1 ZINC000071415746 571119913 /nfs/dbraw/zinc/11/99/13/571119913.db2.gz DXWFSCYPJDKSMF-UHFFFAOYSA-N 0 0 373.388 3.818 50 30 FHEARN C=C(C)Cn1c2sc3c(c2c2nc(-c4ccco4)nn2c1=O)CCCC3 ZINC000013726758 571120247 /nfs/dbraw/zinc/12/02/47/571120247.db2.gz GPCJOEXZBPSTAL-UHFFFAOYSA-N 0 0 366.446 3.821 50 30 FHEARN C=C(C)Cn1c2sc3c(c2c2nc(-c4ccccc4)nn2c1=O)CCC3 ZINC000013723611 571120356 /nfs/dbraw/zinc/12/03/56/571120356.db2.gz BJAZYCNJUCESKD-UHFFFAOYSA-N 0 0 362.458 3.838 50 30 FHEARN Cc1sc(NC(=O)CSc2nc(C)cc(C)c2C#N)c(C#N)c1C ZINC000000888429 571121390 /nfs/dbraw/zinc/12/13/90/571121390.db2.gz YCDZHPCVBQRQGB-UHFFFAOYSA-N 0 0 356.476 3.851 50 30 FHEARN C=CCn1nc(SC)n2c1nc1c(c2=O)[C@@](C)(CC)Cc2ccccc2-1 ZINC000015839096 571122382 /nfs/dbraw/zinc/12/23/82/571122382.db2.gz KSKNRCJLLMEWGX-FQEVSTJZSA-N 0 0 366.490 3.690 50 30 FHEARN C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1 ZINC000001298352 571123741 /nfs/dbraw/zinc/12/37/41/571123741.db2.gz LQURXTMSHVPTAA-UHFFFAOYSA-N 0 0 367.430 3.517 50 30 FHEARN N#Cc1cc(NS(=O)(=O)c2cccc(Br)c2)ccc1Cl ZINC000010514909 571127885 /nfs/dbraw/zinc/12/78/85/571127885.db2.gz SJEDLEWSLRBQMG-UHFFFAOYSA-N 0 0 371.643 3.775 50 30 FHEARN N#CC1(c2ccccc2)CCN(Cc2nnc(-c3cccc(F)c3)o2)CC1 ZINC000252482894 571131795 /nfs/dbraw/zinc/13/17/95/571131795.db2.gz DPWHXBXNODFNOA-UHFFFAOYSA-N 0 0 362.408 3.933 50 30 FHEARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@@H]2c2cccc(Br)c2)C1 ZINC000000950986 571140322 /nfs/dbraw/zinc/14/03/22/571140322.db2.gz JSDOIEUVUDPTFA-OAHLLOKOSA-N 0 0 373.254 3.699 50 30 FHEARN C=CCOc1ccc(C(=O)Nc2ccc(F)cc2)nc1Br ZINC000019872934 571141019 /nfs/dbraw/zinc/14/10/19/571141019.db2.gz SHRDQZLRVOUDJM-UHFFFAOYSA-N 0 0 351.175 3.800 50 30 FHEARN Cc1cc(N[C@H](CO)Cc2ccccc2)n2c3ccccc3nc2c1C#N ZINC000078495454 571141529 /nfs/dbraw/zinc/14/15/29/571141529.db2.gz KFGYWVIUGOYVBL-KRWDZBQOSA-N 0 0 356.429 3.683 50 30 FHEARN C=CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1ncccn1 ZINC000020719927 571141570 /nfs/dbraw/zinc/14/15/70/571141570.db2.gz SLJWGISPWAQIPC-OAHLLOKOSA-N 0 0 361.405 3.659 50 30 FHEARN N#Cc1cccc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c1 ZINC000012888214 571142226 /nfs/dbraw/zinc/14/22/26/571142226.db2.gz GXNREGOGDVDFLJ-UHFFFAOYSA-N 0 0 360.442 3.830 50 30 FHEARN N#Cc1ccc(N2CCC(C(=O)Nc3cc(Cl)ccc3F)CC2)nc1 ZINC000025309769 571143660 /nfs/dbraw/zinc/14/36/60/571143660.db2.gz WMXBMSBTQWGXFU-UHFFFAOYSA-N 0 0 358.804 3.601 50 30 FHEARN N#Cc1ccccc1OCC(=O)Nc1nc(-c2cccc(F)c2)cs1 ZINC000025321986 571143769 /nfs/dbraw/zinc/14/37/69/571143769.db2.gz NVTSBIPDSGPRHV-UHFFFAOYSA-N 0 0 353.378 3.838 50 30 FHEARN N#Cc1c(Cl)nsc1NCc1nn(-c2ccccc2)c2c1CCC2 ZINC000052473856 571145648 /nfs/dbraw/zinc/14/56/48/571145648.db2.gz OJLFVLYKLRRFNF-UHFFFAOYSA-N 0 0 355.854 3.955 50 30 FHEARN O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc2ccccc2oc1=O ZINC000024506851 571147976 /nfs/dbraw/zinc/14/79/76/571147976.db2.gz QCKIISBNIZHTDG-UHFFFAOYSA-N 0 0 371.314 3.593 50 30 FHEARN C=CCNc1nc(C(=O)O[C@H](C)c2nnc(-c3ccccc3)o2)cs1 ZINC000026098485 571148909 /nfs/dbraw/zinc/14/89/09/571148909.db2.gz MUEIUDRCAPIHCE-LLVKDONJSA-N 0 0 356.407 3.709 50 30 FHEARN COC(=O)/C=C1\CC[C@@H]2[C@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]12C ZINC000257358074 571163674 /nfs/dbraw/zinc/16/36/74/571163674.db2.gz RMDJMPHXGCYQJX-VQTYRIRESA-N 0 0 374.452 3.745 50 30 FHEARN CCOc1ccc2c(c1)O/C(=C\c1cc(OC)c(OC)cc1OC)C2=O ZINC000005900640 571167796 /nfs/dbraw/zinc/16/77/96/571167796.db2.gz GKPSGHCYICHSPA-OCKHKDLRSA-N 0 0 356.374 3.727 50 30 biogenic FHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc([N+](=O)[O-])cc1F ZINC000063446878 571170178 /nfs/dbraw/zinc/17/01/78/571170178.db2.gz AHUCRWJUGAZMCB-UHFFFAOYSA-N 0 0 354.297 3.550 50 30 FHEARN C=CCNC(=O)c1ccc(C)c(NC(=O)c2nsc3ccccc32)c1 ZINC000035447638 571170478 /nfs/dbraw/zinc/17/04/78/571170478.db2.gz VRMQACBMTVHNKV-UHFFFAOYSA-N 0 0 351.431 3.773 50 30 FHEARN C#Cc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 ZINC000012536824 571176106 /nfs/dbraw/zinc/17/61/06/571176106.db2.gz HNZRDVGUAHVAMQ-UHFFFAOYSA-N 0 0 352.393 3.775 50 30 FHEARN CC(=O)N1CCc2cc(C(=O)[C@@H](C)Oc3ccc(C#N)cc3Cl)ccc21 ZINC000013024247 571189840 /nfs/dbraw/zinc/18/98/40/571189840.db2.gz TWQDKYGAILCHJW-GFCCVEGCSA-N 0 0 368.820 3.771 50 30 FHEARN CC(C)Cn1c(Sc2cnc(C#N)cn2)nnc1-c1ccccc1F ZINC000120972927 571191546 /nfs/dbraw/zinc/19/15/46/571191546.db2.gz ZFAFDAYCZBQSKR-UHFFFAOYSA-N 0 0 354.414 3.553 50 30 FHEARN N#Cc1ccc(COC(=O)c2ccc(I)cc2)cc1 ZINC000003555973 571206155 /nfs/dbraw/zinc/20/61/55/571206155.db2.gz ABHOBGZDHIRFTJ-UHFFFAOYSA-N 0 0 363.154 3.520 50 30 FHEARN COc1nc(C)c(-c2ccc(C(=O)N3CCC[C@@H](C#N)C3)cc2)c(C)c1C#N ZINC000534631164 571206694 /nfs/dbraw/zinc/20/66/94/571206694.db2.gz QZRDOYQHQSPRQX-INIZCTEOSA-N 0 0 374.444 3.622 50 30 FHEARN O=C(CNC(=O)N1CCC[C@H]1c1ccsc1)N1CCCc2ccccc21 ZINC000328816461 571218309 /nfs/dbraw/zinc/21/83/09/571218309.db2.gz ORFLCMAJXANBHI-SFHVURJKSA-N 0 0 369.490 3.778 50 30 FHEARN Cn1ccnc1-c1cccc(C(=O)N2CCC(C#N)(c3ccccc3)CC2)c1 ZINC000426531584 571230587 /nfs/dbraw/zinc/23/05/87/571230587.db2.gz KQQDRADPELNFKY-UHFFFAOYSA-N 0 0 370.456 3.785 50 30 FHEARN C=CCN1C[C@@H](C)N(C(=O)c2cccc(-c3ccccc3CO)c2)C[C@H]1C ZINC000426690276 571235461 /nfs/dbraw/zinc/23/54/61/571235461.db2.gz KCHYYSXVAGJVKS-QZTJIDSGSA-N 0 0 364.489 3.567 50 30 FHEARN COc1ccccc1-c1noc([C@H]2CCCN2C(=O)c2ccc(C#N)cc2)n1 ZINC000064747241 571240491 /nfs/dbraw/zinc/24/04/91/571240491.db2.gz IMTHYFCLWZJWFA-QGZVFWFLSA-N 0 0 374.400 3.594 50 30 FHEARN Cc1nc2cc(-c3noc(-c4ccc(C#N)cc4)n3)ccc2n(C(C)C)c1=O ZINC000064890373 571245743 /nfs/dbraw/zinc/24/57/43/571245743.db2.gz QQBRLZOTQSLDKD-UHFFFAOYSA-N 0 0 371.400 3.875 50 30 FHEARN CN1c2cc(C(=O)Nc3cccc(C#N)c3)ccc2C(=O)N2CCCCC[C@@H]12 ZINC000169766088 571252540 /nfs/dbraw/zinc/25/25/40/571252540.db2.gz LCMYGPDNUNYQGC-FQEVSTJZSA-N 0 0 374.444 3.603 50 30 FHEARN C=CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 ZINC000006892755 571253699 /nfs/dbraw/zinc/25/36/99/571253699.db2.gz YXEFYCQKTITXPK-ZDUSSCGKSA-N 0 0 374.487 3.501 50 30 FHEARN CN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000007211762 571263157 /nfs/dbraw/zinc/26/31/57/571263157.db2.gz HRIRRDGAAXGQMU-UHFFFAOYSA-N 0 0 362.454 3.968 50 30 FHEARN Cc1nc(CC(N)=NOCc2csc(C3CCCCC3)n2)cs1 ZINC000065497104 571264111 /nfs/dbraw/zinc/26/41/11/571264111.db2.gz MPSJISDINJFIBM-UHFFFAOYSA-N 0 0 350.513 3.987 50 30 FHEARN C=CC[C@H](NC(=O)Cc1csc2ccc(Cl)cc12)C(=O)OCC ZINC000170594731 571266438 /nfs/dbraw/zinc/26/64/38/571266438.db2.gz FSQISKOYJMEOFU-AWEZNQCLSA-N 0 0 351.855 3.721 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccc(OC)cc1OC ZINC000170618284 571268556 /nfs/dbraw/zinc/26/85/56/571268556.db2.gz VPFMWHCANMIGOM-JXFKEZNVSA-N 0 0 370.401 3.616 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccc(OC)cc1OC ZINC000170618283 571268566 /nfs/dbraw/zinc/26/85/66/571268566.db2.gz VPFMWHCANMIGOM-OXJNMPFZSA-N 0 0 370.401 3.616 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1cc(OC)cc(OC)c1 ZINC000170618290 571268610 /nfs/dbraw/zinc/26/86/10/571268610.db2.gz ZHORSRSJWUTTPD-XLIONFOSSA-N 0 0 370.401 3.616 50 30 FHEARN NC(=NOCc1nnc(-c2ccccc2C(F)(F)F)o1)C1CCCC1 ZINC000071817042 571270498 /nfs/dbraw/zinc/27/04/98/571270498.db2.gz WQRDIIRHXLHSOG-UHFFFAOYSA-N 0 0 354.332 3.734 50 30 FHEARN CN(CCO)c1ccc(C=NN=C(c2ccccc2)c2ccccc2)cc1 ZINC000252467510 571279273 /nfs/dbraw/zinc/27/92/73/571279273.db2.gz OZHBMRCMNBTGBJ-UHFFFAOYSA-N 0 0 357.457 3.987 50 30 FHEARN O=C1N/C(=N\c2ccccc2Br)S/C1=C\c1cccnc1 ZINC000002195868 571283729 /nfs/dbraw/zinc/28/37/29/571283729.db2.gz RHOJBZSWTQCSGF-JYRVWZFOSA-N 0 0 360.236 3.736 50 30 FHEARN C=CCn1cnnc1S[C@@H](C)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000007634120 571284988 /nfs/dbraw/zinc/28/49/88/571284988.db2.gz COFQMPSPWUBTHR-JTQLQIEISA-N 0 0 370.450 3.898 50 30 FHEARN O=c1c2ccccc2nc(COc2ccccc2)n1N=Cc1ccccc1O ZINC000252627903 571289141 /nfs/dbraw/zinc/28/91/41/571289141.db2.gz SDSDLMYECOVHLV-UHFFFAOYSA-N 0 0 371.396 3.563 50 30 FHEARN COc1ccc(OC)c(CN=Nc2nc(-c3ccc(O)cc3)cs2)c1 ZINC000252638377 571291553 /nfs/dbraw/zinc/29/15/53/571291553.db2.gz YBQVACAQDCTRCQ-UHFFFAOYSA-N 0 0 355.419 3.979 50 30 FHEARN C=CCC1(CC=C)C[C@H](O)[C@H]2[C@@H](CC=C3CC4(CC[C@@]32C)OCCO4)C1=O ZINC000032105545 571308500 /nfs/dbraw/zinc/30/85/00/571308500.db2.gz QHQOIHNSBHTJLJ-HDAAZOAOSA-N 0 0 372.505 3.955 50 30 FHEARN CC(=O)O[C@H]1C[C@@](C)(OC(C)=O)[C@H](CC=O)[C@@]2(C)CCCC(C)(C)[C@H]12 ZINC000036423485 571311321 /nfs/dbraw/zinc/31/13/21/571311321.db2.gz DSIOPRIXKMWSGV-YQXATGRUSA-N 0 0 352.471 3.681 50 30 FHEARN N#Cc1cc2c(nc1SCCS(=O)(=O)Cc1ccccc1)CCCC2 ZINC000000676664 571319091 /nfs/dbraw/zinc/31/90/91/571319091.db2.gz LRVZMWVRHWRLOP-UHFFFAOYSA-N 0 0 372.515 3.539 50 30 FHEARN CCN(CC)C(=O)c1sc(NC(=O)c2ccccc2F)c(C#N)c1C ZINC000000711836 571319128 /nfs/dbraw/zinc/31/91/28/571319128.db2.gz BWHBMHQXPYYWOT-UHFFFAOYSA-N 0 0 359.426 3.802 50 30 FHEARN N#Cc1ccc([C@H]2c3[nH]cnc3CCN2Cc2ccc3ccccc3n2)cc1 ZINC000072477437 571319142 /nfs/dbraw/zinc/31/91/42/571319142.db2.gz YULSRFNZYGOROM-QHCPKHFHSA-N 0 0 365.440 3.977 50 30 FHEARN Cc1ccc(OC[C@@H]2CCCN(C(=O)c3cc(F)cc(C#N)c3)C2)cc1 ZINC000077323874 571321003 /nfs/dbraw/zinc/32/10/03/571321003.db2.gz UJCYCFXPFGZAGX-MRXNPFEDSA-N 0 0 352.409 3.937 50 30 FHEARN N#Cc1ccc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000009263018 571321141 /nfs/dbraw/zinc/32/11/41/571321141.db2.gz FNTVVBMRRYXKRL-CXUHLZMHSA-N 0 0 365.370 3.703 50 30 FHEARN O=C(C=Cc1ccccc1)C[C@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21 ZINC000002412579 571321659 /nfs/dbraw/zinc/32/16/59/571321659.db2.gz GHXRGSAUNOTDED-IPLHWJFFSA-N 0 0 362.212 3.806 50 30 FHEARN COc1ccc(-c2cc(-c3cnn(C(C)C)c3)c(C#N)c(N)n2)cc1OC ZINC000067473208 571321741 /nfs/dbraw/zinc/32/17/41/571321741.db2.gz IYSZDXKBQFXIGJ-UHFFFAOYSA-N 0 0 363.421 3.664 50 30 FHEARN COc1ccc(-c2n[nH]cc2-c2cc(C(C)C)nc(N)c2C#N)cc1OC ZINC000067881586 571321933 /nfs/dbraw/zinc/32/19/33/571321933.db2.gz YRIUPCKPOBASNR-UHFFFAOYSA-N 0 0 363.421 3.733 50 30 FHEARN O=C1N/C(=N\c2cccc(Br)c2)S/C1=C\c1cccnc1 ZINC000002429894 571321956 /nfs/dbraw/zinc/32/19/56/571321956.db2.gz DZSXEOSIELMLPY-QPEQYQDCSA-N 0 0 360.236 3.736 50 30 FHEARN CC#CC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(OC)c(C)c1 ZINC000011716998 571321996 /nfs/dbraw/zinc/32/19/96/571321996.db2.gz JBFWSJNVCXDGDR-HSZRJFAPSA-N 0 0 358.441 3.982 50 30 FHEARN CC(C)c1noc([C@@H](C)NC(=O)c2ccc(-c3ccc(C#N)nc3)cc2)n1 ZINC000426490565 571322125 /nfs/dbraw/zinc/32/21/25/571322125.db2.gz LHOCYYDCAGZHJS-CYBMUJFWSA-N 0 0 361.405 3.618 50 30 FHEARN CS(=O)(=O)N(Cc1ccc(Cl)c(Cl)c1)c1cccc(C#N)c1 ZINC000012981638 571322930 /nfs/dbraw/zinc/32/29/30/571322930.db2.gz WISQCAYMZKWKSM-UHFFFAOYSA-N 0 0 355.246 3.831 50 30 FHEARN CCOc1cc(Br)c(F)cc1NC(=O)CCN1CCCC1=O ZINC000328593825 571323634 /nfs/dbraw/zinc/32/36/34/571323634.db2.gz OLXZHDWAMXMMSC-UHFFFAOYSA-N 0 0 373.222 3.587 50 30 FHEARN Cc1ccc(NC(=O)N2CCCN(c3ncccc3C#N)CC2)cc1Cl ZINC000019835028 571327410 /nfs/dbraw/zinc/32/74/10/571327410.db2.gz YLNPFNSWULLEPY-UHFFFAOYSA-N 0 0 369.856 3.659 50 30 FHEARN COc1ccc(Oc2ccc(-c3nc(N)c(C#N)c(C#N)c3C#N)cc2)cc1 ZINC000020405353 571329304 /nfs/dbraw/zinc/32/93/04/571329304.db2.gz QSTYDKIQNGVXBQ-UHFFFAOYSA-N 0 0 367.368 3.747 50 30 FHEARN CC(C)c1nc(N2CCN(C(=O)c3ccccc3)CC2)c(C#N)c2c1CCC2 ZINC000020546971 571331028 /nfs/dbraw/zinc/33/10/28/571331028.db2.gz CEBTWTKNKQJVKY-UHFFFAOYSA-N 0 0 374.488 3.528 50 30 FHEARN COc1ccccc1[C@@H]1[C@H](C(C)=O)N2c3ccccc3C=C[C@H]2C1(C#N)C#N ZINC000021946983 571336268 /nfs/dbraw/zinc/33/62/68/571336268.db2.gz OTQACOQMALUWFM-BDTNDASRSA-N 0 0 369.424 3.686 50 30 FHEARN Cc1cc(CSc2nc3ccccc3c(=O)n2-c2ccc(C#N)cc2)no1 ZINC000022019579 571336332 /nfs/dbraw/zinc/33/63/32/571336332.db2.gz PGMMBZLVZDCPON-UHFFFAOYSA-N 0 0 374.425 3.846 50 30 FHEARN N#Cc1ccccc1-c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 ZINC000022415008 571336804 /nfs/dbraw/zinc/33/68/04/571336804.db2.gz XSJHHHMBTSSYHL-UHFFFAOYSA-N 0 0 374.421 3.570 50 30 FHEARN O=C(CON=C1c2ccccc2-c2ccccc21)Nc1ccc2c(c1)OCO2 ZINC000002647289 571340003 /nfs/dbraw/zinc/34/00/03/571340003.db2.gz DLIWGZVHMQTPDE-UHFFFAOYSA-N 0 0 372.380 3.803 50 30 FHEARN C[C@H](Oc1ccc(C#N)cc1)c1nc2c3c4c(sc3ncn2n1)CCC4 ZINC000002787482 571340991 /nfs/dbraw/zinc/34/09/91/571340991.db2.gz IRULMTUXKGHGGU-NSHDSACASA-N 0 0 361.430 3.839 50 30 FHEARN Cc1ccc(-c2noc(CSCC(=O)Nc3cccc(C#N)c3)n2)cc1 ZINC000028908147 571341313 /nfs/dbraw/zinc/34/13/13/571341313.db2.gz DMSJVMHDWQKZRE-UHFFFAOYSA-N 0 0 364.430 3.789 50 30 FHEARN CC[C@@H](C)[C@H](C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000057304390 571342452 /nfs/dbraw/zinc/34/24/52/571342452.db2.gz IVYQHLLPLZTLRC-KGLIPLIRSA-N 0 0 370.453 3.573 50 30 FHEARN CCCCCCCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O ZINC000029748900 571342850 /nfs/dbraw/zinc/34/28/50/571342850.db2.gz XYPPIXVDLXZFJF-UHFFFAOYSA-N 0 0 363.889 3.753 50 30 FHEARN N#Cc1ccc(OCC(=O)c2cnc(N3CCCCC3)s2)c(Cl)c1 ZINC000057547306 571344453 /nfs/dbraw/zinc/34/44/53/571344453.db2.gz ZRCPLGHNNYUGNU-UHFFFAOYSA-N 0 0 361.854 3.920 50 30 FHEARN CS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1C#N ZINC000003104740 571344768 /nfs/dbraw/zinc/34/47/68/571344768.db2.gz QUXWFENSGWVOCB-UHFFFAOYSA-N 0 0 369.229 3.521 50 30 FHEARN N#Cc1ccccc1NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 ZINC000003238044 571345920 /nfs/dbraw/zinc/34/59/20/571345920.db2.gz QZFKZOJINJMHDB-UHFFFAOYSA-N 0 0 366.392 3.691 50 30 FHEARN C[C@@H](OC(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003250028 571346085 /nfs/dbraw/zinc/34/60/85/571346085.db2.gz PWFJZGRWXKFJQI-LLVKDONJSA-N 0 0 362.307 3.761 50 30 FHEARN COC(=O)c1cccc(C#Cc2cccc(NC(=O)NCc3ccco3)c2)c1 ZINC000058026749 571347137 /nfs/dbraw/zinc/34/71/37/571347137.db2.gz MXIQAGZAWCJGCT-UHFFFAOYSA-N 0 0 374.396 3.788 50 30 FHEARN COc1cccc2cc(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c(=O)oc21 ZINC000003911120 571353213 /nfs/dbraw/zinc/35/32/13/571353213.db2.gz KPCBJKZAVDHDBN-JXMROGBWSA-N 0 0 351.314 3.606 50 30 FHEARN C=CCn1c(SCC(=O)NCc2ccco2)nnc1C1CCCCC1 ZINC000038140297 571358812 /nfs/dbraw/zinc/35/88/12/571358812.db2.gz OESQYICVSXQDKK-UHFFFAOYSA-N 0 0 360.483 3.513 50 30 FHEARN N#Cc1ccc(NC(=O)COc2ccc(NC(=O)c3ccccc3)cc2)cc1 ZINC000008121057 571359149 /nfs/dbraw/zinc/35/91/49/571359149.db2.gz KZEPXPPZBTYELF-UHFFFAOYSA-N 0 0 371.396 3.828 50 30 FHEARN Cc1nnc(N2CCC[C@@H](COc3ccccc3Cl)C2)c(C#N)c1C ZINC000158215491 935630374 /nfs/dbraw/zinc/63/03/74/935630374.db2.gz JIFAGWMADTZFEV-OAHLLOKOSA-N 0 0 356.857 3.914 50 30 FHEARN Cc1cnc(-c2cccnc2)n1[C@@H]1CCCN(C(=O)c2cccc(C#N)c2)C1 ZINC000581806515 940614018 /nfs/dbraw/zinc/61/40/18/940614018.db2.gz RLCKVQXJTUXNSA-HXUWFJFHSA-N 0 0 371.444 3.603 50 30 FHEARN O=C(NCCc1nc2c(s1)CCCC2)N1CCOC[C@H]1c1ccccc1 ZINC000329022434 942241337 /nfs/dbraw/zinc/24/13/37/942241337.db2.gz IHVYSDSKIHRMMX-KRWDZBQOSA-N 0 0 371.506 3.552 50 30 FHEARN N#Cc1ccccc1/C=C/C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000014187950 942765586 /nfs/dbraw/zinc/76/55/86/942765586.db2.gz FUYXQOPYKXXKMV-LHUXKHBRSA-N 0 0 360.413 3.706 50 30 FHEARN Cc1cc(C)cc(C[C@@H](C)NC(=O)NC2CCN(c3nccs3)CC2)c1 ZINC000329324144 942842058 /nfs/dbraw/zinc/84/20/58/942842058.db2.gz HXJXZJVGUXDEJD-MRXNPFEDSA-N 0 0 372.538 3.864 50 30 FHEARN O=C(NCC1(c2cccs2)CCCCC1)N[C@@H]1CCc2c[nH]nc2C1 ZINC000329802978 944287734 /nfs/dbraw/zinc/28/77/34/944287734.db2.gz KWUHUEOLGJLUAG-OAHLLOKOSA-N 0 0 358.511 3.734 50 30 FHEARN CC[C@H](C)n1ncc(NC(=O)N2CCCN3c4ccccc4C[C@@H]3C2)c1C ZINC000329816478 944290622 /nfs/dbraw/zinc/29/06/22/944290622.db2.gz FLEHMNIFRGUWJS-MAUKXSAKSA-N 0 0 367.497 3.845 50 30 FHEARN CC(C)(C)c1nnc(CNC(=O)c2cccnc2N2CCCCC2)s1 ZINC000329861911 944303148 /nfs/dbraw/zinc/30/31/48/944303148.db2.gz QQRFFGUCZMXSLQ-UHFFFAOYSA-N 0 0 359.499 3.726 50 30 FHEARN O=C(NCCc1ccc2ccccc2n1)N1CC[C@@]2(C1)OCc1ccccc12 ZINC000329960034 944311381 /nfs/dbraw/zinc/31/13/81/944311381.db2.gz RKGRKGUXNGFPNJ-QHCPKHFHSA-N 0 0 373.456 3.823 50 30 FHEARN CN(C)c1cccc(CN(C)C(=O)C2CCC(NC(=O)C3CC3)CC2)c1 ZINC000330017773 944321584 /nfs/dbraw/zinc/32/15/84/944321584.db2.gz RSDGZYGOXNXMME-UHFFFAOYSA-N 0 0 357.498 3.636 50 30 FHEARN Cc1nc(Cl)cc(N(OC(=O)c2ccccc2)C(=O)c2ccccc2)n1 ZINC000001232549 944327450 /nfs/dbraw/zinc/32/74/50/944327450.db2.gz MCXDVBYDBXYYIU-UHFFFAOYSA-N 0 0 367.792 3.857 50 30 FHEARN C=C[C@H]1CCCCN1CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000330202327 944344882 /nfs/dbraw/zinc/34/48/82/944344882.db2.gz ZDQUQNFSVAKUBF-IBGZPJMESA-N 0 0 361.530 3.555 50 30 FHEARN N#Cc1cccnc1OC1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000096102850 209881247 /nfs/dbraw/zinc/88/12/47/209881247.db2.gz ZLXZACZIYUWRHX-UHFFFAOYSA-N 0 0 365.477 3.539 50 30 FHEARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N1 ZINC000001009939 219352849 /nfs/dbraw/zinc/35/28/49/219352849.db2.gz MZQJVVSXFHFOAN-HXUWFJFHSA-N 0 0 359.429 3.688 50 30 FHEARN O=C(/C=C/N1CCOCC1)c1csc(-c2ccc(C(F)(F)F)cc2)n1 ZINC000001048004 219358982 /nfs/dbraw/zinc/35/89/82/219358982.db2.gz YYPPCANTCSZQEZ-AATRIKPKSA-N 0 0 368.380 3.858 50 30 FHEARN COC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000001051457 219359325 /nfs/dbraw/zinc/35/93/25/219359325.db2.gz CFSWVGCFJLUTIE-UHFFFAOYSA-N 0 0 358.366 3.966 50 30 FHEARN O=C1C=C(c2ccccc2)C[C@H](c2ccccc2)[C@@H]1n1cnc([N+](=O)[O-])n1 ZINC000001056514 219360524 /nfs/dbraw/zinc/36/05/24/219360524.db2.gz YEFOINVAAQTTLT-MJGOQNOKSA-N 0 0 360.373 3.568 50 30 FHEARN Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccc(C#N)cc1 ZINC000001123079 219373947 /nfs/dbraw/zinc/37/39/47/219373947.db2.gz NQHYPSXDRKRVFE-UHFFFAOYSA-N 0 0 359.223 3.955 50 30 FHEARN C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N\N=C\c1cccs1 ZINC000013477481 209579570 /nfs/dbraw/zinc/57/95/70/209579570.db2.gz RRXCQTIWJNRWFD-XYVZQPIASA-N 0 0 355.488 3.811 50 30 FHEARN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc2c(c1)CCCC2 ZINC000005475123 219682515 /nfs/dbraw/zinc/68/25/15/219682515.db2.gz QXIQZUOHQHRRTR-UHFFFAOYSA-N 0 0 368.820 3.886 50 30 FHEARN CC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(C#N)c3)n2)cc1 ZINC000005511761 219685205 /nfs/dbraw/zinc/68/52/05/219685205.db2.gz CKSLFHGCOACMFD-UHFFFAOYSA-N 0 0 362.414 3.892 50 30 FHEARN O=C1CCCC2=Nc3nonc3N[C@@H](c3ccc(Cl)cc3Cl)C12 ZINC000012407784 209566330 /nfs/dbraw/zinc/56/63/30/209566330.db2.gz HKNNJVKAHSOFFX-ZDUSSCGKSA-N 0 0 351.193 3.962 50 30 FHEARN Cc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccccc3O)CC2=Nc2ncnn21 ZINC000005203494 209440080 /nfs/dbraw/zinc/44/00/80/209440080.db2.gz ZWGVPVOHXHALJI-SZNDQCEHSA-N 0 0 372.428 3.708 50 30 FHEARN O=[N+]([O-])c1ccc(N=NCc2ccc(Br)s2)c([N+](=O)[O-])c1 ZINC000004955853 209430813 /nfs/dbraw/zinc/43/08/13/209430813.db2.gz HCEMYNQHHJVWQE-AWNIVKPZSA-N 0 0 371.172 3.773 50 30 FHEARN N#Cc1ccc(COC(=O)c2ccccc2I)cc1 ZINC000003555995 209404893 /nfs/dbraw/zinc/40/48/93/209404893.db2.gz ZFVZBOLHMICWOE-UHFFFAOYSA-N 0 0 363.154 3.520 50 30 FHEARN C[C@H]1CCc2c(C#N)c(NC(=O)COc3ccccc3[N+](=O)[O-])sc2C1 ZINC000000947400 209384774 /nfs/dbraw/zinc/38/47/74/209384774.db2.gz QELZVIGNUYBRBN-NSHDSACASA-N 0 0 371.418 3.670 50 30 FHEARN C=CCn1c2sc3c(c2c(=O)n(-c2cccc(Cl)c2)c1=O)CCC3 ZINC000001076802 209386341 /nfs/dbraw/zinc/38/63/41/209386341.db2.gz ABWYLSQDSZMINE-UHFFFAOYSA-N 0 0 358.850 3.542 50 30 FHEARN CCN(CC)C(=O)c1sc(NC(=O)c2ccc(OC)cc2)c(C#N)c1C ZINC000000871987 209379327 /nfs/dbraw/zinc/37/93/27/209379327.db2.gz VTCOKNWWIQRJJB-UHFFFAOYSA-N 0 0 371.462 3.671 50 30 FHEARN C=CCNC(=O)c1cc2sccc2n1Cc1cc(OC)cc(OC)c1 ZINC000037525760 209305003 /nfs/dbraw/zinc/30/50/03/209305003.db2.gz NWMNRKDTKMYWQI-UHFFFAOYSA-N 0 0 356.447 3.684 50 30 FHEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccs2)no1 ZINC000102712353 209240764 /nfs/dbraw/zinc/24/07/64/209240764.db2.gz IUOOHRJWGMVCEK-UYTDBDHRSA-N 0 0 366.398 3.671 50 30 FHEARN CN1C(=O)[C@@H](CC(=O)Nc2ccccc2Cl)S/C1=N/c1ccccc1 ZINC000101599700 209228183 /nfs/dbraw/zinc/22/81/83/209228183.db2.gz NQFHGJRZBCMHGD-UDJKBAMHSA-N 0 0 373.865 3.930 50 30 FHEARN CN(C)/C=N/c1c(C#N)cnn1-c1ncnc2sc(-c3ccccc3)cc21 ZINC000100864126 209218638 /nfs/dbraw/zinc/21/86/38/209218638.db2.gz FHLLSNOWUNQSQR-FSJBWODESA-N 0 0 373.445 3.637 50 30 FHEARN Cc1ccccc1S(=O)(=O)/N=C1/C=C(Cl)C(=O)C(Cl)=C1Cl ZINC000100565066 209214459 /nfs/dbraw/zinc/21/44/59/209214459.db2.gz YRYGRCLBCZQFHJ-MFOYZWKCSA-N 0 0 364.637 3.519 50 30 FHEARN N#Cc1cccc(/C=C\C(=O)NC2(c3ccc(F)cc3F)CCOCC2)c1 ZINC000098053226 209203299 /nfs/dbraw/zinc/20/32/99/209203299.db2.gz INTVQMOMVORPPX-DAXSKMNVSA-N 0 0 368.383 3.672 50 30 FHEARN O=C(/C=C\c1ccc(-n2cncn2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000098004055 209202114 /nfs/dbraw/zinc/20/21/14/209202114.db2.gz RBLFTIDQFBHKID-BAQGIRSFSA-N 0 0 354.753 3.725 50 30 FHEARN O=C1c2cccc(Br)c2OC/C1=C/c1cccc2c1OCO2 ZINC000098042648 209201985 /nfs/dbraw/zinc/20/19/85/209201985.db2.gz RETIEMBCSMLFBF-XFFZJAGNSA-N 0 0 359.175 3.837 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccco1 ZINC000097104979 209171679 /nfs/dbraw/zinc/17/16/79/209171679.db2.gz KUNIDKNJJNODQH-OXQOHEQNSA-N 0 0 370.401 3.616 50 30 FHEARN CCC(CC)N(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C#N)nc1 ZINC000097212573 209174623 /nfs/dbraw/zinc/17/46/23/209174623.db2.gz DORMVUKLDSZHQL-UHFFFAOYSA-N 0 0 357.479 3.954 50 30 FHEARN C=CCO[C@H](C)C(=O)Nc1nc(-c2ccccc2)c(-c2nccn2C)s1 ZINC000058316628 206683550 /nfs/dbraw/zinc/68/35/50/206683550.db2.gz WGESKKHZILATMK-CYBMUJFWSA-N 0 0 368.462 3.740 50 30 FHEARN CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@H]1C(=O)NCC#Cc1ccccc1 ZINC000095451635 206691363 /nfs/dbraw/zinc/69/13/63/206691363.db2.gz OQYNGXWQNYRALP-AVRDEDQJSA-N 0 0 370.493 3.628 50 30 FHEARN C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 ZINC000004842192 206707785 /nfs/dbraw/zinc/70/77/85/206707785.db2.gz AQURCBKLQRXXMM-UHFFFAOYSA-N 0 0 350.418 3.740 50 30 FHEARN C=CCSc1ncc(Cl)c(C(=O)Nc2cc(OC)ccc2OC)n1 ZINC000006748032 206710682 /nfs/dbraw/zinc/71/06/82/206710682.db2.gz VGEGBTWXBMRRBJ-UHFFFAOYSA-N 0 0 365.842 3.678 50 30 FHEARN C=CCN1C(=S)N=NC1c1sc(NC(=O)c2cccc(C)c2)nc1C ZINC000024969670 206749934 /nfs/dbraw/zinc/74/99/34/206749934.db2.gz ZLOWDTONDYBTTN-UHFFFAOYSA-N 0 0 371.491 3.745 50 30 FHEARN CCN(C(C)=O)c1nc(/C=C2/CCc3cc(OC)ccc3C2=O)cs1 ZINC000096930366 206807783 /nfs/dbraw/zinc/80/77/83/206807783.db2.gz XBCNQIIMKIEKQI-ZROIWOOFSA-N 0 0 356.447 3.737 50 30 FHEARN N#Cc1cccc(NC(=O)COc2ccc(Cl)cc2Br)c1 ZINC000000676797 206823933 /nfs/dbraw/zinc/82/39/33/206823933.db2.gz VEZVTSGKSMRWLG-UHFFFAOYSA-N 0 0 365.614 3.992 50 30 FHEARN COc1cccc(/C=N/n2c(SC)nnc2-c2ccccc2)c1OC ZINC000001209634 206868977 /nfs/dbraw/zinc/86/89/77/206868977.db2.gz IWGNZSHYQVXZRH-XDHOZWIPSA-N 0 0 354.435 3.566 50 30 FHEARN CCc1ccc(N=C2NC(=O)C[C@H](C(=O)Nc3ccc(C)cc3)N2)cc1 ZINC000002435126 206916408 /nfs/dbraw/zinc/91/64/08/206916408.db2.gz RFZNGLTVXIFNOS-QGZVFWFLSA-N 0 0 350.422 3.502 50 30 FHEARN COc1ccc(C)cc1-n1c(SCC#N)nc2sc(C)c(C)c2c1=O ZINC000002624217 206924112 /nfs/dbraw/zinc/92/41/12/206924112.db2.gz KDXOASRJADMRAP-UHFFFAOYSA-N 0 0 371.487 3.997 50 30 FHEARN Cc1cccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccccc3)S2)c1 ZINC000002729394 206930932 /nfs/dbraw/zinc/93/09/32/206930932.db2.gz ZARBFCOGKYHUTE-XOMICKMZSA-N 0 0 353.447 3.585 50 30 FHEARN CC(C)Cn1c2ccccc2nc1SCC(=O)N[C@@](C)(C#N)C(C)C ZINC000004254891 207008882 /nfs/dbraw/zinc/00/88/82/207008882.db2.gz JTXZJYMCGLJQNB-IBGZPJMESA-N 0 0 358.511 3.839 50 30 FHEARN Cc1cc(SCC(=O)N[C@@H](C)C(C)C)n2c3ccccc3nc2c1C#N ZINC000004269424 207009080 /nfs/dbraw/zinc/00/90/80/207009080.db2.gz OKUWXJIIZVGOSF-AWEZNQCLSA-N 0 0 366.490 3.920 50 30 FHEARN Cc1cc(SCC(=O)NC2CCCC2)n2c3ccccc3nc2c1C#N ZINC000004270048 207009476 /nfs/dbraw/zinc/00/94/76/207009476.db2.gz AQFHZPHIOBRLFY-UHFFFAOYSA-N 0 0 364.474 3.819 50 30 FHEARN c1cc(CN=Nc2ncnc3sc4c(c32)CCCC4)cc2c1OCO2 ZINC000004334681 207013328 /nfs/dbraw/zinc/01/33/28/207013328.db2.gz LTBQBNSWRQCQSG-ODCIPOBUSA-N 0 0 352.419 3.745 50 30 FHEARN COc1ccc(OC)c(/C=C2/S/C(=N\c3cccc(C)c3)NC2=O)c1 ZINC000004491624 207022365 /nfs/dbraw/zinc/02/23/65/207022365.db2.gz CZSQEMRDXQRHDH-GZTJUZNOSA-N 0 0 354.431 3.904 50 30 FHEARN CCN(CC)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1 ZINC000004505550 207023353 /nfs/dbraw/zinc/02/33/53/207023353.db2.gz KRRKWZZTAIQQGT-OAHLLOKOSA-N 0 0 365.433 3.588 50 30 FHEARN CC(C)(O)C(CCc1ccccc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004416139 207020442 /nfs/dbraw/zinc/02/04/42/207020442.db2.gz XZBFXVXZCHTGIY-LVZFUZTISA-N 0 0 372.381 3.675 50 30 FHEARN CN1C(=O)C[C@@H](C(=O)Nc2ccccc2)S/C1=N\c1cccc(Cl)c1 ZINC000004473997 207020898 /nfs/dbraw/zinc/02/08/98/207020898.db2.gz LXIKOIKPIJSPJE-BAOKRACBSA-N 0 0 373.865 3.930 50 30 FHEARN Clc1ccc(C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)cc1 ZINC000004576116 207029097 /nfs/dbraw/zinc/02/90/97/207029097.db2.gz HBFGDOKXJZPAPN-KGENOOAVSA-N 0 0 370.888 3.776 50 30 FHEARN N#Cc1cn(CC(=O)NC2CCCCC2)c2ccc(Br)cc12 ZINC000004676478 207037480 /nfs/dbraw/zinc/03/74/80/207037480.db2.gz OCJIDGMYPVXUIB-UHFFFAOYSA-N 0 0 360.255 3.724 50 30 FHEARN COC(=O)/C=C1/S/C(=N\c2ccccc2)N(Cc2ccc(F)cc2)C1=O ZINC000004699826 207038522 /nfs/dbraw/zinc/03/85/22/207038522.db2.gz UQSSECDPERKUOS-BRQLWOPXSA-N 0 0 370.405 3.646 50 30 FHEARN COCc1cc(C)nc2sc(C#N)c(NC(=O)c3ccccc3OC)c21 ZINC000004709904 207040922 /nfs/dbraw/zinc/04/09/22/207040922.db2.gz AGHPNMYULPAWNZ-UHFFFAOYSA-N 0 0 367.430 3.884 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000004726897 207042509 /nfs/dbraw/zinc/04/25/09/207042509.db2.gz YDTNWHPMAHEXLA-DYESRHJHSA-N 0 0 374.440 3.616 50 30 FHEARN Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccccn2)cc1 ZINC000004863921 207055467 /nfs/dbraw/zinc/05/54/67/207055467.db2.gz YMYHSYDYLFVGSA-SFHVURJKSA-N 0 0 360.369 3.766 50 30 FHEARN N#Cc1ccccc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000004832856 207053372 /nfs/dbraw/zinc/05/33/72/207053372.db2.gz LKWTZHOVVQQWKX-UHFFFAOYSA-N 0 0 369.837 3.728 50 30 FHEARN N#CCSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1 ZINC000004986061 207069558 /nfs/dbraw/zinc/06/95/58/207069558.db2.gz GEJDRHLAFFNYCE-UHFFFAOYSA-N 0 0 360.826 3.767 50 30 FHEARN O=C1C[C@@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004914722 207061534 /nfs/dbraw/zinc/06/15/34/207061534.db2.gz ACQSSVHQYWANGK-PBHICJAKSA-N 0 0 353.368 3.969 50 30 FHEARN O=C1C[C@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000004913894 207061642 /nfs/dbraw/zinc/06/16/42/207061642.db2.gz NZADYMNDCSKBCT-TZMCWYRMSA-N 0 0 368.414 3.661 50 30 FHEARN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000004913897 207061657 /nfs/dbraw/zinc/06/16/57/207061657.db2.gz NZADYMNDCSKBCT-JSGCOSHPSA-N 0 0 368.414 3.661 50 30 FHEARN COC(=O)c1ccc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc1 ZINC000005186574 207086718 /nfs/dbraw/zinc/08/67/18/207086718.db2.gz ZISHXGYRJGOYHD-BOPFTXTBSA-N 0 0 366.442 3.982 50 30 FHEARN COc1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c(OC)c1 ZINC000005124350 207081279 /nfs/dbraw/zinc/08/12/79/207081279.db2.gz TWKVYCAJZKUCQE-UHFFFAOYSA-N 0 0 365.414 3.951 50 30 FHEARN Cc1[nH]nc2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005124309 207082335 /nfs/dbraw/zinc/08/23/35/207082335.db2.gz YHJPUFVICIRSNV-MRXNPFEDSA-N 0 0 352.394 3.827 50 30 FHEARN N#Cc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCCC3)cc1Cl ZINC000005307322 207092682 /nfs/dbraw/zinc/09/26/82/207092682.db2.gz QARCRDFHVWHLAF-UHFFFAOYSA-N 0 0 374.849 3.947 50 30 FHEARN O=C(C=C1NCCc2cc3c(cc21)OCCCO3)c1ccc(Cl)cc1 ZINC000005354629 207095257 /nfs/dbraw/zinc/09/52/57/207095257.db2.gz HLSVLAFLBIWQNV-ATVHPVEESA-N 0 0 355.821 3.871 50 30 FHEARN CN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000005445555 207100886 /nfs/dbraw/zinc/10/08/86/207100886.db2.gz HPXDBAHIKCHFLK-HNNXBMFYSA-N 0 0 372.218 3.657 50 30 FHEARN CC(C)[C@H](NC(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCCO2 ZINC000005407903 207098259 /nfs/dbraw/zinc/09/82/59/207098259.db2.gz NFRUHTOHIIBVSA-FQEVSTJZSA-N 0 0 350.418 3.847 50 30 FHEARN Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N(CCC#N)c2ccccc2)n1 ZINC000005642844 207110390 /nfs/dbraw/zinc/11/03/90/207110390.db2.gz ZXXVFSSIHSKFLO-MRXNPFEDSA-N 0 0 364.474 3.998 50 30 FHEARN Cc1ccc(S(=O)(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)cc1 ZINC000005555729 207105071 /nfs/dbraw/zinc/10/50/71/207105071.db2.gz OMWCZYLELCRQEY-RGVLZGJSSA-N 0 0 373.865 3.817 50 30 FHEARN Cc1ccc(S(=O)(=O)N/N=C/c2cc3cccc(C)c3nc2Cl)cc1 ZINC000005533494 207105689 /nfs/dbraw/zinc/10/56/89/207105689.db2.gz VHKHUANCJVFAHO-RGVLZGJSSA-N 0 0 373.865 3.817 50 30 FHEARN c1cnc2cc(CN=Nc3ncnc4sc5c(c43)CCCC5)ccc2n1 ZINC000005561284 207106573 /nfs/dbraw/zinc/10/65/73/207106573.db2.gz YWXWVCRMZRZATC-YSURURNPSA-N 0 0 360.446 3.959 50 30 FHEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1 ZINC000005559318 207106786 /nfs/dbraw/zinc/10/67/86/207106786.db2.gz XCYHZNZLVLQCAT-MRXNPFEDSA-N 0 0 371.780 3.759 50 30 FHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2ccccc2)cc1 ZINC000005800641 207117911 /nfs/dbraw/zinc/11/79/11/207117911.db2.gz NMUPXGZROVNVQD-SFHVURJKSA-N 0 0 371.396 3.568 50 30 FHEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2[N+](=O)[O-])NC(=O)N1 ZINC000005851054 207119665 /nfs/dbraw/zinc/11/96/65/207119665.db2.gz XIYDRYGMQHZLNH-INIZCTEOSA-N 0 0 371.780 3.759 50 30 FHEARN COCCNC(=S)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1 ZINC000005937161 207124002 /nfs/dbraw/zinc/12/40/02/207124002.db2.gz MCQAZCVZKDTTFM-INIZCTEOSA-N 0 0 359.882 3.928 50 30 FHEARN COC(=O)c1ccc(C=NN2C(=S)N=NC2c2ccccc2Cl)cc1 ZINC000006003867 207124842 /nfs/dbraw/zinc/12/48/42/207124842.db2.gz DUSAAVXEKQACJV-VXLYETTFSA-N 0 0 372.837 3.556 50 30 FHEARN Cc1ccc(S(=O)(=O)CCSc2nc3c(cc2C#N)CCCC3)cc1 ZINC000006143557 207130429 /nfs/dbraw/zinc/13/04/29/207130429.db2.gz XJXCGTREGPZZMQ-UHFFFAOYSA-N 0 0 372.515 3.707 50 30 FHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)Cc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000006250361 207134294 /nfs/dbraw/zinc/13/42/94/207134294.db2.gz CQSSBWQFINAYNL-LLVKDONJSA-N 0 0 355.419 3.834 50 30 FHEARN N#Cc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1 ZINC000006278095 207135767 /nfs/dbraw/zinc/13/57/67/207135767.db2.gz AZZTULZANJKLIY-UHFFFAOYSA-N 0 0 357.417 3.795 50 30 FHEARN S=C1N=NC(c2ccccn2)N1N=Cc1ccc(Cl)c(Cl)c1 ZINC000006198500 207133246 /nfs/dbraw/zinc/13/32/46/207133246.db2.gz DESNBABIUQXMHZ-QGMBQPNBSA-N 0 0 350.234 3.818 50 30 FHEARN N#Cc1ccccc1NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000006610120 207148643 /nfs/dbraw/zinc/14/86/43/207148643.db2.gz DHTLRNPCZBFUME-QGZVFWFLSA-N 0 0 362.458 3.944 50 30 FHEARN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Oc1ccc(Br)cc1Cl ZINC000006620122 207149310 /nfs/dbraw/zinc/14/93/10/207149310.db2.gz HRTNNRCRFWPCRM-BMIGLBTASA-N 0 0 373.678 3.924 50 30 FHEARN N#Cc1ccccc1OCC(=O)Nc1nc2c(s1)COc1ccccc1-2 ZINC000006510506 207143543 /nfs/dbraw/zinc/14/35/43/207143543.db2.gz OHVSHGJLQZPNCO-UHFFFAOYSA-N 0 0 363.398 3.592 50 30 FHEARN C=CCN1c2ccccc2/C(=N/NC(=S)Nc2cc(C)ccc2C)C1=O ZINC000006714809 207156324 /nfs/dbraw/zinc/15/63/24/207156324.db2.gz AOPGXHRNNPTLLY-PYCFMQQDSA-N 0 0 364.474 3.527 50 30 FHEARN COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)NC2=O)cc(OC)c1O ZINC000006840471 207171952 /nfs/dbraw/zinc/17/19/52/207171952.db2.gz QZJBGHJMZRUDCZ-MHWRWJLKSA-N 0 0 370.430 3.609 50 30 FHEARN N#Cc1ccc(CSc2nnc([C@@H]3COc4ccccc4O3)o2)cc1 ZINC000007088892 207186885 /nfs/dbraw/zinc/18/68/85/207186885.db2.gz PLCSQPXQNFJWOC-INIZCTEOSA-N 0 0 351.387 3.746 50 30 FHEARN COc1ccc(Cc2nnc(SCc3ccccc3C#N)o2)cc1OC ZINC000007604774 207199129 /nfs/dbraw/zinc/19/91/29/207199129.db2.gz WTXSEQCHQVXRIO-UHFFFAOYSA-N 0 0 367.430 3.842 50 30 FHEARN Cc1c2cc(F)ccc2oc1C(=O)O[C@H](C)C(=O)Nc1sccc1C#N ZINC000007831532 207208700 /nfs/dbraw/zinc/20/87/00/207208700.db2.gz PDXYQDSJBCALJH-SNVBAGLBSA-N 0 0 372.377 3.998 50 30 FHEARN COc1ccc(-c2cc(C(=O)O[C@H](C)C#N)c3ccccc3n2)cc1OC ZINC000007706106 207203031 /nfs/dbraw/zinc/20/30/31/207203031.db2.gz KLTQZNPEVCTKPQ-CYBMUJFWSA-N 0 0 362.385 3.988 50 30 FHEARN N#CC1(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)CCCC1 ZINC000008001056 207215808 /nfs/dbraw/zinc/21/58/08/207215808.db2.gz WUDPUWWNQLCXFT-SFHVURJKSA-N 0 0 371.531 3.710 50 30 FHEARN N#Cc1ccc(OCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000008071640 207218653 /nfs/dbraw/zinc/21/86/53/207218653.db2.gz FUXTVUGLSRWYTN-QGZVFWFLSA-N 0 0 363.442 3.910 50 30 FHEARN COc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000007858453 207210424 /nfs/dbraw/zinc/21/04/24/207210424.db2.gz OZMQZCBDCQYSND-LLVKDONJSA-N 0 0 362.332 3.574 50 30 FHEARN CCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC ZINC000008426337 207233343 /nfs/dbraw/zinc/23/33/43/207233343.db2.gz SHGUABLPZQPZOQ-UHFFFAOYSA-N 0 0 366.531 3.676 50 30 FHEARN N#Cc1ccsc1NC(=O)COc1ccc(C(=O)c2ccccc2)cc1 ZINC000008541094 207236797 /nfs/dbraw/zinc/23/67/97/207236797.db2.gz AVBCPVVIVWSAPC-UHFFFAOYSA-N 0 0 362.410 3.868 50 30 FHEARN N#Cc1ccccc1NC(=O)CSCc1cc2c(c(Cl)c1)OCO2 ZINC000008985198 207253284 /nfs/dbraw/zinc/25/32/84/207253284.db2.gz JTVUSUILMMXMPO-UHFFFAOYSA-N 0 0 360.822 3.812 50 30 FHEARN CCn1c(C)cc(C(=O)CSc2nc(C)cc(COC)c2C#N)c1C ZINC000010231435 207297529 /nfs/dbraw/zinc/29/75/29/207297529.db2.gz YLNVMKZDHQRFQN-UHFFFAOYSA-N 0 0 357.479 3.821 50 30 FHEARN N#Cc1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000036774853 207295243 /nfs/dbraw/zinc/29/52/43/207295243.db2.gz GTAYOUAIWYTVBN-OAHLLOKOSA-N 0 0 351.362 3.579 50 30 FHEARN N#Cc1ccccc1OCC(=O)Nc1ccc(-n2cnc3ccccc32)cc1 ZINC000010428043 207300703 /nfs/dbraw/zinc/30/07/03/207300703.db2.gz JKHALQGSISFAFQ-UHFFFAOYSA-N 0 0 368.396 3.915 50 30 FHEARN CCOC(=O)CC(=O)CSc1nc(-c2ccc(Cl)cc2)ccc1C#N ZINC000012250948 207350941 /nfs/dbraw/zinc/35/09/41/207350941.db2.gz LNWHENDVEFDBSB-UHFFFAOYSA-N 0 0 374.849 3.888 50 30 FHEARN O=c1[nH][nH]c2c1[C@@H](c1ccc(Br)s1)C1=C(CCCC1=O)N2 ZINC000012348108 207364219 /nfs/dbraw/zinc/36/42/19/207364219.db2.gz VOOMCYSLRQQDDE-NSHDSACASA-N 0 0 366.240 3.504 50 30 FHEARN CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1cccc(C#N)c1)O[C@H](C)C2 ZINC000012564900 207393489 /nfs/dbraw/zinc/39/34/89/207393489.db2.gz OGDZWQFACILHGL-ZIAGYGMSSA-N 0 0 365.433 3.719 50 30 FHEARN N#Cc1ccc(OCC(=O)N[C@H]2CCSc3ccc(Cl)cc32)cc1 ZINC000012620308 207404589 /nfs/dbraw/zinc/40/45/89/207404589.db2.gz YUCCNUKRUGOTRB-INIZCTEOSA-N 0 0 358.850 3.944 50 30 FHEARN COc1ccc(Br)cc1CN(C)C(=O)c1cccc(C#N)c1 ZINC000012789366 207422054 /nfs/dbraw/zinc/42/20/54/207422054.db2.gz VNMVZNGJHJGTQZ-UHFFFAOYSA-N 0 0 359.223 3.602 50 30 FHEARN CC(=O)N1CCC(C(=O)Nc2sc(C)c(-c3ccccc3)c2C#N)CC1 ZINC000013321684 207456527 /nfs/dbraw/zinc/45/65/27/207456527.db2.gz GAPIFUWCIYASJO-UHFFFAOYSA-N 0 0 367.474 3.792 50 30 FHEARN Cc1cc(/C=N/O)c(C)n1-c1ccc(I)c(C)c1 ZINC000015768943 207564562 /nfs/dbraw/zinc/56/45/62/207564562.db2.gz NWWSKVHXCQFWDM-LZYBPNLTSA-N 0 0 354.191 3.815 50 30 FHEARN CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccs2)C2=C(CCCC2=O)N1 ZINC000018195079 207629657 /nfs/dbraw/zinc/62/96/57/207629657.db2.gz JSXXQXZRVNPVPX-IBGZPJMESA-N 0 0 365.458 3.750 50 30 FHEARN N#Cc1ccccc1OC(=O)c1csc(COc2ccc(F)cc2)n1 ZINC000029508450 207992962 /nfs/dbraw/zinc/99/29/62/207992962.db2.gz DWPKWFBRGMELEM-UHFFFAOYSA-N 0 0 354.362 3.952 50 30 FHEARN O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1cc(F)cc2c1OCOC2 ZINC000032845219 208049100 /nfs/dbraw/zinc/04/91/00/208049100.db2.gz IMESNMJOEKTDJC-CHHVJCJISA-N 0 0 374.368 3.723 50 30 FHEARN CCN(C(C)=O)c1nc(/C=C2\CCc3cc(OC)ccc3C2=O)cs1 ZINC000032853609 208049170 /nfs/dbraw/zinc/04/91/70/208049170.db2.gz XBCNQIIMKIEKQI-NTEUORMPSA-N 0 0 356.447 3.737 50 30 FHEARN CCOC(=O)c1ccc(C#N)c(SCCOc2ccc(OCC)cc2)n1 ZINC000032899294 208053430 /nfs/dbraw/zinc/05/34/30/208053430.db2.gz LZYDGBRQIZEPIB-UHFFFAOYSA-N 0 0 372.446 3.700 50 30 FHEARN CC(C)(C)C(=O)/C=C1\SCC(=O)N1Cc1cc(F)cc2cccnc21 ZINC000031607974 208013859 /nfs/dbraw/zinc/01/38/59/208013859.db2.gz LKBSRPCRNCWUQJ-MFOYZWKCSA-N 0 0 358.438 3.906 50 30 FHEARN CC(C)(C)c1nc2cc(NS(=O)(=O)c3cccc(C#N)c3)ccc2o1 ZINC000032097510 208026250 /nfs/dbraw/zinc/02/62/50/208026250.db2.gz ZMMPZWNXDAXINX-UHFFFAOYSA-N 0 0 355.419 3.798 50 30 FHEARN Cc1ccc([C@H]2c3c(=O)[nH]c(SC(C)C)nc3NC3=C2C(=O)CCC3)o1 ZINC000033810063 208101268 /nfs/dbraw/zinc/10/12/68/208101268.db2.gz IAZAIVNPYVXZRK-OAHLLOKOSA-N 0 0 371.462 3.736 50 30 FHEARN Cc1cc(NCC(=O)NC2(C#N)CCCCCC2)ccc1Br ZINC000032906652 208054718 /nfs/dbraw/zinc/05/47/18/208054718.db2.gz MDZMORQMAWCRIN-UHFFFAOYSA-N 0 0 364.287 3.902 50 30 FHEARN N#Cc1ccc(COC(=O)c2cccc(NC(=O)c3cccnc3)c2)cc1 ZINC000032912275 208056314 /nfs/dbraw/zinc/05/63/14/208056314.db2.gz QOYNWMWRYFYQMZ-UHFFFAOYSA-N 0 0 357.369 3.563 50 30 FHEARN CC1(C)Cc2c(cc(C#N)c(=O)n2-c2cccc(C(F)(F)F)c2)C(=O)C1 ZINC000032985416 208063000 /nfs/dbraw/zinc/06/30/00/208063000.db2.gz STENQTBSRPQHFT-UHFFFAOYSA-N 0 0 360.335 3.883 50 30 FHEARN N#Cc1cc2c(n(-c3ccc(Cl)cc3)c1=O)C[C@@H](c1ccco1)CC2=O ZINC000032985474 208063766 /nfs/dbraw/zinc/06/37/66/208063766.db2.gz KAPKGFLDVKPIDJ-GFCCVEGCSA-N 0 0 364.788 3.868 50 30 FHEARN Cc1cccc(-n2c3c(cc(C#N)c2=O)C(=O)C[C@@H](c2ccccc2)C3)c1 ZINC000032985431 208063875 /nfs/dbraw/zinc/06/38/75/208063875.db2.gz UROXBGRFZKKZLN-KRWDZBQOSA-N 0 0 354.409 3.930 50 30 FHEARN COc1ccc(Cl)cc1-n1c2c(cc(C#N)c1=O)C(=O)CC(C)(C)C2 ZINC000032985412 208064135 /nfs/dbraw/zinc/06/41/35/208064135.db2.gz CBJMBZJIXIGDCQ-UHFFFAOYSA-N 0 0 356.809 3.526 50 30 FHEARN N#C/C(=N\c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccccc2s1 ZINC000033679503 208096747 /nfs/dbraw/zinc/09/67/47/208096747.db2.gz DQNYRZOJMRUMRD-SFQUDFHCSA-N 0 0 353.319 3.757 50 30 FHEARN Cc1nnc(-c2ccc3ccn(CC(=O)Nc4cccc(C#N)c4)c3c2)o1 ZINC000035462016 208125588 /nfs/dbraw/zinc/12/55/88/208125588.db2.gz IDSSBSUQXPMYIL-UHFFFAOYSA-N 0 0 357.373 3.510 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccccc2O)C[C@H]1c1ccc(OC)cc1 ZINC000034600535 208105286 /nfs/dbraw/zinc/10/52/86/208105286.db2.gz DXKGQBZQPLPKPY-GHTZIAJQSA-N 0 0 366.413 3.720 50 30 FHEARN CC1N=NC(=S)N1N=Cc1ccc(COc2ccc(F)c(Cl)c2)o1 ZINC000036611338 208165645 /nfs/dbraw/zinc/16/56/45/208165645.db2.gz XLBQTKJKEXNCDP-CNHKJKLMSA-N 0 0 366.805 3.722 50 30 FHEARN COc1ccc(CN(C(=O)[C@H](C)Oc2ccc(C#N)cc2)C2CC2)cc1 ZINC000036866412 208173992 /nfs/dbraw/zinc/17/39/92/208173992.db2.gz FWGUIYIJIHCDTA-HNNXBMFYSA-N 0 0 350.418 3.525 50 30 FHEARN Cc1nc2sc3c(c2c(N=NCc2ccc(O)cc2O)n1)CCCC3 ZINC000036020660 208140851 /nfs/dbraw/zinc/14/08/51/208140851.db2.gz KHGMYDRXALKMJH-OCKHKDLRSA-N 0 0 354.435 3.736 50 30 FHEARN COC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2cccc(O)c2)C1=O ZINC000036257122 208151297 /nfs/dbraw/zinc/15/12/97/208151297.db2.gz FQSJSCACQZHYFK-XNTDXEJSSA-N 0 0 371.389 3.685 50 30 FHEARN C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2cccc(C#N)c2)C1=O ZINC000040116715 208230126 /nfs/dbraw/zinc/23/01/26/208230126.db2.gz NAFSPPRZRDBMFS-SFHVURJKSA-N 0 0 373.334 3.544 50 30 FHEARN CC(=O)c1cc(C#N)c(SCC(=O)NC2CCCCCCC2)nc1C ZINC000040161949 208240320 /nfs/dbraw/zinc/24/03/20/208240320.db2.gz OCSCJVMRBHAIQH-UHFFFAOYSA-N 0 0 359.495 3.786 50 30 FHEARN CC1(C)CC2=C(C(=O)C1)[C@](Nc1ccc(F)cc1)(C(F)(F)F)C(=O)O2 ZINC000040268295 208245498 /nfs/dbraw/zinc/24/54/98/208245498.db2.gz CZMJONBXQXEWLU-MRXNPFEDSA-N 0 0 357.303 3.739 50 30 FHEARN C=CCn1c(SCC(=O)NCc2cccs2)nnc1-c1ccccc1 ZINC000003563092 208280379 /nfs/dbraw/zinc/28/03/79/208280379.db2.gz CPQBKRFWXKHQKX-UHFFFAOYSA-N 0 0 370.503 3.601 50 30 FHEARN N#Cc1ccccc1-c1c(-c2ccccc2)ncn1CCN1CCCOC1=O ZINC000065505842 208685044 /nfs/dbraw/zinc/68/50/44/208685044.db2.gz XKBFQECITRMHFZ-UHFFFAOYSA-N 0 0 372.428 3.931 50 30 FHEARN Cc1ccc(-c2c(C#N)c(N)nc3c2CN(Cc2cccnc2)CC3)cc1F ZINC000072154284 208814098 /nfs/dbraw/zinc/81/40/98/208814098.db2.gz PUPAEQJESUNYET-UHFFFAOYSA-N 0 0 373.435 3.603 50 30 FHEARN COc1ccc(C(=O)Cc2nc3ccc(Br)cc3[nH]c2=O)cc1 ZINC000077024272 208893725 /nfs/dbraw/zinc/89/37/25/208893725.db2.gz QIMHVCCUWSVKKW-OQLLNIDSSA-N 0 0 373.206 3.589 50 30 FHEARN C#CCN1CCN(c2nc(-c3cccs3)nc3sc(C)c(C)c32)CC1 ZINC000014249988 533156423 /nfs/dbraw/zinc/15/64/23/533156423.db2.gz YEWINHCUAFYTEC-UHFFFAOYSA-N 0 0 368.531 3.792 50 30 FHEARN N#C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1nnc2n1CCCCC2 ZINC000095348918 209023205 /nfs/dbraw/zinc/02/32/05/209023205.db2.gz DAPBDOMOSGVELD-NSHDSACASA-N 0 0 364.236 3.557 50 30 FHEARN N#C[C@H](c1ccccc1)N1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000095408917 209050032 /nfs/dbraw/zinc/05/00/32/209050032.db2.gz AGFXKVZQVVNUND-GOSISDBHSA-N 0 0 354.841 3.754 50 30 FHEARN N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000095406122 132210791 /nfs/dbraw/zinc/21/07/91/132210791.db2.gz FQQRAINLXXHMQA-GFCCVEGCSA-N 0 0 363.343 3.616 50 30 FHEARN N#C[C@H](c1ccccc1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000095455184 132211197 /nfs/dbraw/zinc/21/11/97/132211197.db2.gz PNWVKPITHAZIBA-HXUWFJFHSA-N 0 0 355.445 3.530 50 30 FHEARN N#CCCn1cc(/C=C\C(=O)N2CC(=O)Nc3ccccc32)c2ccccc21 ZINC000096653075 132225655 /nfs/dbraw/zinc/22/56/55/132225655.db2.gz VVHGUQTZMQOGBQ-KHPPLWFESA-N 0 0 370.412 3.553 50 30 FHEARN C[C@H]1Oc2ccc(Br)cc2N(Cc2ccc(C#N)cc2)C1=O ZINC000215941525 132270674 /nfs/dbraw/zinc/27/06/74/132270674.db2.gz WQHNDHWZVNWJQQ-LLVKDONJSA-N 0 0 357.207 3.635 50 30 FHEARN Cc1cccnc1OC1CCN(c2cc(C#N)c([N+](=O)[O-])cc2C)CC1 ZINC000225811971 132286728 /nfs/dbraw/zinc/28/67/28/132286728.db2.gz WQOJMGRYNAMMND-UHFFFAOYSA-N 0 0 352.394 3.526 50 30 FHEARN C=C(C)CN1CCN(c2ncnc3c4cc(C)c(C)nc4sc32)CC1 ZINC000012408604 132373420 /nfs/dbraw/zinc/37/34/20/132373420.db2.gz UHZDPSVRCZEPLQ-UHFFFAOYSA-N 0 0 353.495 3.554 50 30 FHEARN C=CCN1c2cc(NC(=O)c3ccc(OC(C)C)cc3)ccc2OCC1=O ZINC000032593383 132374394 /nfs/dbraw/zinc/37/43/94/132374394.db2.gz YKQLOWFETJVOJS-UHFFFAOYSA-N 0 0 366.417 3.638 50 30 FHEARN C=CC(=O)OCC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F ZINC000095681889 209085395 /nfs/dbraw/zinc/08/53/95/209085395.db2.gz OZGWOALFBHODRB-UHFFFAOYSA-N 0 0 366.126 3.614 50 30 FHEARN COc1ccc(CNC(=S)NCc2ccc(Cl)cc2)cc1OC ZINC000001120587 263142826 /nfs/dbraw/zinc/14/28/26/263142826.db2.gz PQOIANZRFSDJSS-UHFFFAOYSA-N 0 0 350.871 3.933 50 30 FHEARN CC(=O)Nc1ccc(SCC(=O)N(CCC#N)c2ccc(F)cc2)cc1 ZINC000002623873 263145362 /nfs/dbraw/zinc/14/53/62/263145362.db2.gz KZKZKNKTQFWZKM-UHFFFAOYSA-N 0 0 371.437 3.823 50 30 FHEARN Cc1ccc(N(CCC#N)C(=O)CSc2nc3ccccc3[nH]2)cc1 ZINC000002619525 263325922 /nfs/dbraw/zinc/32/59/22/263325922.db2.gz HKNBVBLQXSJOBT-UHFFFAOYSA-N 0 0 350.447 3.910 50 30 FHEARN CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000003347107 263328993 /nfs/dbraw/zinc/32/89/93/263328993.db2.gz JVVBFHGPAXSNLB-INIZCTEOSA-N 0 0 364.858 3.537 50 30 FHEARN C=CCn1ccc2c(OCC(=O)Nc3cc(C)ccc3C)cccc2c1=O ZINC000004584213 263334482 /nfs/dbraw/zinc/33/44/82/263334482.db2.gz PDROLMSOTHZORV-UHFFFAOYSA-N 0 0 362.429 3.822 50 30 FHEARN COc1ccc(CCNC2=CC(=O)C[C@@H](c3ccccc3)C2)cc1OC ZINC000004726007 263336692 /nfs/dbraw/zinc/33/66/92/263336692.db2.gz BOQQABBLHPYUEI-SFHVURJKSA-N 0 0 351.446 3.867 50 30 FHEARN C=CCN(C(=O)CSc1cc(=O)n(C)c2ccccc12)c1ccccc1 ZINC000005008054 263337540 /nfs/dbraw/zinc/33/75/40/263337540.db2.gz ZMQFJEIAEDABJZ-UHFFFAOYSA-N 0 0 364.470 3.850 50 30 FHEARN N#CCCn1cc(C(=O)COc2ccc(-c3nnco3)cc2)c2ccccc21 ZINC000006559291 263346009 /nfs/dbraw/zinc/34/60/09/263346009.db2.gz NEYPHSZCRQIMPI-UHFFFAOYSA-N 0 0 372.384 3.867 50 30 FHEARN CCn1ncc(Br)c1C(=O)/C=C/c1cc(OC)ccc1OC ZINC000006556023 263346080 /nfs/dbraw/zinc/34/60/80/263346080.db2.gz HQEAYCALNRWHDU-FNORWQNLSA-N 0 0 365.227 3.579 50 30 FHEARN C=CCn1c(C)cc(-c2csc(NC(=O)COc3cc(C)on3)n2)c1C ZINC000008761908 263357191 /nfs/dbraw/zinc/35/71/91/263357191.db2.gz UNLJIQUHMVYCQF-UHFFFAOYSA-N 0 0 372.450 3.728 50 30 FHEARN C=CCn1c(S[C@H](C)C(=O)NC2CCCC2)nnc1-c1cccc(C)c1 ZINC000008774564 263357198 /nfs/dbraw/zinc/35/71/98/263357198.db2.gz GTVOLGGQEYXVAV-OAHLLOKOSA-N 0 0 370.522 3.979 50 30 FHEARN N#CC1(NC(=O)CN(Cc2cccs2)Cc2cccs2)CCCC1 ZINC000009048968 263358165 /nfs/dbraw/zinc/35/81/65/263358165.db2.gz AVNSOUWXAXTCNB-UHFFFAOYSA-N 0 0 359.520 3.764 50 30 FHEARN C=CCn1c(SCCC(=O)Nc2ccccc2)nnc1-c1ccncc1 ZINC000009145499 263360072 /nfs/dbraw/zinc/36/00/72/263360072.db2.gz TXEMSOJLCVFGIB-UHFFFAOYSA-N 0 0 365.462 3.647 50 30 FHEARN C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cn(Cc2ccccc2Cl)nn1 ZINC000011843640 263368197 /nfs/dbraw/zinc/36/81/97/263368197.db2.gz SZIKYOMTPHMKHS-GDBMZVCRSA-N 0 0 356.857 3.715 50 30 FHEARN CNC(=S)N=NCc1ccc(OCc2cccc(Cl)c2)c(OC)c1 ZINC000012374317 263370630 /nfs/dbraw/zinc/37/06/30/263370630.db2.gz KILHIODOEAWTRL-JMIUGGIZSA-N 0 0 363.870 3.767 50 30 FHEARN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccn2)C2=C(CCCC2=O)N1 ZINC000019535438 263374984 /nfs/dbraw/zinc/37/49/84/263374984.db2.gz JLIBTXSUHRYWSJ-JOCHJYFZSA-N 0 0 374.440 3.793 50 30 FHEARN Cc1ccc(CN2CCN(/N=C\c3ccc(Br)cc3)CC2)cc1 ZINC000019773303 263376933 /nfs/dbraw/zinc/37/69/33/263376933.db2.gz DOBMPKOUCYKHDT-STZFKDTASA-N 0 0 372.310 3.909 50 30 FHEARN Cc1cccc(N2CCN(C(=O)c3ccccc3SCC#N)CC2)c1C ZINC000030778063 263391047 /nfs/dbraw/zinc/39/10/47/263391047.db2.gz ZLRREQXPJAYWLM-UHFFFAOYSA-N 0 0 365.502 3.882 50 30 FHEARN N#Cc1ccc(OCC(=O)c2ccc3c(c2)CCCC(=O)N3)c(Cl)c1 ZINC000032329309 263393110 /nfs/dbraw/zinc/39/31/10/263393110.db2.gz SETCEHANSWTWSE-UHFFFAOYSA-N 0 0 354.793 3.748 50 30 FHEARN O=C(Cc1csc(-c2ccccc2)n1)Nc1n[nH]c([C@H]2CCCO2)n1 ZINC000095480388 263428260 /nfs/dbraw/zinc/42/82/60/263428260.db2.gz PPIUROVJZHXENE-CYBMUJFWSA-N 0 0 355.423 3.610 50 30 FHEARN C=CCn1c2sc3c(c2c(=O)n(-c2ccc(Cl)cc2)c1=O)CCCC3 ZINC000002221266 517341285 /nfs/dbraw/zinc/34/12/85/517341285.db2.gz IKFWIWBSBSCIFT-UHFFFAOYSA-N 0 0 372.877 3.932 50 30 FHEARN C#CCn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100909845 518342270 /nfs/dbraw/zinc/34/22/70/518342270.db2.gz GJYNPVJIOIXLIY-VXPUYCOJSA-N 0 0 365.414 3.602 50 30 FHEARN C=C(C)CN(CC)C(=O)CN[C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000060089248 518592170 /nfs/dbraw/zinc/59/21/70/518592170.db2.gz ZKVBTQVEHGBTEP-JOCHJYFZSA-N 0 0 370.468 3.938 50 30 FHEARN C=C(C)COc1cccc(NC(=O)N[C@@H](CC(C)C)c2ncnn2C)c1 ZINC000096133772 518621177 /nfs/dbraw/zinc/62/11/77/518621177.db2.gz DNGJYCICDCQLSI-KRWDZBQOSA-N 0 0 357.458 3.679 50 30 FHEARN C=CCCC(=O)NCc1nnc(SCc2cccc(C)c2)n1CC=C ZINC000014981204 518697112 /nfs/dbraw/zinc/69/71/12/518697112.db2.gz XJHRDWBLPZWZFK-UHFFFAOYSA-N 0 0 356.495 3.647 50 30 FHEARN C=CCN(C(=O)[C@H](C)n1nc(-c2ccc(C)cc2)ccc1=O)c1ccccc1 ZINC000021174345 518737418 /nfs/dbraw/zinc/73/74/18/518737418.db2.gz YAQUEZOAIQVAAO-SFHVURJKSA-N 0 0 373.456 3.999 50 30 FHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)Nc1ccccc1OC ZINC000005428924 518799597 /nfs/dbraw/zinc/79/95/97/518799597.db2.gz HPBOHKPQYVWKLI-UHFFFAOYSA-N 0 0 364.405 3.965 50 30 FHEARN C=CCNc1nnc(S[C@H](C)C(=O)N2CCCc3ccccc32)s1 ZINC000014014551 518968235 /nfs/dbraw/zinc/96/82/35/518968235.db2.gz BVXXNXKKHBMFTB-GFCCVEGCSA-N 0 0 360.508 3.596 50 30 FHEARN C=CCOc1ccccc1/C=C1\C(=O)ON=C1c1cccc([N+](=O)[O-])c1 ZINC000020037155 519065897 /nfs/dbraw/zinc/06/58/97/519065897.db2.gz YXJRJDKXLTYOKO-VBKFSLOCSA-N 0 0 350.330 3.504 50 30 FHEARN C=CCc1ccccc1OCCn1c(CN(C)C(C)=O)nc2ccccc21 ZINC000007425380 519144944 /nfs/dbraw/zinc/14/49/44/519144944.db2.gz MDGSHHGIBOYJSM-UHFFFAOYSA-N 0 0 363.461 3.822 50 30 FHEARN C=CCn1c(SCc2ccccc2C(N)=O)nnc1-c1ccc(C)cc1 ZINC000085421457 519245297 /nfs/dbraw/zinc/24/52/97/519245297.db2.gz GAWVALVTAFWLNI-UHFFFAOYSA-N 0 0 364.474 3.831 50 30 FHEARN CC(C)COc1ccc(C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)cc1 ZINC000004332969 519762605 /nfs/dbraw/zinc/76/26/05/519762605.db2.gz LDFAVKQDFMQTGX-UHFFFAOYSA-N 0 0 372.465 3.563 50 30 FHEARN CC(C)Oc1ccc(/C=N/CCNc2nccc(C(F)(F)F)n2)cc1 ZINC000003467489 519778282 /nfs/dbraw/zinc/77/82/82/519778282.db2.gz RYENJYGPMMIJAN-SRZZPIQSSA-N 0 0 352.360 3.814 50 30 FHEARN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2cccn2C)C1=O ZINC000036258093 520534139 /nfs/dbraw/zinc/53/41/39/520534139.db2.gz UEPKLTZPEUHVSA-FOWTUZBSSA-N 0 0 368.458 3.877 50 30 FHEARN CCC(=O)N(c1nnc(S[C@H](C#N)Cc2ccc(C)cc2)s1)C1CC1 ZINC000009516315 521090474 /nfs/dbraw/zinc/09/04/74/521090474.db2.gz SYKFWEIRCXPBHT-HNNXBMFYSA-N 0 0 372.519 3.979 50 30 FHEARN CCSc1ccccc1C(=O)NCC#CCN1CCc2ccccc2C1 ZINC000075165019 521771157 /nfs/dbraw/zinc/77/11/57/521771157.db2.gz RAGOKGMBLJMRPR-UHFFFAOYSA-N 0 0 364.514 3.590 50 30 FHEARN COc1cc(/C=N/C[C@@H]2CCCO2)ccc1OCc1ccc(Cl)nc1 ZINC000004089605 521984723 /nfs/dbraw/zinc/98/47/23/521984723.db2.gz LAWRUBRIRALFEC-CTJICSLTSA-N 0 0 360.841 3.921 50 30 FHEARN COC(C)(C)CCC[C@](C)(O)C#CCN1CCCC[C@@H]1c1cccnc1 ZINC000095346026 522473660 /nfs/dbraw/zinc/47/36/60/522473660.db2.gz UBZDIWVELVGWPC-IRLDBZIGSA-N 0 0 358.526 3.958 50 30 FHEARN COc1ccc(-c2csc(C3=C(N)N(c4ccccc4)CC3=O)n2)cc1 ZINC000013570620 523162432 /nfs/dbraw/zinc/16/24/32/523162432.db2.gz IMVZWDCXALPTEY-UHFFFAOYSA-N 0 0 363.442 3.535 50 30 FHEARN COc1ccc(C2N=NC(=S)N2N=CC=Cc2ccccc2OC)cc1 ZINC000245253548 523257508 /nfs/dbraw/zinc/25/75/08/523257508.db2.gz HBRXRORBHIQJBC-SVDASAMWSA-N 0 0 366.446 3.798 50 30 FHEARN COc1ccc(/C=C\C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1OCC(C)C ZINC000050665964 523435732 /nfs/dbraw/zinc/43/57/32/523435732.db2.gz VELHOIJPTKUOTE-YWEYNIOJSA-N 0 0 366.417 3.796 50 30 FHEARN CCc1c(C#N)c(N)nc(SCC(=O)c2cc(C)c(C)cc2C)c1C#N ZINC000020387299 523678820 /nfs/dbraw/zinc/67/88/20/523678820.db2.gz MHZUPQCOKOQBFR-UHFFFAOYSA-N 0 0 364.474 3.870 50 30 FHEARN COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)cc1 ZINC000005782665 523773600 /nfs/dbraw/zinc/77/36/00/523773600.db2.gz VFIMTESOORCXJD-JAIQZWGSSA-N 0 0 373.364 3.926 50 30 biogenic FHEARN COc1ccc(C=NN2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000238997384 523883477 /nfs/dbraw/zinc/88/34/77/523883477.db2.gz AFDKAGABVFBRLL-UHFFFAOYSA-N 0 0 359.857 3.513 50 30 FHEARN CCc1ccc(OCc2cc(C=Nn3cn[nH]c3=S)ccc2OC)cc1 ZINC000008483651 524006653 /nfs/dbraw/zinc/00/66/53/524006653.db2.gz AJBHJJNCXWXQKK-SRZZPIQSSA-N 0 0 368.462 3.973 50 30 FHEARN Cc1cccc(OCC(=O)ONC(=N)Cc2ccc(Cl)cc2Cl)c1 ZINC000004690169 524722267 /nfs/dbraw/zinc/72/22/67/524722267.db2.gz QUMFPJBZWKQYJQ-UHFFFAOYSA-N 0 0 367.232 3.739 50 30 FHEARN Cc1cc(NN=Cc2ccccc2[N+](=O)[O-])nc(NCc2ccccc2)n1 ZINC000004851010 525042640 /nfs/dbraw/zinc/04/26/40/525042640.db2.gz HNWRZGIXUGCCSH-FYJGNVAPSA-N 0 0 362.393 3.751 50 30 FHEARN Cc1cc(N=NCc2ccc([N+](=O)[O-])cc2)nc(NCc2ccccc2)n1 ZINC000004855756 525043923 /nfs/dbraw/zinc/04/39/23/525043923.db2.gz AIIJJVAYRCPRSD-FYJGNVAPSA-N 0 0 362.393 3.751 50 30 FHEARN Cc1c2cccc(Cl)c2oc1C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C ZINC000007737200 525972007 /nfs/dbraw/zinc/97/20/07/525972007.db2.gz PUNMMMNXFRLXFT-SFHVURJKSA-N 0 0 362.813 3.606 50 30 FHEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccncc1 ZINC000244724704 526389648 /nfs/dbraw/zinc/38/96/48/526389648.db2.gz MZCKGPWIGOCOEV-UHFFFAOYSA-N 0 0 350.234 3.818 50 30 FHEARN N#CC1(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)CCCCC1 ZINC000005170157 526436559 /nfs/dbraw/zinc/43/65/59/526436559.db2.gz IGNMEGPBLNMGRB-UHFFFAOYSA-N 0 0 362.429 3.639 50 30 FHEARN N#Cc1nc(-c2cccc3ccccc32)oc1NCCCN1CCOCC1 ZINC000020358270 526786573 /nfs/dbraw/zinc/78/65/73/526786573.db2.gz ULSPWYRLYDGHTD-UHFFFAOYSA-N 0 0 362.433 3.501 50 30 FHEARN NC(=NOCc1ccccc1F)c1ccc(Oc2ccc(F)cc2)nc1 ZINC000060197563 526804397 /nfs/dbraw/zinc/80/43/97/526804397.db2.gz DLLXKCCFBLCFJF-UHFFFAOYSA-N 0 0 355.344 3.989 50 30 FHEARN N=C(CSCc1ccco1)NOC(=O)c1ccc(C(F)(F)F)cc1 ZINC000004394472 526815424 /nfs/dbraw/zinc/81/54/24/526815424.db2.gz JDBJFQUBEZIXPK-UHFFFAOYSA-N 0 0 358.341 3.661 50 30 FHEARN Clc1ccccc1OCCn1cc(/C=N/n2cnnc2)c2ccccc21 ZINC000002978286 526991102 /nfs/dbraw/zinc/99/11/02/526991102.db2.gz KVHQGPOEXICDSN-FOKLQQMPSA-N 0 0 365.824 3.847 50 30 FHEARN O=S(=O)(N/N=C/c1cccc(Cl)c1Cl)c1ccc(Cl)cc1 ZINC000002987178 527203315 /nfs/dbraw/zinc/20/33/15/527203315.db2.gz NNFZRUFDWYZOIA-CAOOACKPSA-N 0 0 363.653 3.959 50 30 FHEARN O=C(/C=C/c1ccc(F)cc1)c1ccc(OCC(=O)N2CCCC2)cc1 ZINC000005127625 527610220 /nfs/dbraw/zinc/61/02/20/527610220.db2.gz RRZFDDDEKWFBGX-LFYBBSHMSA-N 0 0 353.393 3.723 50 30 FHEARN C=C(C)C(=O)Nc1ccc(Cc2ccc(NC(=O)C(=C)C)c(O)c2)cc1O ZINC000003212574 568117664 /nfs/dbraw/zinc/11/76/64/568117664.db2.gz OJPMOWAMFHBBOQ-UHFFFAOYSA-N 0 0 366.417 3.718 50 30 FHEARN N#C[C@H](C1=NC(=O)CS1)[C@H](CC(=O)c1cccs1)c1ccccc1 ZINC000012322144 568155818 /nfs/dbraw/zinc/15/58/18/568155818.db2.gz GEIRPHIWQKUAFL-KGLIPLIRSA-N 0 0 354.456 3.916 50 30 FHEARN C=C(Br)Cn1c(CN(C)C(=O)c2ccco2)nc2ccccc21 ZINC000012323775 568174351 /nfs/dbraw/zinc/17/43/51/568174351.db2.gz UEDDCDUZFYYAOA-UHFFFAOYSA-N 0 0 374.238 3.810 50 30 FHEARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@H]2c2ccnc3ccccc32)C1 ZINC000012324496 568179960 /nfs/dbraw/zinc/17/99/60/568179960.db2.gz PKXIJCASOWPXDV-KRWDZBQOSA-N 0 0 361.405 3.840 50 30 FHEARN CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 ZINC000000779035 568202307 /nfs/dbraw/zinc/20/23/07/568202307.db2.gz SMDVWCMQSHYOCE-KRWDZBQOSA-N 0 0 370.836 3.969 50 30 FHEARN CC(C)=C1Oc2c(ccc3c2[C@@H](c2cccc([N+](=O)[O-])c2)CC(=O)O3)C1=O ZINC000218412333 568232801 /nfs/dbraw/zinc/23/28/01/568232801.db2.gz YLMTZBVMKKQZQA-CQSZACIVSA-N 0 0 365.341 3.905 50 30 FHEARN COc1ccc(Cl)cc1N1CC(=O)C(c2nc3ccccc3s2)=C1N ZINC000000791340 568233503 /nfs/dbraw/zinc/23/35/03/568233503.db2.gz SNBBSSADFVKRCZ-UHFFFAOYSA-N 0 0 371.849 3.675 50 30 FHEARN N#Cc1cccc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 ZINC000024966442 568313774 /nfs/dbraw/zinc/31/37/74/568313774.db2.gz GAVXNTNHGZJKRB-UHFFFAOYSA-N 0 0 365.389 3.814 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1 ZINC000000629483 570440307 /nfs/dbraw/zinc/44/03/07/570440307.db2.gz IPVUJUCLQYBCRD-LJQANCHMSA-N 0 0 369.461 3.862 50 30 FHEARN O=S(=O)(NC1CCCCC1)c1ccc(/N=C/c2ccccc2O)cc1 ZINC000000676458 570447357 /nfs/dbraw/zinc/44/73/57/570447357.db2.gz SHQXASDILBDGFB-XSFVSMFZSA-N 0 0 358.463 3.754 50 30 FHEARN CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OC ZINC000000679979 570448650 /nfs/dbraw/zinc/44/86/50/570448650.db2.gz BFIUAKPLHHKFTM-UHFFFAOYSA-N 0 0 367.445 3.795 50 30 FHEARN CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 ZINC000000959812 570467020 /nfs/dbraw/zinc/46/70/20/570467020.db2.gz RJOSZZNTNIZXIU-ZDUSSCGKSA-N 0 0 373.865 3.710 50 30 FHEARN CCOC(=O)C1=C(Nc2cccc3ccccc32)SC(=CN(C)C)C1=O ZINC000001202019 570491897 /nfs/dbraw/zinc/49/18/97/570491897.db2.gz AIYQPVZOYMKTJC-VBKFSLOCSA-N 0 0 368.458 3.745 50 30 FHEARN O=S(=O)(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1 ZINC000001217757 570493970 /nfs/dbraw/zinc/49/39/70/570493970.db2.gz KECCQMWPHYOBBR-CAOOACKPSA-N 0 0 363.653 3.959 50 30 FHEARN COc1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3cccc(Cl)c3)S2)cc1 ZINC000001220228 570494841 /nfs/dbraw/zinc/49/48/41/570494841.db2.gz RIDVNAPBFRZMHM-MBTVCVBTSA-N 0 0 373.865 3.513 50 30 FHEARN Cc1ccccc1-c1nc2ccccc2c(=O)n1/N=C/c1ccccc1O ZINC000001221243 570495243 /nfs/dbraw/zinc/49/52/43/570495243.db2.gz RSNYUFOOCXWCHS-OEAKJJBVSA-N 0 0 355.397 3.960 50 30 FHEARN Cc1ccc(/N=C2\NC(=O)C[C@@H](C(=O)Nc3ccc(C)cc3)S2)cc1 ZINC000001295718 570496820 /nfs/dbraw/zinc/49/68/20/570496820.db2.gz WFXSOXCVZVJCNR-INIZCTEOSA-N 0 0 353.447 3.551 50 30 FHEARN COc1ccc(-c2n[n-]c(=S)n2N=Cc2cccc(OC)c2OC)cc1 ZINC000001473634 570500976 /nfs/dbraw/zinc/50/09/76/570500976.db2.gz FGJZHGMTSRAKPP-YBFXNURJSA-N 0 0 370.434 3.516 50 30 FHEARN COc1cc(-c2c(C)c([C@H]3CC3(C)C)nc(N)c2C#N)cc(OC)c1O ZINC000071747691 570511423 /nfs/dbraw/zinc/51/14/23/570511423.db2.gz MNZKRXCVVUYARI-CYBMUJFWSA-N 0 0 353.422 3.747 50 30 FHEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cccnc1 ZINC000002385659 570520475 /nfs/dbraw/zinc/52/04/75/570520475.db2.gz CNVOWTTXFWIEGF-UHFFFAOYSA-N 0 0 365.462 3.565 50 30 FHEARN Cc1cc(OCC(=O)Nc2cccc(C#N)c2)cc(C)c1Br ZINC000004834214 570523469 /nfs/dbraw/zinc/52/34/69/570523469.db2.gz SZKBQGCJURKAJE-UHFFFAOYSA-N 0 0 359.223 3.955 50 30 FHEARN CCO/N=C(\OC(=O)c1ccccc1)c1c(OC)ccc(Cl)c1OC ZINC000002516082 570523764 /nfs/dbraw/zinc/52/37/64/570523764.db2.gz BZMIHNKNQJJVRO-JZJYNLBNSA-N 0 0 363.797 3.912 50 30 FHEARN Cc1ccc([C@@H]2CN(C(=O)c3cccc(C#N)c3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072164710 570526340 /nfs/dbraw/zinc/52/63/40/570526340.db2.gz ROHGSJHUVVZBTL-YTFSRNRJSA-N 0 0 371.484 3.569 50 30 FHEARN CCN1C(=O)/C(=C/c2cn(CCC#N)nc2-c2ccccc2)SC1=S ZINC000002824675 570534475 /nfs/dbraw/zinc/53/44/75/570534475.db2.gz GRTPEWWGHMAKMI-PTNGSMBKSA-N 0 0 368.487 3.685 50 30 FHEARN N#Cc1ccc(CN2CCCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000023450886 570540060 /nfs/dbraw/zinc/54/00/60/570540060.db2.gz DSCDISNVIDYJCG-UHFFFAOYSA-N 0 0 353.853 3.560 50 30 FHEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc(-n2cccn2)cc1 ZINC000023881666 570545283 /nfs/dbraw/zinc/54/52/83/570545283.db2.gz BCLVJZFYNWKJBH-UHFFFAOYSA-N 0 0 364.408 3.919 50 30 FHEARN N#Cc1nn(-c2cc(F)cc(F)c2)nc1NCCc1c[nH]c2ccccc12 ZINC000033436132 570551915 /nfs/dbraw/zinc/55/19/15/570551915.db2.gz HLCUQTMSKZATJY-UHFFFAOYSA-N 0 0 364.359 3.553 50 30 FHEARN CCCCCCNC1=C(C(=O)CCC)C(O)=C(C(=O)OC)C(C)(C)C1 ZINC000100319721 570553354 /nfs/dbraw/zinc/55/33/54/570553354.db2.gz WNVVTARKDGQMJV-KRWDZBQOSA-N 0 0 351.487 3.568 50 30 FHEARN O=C1C=CC(=O)N1c1cccc(SC(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000003211761 570554318 /nfs/dbraw/zinc/55/43/18/570554318.db2.gz RVNLOLJBIPDVSX-UHFFFAOYSA-N 0 0 373.249 3.999 50 30 FHEARN Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2Cl)cc1C ZINC000003298655 570557109 /nfs/dbraw/zinc/55/71/09/570557109.db2.gz GEOVLRSLMHSWTF-INIZCTEOSA-N 0 0 371.849 3.939 50 30 FHEARN COc1ccccc1N1CCN(/N=C\c2ccc(Br)cc2)CC1 ZINC000004561295 570596387 /nfs/dbraw/zinc/59/63/87/570596387.db2.gz MZAXUFIVNZTRGL-ZHZULCJRSA-N 0 0 374.282 3.614 50 30 FHEARN Cc1nnc(SCC(=O)Nc2ccc(CC#N)cc2)n1C1CCCCC1 ZINC000005319506 570647370 /nfs/dbraw/zinc/64/73/70/570647370.db2.gz VWOPYGWKLMCLKZ-UHFFFAOYSA-N 0 0 369.494 3.889 50 30 FHEARN C=C(C)COc1ccc2c(C)c(CCC(=O)NCC(C)C)c(=O)oc2c1 ZINC000062001366 570647816 /nfs/dbraw/zinc/64/78/16/570647816.db2.gz FIDFFKJIWGDHNI-UHFFFAOYSA-N 0 0 357.450 3.761 50 30 FHEARN C[C@H]1CCN(C(=O)COC(=O)c2ccc(C#N)cc2)c2ccccc2S1 ZINC000005507039 570664597 /nfs/dbraw/zinc/66/45/97/570664597.db2.gz ZADQWXBQUHLKDQ-AWEZNQCLSA-N 0 0 366.442 3.633 50 30 FHEARN C=CCn1c(SCC(=O)OC)nc2scc(-c3ccccc3)c2c1=O ZINC000005606997 570680672 /nfs/dbraw/zinc/68/06/72/570680672.db2.gz JESLXMGCSBETEQ-UHFFFAOYSA-N 0 0 372.471 3.576 50 30 FHEARN O=C1N/C(=N\c2ccc(Br)cc2)S/C1=C/c1ccncc1 ZINC000009265037 570693543 /nfs/dbraw/zinc/69/35/43/570693543.db2.gz GKASPBXQMGBJPS-UKTHLTGXSA-N 0 0 360.236 3.736 50 30 FHEARN COc1ccc(Br)c(C(=O)N(C)Cc2ccc(C#N)cc2)c1 ZINC000032614716 570753804 /nfs/dbraw/zinc/75/38/04/570753804.db2.gz RBJLQENKZKOVTB-UHFFFAOYSA-N 0 0 359.223 3.602 50 30 FHEARN C/C(=N/N=C1/NC(=O)[C@@H](Cc2ccccc2)S1)c1ccc(Cl)cc1 ZINC000012843847 570765774 /nfs/dbraw/zinc/76/57/74/570765774.db2.gz GVZQMKQFOPTAKT-YQODDJSKSA-N 0 0 357.866 3.894 50 30 FHEARN COc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3ccc(C#N)cc3)nc2c1 ZINC000004406475 570772172 /nfs/dbraw/zinc/77/21/72/570772172.db2.gz RGGHQOKHZCTTET-NSHDSACASA-N 0 0 352.419 3.562 50 30 FHEARN COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(C)cc2)c1/C=N/O ZINC000013144016 570774614 /nfs/dbraw/zinc/77/46/14/570774614.db2.gz UNAQNHWTEJDDIL-UDWIEESQSA-N 0 0 367.430 3.927 50 30 FHEARN Cc1nnc(/N=C2\S/C(=C/c3c[nH]c4ccccc34)C(=O)N2C)s1 ZINC000013730453 570788179 /nfs/dbraw/zinc/78/81/79/570788179.db2.gz LDWCZRUEYBPZFX-ITOWYHNOSA-N 0 0 355.448 3.562 50 30 FHEARN CCc1nnc(NC(=O)CN(C)Cc2ccc(C(F)(F)F)cc2)s1 ZINC000014190380 570811396 /nfs/dbraw/zinc/81/13/96/570811396.db2.gz OMZNUNAXHUQVEQ-UHFFFAOYSA-N 0 0 358.389 3.839 50 30 FHEARN COc1cc2c(cc1OC)[C@@H](c1cccc(O)c1)C1=C(CCCC1=O)N2 ZINC000018197216 570814686 /nfs/dbraw/zinc/81/46/86/570814686.db2.gz WCPJBEKMEYORIC-HXUWFJFHSA-N 0 0 351.402 3.974 50 30 FHEARN COc1cc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)ccc1O ZINC000018196780 570814716 /nfs/dbraw/zinc/81/47/16/570814716.db2.gz TZMZDKGPZWCDOD-HXUWFJFHSA-N 0 0 365.385 3.694 50 30 FHEARN C[C@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1Cl ZINC000014408392 570818326 /nfs/dbraw/zinc/81/83/26/570818326.db2.gz JTBMMMXBUMFWHF-AWEZNQCLSA-N 0 0 368.868 3.700 50 30 FHEARN C=CCN(Cc1ccc(Cl)s1)C[C@H](O)COc1ccc(C#N)cc1 ZINC000032843113 570820537 /nfs/dbraw/zinc/82/05/37/570820537.db2.gz HULGDGJSLQOIQH-HNNXBMFYSA-N 0 0 362.882 3.701 50 30 FHEARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1ccccc1 ZINC000101597326 570821642 /nfs/dbraw/zinc/82/16/42/570821642.db2.gz YSLZETIPFDBOJO-QKDOTCOFSA-N 0 0 371.437 3.806 50 30 FHEARN CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccccc1 ZINC000101651502 570821931 /nfs/dbraw/zinc/82/19/31/570821931.db2.gz YTYHHFVQLNMAHJ-YGCDDZCOSA-N 0 0 353.447 3.667 50 30 FHEARN Ic1ccc(C=NNc2cccc3cccnc32)o1 ZINC000015018512 570830052 /nfs/dbraw/zinc/83/00/52/570830052.db2.gz XYDUFSOBYUCQSW-RQZCQDPDSA-N 0 0 363.158 3.878 50 30 FHEARN C#Cc1cccc(N(CC)S(=O)(=O)c2ccccc2Br)c1 ZINC000103060938 570843240 /nfs/dbraw/zinc/84/32/40/570843240.db2.gz OQPZUYHNIFEJIT-UHFFFAOYSA-N 0 0 364.264 3.646 50 30 FHEARN CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(C#N)cc2)CCCCCC1 ZINC000024493535 570848019 /nfs/dbraw/zinc/84/80/19/570848019.db2.gz RRWCZEPEZSWEGF-UHFFFAOYSA-N 0 0 371.481 3.906 50 30 FHEARN Cc1cc(C)c(C(=O)Cc2nc3ccc([N+](=O)[O-])cc3oc2=O)c(C)c1 ZINC000103873423 570853316 /nfs/dbraw/zinc/85/33/16/570853316.db2.gz JXQMFWVGTJXWNH-OQLLNIDSSA-N 0 0 352.346 3.618 50 30 FHEARN N#C[C@@H](C(=O)C=Cc1nccs1)C(=O)Nc1cccc(Cl)c1Cl ZINC000104095893 570856720 /nfs/dbraw/zinc/85/67/20/570856720.db2.gz QFLBIJAMDAKFMA-WBSSQXGSSA-N 0 0 366.229 3.811 50 30 FHEARN C=CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000016742396 570861253 /nfs/dbraw/zinc/86/12/53/570861253.db2.gz VTLYISGSEXWZQZ-KRWDZBQOSA-N 0 0 368.458 3.578 50 30 FHEARN Cc1ccc([C@@H]2C(C(=O)Nc3cccnc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000018195057 570876648 /nfs/dbraw/zinc/87/66/48/570876648.db2.gz ZAGZDRXGPOHPTF-OAQYLSRUSA-N 0 0 373.456 3.997 50 30 FHEARN C=CCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2[C@@H]1c1ccc(F)cc1 ZINC000012063455 570888904 /nfs/dbraw/zinc/88/89/04/570888904.db2.gz YDMRYAKJXWYKMS-FQEVSTJZSA-N 0 0 363.392 3.961 50 30 FHEARN COC(=O)C1=C(C)NC(=Cc2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O ZINC000019596568 570895701 /nfs/dbraw/zinc/89/57/01/570895701.db2.gz YIAKIRHZUGMMSR-YBFXNURJSA-N 0 0 364.445 3.671 50 30 FHEARN CCOc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000019879391 570905286 /nfs/dbraw/zinc/90/52/86/570905286.db2.gz ZBNNJEMILRYIFS-PXLXIMEGSA-N 0 0 357.885 3.890 50 30 FHEARN COc1cccc(NC(=NC(=O)c2cccc(C)c2)NCc2ccncc2)c1 ZINC000045939683 570914822 /nfs/dbraw/zinc/91/48/22/570914822.db2.gz ZNRRVCWFFUAWOU-UHFFFAOYSA-N 0 0 374.444 3.797 50 30 FHEARN C=CCn1c2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc2sc1=O ZINC000046017720 570919623 /nfs/dbraw/zinc/91/96/23/570919623.db2.gz XKDYYFUZDUKPTK-UHFFFAOYSA-N 0 0 374.487 3.667 50 30 FHEARN Cc1cccc(NC(=NC(=O)c2cccc(F)c2)NC[C@H]2CCCO2)c1 ZINC000046130504 570928038 /nfs/dbraw/zinc/92/80/38/570928038.db2.gz ZXKUEFNSUIIMSK-GOSISDBHSA-N 0 0 355.413 3.511 50 30 FHEARN Cc1ccc(NC(=NC(=O)c2cccc(F)c2)NC[C@H]2CCCO2)cc1C ZINC000046129686 570928155 /nfs/dbraw/zinc/92/81/55/570928155.db2.gz ZPDWOHVMNLKXRG-LJQANCHMSA-N 0 0 369.440 3.819 50 30 FHEARN CCc1ccccc1NC(=NC(=O)c1cccc(C)c1)NC[C@H]1CCCO1 ZINC000046131127 570928579 /nfs/dbraw/zinc/92/85/79/570928579.db2.gz SYRJORRPRKQQJP-LJQANCHMSA-N 0 0 365.477 3.934 50 30 FHEARN Cc1cccc(NC(=NC(=O)c2cccc(F)c2)NC[C@@H]2CCCO2)c1C ZINC000046131621 570928946 /nfs/dbraw/zinc/92/89/46/570928946.db2.gz PILDHRUSTIWLFR-SFHVURJKSA-N 0 0 369.440 3.819 50 30 FHEARN CCc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(F)cc2)cc1 ZINC000046132099 570929011 /nfs/dbraw/zinc/92/90/11/570929011.db2.gz RMTICXINYWXIPD-IBGZPJMESA-N 0 0 369.440 3.765 50 30 FHEARN Cc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(C)c2C)cc1 ZINC000046131641 570929042 /nfs/dbraw/zinc/92/90/42/570929042.db2.gz AXFSPULBWCIWQY-LJQANCHMSA-N 0 0 365.477 3.989 50 30 FHEARN C=CCn1c(C)nn(CN2CCC[C@H](c3nc4ccccc4o3)C2)c1=S ZINC000047996163 570932356 /nfs/dbraw/zinc/93/23/56/570932356.db2.gz UKELKYFJAZYTCC-HNNXBMFYSA-N 0 0 369.494 3.887 50 30 FHEARN Cc1ccc(-n2ccnc2SCC(=O)N[C@](C)(C#N)C(C)C)c(C)c1 ZINC000021688697 570932836 /nfs/dbraw/zinc/93/28/36/570932836.db2.gz FBULJOVPVDZGOX-LJQANCHMSA-N 0 0 356.495 3.636 50 30 FHEARN COc1ccccc1-c1nc(NC(=O)[C@@H](C)OCc2ccccc2)n[nH]1 ZINC000048356079 570949936 /nfs/dbraw/zinc/94/99/36/570949936.db2.gz OELHJIOUFGCUKB-CYBMUJFWSA-N 0 0 352.394 3.674 50 30 FHEARN O=C1N/C(=N/C2CCCC2)S/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000023218688 570959834 /nfs/dbraw/zinc/95/98/34/570959834.db2.gz TVCGTLIBXYJSDC-JYRVWZFOSA-N 0 0 351.815 3.751 50 30 FHEARN O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)c1ccc[nH]c1=O ZINC000028835777 571035243 /nfs/dbraw/zinc/03/52/43/571035243.db2.gz OHCHODPWMYGIOY-UHFFFAOYSA-N 0 0 355.297 3.520 50 30 FHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000070920580 571048727 /nfs/dbraw/zinc/04/87/27/571048727.db2.gz FQDKMLMZQQHZRW-LBPRGKRZSA-N 0 0 352.312 3.510 50 30 FHEARN C=CCN(Cc1ccc(C)s1)C(=O)CCN1Cc2ccccc2C1=O ZINC000055108183 571058426 /nfs/dbraw/zinc/05/84/26/571058426.db2.gz KXGKGWBICOQINR-UHFFFAOYSA-N 0 0 354.475 3.617 50 30 FHEARN C=CCN(Cc1ccccc1OCC)C(=O)c1cccc2c1OCCO2 ZINC000055307851 571058648 /nfs/dbraw/zinc/05/86/48/571058648.db2.gz FWDSAWVCPQRVJC-UHFFFAOYSA-N 0 0 353.418 3.685 50 30 FHEARN C=CCC1(CC=C)CCCN1C(=O)COc1cccc(NC(=O)CC)c1 ZINC000055385992 571058929 /nfs/dbraw/zinc/05/89/29/571058929.db2.gz WECIIOYABAQJMG-UHFFFAOYSA-N 0 0 356.466 3.927 50 30 FHEARN COc1ccccc1[C@@H](C#N)NC(=O)c1ccc(-c2ccc(F)cc2)n1C ZINC000068355925 571064829 /nfs/dbraw/zinc/06/48/29/571064829.db2.gz JBKSWEWTSQYWFA-QGZVFWFLSA-N 0 0 363.392 3.834 50 30 FHEARN CC(=O)C1=C(c2ccc(Br)cc2)C(=O)c2ccccc2C1=O ZINC000000779661 571069284 /nfs/dbraw/zinc/06/92/84/571069284.db2.gz AIFGMUQKEOBNOJ-UHFFFAOYSA-N 0 0 355.187 3.871 50 30 FHEARN Cc1nc(-c2ccc(C#CC(C)(C)O)o2)n(-c2cccc3cccnc32)n1 ZINC000063872515 571072276 /nfs/dbraw/zinc/07/22/76/571072276.db2.gz MGOSWXGOUOKWPW-UHFFFAOYSA-N 0 0 358.401 3.506 50 30 FHEARN Cn1cnnc1Sc1c2c(c(C#N)c3nc4ccccc4n31)CCCC2 ZINC000001421239 571072924 /nfs/dbraw/zinc/07/29/24/571072924.db2.gz OVVHEOSJBURQFM-UHFFFAOYSA-N 0 0 360.446 3.518 50 30 FHEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccncc1 ZINC000001424129 571073493 /nfs/dbraw/zinc/07/34/93/571073493.db2.gz AYTAKYRWGVPCKS-KRWDZBQOSA-N 0 0 354.450 3.639 50 30 FHEARN C=CCN(Cc1ccco1)C(=O)CCC(=O)Nc1ccccc1SC ZINC000065469435 571074176 /nfs/dbraw/zinc/07/41/76/571074176.db2.gz FJUZMLBUYICAAR-UHFFFAOYSA-N 0 0 358.463 3.935 50 30 FHEARN Cc1cc(I)c(O)c(/C=N/c2ccccc2O)c1 ZINC000001433531 571077033 /nfs/dbraw/zinc/07/70/33/571077033.db2.gz BCICWNXKNFDKIN-LZYBPNLTSA-N 0 0 353.159 3.761 50 30 FHEARN N#Cc1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1Cl ZINC000012754552 571077366 /nfs/dbraw/zinc/07/73/66/571077366.db2.gz VVPIKFQISGAFQX-UHFFFAOYSA-N 0 0 353.809 3.520 50 30 FHEARN C=CCn1cc(C(=O)N2CCN(c3ccccc3F)CC2)c2ccccc21 ZINC000084670739 571095834 /nfs/dbraw/zinc/09/58/34/571095834.db2.gz VKYWRCIMONNSED-UHFFFAOYSA-N 0 0 363.436 3.929 50 30 FHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000012779404 571097557 /nfs/dbraw/zinc/09/75/57/571097557.db2.gz SBTZDIGVKFCJHO-UHFFFAOYSA-N 0 0 369.764 3.885 50 30 FHEARN CCC(CC)CN(CCC#N)C(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000084727476 571098417 /nfs/dbraw/zinc/09/84/17/571098417.db2.gz NWVAKZAWKBVKNO-UHFFFAOYSA-N 0 0 350.850 3.623 50 30 FHEARN C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cccc(F)c1 ZINC000009303944 571103780 /nfs/dbraw/zinc/10/37/80/571103780.db2.gz UOAOUWVXTYYSRX-UHFFFAOYSA-N 0 0 374.485 3.811 50 30 FHEARN CCOc1ccc([C@@H]2c3ccc(O)cc3Oc3nc(N)c(C#N)c(N)c32)cc1 ZINC000085409053 571113032 /nfs/dbraw/zinc/11/30/32/571113032.db2.gz AYBAGRJMOCPVEU-QGZVFWFLSA-N 0 0 374.400 3.508 50 30 FHEARN CC#CC(=O)N1CCC[C@@H](C(=O)Nc2cccc(-c3ccc(F)cc3)c2)C1 ZINC000012053529 571117234 /nfs/dbraw/zinc/11/72/34/571117234.db2.gz SYSYOLQRWYDSNV-GOSISDBHSA-N 0 0 364.420 3.693 50 30 FHEARN C=CCN(C(=O)c1ccc2c(c1)nnn2CC)c1nc2c(s1)CCCC2 ZINC000012797862 571118374 /nfs/dbraw/zinc/11/83/74/571118374.db2.gz VSCLUTIROOPMDQ-UHFFFAOYSA-N 0 0 367.478 3.619 50 30 FHEARN Cc1cc([C@@H](C(=O)[O-])[NH+]2CCC(C#N)(c3ccccc3)CC2)ccc1F ZINC000055308087 571119054 /nfs/dbraw/zinc/11/90/54/571119054.db2.gz MVDREYSNHXRPSZ-IBGZPJMESA-N 0 0 352.409 3.817 50 30 FHEARN C=CCNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc21 ZINC000013945781 571120591 /nfs/dbraw/zinc/12/05/91/571120591.db2.gz LOLZSZRMDRRZPY-QFIPXVFZSA-N 0 0 373.456 3.714 50 30 FHEARN C=CCOC(=O)/C(=C\c1ccc(OC)cc1)NC(=O)/C=C/c1ccccc1 ZINC000016192426 571122394 /nfs/dbraw/zinc/12/23/94/571122394.db2.gz NRBXOCXACPCOSW-LNNYTJQRSA-N 0 0 363.413 3.595 50 30 FHEARN C=CCc1cccc2cc(C(=O)Nc3cc(OC)ccc3OC)c(=O)oc21 ZINC000000678108 571122686 /nfs/dbraw/zinc/12/26/86/571122686.db2.gz DFSVRECABFEBEI-UHFFFAOYSA-N 0 0 365.385 3.791 50 30 FHEARN C=CCN1c2ccccc2[C@@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)C1=O ZINC000000783748 571123047 /nfs/dbraw/zinc/12/30/47/571123047.db2.gz HSZHPXQTCCYMID-QHCPKHFHSA-N 0 0 363.457 3.977 50 30 FHEARN N#Cc1ccc(N2CCC(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc1 ZINC000012831878 571128039 /nfs/dbraw/zinc/12/80/39/571128039.db2.gz ZDLFXYLKRHJSPJ-UHFFFAOYSA-N 0 0 374.366 3.827 50 30 FHEARN C=C(C)CSc1nnc(SCC(=O)NCc2ccc(C)cc2)s1 ZINC000012848309 571128418 /nfs/dbraw/zinc/12/84/18/571128418.db2.gz SSCUUEMJGJFIEC-UHFFFAOYSA-N 0 0 365.549 3.923 50 30 FHEARN NC(=S)NN=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000006132392 571137099 /nfs/dbraw/zinc/13/70/99/571137099.db2.gz UJLOPLPXOKEVRL-UHFFFAOYSA-N 0 0 354.262 3.740 50 30 FHEARN CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccccc1 ZINC000019087959 571139548 /nfs/dbraw/zinc/13/95/48/571139548.db2.gz QWDKGXLQSWSZAF-HXUWFJFHSA-N 0 0 360.413 3.695 50 30 FHEARN C=CCn1c(SCC(=O)OC)nnc1-c1csc2c1CC[C@H](C)C2 ZINC000017074805 571140164 /nfs/dbraw/zinc/14/01/64/571140164.db2.gz HNEJGTZTOIYDFU-NSHDSACASA-N 0 0 363.508 3.583 50 30 FHEARN Cc1nc(C)c(C#N)c(SCc2noc(-c3ccc(Cl)cc3)n2)n1 ZINC000026125277 571140379 /nfs/dbraw/zinc/14/03/79/571140379.db2.gz YAWGPDAKKDDSEC-UHFFFAOYSA-N 0 0 357.826 3.961 50 30 FHEARN Cc1ccc(N[C@@]2(C(F)(F)F)C(=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000064370016 571140668 /nfs/dbraw/zinc/14/06/68/571140668.db2.gz STLFNELZRLDZAD-QGZVFWFLSA-N 0 0 353.340 3.908 50 30 FHEARN COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SC)nn32)cc1 ZINC000000969980 571140932 /nfs/dbraw/zinc/14/09/32/571140932.db2.gz FTFJMVBDKXTHEH-INIZCTEOSA-N 0 0 370.478 3.667 50 30 FHEARN Cc1c(C#N)c(NC(=O)COc2ccccc2)sc1C(=O)OC(C)C ZINC000000996214 571141302 /nfs/dbraw/zinc/14/13/02/571141302.db2.gz UMQJKBCTMZTJSW-UHFFFAOYSA-N 0 0 358.419 3.511 50 30 FHEARN C[C@H](Sc1nnc(CC2CCCC2)[nH]1)C(=O)Nc1sccc1C#N ZINC000025244651 571141873 /nfs/dbraw/zinc/14/18/73/571141873.db2.gz WDJBEUYPVBZFJZ-JTQLQIEISA-N 0 0 361.496 3.590 50 30 FHEARN O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(-n2ccnc2)cc1 ZINC000024050893 571147615 /nfs/dbraw/zinc/14/76/15/571147615.db2.gz UCFOJGHYFFEYHM-UHFFFAOYSA-N 0 0 369.346 3.673 50 30 FHEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccccc2OC)C1=O ZINC000001165772 571148735 /nfs/dbraw/zinc/14/87/35/571148735.db2.gz OJDVGSKEWBTKAD-FOWTUZBSSA-N 0 0 367.426 3.849 50 30 FHEARN COc1ccc(Br)c(C(=O)Oc2ccc(C#N)cc2OC)c1 ZINC000015988317 571148959 /nfs/dbraw/zinc/14/89/59/571148959.db2.gz KVHCSVPWLOENOS-UHFFFAOYSA-N 0 0 362.179 3.557 50 30 FHEARN CCOC(=O)c1nn(-c2ccccc2)cc1/C=C1\Cc2c(cccc2O)C1=O ZINC000207056561 571149576 /nfs/dbraw/zinc/14/95/76/571149576.db2.gz SJYNMCMGWWEEQW-SDNWHVSQSA-N 0 0 374.396 3.577 50 30 FHEARN COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Br)c1O ZINC000016194979 571156671 /nfs/dbraw/zinc/15/66/71/571156671.db2.gz IOBCYWIQTKLRLD-GHXNOFRVSA-N 0 0 374.190 3.508 50 30 FHEARN Cc1ccc(O)c(C(=O)C2=CSc3nnc(-c4ccccc4)n3N=C2)c1 ZINC000075271051 571158819 /nfs/dbraw/zinc/15/88/19/571158819.db2.gz OGUWYQCZVQLMCK-UHFFFAOYSA-N 0 0 362.414 3.666 50 30 FHEARN CC(=O)[C@H](C)Sc1nc2c(c(-c3cccs3)c1C#N)CN(C)CC2 ZINC000075286226 571159978 /nfs/dbraw/zinc/15/99/78/571159978.db2.gz DULHHTRBFKITNV-LBPRGKRZSA-N 0 0 357.504 3.739 50 30 FHEARN COc1cc2c(cc1OC)[C@H](C#N)N(C)[C@@H](Cc1c[nH]c3ccccc13)C2 ZINC000071769233 571166245 /nfs/dbraw/zinc/16/62/45/571166245.db2.gz LIFURDFPQZSGJI-UZLBHIALSA-N 0 0 361.445 3.849 50 30 FHEARN CCOC(=O)O[C@H]1C=CC(=O)[C@H](C(c2ccccc2)c2ccccc2)O1 ZINC000071769428 571166261 /nfs/dbraw/zinc/16/62/61/571166261.db2.gz CRSWRKWFHGPIFF-AZUAARDMSA-N 0 0 352.386 3.842 50 30 FHEARN CCOc1ccc(Cl)cc1C(=O)N=C(N)NC1CCCCCCC1 ZINC000071775205 571166558 /nfs/dbraw/zinc/16/65/58/571166558.db2.gz MXJAEAIOIXREJZ-UHFFFAOYSA-N 0 0 351.878 3.896 50 30 FHEARN Cc1ccc(C[C@H]2S/C(=N\N=C\c3ccc(Cl)cc3)NC2=O)cc1 ZINC000006211961 571166697 /nfs/dbraw/zinc/16/66/97/571166697.db2.gz SVOONLMPFOIDRT-MBTVCVBTSA-N 0 0 357.866 3.813 50 30 FHEARN COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O ZINC000005898985 571167894 /nfs/dbraw/zinc/16/78/94/571167894.db2.gz OQWJPAYXKRJILU-JWHLFPLYSA-N 0 0 358.777 3.897 50 30 FHEARN CCOc1ccc2c(c1)O/C(=C\c1cc(OC)c(OC)c(OC)c1)C2=O ZINC000005906350 571168122 /nfs/dbraw/zinc/16/81/22/571168122.db2.gz GSKSNHNJUQGSIF-PXNMLYILSA-N 0 0 356.374 3.727 50 30 biogenic FHEARN CCOc1cc(/C=C2/S/C(=N/c3ccccc3F)NC2=O)ccc1O ZINC000005997001 571170324 /nfs/dbraw/zinc/17/03/24/571170324.db2.gz SSKFKPDWOYUVAW-MHWRWJLKSA-N 0 0 358.394 3.822 50 30 FHEARN COc1cc(OC)cc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 ZINC000012538378 571176601 /nfs/dbraw/zinc/17/66/01/571176601.db2.gz GVHLZDPHOLLIAZ-UHFFFAOYSA-N 0 0 358.397 3.751 50 30 FHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 ZINC000019138079 571179142 /nfs/dbraw/zinc/17/91/42/571179142.db2.gz LNBXOGPZZCLSHB-SFHVURJKSA-N 0 0 351.377 3.898 50 30 FHEARN C=C1[C@H](C(=O)N2c3ccccc3C[C@H]2C)[C@H]1C(=O)N1c2ccccc2C[C@@H]1C ZINC000012559442 571181927 /nfs/dbraw/zinc/18/19/27/571181927.db2.gz GWZQTOHOERXPOC-QQVJTJINSA-N 0 0 372.468 3.744 50 30 FHEARN COC(=O)c1ccccc1CSc1nsc(/C=C/N(C)C)c1C#N ZINC000052525242 571189599 /nfs/dbraw/zinc/18/95/99/571189599.db2.gz INTYVQYOLVFKDX-CMDGGOBGSA-N 0 0 359.476 3.626 50 30 FHEARN Cc1nnc(NCCNc2ncc(C(F)(F)F)cc2Cl)c(C#N)c1C ZINC000026722989 571195351 /nfs/dbraw/zinc/19/53/51/571195351.db2.gz OTUKDAIOHNUWTN-UHFFFAOYSA-N 0 0 370.766 3.556 50 30 FHEARN O=C(Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O)C1CC1 ZINC000001852839 571198037 /nfs/dbraw/zinc/19/80/37/571198037.db2.gz XMHSSKMTLAWHAX-MFOYZWKCSA-N 0 0 351.314 3.526 50 30 FHEARN C=C(C)CN(CC)C(=O)[C@H](C)N(C)Cc1ccccc1OC(F)(F)F ZINC000075572261 571201052 /nfs/dbraw/zinc/20/10/52/571201052.db2.gz OHTGBBXPYDSWSF-AWEZNQCLSA-N 0 0 358.404 3.830 50 30 FHEARN C[C@@H](C(=O)NC1(C#N)CCCCC1)N(C)Cc1ccc(C(F)(F)F)cc1 ZINC000016623881 571204555 /nfs/dbraw/zinc/20/45/55/571204555.db2.gz CVSOXFGMPVUBEO-AWEZNQCLSA-N 0 0 367.415 3.868 50 30 FHEARN Cc1cccc2c1c(-c1ccc(C(=O)N3CCC[C@@H](C#N)C3)cc1)nn2C ZINC000534578498 571204781 /nfs/dbraw/zinc/20/47/81/571204781.db2.gz KZUGUFUNXWJOMI-INIZCTEOSA-N 0 0 358.445 3.925 50 30 FHEARN Cc1ccc2[nH]c(SCC(=O)N(CCC#N)c3ccccc3)nc2c1 ZINC000006506490 571205854 /nfs/dbraw/zinc/20/58/54/571205854.db2.gz LQYBEZOJTOPKAF-UHFFFAOYSA-N 0 0 350.447 3.910 50 30 FHEARN C=CCOc1ccc(/C=C/C(=O)N[C@H](c2nccn2C)c2ccccc2)cc1 ZINC000012627397 571209969 /nfs/dbraw/zinc/20/99/69/571209969.db2.gz XKFJWUKPIRAUHO-FZNBYNMYSA-N 0 0 373.456 3.904 50 30 FHEARN CCc1noc([C@@H]2CCCN2C(=O)CC2=C(c3ccccc3)CCC2=O)n1 ZINC000426566870 571231811 /nfs/dbraw/zinc/23/18/11/571231811.db2.gz KADGEBAXYFIQLA-KRWDZBQOSA-N 0 0 365.433 3.502 50 30 FHEARN CC/N=C1\S/C(=C/c2cc(Cl)c(OC)c(OC)c2)C(=O)N1CC ZINC000033349786 571237003 /nfs/dbraw/zinc/23/70/03/571237003.db2.gz PBLPJDPIGBTGLS-SIJMIEFHSA-N 0 0 354.859 3.669 50 30 FHEARN COc1cc2c(c(C)c1)C(=O)/C(=C/c1ccc(OC)c(OC)c1OC)O2 ZINC000006624132 571237456 /nfs/dbraw/zinc/23/74/56/571237456.db2.gz ZLWCCOOVBTZPAR-SXGWCWSVSA-N 0 0 356.374 3.646 50 30 biogenic FHEARN Cc1cc(Br)ccc1NC(=O)c1ccc(NC(=O)CC#N)cc1 ZINC000006651429 571239353 /nfs/dbraw/zinc/23/93/53/571239353.db2.gz PGHGPLPCSGRNDA-UHFFFAOYSA-N 0 0 372.222 3.862 50 30 FHEARN CN1c2ccc(Cl)cc2[C@@](O)(CC(=O)C=CC=Cc2ccccc2)C1=O ZINC000169618366 571244176 /nfs/dbraw/zinc/24/41/76/571244176.db2.gz UWACZYOBENUMQP-ZWRCVPGVSA-N 0 0 367.832 3.733 50 30 FHEARN N#CCc1ccc(OC[C@@H](O)CSc2ccc3ccccc3n2)cc1 ZINC000007032040 571257841 /nfs/dbraw/zinc/25/78/41/571257841.db2.gz KDEQCURIDGIGAP-QGZVFWFLSA-N 0 0 350.443 3.833 50 30 FHEARN C=CCn1c(SCc2cc(=O)oc3c(C)c(O)ccc23)nnc1C1CC1 ZINC000036832832 571263374 /nfs/dbraw/zinc/26/33/74/571263374.db2.gz JYCNWGJFWPVQDS-UHFFFAOYSA-N 0 0 369.446 3.754 50 30 FHEARN C=C(C)CN(CC)C(=O)[C@H](C)Sc1n[nH]c(-c2ccc(CC)cc2)n1 ZINC000042212298 571269769 /nfs/dbraw/zinc/26/97/69/571269769.db2.gz DNZJCXIXCFHAHI-AWEZNQCLSA-N 0 0 358.511 3.939 50 30 FHEARN COC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3F)NC2=O)cc1 ZINC000013424150 571271085 /nfs/dbraw/zinc/27/10/85/571271085.db2.gz RJQSHJFSUNZCAR-GDNBJRDFSA-N 0 0 356.378 3.504 50 30 FHEARN Cc1ccc(Sc2ccc(NC(=O)Cn3cnc(C#N)n3)cc2)cc1C ZINC000014143701 571271704 /nfs/dbraw/zinc/27/17/04/571271704.db2.gz PXYCHUUKDOYLJZ-UHFFFAOYSA-N 0 0 363.446 3.557 50 30 FHEARN C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccccc1Br ZINC000014425987 571271906 /nfs/dbraw/zinc/27/19/06/571271906.db2.gz LRWMWKKWMGXOQZ-GFCCVEGCSA-N 0 0 359.223 3.577 50 30 FHEARN COc1cc(C=NN2C(=S)N=NC2C)ccc1OCc1ccc(C)cc1 ZINC000252476754 571279652 /nfs/dbraw/zinc/27/96/52/571279652.db2.gz AYDISCJYCHFWGB-UHFFFAOYSA-N 0 0 368.462 3.653 50 30 FHEARN CN(/N=C/c1ccccc1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000252484651 571280273 /nfs/dbraw/zinc/28/02/73/571280273.db2.gz GCTBPGFTCVKYIZ-DJKKODMXSA-N 0 0 368.271 3.992 50 30 FHEARN CN(C)c1ccc(C=[NH+][N-]c2cncc([C@H](C#N)c3ccccc3)n2)cc1 ZINC000252600768 571284574 /nfs/dbraw/zinc/28/45/74/571284574.db2.gz DUQKHLJZEIEDSL-LJQANCHMSA-N 0 0 356.433 3.644 50 30 FHEARN CN(C)C=Nc1c(C#N)cnn1-c1ncnc2sc(-c3ccccc3)cc21 ZINC000252602408 571284745 /nfs/dbraw/zinc/28/47/45/571284745.db2.gz FHLLSNOWUNQSQR-UHFFFAOYSA-N 0 0 373.445 3.637 50 30 FHEARN COCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=Nc1ccccc1 ZINC000252614620 571285957 /nfs/dbraw/zinc/28/59/57/571285957.db2.gz JKYOUSSWSZGYNG-DOZOSFQVSA-N 0 0 368.458 3.946 50 30 FHEARN CCOC(=O)c1c(C)c(C)sc1NC(=O)CON=Cc1ccccc1 ZINC000252621219 571288255 /nfs/dbraw/zinc/28/82/55/571288255.db2.gz MVLMWVOEGRXZTA-UHFFFAOYSA-N 0 0 360.435 3.531 50 30 FHEARN CCOC(=O)c1sc(=S)n(C)c1NC(=O)c1ccc(OC)cc1 ZINC000002234096 571292693 /nfs/dbraw/zinc/29/26/93/571292693.db2.gz GNKFOBBYKBZUOF-UHFFFAOYSA-N 0 0 352.437 3.638 50 30 FHEARN COc1ccc(NC(=O)c2cn3c4ccccc4nc3c(C#N)c2C)cc1 ZINC000002352732 571318874 /nfs/dbraw/zinc/31/88/74/571318874.db2.gz LUNHGBOCRZRTKF-UHFFFAOYSA-N 0 0 356.385 3.929 50 30 FHEARN CCOc1ccc(NC(=O)NCc2csc(CSC)n2)cc1C#N ZINC000299789351 571318898 /nfs/dbraw/zinc/31/88/98/571318898.db2.gz XVAKZJQXRHDTFY-UHFFFAOYSA-N 0 0 362.480 3.598 50 30 FHEARN N#Cc1c(N)n(-c2ccc(Br)cc2)c2nc3ccccc3nc12 ZINC000000636277 571319121 /nfs/dbraw/zinc/31/91/21/571319121.db2.gz ZARJQDOAZVJYNA-UHFFFAOYSA-N 0 0 364.206 3.790 50 30 FHEARN C=C(C)Cn1c(SC)nc2sc3c(c2c1=O)C[C@@](C)(CC)OC3 ZINC000002371981 571319989 /nfs/dbraw/zinc/31/99/89/571319989.db2.gz SNZAHIWUMIKSAP-QGZVFWFLSA-N 0 0 350.509 3.997 50 30 FHEARN Cn1cc(-c2cc(-c3cccnc3)nc(N)c2C#N)c(-c2ccccc2)n1 ZINC000067772691 571321868 /nfs/dbraw/zinc/32/18/68/571321868.db2.gz FYMQCRIOCOPTBD-UHFFFAOYSA-N 0 0 352.401 3.665 50 30 FHEARN COc1ccc(/C=C2\Oc3cc(OC(=O)C4CC4)ccc3C2=O)c(OC)c1 ZINC000012662821 571322621 /nfs/dbraw/zinc/32/26/21/571322621.db2.gz QPHMCZGCLFZRBS-OCKHKDLRSA-N 0 0 366.369 3.635 50 30 FHEARN COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)C4CC4)ccc3C2=O)c1 ZINC000012662616 571322625 /nfs/dbraw/zinc/32/26/25/571322625.db2.gz ODRINHLXFDUGIN-GRSHGNNSSA-N 0 0 366.369 3.635 50 30 FHEARN COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)N(C)C)ccc2C1=O ZINC000012860428 571322795 /nfs/dbraw/zinc/32/27/95/571322795.db2.gz AEEGMAALJWKTOQ-FHTUUITISA-N 0 0 365.385 3.928 50 30 FHEARN CS/C(=N\C#N)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000012953090 571322860 /nfs/dbraw/zinc/32/28/60/571322860.db2.gz OCGXRDYXRWXMFO-XDOYNYLZSA-N 0 0 350.491 3.594 50 30 FHEARN N#Cc1ccccc1CN1CCc2[nH]nc(-c3cc(F)ccc3F)c2C1 ZINC000019146200 571323418 /nfs/dbraw/zinc/32/34/18/571323418.db2.gz ZHDCTIASISEPQW-UHFFFAOYSA-N 0 0 350.372 3.785 50 30 FHEARN COc1cc(NC(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)ccn1 ZINC000329462265 571327341 /nfs/dbraw/zinc/32/73/41/571327341.db2.gz TWKTTXVTIDTNII-ZDUSSCGKSA-N 0 0 372.494 3.851 50 30 FHEARN COc1ccc(-n2c(Nc3cccc(C#N)c3)c3[nH]cccc-3c2=O)cc1 ZINC000021106471 571332656 /nfs/dbraw/zinc/33/26/56/571332656.db2.gz QUVHWUKKCTYUSE-FQEVSTJZSA-N 0 0 356.385 3.733 50 30 FHEARN COc1ccccc1CCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000021143908 571333163 /nfs/dbraw/zinc/33/31/63/571333163.db2.gz PTZXRHNTZYGAQH-UHFFFAOYSA-N 0 0 361.363 3.815 50 30 FHEARN N#Cc1ccc(NS(=O)(=O)c2cccc(COc3ccccc3)c2)cc1 ZINC000096182574 571334792 /nfs/dbraw/zinc/33/47/92/571334792.db2.gz DZWIRRMZNRTZCX-UHFFFAOYSA-N 0 0 364.426 3.938 50 30 FHEARN C=CCn1c(SCc2cccc(C(N)=O)c2)nnc1-c1ccc(C)cc1 ZINC000096294584 571335137 /nfs/dbraw/zinc/33/51/37/571335137.db2.gz PEOLUPRBGXZYRA-UHFFFAOYSA-N 0 0 364.474 3.831 50 30 FHEARN COc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccccc3)[NH+](C)C)o2)cc1 ZINC000027991198 571337383 /nfs/dbraw/zinc/33/73/83/571337383.db2.gz JZFRDJGGBPQWMD-IBGZPJMESA-N 0 0 362.433 3.937 50 30 FHEARN CC(C)Cc1nc(C#N)c(NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000027992011 571337392 /nfs/dbraw/zinc/33/73/92/571337392.db2.gz JHTZCLGFZZURGX-GOSISDBHSA-N 0 0 355.486 3.526 50 30 FHEARN CCN1c2ccc(NC(=O)COc3ccc(C#N)cc3)c3cccc(c23)C1=O ZINC000002631715 571339623 /nfs/dbraw/zinc/33/96/23/571339623.db2.gz PLDVWSJKIOLQOB-UHFFFAOYSA-N 0 0 371.396 3.709 50 30 FHEARN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)Nc3cccc(C#N)c3)n2)n1 ZINC000002652573 571340156 /nfs/dbraw/zinc/34/01/56/571340156.db2.gz PFHDMUQWUDBGHI-UHFFFAOYSA-N 0 0 351.797 3.662 50 30 FHEARN CCCN(Cc1ccc(C#N)cc1)C(=O)Nc1snc(C)c1C(=O)OC ZINC000056322718 571340435 /nfs/dbraw/zinc/34/04/35/571340435.db2.gz SSAVNQMCJKRVII-UHFFFAOYSA-N 0 0 372.450 3.554 50 30 FHEARN COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Br)c1O ZINC000002749700 571340774 /nfs/dbraw/zinc/34/07/74/571340774.db2.gz HXSMAQWZSDJORW-UHFFFAOYSA-N 0 0 359.175 3.626 50 30 FHEARN CC(C)c1ccc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000028912914 571341372 /nfs/dbraw/zinc/34/13/72/571341372.db2.gz FTTGWMYBERLJHK-NTEUORMPSA-N 0 0 371.414 3.772 50 30 FHEARN C[C@H](c1nc2ccccc2s1)N(C)CC(=O)N(C)C1(C#N)CCCCC1 ZINC000057352491 571342651 /nfs/dbraw/zinc/34/26/51/571342651.db2.gz SLEIBKAHQKCXLA-OAHLLOKOSA-N 0 0 370.522 3.974 50 30 FHEARN CN(C)/C=N\C(=S)c1cccn1-c1ncc(C(F)(F)F)cc1Cl ZINC000029763543 571342913 /nfs/dbraw/zinc/34/29/13/571342913.db2.gz ZRJIKZNBWMZSSW-ZBKNUEDVSA-N 0 0 360.792 3.810 50 30 FHEARN O=S(=O)(CCSc1ccc(Cl)cc1)OCC(F)(F)C(F)F ZINC000003037132 571343846 /nfs/dbraw/zinc/34/38/46/571343846.db2.gz BSYPPXKSSYYYNO-UHFFFAOYSA-N 0 0 366.785 3.679 50 30 FHEARN C[C@H](c1ccccn1)N(C(=O)CSCc1ccc(C#N)cc1)C1CC1 ZINC000057514095 571344023 /nfs/dbraw/zinc/34/40/23/571344023.db2.gz YOXUBACEJRISCP-OAHLLOKOSA-N 0 0 351.475 3.939 50 30 FHEARN C=CCn1c(Cc2csc(NC(=O)c3ccccc3C)n2)n[nH]c1=S ZINC000030688533 571347523 /nfs/dbraw/zinc/34/75/23/571347523.db2.gz XYIBREAKUCFBOM-UHFFFAOYSA-N 0 0 371.491 3.735 50 30 FHEARN N#Cc1ccc(S(=O)(=O)Nc2ccc(Br)cc2Cl)cc1 ZINC000003348229 571348007 /nfs/dbraw/zinc/34/80/07/571348007.db2.gz SDNWAJDTXIFMRM-UHFFFAOYSA-N 0 0 371.643 3.775 50 30 FHEARN COc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc1O ZINC000217681970 571349921 /nfs/dbraw/zinc/34/99/21/571349921.db2.gz OZZLSMBAHSNVKW-CYBMUJFWSA-N 0 0 366.369 3.711 50 30 FHEARN N#Cc1ccccc1OCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000003455938 571350068 /nfs/dbraw/zinc/35/00/68/571350068.db2.gz NVLXJEDHMLHSMQ-MRXNPFEDSA-N 0 0 363.442 3.910 50 30 FHEARN C=CCn1c2scc(CC(C)C)c2c2nc(-c3ccncc3)nn2c1=O ZINC000031817396 571353877 /nfs/dbraw/zinc/35/38/77/571353877.db2.gz BNJOBDLQVHOQFU-UHFFFAOYSA-N 0 0 365.462 3.552 50 30 FHEARN C=CCn1c2scc(CC(C)C)c2c2nc(-c3ccco3)nn2c1=O ZINC000032073737 571355403 /nfs/dbraw/zinc/35/54/03/571355403.db2.gz QDSMUDVYJXTSKQ-UHFFFAOYSA-N 0 0 354.435 3.750 50 30 FHEARN CC(C)(C)c1nc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc2o1 ZINC000032097509 571355758 /nfs/dbraw/zinc/35/57/58/571355758.db2.gz AAVIWDVEFSHDPG-UHFFFAOYSA-N 0 0 355.419 3.798 50 30 FHEARN Cc1cc(C)cc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CCC3)c1 ZINC000004192850 571356643 /nfs/dbraw/zinc/35/66/43/571356643.db2.gz PZWBIUGOVIMMKQ-UHFFFAOYSA-N 0 0 365.458 3.820 50 30 FHEARN CC/N=C1\S/C(=C/c2cn(C(C)=O)nc2-c2ccccc2)C(=O)N1CC ZINC000032234909 571356807 /nfs/dbraw/zinc/35/68/07/571356807.db2.gz FHVOWLZADYKQMF-DOXJHMMXSA-N 0 0 368.462 3.522 50 30 FHEARN CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccco1 ZINC000229742301 571357368 /nfs/dbraw/zinc/35/73/68/571357368.db2.gz OUCQPFCLFGZBQQ-HKBOAZHASA-N 0 0 353.418 3.678 50 30 FHEARN COc1cccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CC3)C4)C2=O)c1 ZINC000032502146 571357740 /nfs/dbraw/zinc/35/77/40/571357740.db2.gz YNBUSWJCQVHMAV-OCKHKDLRSA-N 0 0 363.413 3.934 50 30 FHEARN N#CC1(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)CCCC1 ZINC000008157134 571359618 /nfs/dbraw/zinc/35/96/18/571359618.db2.gz LZZHGKXVYTTWAM-HXUWFJFHSA-N 0 0 365.502 3.648 50 30 FHEARN C#CCOc1ccc(/C=C\C(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC ZINC000096766250 940958294 /nfs/dbraw/zinc/95/82/94/940958294.db2.gz CDYSOBRGBZZSFD-WZUFQYTHSA-N 0 0 351.358 3.902 50 30 FHEARN CCOc1c(Br)cc(/C=C2\Cn3cccc3C2=O)cc1OC ZINC000024980902 945720348 /nfs/dbraw/zinc/72/03/48/945720348.db2.gz JTOVXEHMPWZGBA-KPKJPENVSA-N 0 0 362.223 3.938 50 30 FHEARN COc1cccc(F)c1[C@H](C)NC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000598995576 946553594 /nfs/dbraw/zinc/55/35/94/946553594.db2.gz VWUYGVGAIBFXHP-AWEZNQCLSA-N 0 0 367.424 3.729 50 30 FHEARN C/N=C1\S/C(=C/c2ccc(OC)c(OC)c2)C(=O)N1C1CCCCC1 ZINC000033291266 209856228 /nfs/dbraw/zinc/85/62/28/209856228.db2.gz SSRCVMJJMNARSB-QHHAONBESA-N 0 0 360.479 3.939 50 30 FHEARN CC1(C)CC(OC(=O)c2ccco2)CC(C)(C)N1OC(=O)c1ccco1 ZINC000001087971 219367196 /nfs/dbraw/zinc/36/71/96/219367196.db2.gz AQHPPFPLISGOHN-UHFFFAOYSA-N 0 0 361.394 3.823 50 30 FHEARN CC1=C(C(=O)N2CCCCC2)[C@H](c2cccs2)C2=C(CCCC2=O)N1 ZINC000001125227 219375330 /nfs/dbraw/zinc/37/53/30/219375330.db2.gz UJPKCEBZOLMXRZ-IBGZPJMESA-N 0 0 356.491 3.729 50 30 FHEARN C=C(C)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1-c1ccccc1 ZINC000003454647 219511469 /nfs/dbraw/zinc/51/14/69/219511469.db2.gz XWBDGJHRENWRNJ-UHFFFAOYSA-N 0 0 366.442 3.841 50 30 FHEARN N#Cc1cccc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000021964819 209658458 /nfs/dbraw/zinc/65/84/58/209658458.db2.gz UJYKBTNBWXYGIE-UHFFFAOYSA-N 0 0 373.378 3.535 50 30 FHEARN COc1ccc(-n2nc(C#N)c(N3CCC(Cc4ccccc4)CC3)n2)cc1 ZINC000025183568 209622201 /nfs/dbraw/zinc/62/22/01/209622201.db2.gz VYUOCOYABFZLFQ-UHFFFAOYSA-N 0 0 373.460 3.607 50 30 FHEARN C[C@H]1CCc2c(C#N)c(NC(=O)COc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000001959801 209393863 /nfs/dbraw/zinc/39/38/63/209393863.db2.gz ODSOPTGWEBTDFB-NSHDSACASA-N 0 0 371.418 3.670 50 30 FHEARN COc1ccc2nc(SCC(=O)Nc3ncc(C)s3)c(C#N)cc2c1 ZINC000000917560 209382179 /nfs/dbraw/zinc/38/21/79/209382179.db2.gz MDVXSYVYBKMJHN-UHFFFAOYSA-N 0 0 370.459 3.611 50 30 FHEARN Nc1c(-c2nc3ccccc3[nH]2)c(O)cn1N=Cc1cc(Cl)ccc1O ZINC000102731012 209241470 /nfs/dbraw/zinc/24/14/70/209241470.db2.gz YLVFELQILVMNLE-KAUTYAIWSA-N 0 0 367.796 3.518 50 30 FHEARN Nc1c(-c2nc3ccccc3s2)c(O)cn1N=Cc1ccccc1O ZINC000102731117 209241320 /nfs/dbraw/zinc/24/13/20/209241320.db2.gz MNACVOPBENBYIY-RICWVNQTSA-N 0 0 350.403 3.598 50 30 FHEARN O=C1c2ccccc2C(=O)C1=CNc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000100943207 209220539 /nfs/dbraw/zinc/22/05/39/209220539.db2.gz JFHYONHBKZOKML-UHFFFAOYSA-N 0 0 362.263 3.989 50 30 FHEARN C[C@H](Oc1ccc(C(C)(C)C)cc1)c1ccnc2nc(/N=C/N(C)C)nn21 ZINC000100819116 209219237 /nfs/dbraw/zinc/21/92/37/209219237.db2.gz XXJZXWHJOWHGRD-KOUDTOEKSA-N 0 0 366.469 3.783 50 30 FHEARN O=C1c2ccccc2/C(=N\S(=O)(=O)c2ccc(Cl)cc2)C=C1Cl ZINC000100323874 209212131 /nfs/dbraw/zinc/21/21/31/209212131.db2.gz LXVBTGUJNQBBFO-CYVLTUHYSA-N 0 0 366.225 3.837 50 30 FHEARN O=C1c2ccccc2C(=O)C(n2nnc3ccccc32)=C1Nc1ccccc1 ZINC000100119271 209208630 /nfs/dbraw/zinc/20/86/30/209208630.db2.gz FTQMFDAFXFUHJY-UHFFFAOYSA-N 0 0 366.380 3.791 50 30 FHEARN CC1CCN(CN2c3ccccc3/C(=N\c3cccc(F)c3)C2=O)CC1 ZINC000100067659 209208710 /nfs/dbraw/zinc/20/87/10/209208710.db2.gz YZCJMBXHWPHCQW-BSYVCWPDSA-N 0 0 351.425 3.983 50 30 FHEARN CCCCCCCCn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C ZINC000097944162 209200989 /nfs/dbraw/zinc/20/09/89/209200989.db2.gz FZROCJVYABYANX-UHFFFAOYSA-N 0 0 366.531 3.532 50 30 FHEARN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000097162340 209172085 /nfs/dbraw/zinc/17/20/85/209172085.db2.gz SZWLTIVDLUEAMB-LLVKDONJSA-N 0 0 354.753 3.625 50 30 FHEARN N#Cc1cccc(NC(=O)C(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)c1 ZINC000097001672 209167145 /nfs/dbraw/zinc/16/71/45/209167145.db2.gz PXIFWZRYRAXYFV-HXUWFJFHSA-N 0 0 372.428 3.732 50 30 FHEARN COc1cc(OC)c(C(=O)/C=C\c2cnc(N3CCCC3)nc2)cc1Cl ZINC000097053875 209168794 /nfs/dbraw/zinc/16/87/94/209168794.db2.gz ZYWOTUOTFIPYJK-WAYWQWQTSA-N 0 0 373.840 3.644 50 30 FHEARN COc1ccc(C(=O)C2CCN(C(=O)C=Cc3ccccc3C#N)CC2)cc1 ZINC000096940937 209164517 /nfs/dbraw/zinc/16/45/17/209164517.db2.gz MTLUPCIYYOABQA-FLIBITNWSA-N 0 0 374.440 3.702 50 30 FHEARN CCCOc1ccc(/C=C\C(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1 ZINC000096759321 209157830 /nfs/dbraw/zinc/15/78/30/209157830.db2.gz KORKHTHDGNDGKI-AUWJEWJLSA-N 0 0 367.445 3.839 50 30 FHEARN COc1cc(/C=C\C(=O)c2ccc3c(c2)OCCCO3)cc2c1OCCO2 ZINC000096399840 209153844 /nfs/dbraw/zinc/15/38/44/209153844.db2.gz SDFJDAAISBVNMT-HYXAFXHYSA-N 0 0 368.385 3.524 50 30 FHEARN Cc1ccc(C2=N/C(=C/c3ccc(N(C)CCC#N)cc3)C(=O)O2)s1 ZINC000096403035 209152833 /nfs/dbraw/zinc/15/28/33/209152833.db2.gz DPVLLVJKUQJRJV-FOWTUZBSSA-N 0 0 351.431 3.751 50 30 FHEARN Cc1cc(I)ccc1/N=C1/C(=O)Nc2ccccc21 ZINC000006390155 206694055 /nfs/dbraw/zinc/69/40/55/206694055.db2.gz AFRZZIPNCAKKRV-UHFFFAOYSA-N 0 0 362.170 3.673 50 30 FHEARN C=CCN(Cc1ccco1)C(=O)c1ccc(CSc2ncccn2)o1 ZINC000065371589 206701638 /nfs/dbraw/zinc/70/16/38/206701638.db2.gz YXAAEZHWOXEWPO-UHFFFAOYSA-N 0 0 355.419 3.783 50 30 FHEARN C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000004840311 206707755 /nfs/dbraw/zinc/70/77/55/206707755.db2.gz FOMMXPFEEUDCSM-UHFFFAOYSA-N 0 0 372.490 3.701 50 30 FHEARN C=CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000006892754 206710637 /nfs/dbraw/zinc/71/06/37/206710637.db2.gz YXEFYCQKTITXPK-CYBMUJFWSA-N 0 0 374.487 3.501 50 30 FHEARN O=C(Nc1cccc(C#Cc2cccs2)c1)[C@@H]1COc2ccccc2O1 ZINC000024973638 206749710 /nfs/dbraw/zinc/74/97/10/206749710.db2.gz CKTIOSSPEYQYLN-FQEVSTJZSA-N 0 0 361.422 3.926 50 30 FHEARN C=C(C)COc1ccc([C@@H]2CC(=O)Oc3cc4c(cc32)OCO4)cc1OC ZINC000217671505 206758878 /nfs/dbraw/zinc/75/88/78/206758878.db2.gz GDKLOAODGZFEAV-AWEZNQCLSA-N 0 0 368.385 3.820 50 30 FHEARN C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(F)cc1 ZINC000026963011 206751535 /nfs/dbraw/zinc/75/15/35/206751535.db2.gz YUYOCRHCQCVSFG-UHFFFAOYSA-N 0 0 371.408 3.519 50 30 FHEARN Cc1ccc(OC(=O)N2CCOCC2)c(C(=O)/C=C/c2ccccc2F)c1 ZINC000004996124 206800866 /nfs/dbraw/zinc/80/08/66/206800866.db2.gz NSWFJEYJZJVAKA-BQYQJAHWSA-N 0 0 369.392 3.861 50 30 FHEARN COC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(OC)cc1)C2=O ZINC000006073978 206802471 /nfs/dbraw/zinc/80/24/71/206802471.db2.gz VSSBZPALBIVFAK-FHNWIRHTSA-N 0 0 368.385 3.560 50 30 biogenic FHEARN O=C1CCCC2=C1C(c1cccc(Br)n1)C1=C(CCCC1=O)N2 ZINC000000636652 206819365 /nfs/dbraw/zinc/81/93/65/206819365.db2.gz RISKJJASRJDXES-UHFFFAOYSA-N 0 0 373.250 3.545 50 30 FHEARN NC(=S)N/N=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1 ZINC000000657925 206821465 /nfs/dbraw/zinc/82/14/65/206821465.db2.gz LFAYQENKAXDYRV-UFWORHAWSA-N 0 0 354.262 3.740 50 30 FHEARN COc1cc(/C=C2\N=C(SC)SC2=O)cc(Cl)c1OC(C)=O ZINC000001169068 206863882 /nfs/dbraw/zinc/86/38/82/206863882.db2.gz LBBKUBCNOZTEBA-YHYXMXQVSA-N 0 0 357.840 3.607 50 30 FHEARN C=CCOc1ccc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc1 ZINC000002573268 206921618 /nfs/dbraw/zinc/92/16/18/206921618.db2.gz IJSZPZOBXQWWNI-WSDLNYQXSA-N 0 0 365.458 3.784 50 30 FHEARN CNC(=S)N(CCc1c(C)[nH]c2ccc(F)cc21)Cc1cccnc1 ZINC000002722445 206929087 /nfs/dbraw/zinc/92/90/87/206929087.db2.gz QEQKZBDZFDKEDC-UHFFFAOYSA-N 0 0 356.470 3.971 50 30 FHEARN CON=CNc1nc2nccc([C@@H](C)Oc3ccc(C(C)(C)C)cc3)n2n1 ZINC000003134425 206957847 /nfs/dbraw/zinc/95/78/47/206957847.db2.gz HJKSIPKXGWOSBM-CYBMUJFWSA-N 0 0 368.441 3.563 50 30 in-vitro FHEARN N#Cc1ccccc1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 ZINC000003219224 206959804 /nfs/dbraw/zinc/95/98/04/206959804.db2.gz KROIYGQWZZMYLI-UHFFFAOYSA-N 0 0 370.408 3.872 50 30 FHEARN CCOC(=O)C1=C(C)NC(=Cc2cc(C)n(-c3ccccc3C)c2C)C1=O ZINC000004115501 207001508 /nfs/dbraw/zinc/00/15/08/207001508.db2.gz ZHFHWVUOXSCFCN-LDADJPATSA-N 0 0 364.445 3.753 50 30 FHEARN C=CCN1c2ccccc2[C@@](O)(CC(=O)C=CC=Cc2ccccc2)C1=O ZINC000004301635 207011116 /nfs/dbraw/zinc/01/11/16/207011116.db2.gz SGLAWCKYTLMZBX-PCYTUBISSA-N 0 0 359.425 3.636 50 30 FHEARN CSc1nc2n(n1)[C@H](c1ccc(SC)cc1)C1C(=O)CCCC1=N2 ZINC000004436057 207019570 /nfs/dbraw/zinc/01/95/70/207019570.db2.gz WRTQBTBRPXLROP-OAHLLOKOSA-N 0 0 358.492 3.744 50 30 FHEARN COc1cc2c(cc1/C=C1/S/C(=N\c3cccc(C)c3)NC1=O)OCO2 ZINC000004472371 207020967 /nfs/dbraw/zinc/02/09/67/207020967.db2.gz LVWXNUXBUOPRBU-CAOOACKPSA-N 0 0 368.414 3.624 50 30 FHEARN C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)Nc1cccc(C#N)c1 ZINC000004548480 207026609 /nfs/dbraw/zinc/02/66/09/207026609.db2.gz RPEIARUVXWARCQ-NSHDSACASA-N 0 0 368.393 3.867 50 30 FHEARN CCN1C(=O)/C(=C\c2ccc(COc3ccc(C#N)cc3)o2)SC1=S ZINC000004652250 207034246 /nfs/dbraw/zinc/03/42/46/207034246.db2.gz BXRIOASLIJWFHD-CXUHLZMHSA-N 0 0 370.455 3.951 50 30 FHEARN Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000004675527 207036827 /nfs/dbraw/zinc/03/68/27/207036827.db2.gz ANTRQWBHHBBJGG-RGVLZGJSSA-N 0 0 370.796 3.797 50 30 FHEARN COc1cc(CN=Nc2ncnc3sc4c(c32)CCCC4)ccc1O ZINC000004753964 207046625 /nfs/dbraw/zinc/04/66/25/207046625.db2.gz VFNUTEMVQGLDAG-ZVBGSRNCSA-N 0 0 354.435 3.730 50 30 FHEARN CC1(C)CC(=O)C=C(NCC2CCN(C(=S)Nc3ccccc3)CC2)C1 ZINC000004786069 207047630 /nfs/dbraw/zinc/04/76/30/207047630.db2.gz IARXEOVONHCPPF-UHFFFAOYSA-N 0 0 371.550 3.958 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccc(N(C)C)cc1 ZINC000004821539 207051558 /nfs/dbraw/zinc/05/15/58/207051558.db2.gz VUXJHYQFPWFCAW-YLJYHZDGSA-N 0 0 353.418 3.665 50 30 FHEARN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(O)cc1 ZINC000004819414 207051964 /nfs/dbraw/zinc/05/19/64/207051964.db2.gz QVOOPFAMVKEQJW-KEBDBYFISA-N 0 0 351.366 3.549 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1cccc(OC)c1OC ZINC000004919580 207062775 /nfs/dbraw/zinc/06/27/75/207062775.db2.gz ZBTFJXJOAWOGKX-HNAYVOBHSA-N 0 0 370.401 3.616 50 30 FHEARN CC(=O)c1ccc(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)cc1 ZINC000004981568 207068342 /nfs/dbraw/zinc/06/83/42/207068342.db2.gz LHWMZYSGGUNHHF-UHFFFAOYSA-N 0 0 360.413 3.688 50 30 FHEARN Cc1cccc(N2C(=O)[C@H](Oc3ccc(Cl)cc3Cl)[C@H]2C=O)c1C ZINC000004992261 207069390 /nfs/dbraw/zinc/06/93/90/207069390.db2.gz YLVVRXAFZDBZOE-NVXWUHKLSA-N 0 0 364.228 3.972 50 30 aggregator FHEARN CCOC(=O)c1sc(N)c(C#N)c1CSc1nc2ccccc2o1 ZINC000005034084 207073411 /nfs/dbraw/zinc/07/34/11/207073411.db2.gz CDNCEMOZUUKPFG-UHFFFAOYSA-N 0 0 359.432 3.812 50 30 FHEARN CCn1c2ccccc2c2nnc(N=NCc3cccc(Cl)c3O)nc21 ZINC000005004839 207070562 /nfs/dbraw/zinc/07/05/62/207070562.db2.gz ZSCXWGYMDPISQY-KEBDBYFISA-N 0 0 366.812 3.804 50 30 FHEARN Cc1sc2nc(C)n(N=C3C=CC(=O)C=C3)c(=O)c2c1-c1ccccc1 ZINC000005276900 207091178 /nfs/dbraw/zinc/09/11/78/207091178.db2.gz PQESMTCQHDPRNK-UHFFFAOYSA-N 0 0 361.426 3.641 50 30 FHEARN CSc1nnc2c3c(c(C#N)c(Nc4ccccc4)n12)CC(C)(C)OC3 ZINC000005204529 207087240 /nfs/dbraw/zinc/08/72/40/207087240.db2.gz YPNSSFIFPFWVTI-UHFFFAOYSA-N 0 0 365.462 3.918 50 30 FHEARN CN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000005445499 207100621 /nfs/dbraw/zinc/10/06/21/207100621.db2.gz PUAJWFNNFSGBGQ-OAHLLOKOSA-N 0 0 372.218 3.657 50 30 FHEARN Fc1ccccc1CO/N=C/c1cc2c(cc1Br)OCO2 ZINC000005771219 207116646 /nfs/dbraw/zinc/11/66/46/207116646.db2.gz DFZYGMGGCAMGER-CNHKJKLMSA-N 0 0 352.159 3.868 50 30 FHEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccccc2)nc1 ZINC000005646524 207111158 /nfs/dbraw/zinc/11/11/58/207111158.db2.gz ZHNDHBRMBMLIPC-NRFANRHFSA-N 0 0 373.456 3.997 50 30 FHEARN CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)o1)C1=C(CCCC1=O)N2 ZINC000005923701 207123762 /nfs/dbraw/zinc/12/37/62/207123762.db2.gz GNZLCANYRUZGKN-OAHLLOKOSA-N 0 0 371.462 3.738 50 30 FHEARN COc1c(O)cc(C=NNc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000006180399 207132593 /nfs/dbraw/zinc/13/25/93/207132593.db2.gz JCSKRUGFWVRBOU-LZYBPNLTSA-N 0 0 366.171 3.518 50 30 FHEARN N#Cc1ccccc1NC(=O)CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000006610121 207148726 /nfs/dbraw/zinc/14/87/26/207148726.db2.gz DHTLRNPCZBFUME-KRWDZBQOSA-N 0 0 362.458 3.944 50 30 FHEARN N#Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)c(Cl)c2)cc1 ZINC000006602681 207149235 /nfs/dbraw/zinc/14/92/35/207149235.db2.gz MUYORINBJDEGRN-UHFFFAOYSA-N 0 0 358.753 3.614 50 30 FHEARN O=C1CCCC2=C1C1(CCCC1)N=C(Nc1nc3ccccc3s1)N2 ZINC000006492297 207142704 /nfs/dbraw/zinc/14/27/04/207142704.db2.gz ODANYRXUIXFPLA-UHFFFAOYSA-N 0 0 352.463 3.987 50 30 FHEARN CCn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccccc1 ZINC000006788697 207165508 /nfs/dbraw/zinc/16/55/08/207165508.db2.gz DCKAJDVMJMXXMK-UHFFFAOYSA-N 0 0 369.475 3.629 50 30 FHEARN C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(C#N)c(Cl)c2)CC1=O ZINC000006882212 207175198 /nfs/dbraw/zinc/17/51/98/207175198.db2.gz FXERTECWEPGMKG-XJKSGUPXSA-N 0 0 367.836 3.760 50 30 FHEARN COc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1OC ZINC000006847203 207171672 /nfs/dbraw/zinc/17/16/72/207171672.db2.gz XILWXLJREWGOKE-MHWRWJLKSA-N 0 0 358.394 3.735 50 30 FHEARN N#Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1 ZINC000007036851 207184760 /nfs/dbraw/zinc/18/47/60/207184760.db2.gz HFFZYSRHGZRYNS-UHFFFAOYSA-N 0 0 374.425 3.819 50 30 FHEARN Cc1cccc(-n2ccnc2SCC(=O)Nc2sccc2C#N)c1 ZINC000007060992 207185044 /nfs/dbraw/zinc/18/50/44/207185044.db2.gz SWUDFUPWPNAYSI-UHFFFAOYSA-N 0 0 354.460 3.845 50 30 FHEARN Cc1nc(SCC(=O)Nc2ccnn2C2CCCC2)c(C#N)c(C)c1C ZINC000007058578 207185906 /nfs/dbraw/zinc/18/59/06/207185906.db2.gz VUJODSXIDUXHQB-UHFFFAOYSA-N 0 0 369.494 3.921 50 30 FHEARN N#Cc1ccc(NC(=O)CN(Cc2ccco2)Cc2cccs2)cc1 ZINC000007580548 207198976 /nfs/dbraw/zinc/19/89/76/207198976.db2.gz MQFNNXASVAWGNL-UHFFFAOYSA-N 0 0 351.431 3.854 50 30 FHEARN Cc1nnc(S[C@@H](C)C(=O)Nc2sccc2C#N)n1-c1ccccc1 ZINC000007171477 207190234 /nfs/dbraw/zinc/19/02/34/207190234.db2.gz DJBHVGZNKPCHIA-NSHDSACASA-N 0 0 369.475 3.628 50 30 FHEARN N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000007217459 207191572 /nfs/dbraw/zinc/19/15/72/207191572.db2.gz CFNMEJMOTOZJIK-OAHLLOKOSA-N 0 0 369.471 3.694 50 30 FHEARN N#Cc1cccc(NC(=O)C2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 ZINC000007265574 207192274 /nfs/dbraw/zinc/19/22/74/207192274.db2.gz QEFDAHMPPCKPQZ-UHFFFAOYSA-N 0 0 372.428 3.814 50 30 FHEARN Cc1nn(CC(=O)c2ccc(C(C)C)cc2C(C)C)c(=O)c(C#N)c1C ZINC000007384955 207193616 /nfs/dbraw/zinc/19/36/16/207193616.db2.gz JQGDVWGKJWFAFI-UHFFFAOYSA-N 0 0 351.450 3.862 50 30 FHEARN N#Cc1ccsc1NC(=O)CCNc1ccc(Br)cc1 ZINC000007904770 207212421 /nfs/dbraw/zinc/21/24/21/207212421.db2.gz GTCAQYNJZXHMGC-UHFFFAOYSA-N 0 0 350.241 3.823 50 30 FHEARN CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccc(C#N)cc1 ZINC000008708701 207242246 /nfs/dbraw/zinc/24/22/46/207242246.db2.gz KSJHMTHQCZLDHC-UHFFFAOYSA-N 0 0 373.206 3.541 50 30 FHEARN N#Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)cc1 ZINC000008608464 207239825 /nfs/dbraw/zinc/23/98/25/207239825.db2.gz YHCHABWZJLVUEQ-UHFFFAOYSA-N 0 0 365.414 3.891 50 30 FHEARN CCOC(=O)C(=Cn1c2ccccc2[nH]c1=S)C(=O)c1ccccc1 ZINC000008651900 207240696 /nfs/dbraw/zinc/24/06/96/207240696.db2.gz PLJNLLYOTQEQHN-WYMLVPIESA-N 0 0 352.415 3.986 50 30 FHEARN Cc1c(C)n(C2CCCC2)c(NC(=O)CN(C)Cc2ccco2)c1C#N ZINC000008751898 207247645 /nfs/dbraw/zinc/24/76/45/207247645.db2.gz ZUQSZADWBPNOBS-UHFFFAOYSA-N 0 0 354.454 3.755 50 30 FHEARN CCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccc(F)cc1 ZINC000008881692 207251474 /nfs/dbraw/zinc/25/14/74/207251474.db2.gz KOHDQTAMMSYKMZ-UHFFFAOYSA-N 0 0 366.421 3.951 50 30 FHEARN CN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)cc2)SC1=S ZINC000009310671 207263867 /nfs/dbraw/zinc/26/38/67/207263867.db2.gz MEEHYVWNLSDFPN-LICLKQGHSA-N 0 0 366.467 3.968 50 30 FHEARN O=C1C[C@H](c2ccco2)CC2=Nc3ncnn3[C@@H](c3ccc(Cl)cc3)C12 ZINC000009088665 207256915 /nfs/dbraw/zinc/25/69/15/207256915.db2.gz JQRGZMDLINPLRE-XIKOKIGWSA-N 0 0 366.808 3.940 50 30 FHEARN CCc1cc(S[C@@H]2C[C@H](C)OC2=O)n2c3ccccc3nc2c1C#N ZINC000009115134 207257867 /nfs/dbraw/zinc/25/78/67/207257867.db2.gz ORWAMFQZEGSXRJ-MEDUHNTESA-N 0 0 351.431 3.718 50 30 FHEARN N#Cc1ccccc1NC(=O)CSc1nc(-c2ccc(F)cc2)c[nH]1 ZINC000009367219 207268583 /nfs/dbraw/zinc/26/85/83/207268583.db2.gz GBPSVCUQCICZMP-UHFFFAOYSA-N 0 0 352.394 3.818 50 30 FHEARN Cc1ccc(OCc2nc(CSc3ncc(C#N)c(N)n3)cs2)cc1 ZINC000009317045 207265849 /nfs/dbraw/zinc/26/58/49/207265849.db2.gz PPSCNMDPXVDMBQ-UHFFFAOYSA-N 0 0 369.475 3.567 50 30 FHEARN COCc1cc(C)nc(SCC(=O)c2cn(C)c3ccccc23)c1C#N ZINC000010007516 207292488 /nfs/dbraw/zinc/29/24/88/207292488.db2.gz MKWHAZIXXSHXCJ-UHFFFAOYSA-N 0 0 365.458 3.875 50 30 FHEARN Cc1ccc(S(=O)(=O)OCC2(c3cccs3)CCOCC2)cc1 ZINC000012370711 207365991 /nfs/dbraw/zinc/36/59/91/207365991.db2.gz OZWQPINOYPXHPX-UHFFFAOYSA-N 0 0 352.477 3.510 50 30 FHEARN N#Cc1cccnc1Sc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000012522653 207385736 /nfs/dbraw/zinc/38/57/36/207385736.db2.gz PUVMHKKVYWOOKF-UHFFFAOYSA-N 0 0 356.414 3.747 50 30 FHEARN CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccccc1C#N)O[C@H](C)C2 ZINC000012564478 207393173 /nfs/dbraw/zinc/39/31/73/207393173.db2.gz TYPJKPDEERSABD-KGLIPLIRSA-N 0 0 365.433 3.719 50 30 FHEARN Cc1cc(C(=O)COc2cccc(C#N)c2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000012631598 207404935 /nfs/dbraw/zinc/40/49/35/207404935.db2.gz MFSZOVBRRWGXMR-UHFFFAOYSA-N 0 0 374.396 3.956 50 30 FHEARN COc1cccc(CN=Nc2ncnc3c4cc(C)ccc4[nH]c32)c1OC ZINC000013598593 207472085 /nfs/dbraw/zinc/47/20/85/207472085.db2.gz VIOHGSVXIQOPNZ-AUEPDCJTSA-N 0 0 361.405 3.883 50 30 FHEARN S=C1N=NC(c2cccs2)N1N=Cc1c[nH]nc1-c1ccccc1 ZINC000013960861 207494207 /nfs/dbraw/zinc/49/42/07/207494207.db2.gz FHPZWQOMXFWQME-VCHYOVAHSA-N 0 0 352.448 3.568 50 30 FHEARN Cc1n([C@H]2c3ccccc3CC/C2=N\O)c2c([n+]1[O-])-c1ccccc1CC2 ZINC000016363234 207583221 /nfs/dbraw/zinc/58/32/21/207583221.db2.gz JVAHMFFXKIHYBZ-VWXXCCROSA-N 0 0 359.429 3.561 50 30 FHEARN CC(C)OC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCCC2 ZINC000017440248 207621392 /nfs/dbraw/zinc/62/13/92/207621392.db2.gz GHGHIKGBNIZCFJ-UHFFFAOYSA-N 0 0 360.479 3.615 50 30 FHEARN COc1ccccc1N1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N ZINC000017837096 207622501 /nfs/dbraw/zinc/62/25/01/207622501.db2.gz XCVBOXZPHOQOBA-UHFFFAOYSA-N 0 0 363.442 3.535 50 30 FHEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccncc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019227841 207649424 /nfs/dbraw/zinc/64/94/24/207649424.db2.gz LMZJTHGBXDKALU-GOSISDBHSA-N 0 0 354.450 3.637 50 30 FHEARN C=CCNC(=O)N1CCC(Cn2c3ccccc3nc2C(F)(F)F)CC1 ZINC000038536198 207908192 /nfs/dbraw/zinc/90/81/92/207908192.db2.gz DNGJSKFJBMXPLP-UHFFFAOYSA-N 0 0 366.387 3.663 50 30 FHEARN CC12CN3CC(C)(CN(C1)C3c1ccco1)C2/N=C/c1cccc2[nH]ccc21 ZINC000032095330 208025910 /nfs/dbraw/zinc/02/59/10/208025910.db2.gz KVLXXKWZWSUCQF-OPEKNORGSA-N 0 0 374.488 3.905 50 30 FHEARN CC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccccc2)C1=O ZINC000033918725 208099779 /nfs/dbraw/zinc/09/97/79/208099779.db2.gz XLKKTKRVTWBFPK-UAQCVPFCSA-N 0 0 367.474 3.939 50 30 FHEARN O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cc(=O)[nH]c2ccccc21 ZINC000032962500 208061218 /nfs/dbraw/zinc/06/12/18/208061218.db2.gz RYVXZINEXJICNH-UHFFFAOYSA-N 0 0 366.358 3.682 50 30 FHEARN CCc1nc(C#N)c(N2CCC(c3nc(-c4ccc(F)cc4)no3)CC2)o1 ZINC000035671211 208134965 /nfs/dbraw/zinc/13/49/65/208134965.db2.gz JGXDJASGDGQGGU-UHFFFAOYSA-N 0 0 367.384 3.682 50 30 FHEARN CC(C)COC(=NC(=O)c1ccc(Cl)c(Cl)c1)NC[C@@H]1CCCO1 ZINC000035817088 208137750 /nfs/dbraw/zinc/13/77/50/208137750.db2.gz RDFYJKCKIXPVSF-ZDUSSCGKSA-N 0 0 373.280 3.931 50 30 FHEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1ccc(OC)cc1)O2 ZINC000036065989 208144472 /nfs/dbraw/zinc/14/44/72/208144472.db2.gz HJASBTALPVQHNR-XDHOZWIPSA-N 0 0 353.418 3.859 50 30 FHEARN COC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2ccccn2)C1=O ZINC000036257245 208150885 /nfs/dbraw/zinc/15/08/85/208150885.db2.gz YTTDUJYKSJKTJA-RVDMUPIBSA-N 0 0 352.415 3.544 50 30 FHEARN C=CCn1cc(-c2c(C)c([C@@H]3CCOC(C)(C)C3)nc(N)c2C#N)cn1 ZINC000067868349 208184544 /nfs/dbraw/zinc/18/45/44/208184544.db2.gz ZQFUGFHERDTQME-CQSZACIVSA-N 0 0 351.454 3.566 50 30 FHEARN C=CCn1cc(-c2c(C)c([C@H]3CCOC(C)(C)C3)nc(N)c2C#N)cn1 ZINC000067868351 208184657 /nfs/dbraw/zinc/18/46/57/208184657.db2.gz ZQFUGFHERDTQME-AWEZNQCLSA-N 0 0 351.454 3.566 50 30 FHEARN N#Cc1cccc(C(=O)N[C@@H]2CCC[C@H](OC(=O)Nc3ccccc3)C2)c1 ZINC000075165903 208193678 /nfs/dbraw/zinc/19/36/78/208193678.db2.gz OITVSGONONODKR-MOPGFXCFSA-N 0 0 363.417 3.848 50 30 FHEARN N#Cc1ccccc1CSCCNC(=O)Cc1cc2ccccc2o1 ZINC000040158114 208240160 /nfs/dbraw/zinc/24/01/60/208240160.db2.gz KMPTYBBXKWQEAO-UHFFFAOYSA-N 0 0 350.443 3.897 50 30 FHEARN N#Cc1cnn2c1N=C1CCCC(=O)C1[C@H]2c1ccc(Br)cc1 ZINC000040268046 208244975 /nfs/dbraw/zinc/24/49/75/208244975.db2.gz ZKXPEWFTDPFPPG-MRXNPFEDSA-N 0 0 369.222 3.539 50 30 FHEARN N#Cc1cnn2c1N=C1CCCC(=O)C1[C@H]2c1cccc(Br)c1 ZINC000040288007 208246485 /nfs/dbraw/zinc/24/64/85/208246485.db2.gz YOEULHIWZZXHGB-MRXNPFEDSA-N 0 0 369.222 3.539 50 30 FHEARN N#Cc1ccccc1NC(=S)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000044054045 208311549 /nfs/dbraw/zinc/31/15/49/208311549.db2.gz UFLCANHVGQKQCC-QGZVFWFLSA-N 0 0 367.474 3.642 50 30 FHEARN CCOc1cc(C#N)ccc1OCc1ccc(C(=O)N2CCCC2)cc1 ZINC000048236801 208390928 /nfs/dbraw/zinc/39/09/28/208390928.db2.gz VNMJLBFSQYEDQL-UHFFFAOYSA-N 0 0 350.418 3.772 50 30 FHEARN COc1ccc(/C(C)=N/N2CCN(Cc3ccc(C)cc3C)CC2)cc1 ZINC000020190717 220318679 /nfs/dbraw/zinc/31/86/79/220318679.db2.gz FKBROFBJVVZEEA-FCDQGJHFSA-N 0 0 351.494 3.854 50 30 FHEARN C=C(CC(=O)Nc1ccc(F)cc1F)C(=O)Nc1ccc(F)cc1F ZINC000003117420 208594163 /nfs/dbraw/zinc/59/41/63/208594163.db2.gz IHEOJXHMBNVNAG-UHFFFAOYSA-N 0 0 352.287 3.767 50 30 FHEARN N#Cc1cccc(C(=O)N2CCC(c3cnn(-c4ccccc4)c3)CC2)c1 ZINC000065173068 208638321 /nfs/dbraw/zinc/63/83/21/208638321.db2.gz DTCHMOUUQMETMA-UHFFFAOYSA-N 0 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COc1cccc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)c1OC ZINC000005335593 263340069 /nfs/dbraw/zinc/34/00/69/263340069.db2.gz OCILNKKQDNEMSC-JLHYYAGUSA-N 0 0 351.402 3.727 50 30 FHEARN C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)C1CCCCC1 ZINC000006697710 263346395 /nfs/dbraw/zinc/34/63/95/263346395.db2.gz XJTXMOMURWXJDD-UHFFFAOYSA-N 0 0 355.438 3.840 50 30 FHEARN C=CCSc1ncc(Cl)c(C(=O)Nc2nnc(C(C)C)s2)n1 ZINC000006748091 263346495 /nfs/dbraw/zinc/34/64/95/263346495.db2.gz OWVPJQAXEJWJAG-UHFFFAOYSA-N 0 0 355.876 3.635 50 30 FHEARN C#CCOc1ccc(C=C2SC(NC3CCCC3)=NC2=O)cc1OCC ZINC000023218701 263386824 /nfs/dbraw/zinc/38/68/24/263386824.db2.gz LYHPAWJSBXBIFJ-AQTBWJFISA-N 0 0 370.474 3.600 50 30 FHEARN C=CCc1c(C)nn(-c2nc(CC(=O)Nc3ccc(F)cc3)cs2)c1C ZINC000033019195 263394619 /nfs/dbraw/zinc/39/46/19/263394619.db2.gz DWNJBIIAYWMJIA-UHFFFAOYSA-N 0 0 370.453 3.994 50 30 FHEARN C=CCNC(=O)COc1ccccc1-c1noc(/C=C/c2ccccc2)n1 ZINC000033325186 263395569 /nfs/dbraw/zinc/39/55/69/263395569.db2.gz WWJJYKXSDHBYPV-OUKQBFOZSA-N 0 0 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C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccccc1Cl ZINC000009095016 518939638 /nfs/dbraw/zinc/93/96/38/518939638.db2.gz SLNQLLNIDKNYDT-CYBMUJFWSA-N 0 0 358.825 3.662 50 30 FHEARN C=CCNC(=O)c1ccccc1NC(=O)c1c(C)onc1-c1ccccc1 ZINC000014093845 518941385 /nfs/dbraw/zinc/94/13/85/518941385.db2.gz ZKGIHZXLGKNLHU-UHFFFAOYSA-N 0 0 361.401 3.818 50 30 FHEARN CC(C)(C)c1cc(CNC(=O)CC2=C(c3ccccc3)CCC2=O)[nH]n1 ZINC000299796381 518998559 /nfs/dbraw/zinc/99/85/59/518998559.db2.gz NPZYCKOMZVUSOP-UHFFFAOYSA-N 0 0 351.450 3.530 50 30 FHEARN CC(C)(C)c1ccc(-c2nc(C#N)c(NCCCN3CCOCC3)o2)cc1 ZINC000020357824 519008758 /nfs/dbraw/zinc/00/87/58/519008758.db2.gz JAGHXBYCCQLTPX-UHFFFAOYSA-N 0 0 368.481 3.645 50 30 FHEARN C=CCOc1ccc(CN[C@@]2(CO)CCOc3ccccc32)cc1Cl ZINC000225649553 519035915 /nfs/dbraw/zinc/03/59/15/519035915.db2.gz CZJAJVKRQMDNHD-HXUWFJFHSA-N 0 0 359.853 3.665 50 30 FHEARN C=CCSc1nc2ccccc2n1CC(=O)NCCc1ccccc1 ZINC000012520338 519082712 /nfs/dbraw/zinc/08/27/12/519082712.db2.gz BQWQPOFZSNCEPD-UHFFFAOYSA-N 0 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CCOc1cc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)ccc1O ZINC000012895108 520619755 /nfs/dbraw/zinc/61/97/55/520619755.db2.gz QQQUKHRVTWGFOB-CSKARUKUSA-N 0 0 351.402 3.814 50 30 FHEARN CCOc1cc(/C=N/NC(=S)NCc2ccccc2)ccc1OC(C)C ZINC000000980701 520640329 /nfs/dbraw/zinc/64/03/29/520640329.db2.gz QTYQQBZHZYYVII-HYARGMPZSA-N 0 0 371.506 3.871 50 30 FHEARN CCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 ZINC000002370900 520717510 /nfs/dbraw/zinc/71/75/10/520717510.db2.gz MCYFJJSKMSILGQ-MRXNPFEDSA-N 0 0 366.465 3.817 50 30 FHEARN CCOC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O ZINC000006463481 520805279 /nfs/dbraw/zinc/80/52/79/520805279.db2.gz GLOOSZWQGWSNQJ-MFOYZWKCSA-N 0 0 358.777 3.898 50 30 FHEARN CCOc1ccc(NC(=Nc2cc(C)on2)n2sc(C)cc2=N)cc1 ZINC000020176246 520856068 /nfs/dbraw/zinc/85/60/68/520856068.db2.gz FDFIYPKTUPGZGO-UHFFFAOYSA-N 0 0 357.439 3.681 50 30 FHEARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1C)C2=O ZINC000005967435 521217251 /nfs/dbraw/zinc/21/72/51/521217251.db2.gz 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ZINC000008710185 523004741 /nfs/dbraw/zinc/00/47/41/523004741.db2.gz OSJRGHAKZWVSSI-HNNXBMFYSA-N 0 0 356.495 3.833 50 30 FHEARN COc1ccc(/C=C\C(=O)c2cccc(N3CCCC3=O)c2)cc1OC ZINC000096920217 523434126 /nfs/dbraw/zinc/43/41/26/523434126.db2.gz VVHULDWSTUPORG-NTMALXAHSA-N 0 0 351.402 3.727 50 30 FHEARN COc1ccccc1OCC#CCNC(=O)c1ccccc1C(F)(F)F ZINC000090610365 524655040 /nfs/dbraw/zinc/65/50/40/524655040.db2.gz NWOCHTGYPWLSJV-UHFFFAOYSA-N 0 0 363.335 3.526 50 30 FHEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=NNC(N)=S)CC[C@]34C)[C@@H]1CC[C@H]2O ZINC000253534079 525349821 /nfs/dbraw/zinc/34/98/21/525349821.db2.gz YSALUCJHTGLMGQ-DNXLOVSSSA-N 0 0 363.571 3.579 50 30 FHEARN COc1ccc2[nH]cc(CCNC(=S)NCCc3ccccc3)c2c1 ZINC000013520092 525491034 /nfs/dbraw/zinc/49/10/34/525491034.db2.gz ASWHNECUYSRBIM-UHFFFAOYSA-N 0 0 353.491 3.837 50 30 FHEARN C[C@@]12OC(=N)[C@@](C#N)([C@H]1c1ccccc1)C(C#N)(C#N)[C@H](c1ccccc1)O2 ZINC000245236385 525916280 /nfs/dbraw/zinc/91/62/80/525916280.db2.gz SECSTAJUVLINRG-GWOFKNCZSA-N 0 0 368.396 3.809 50 30 FHEARN CSc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000005155981 525949315 /nfs/dbraw/zinc/94/93/15/525949315.db2.gz UWHCNSHJYGFCSE-AWNIVKPZSA-N 0 0 361.488 3.555 50 30 FHEARN CSc1ccc(CN(C)C(=O)c2ccc(NC(=O)CC#N)cc2)cc1 ZINC000006602915 525988262 /nfs/dbraw/zinc/98/82/62/525988262.db2.gz AHYXKJZACBUENW-UHFFFAOYSA-N 0 0 353.447 3.533 50 30 FHEARN Cc1ccc(C(C)C)c(OCCOc2ccc(/C=N/NC(N)=S)cc2)c1 ZINC000004511054 526247781 /nfs/dbraw/zinc/24/77/81/526247781.db2.gz GTEHLXYXEYIBGD-LPYMAVHISA-N 0 0 371.506 3.743 50 30 FHEARN N#CCCN(Cc1ccco1)C(=O)c1cc(Cl)c2c(c1)OCCCO2 ZINC000058215136 526458332 /nfs/dbraw/zinc/45/83/32/526458332.db2.gz KOKSCUVYLDEBHT-UHFFFAOYSA-N 0 0 360.797 3.650 50 30 FHEARN N#CCCN1CCN(C(=S)c2ccc(-c3cccc(Cl)c3)o2)CC1 ZINC000019956085 526459506 /nfs/dbraw/zinc/45/95/06/526459506.db2.gz LPEFEKJCIUQBRO-UHFFFAOYSA-N 0 0 359.882 3.807 50 30 FHEARN N#CCCNC(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000006364616 526462472 /nfs/dbraw/zinc/46/24/72/526462472.db2.gz PPJCUFVBGBLNPH-UHFFFAOYSA-N 0 0 372.450 3.619 50 30 FHEARN N#Cc1cccc(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)c1 ZINC000217879354 526699082 /nfs/dbraw/zinc/69/90/82/526699082.db2.gz PGLOBFCLDAIGNT-UHFFFAOYSA-N 0 0 362.458 3.791 50 30 FHEARN N#Cc1ccccc1C(=O)N1CCC[C@@H](c2nccn2Cc2ccccc2)C1 ZINC000082125717 526735797 /nfs/dbraw/zinc/73/57/97/526735797.db2.gz IDWIJUIEXGYFMP-HXUWFJFHSA-N 0 0 370.456 3.823 50 30 FHEARN Cc1nc(C2CC2)nc(S[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)c1C#N ZINC000245237508 526772121 /nfs/dbraw/zinc/77/21/21/526772121.db2.gz LHYHHWZUYMUFST-KFNAQCHYSA-N 0 0 358.511 3.710 50 30 FHEARN N=C(NOC(=O)c1ccccc1Cl)c1cccc(Br)c1 ZINC000004832236 526811420 /nfs/dbraw/zinc/81/14/20/526811420.db2.gz JRJLIOXIROJHBS-UHFFFAOYSA-N 0 0 353.603 3.580 50 30 FHEARN NC(=S)C(N=Nc1cccc(Cl)c1Cl)C(=O)Nc1ccccc1 ZINC000254705622 527106670 /nfs/dbraw/zinc/10/66/70/527106670.db2.gz FAWSGNHDGIXBFF-UHFFFAOYSA-N 0 0 367.261 3.686 50 30 FHEARN O=S(=O)(N/N=C/c1ccccc1OCc1ccccc1)c1ccccc1 ZINC000003097459 527203146 /nfs/dbraw/zinc/20/31/46/527203146.db2.gz OWEUJQMNSMQJCP-RCCKNPSSSA-N 0 0 366.442 3.578 50 30 FHEARN O=[N+]([O-])c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000252429451 527347586 /nfs/dbraw/zinc/34/75/86/527347586.db2.gz QMWWNZPKPBLVOL-UHFFFAOYSA-N 0 0 359.798 3.678 50 30 FHEARN Cn1ncc(-c2ccccc2)c1NC(=O)Cn1ccc2cc(C#N)ccc21 ZINC000019789254 527562303 /nfs/dbraw/zinc/56/23/03/527562303.db2.gz VBSKYHDCIXDGQW-UHFFFAOYSA-N 0 0 355.401 3.552 50 30 FHEARN O=C(C=CC=Cc1ccccc1)C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21 ZINC000004301677 527596561 /nfs/dbraw/zinc/59/65/61/527596561.db2.gz FVXMSCCPIYINBQ-OVYLXHAYSA-N 0 0 353.805 3.709 50 30 FHEARN COc1ccc(N2CCN(c3oc(-c4ccc(C)cc4)nc3C#N)CC2)cc1 ZINC000027019383 536703711 /nfs/dbraw/zinc/70/37/11/536703711.db2.gz WTRPVVAPPUDICQ-UHFFFAOYSA-N 0 0 374.444 3.857 50 30 FHEARN COc1cc2c(cc1OC)[C@@H](C#N)N(C)[C@@H](Cc1c[nH]c3ccccc13)C2 ZINC000215972885 568098388 /nfs/dbraw/zinc/09/83/88/568098388.db2.gz LIFURDFPQZSGJI-OXQOHEQNSA-N 0 0 361.445 3.849 50 30 FHEARN N#Cc1c(NC(=O)c2cc3ccccc3oc2=O)sc2c1CCCC2 ZINC000000732066 568149967 /nfs/dbraw/zinc/14/99/67/568149967.db2.gz ZVDIYVQYMHKYBT-UHFFFAOYSA-N 0 0 350.399 3.857 50 30 FHEARN C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)Nc1sccc1C#N ZINC000024829618 568159337 /nfs/dbraw/zinc/15/93/37/568159337.db2.gz GWRINHUQZCLAMJ-VIFPVBQESA-N 0 0 374.422 3.928 50 30 FHEARN C=CCNC(=S)N=NCc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000012374203 568542696 /nfs/dbraw/zinc/54/26/96/568542696.db2.gz GBZWIMBVNXTEMJ-JCMHNJIXSA-N 0 0 369.490 3.712 50 30 FHEARN Cc1ccc(/N=C/c2cccc(O)c2O)cc1I ZINC000000647454 570443832 /nfs/dbraw/zinc/44/38/32/570443832.db2.gz IKWDAGDLWHNZGQ-LZYBPNLTSA-N 0 0 353.159 3.761 50 30 FHEARN CC(O)=C1C(=O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccccc1 ZINC000000678002 570447682 /nfs/dbraw/zinc/44/76/82/570447682.db2.gz VHCBIARSNIAYEU-MRXNPFEDSA-N 0 0 372.218 3.938 50 30 FHEARN N#Cc1c2c(sc1/N=C/c1cc3c(cc1[N+](=O)[O-])OCO3)CCCC2 ZINC000000711965 570452064 /nfs/dbraw/zinc/45/20/64/570452064.db2.gz LFORJRKNHYKNNT-UFWORHAWSA-N 0 0 355.375 3.886 50 30 FHEARN CCOC1(OCC)C(C#N)(C#N)[C@@](C)(c2ccccc2)C1(OCC)OCC ZINC000000721478 570452970 /nfs/dbraw/zinc/45/29/70/570452970.db2.gz XSAGORWGNWWZEW-GOSISDBHSA-N 0 0 372.465 3.530 50 30 FHEARN CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000000847273 570460154 /nfs/dbraw/zinc/46/01/54/570460154.db2.gz JATFYDMGZWHNST-FQEVSTJZSA-N 0 0 368.477 3.674 50 30 FHEARN COc1ccc(Cc2nc(NC(=O)Cn3ccc4ccccc43)n[nH]2)cc1 ZINC000095476231 570461296 /nfs/dbraw/zinc/46/12/96/570461296.db2.gz KPFNTSCOUQQWCC-UHFFFAOYSA-N 0 0 361.405 3.647 50 30 FHEARN Cc1cc(N2CCCC2)ccc1/C=N/NC(=S)NCc1ccccc1 ZINC000000980705 570467542 /nfs/dbraw/zinc/46/75/42/570467542.db2.gz GIWLFCCLEJGWDR-PXLXIMEGSA-N 0 0 352.507 3.593 50 30 FHEARN CC(=O)C(=NNc1cc2c(c([N+](=O)[O-])c1C)C(C)(C)CC2(C)C)C(C)=O ZINC000001048274 570477347 /nfs/dbraw/zinc/47/73/47/570477347.db2.gz CDONZWSZJBBLAF-UHFFFAOYSA-N 0 0 359.426 3.808 50 30 FHEARN CSC1=N/C(=C\c2ccc(OC(C)=O)c(Br)c2)C(=O)S1 ZINC000001168977 570486825 /nfs/dbraw/zinc/48/68/25/570486825.db2.gz JMAMZYLVMXLLTL-POHAHGRESA-N 0 0 372.265 3.708 50 30 FHEARN CC(O)=C1C(=O)C(=O)N(c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000001205513 570492358 /nfs/dbraw/zinc/49/23/58/570492358.db2.gz PLRCSDSMQBKJJP-LJQANCHMSA-N 0 0 350.418 3.550 50 30 FHEARN N#Cc1c(NC(=S)NC(=O)C=Cc2ccccc2)sc2c1CCC2 ZINC000014041127 570511438 /nfs/dbraw/zinc/51/14/38/570511438.db2.gz ZGQIXYJGMXLCBH-MDZDMXLPSA-N 0 0 353.472 3.635 50 30 FHEARN COc1ccc(-n2cc(-c3cc(-c4ccco4)c(C#N)c(N)n3)cn2)cc1 ZINC000071756805 570511649 /nfs/dbraw/zinc/51/16/49/570511649.db2.gz NQNBYIBZGDHEFG-UHFFFAOYSA-N 0 0 357.373 3.657 50 30 FHEARN CCn1nc(C)c(-c2cc(-c3cnc(C(C)C)nc3)c(C#N)c(N)n2)c1C ZINC000071753076 570511749 /nfs/dbraw/zinc/51/17/49/570511749.db2.gz ULNCAZJPWYDQDO-UHFFFAOYSA-N 0 0 361.453 3.616 50 30 FHEARN COc1cc(C#N)ccc1OCc1ccccc1I ZINC000004828463 570512547 /nfs/dbraw/zinc/51/25/47/570512547.db2.gz HJJNWBZEKURDJS-UHFFFAOYSA-N 0 0 365.170 3.750 50 30 FHEARN CCOc1ccc([C@@H]2CCCN2C(=O)COc2ccccc2C#N)cc1 ZINC000014159409 570517907 /nfs/dbraw/zinc/51/79/07/570517907.db2.gz ASZXKSBXVZKVAS-IBGZPJMESA-N 0 0 350.418 3.699 50 30 FHEARN C[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000014201216 570519053 /nfs/dbraw/zinc/51/90/53/570519053.db2.gz YBOYPLVWQQPJQU-OAHLLOKOSA-N 0 0 350.443 3.892 50 30 FHEARN Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(N)=S)cc1 ZINC000002543084 570524291 /nfs/dbraw/zinc/52/42/91/570524291.db2.gz USGYYJVBWVBGBU-WSDLNYQXSA-N 0 0 363.442 3.535 50 30 FHEARN S=C1N=NC(c2ccc(Br)cc2)N1N=Cc1ccccc1 ZINC000002573419 570525155 /nfs/dbraw/zinc/52/51/55/570525155.db2.gz LTDHEZDSGOLLHR-LICLKQGHSA-N 0 0 359.252 3.879 50 30 FHEARN CCOC(=O)C1=C(c2ccccc2)NC(=S)C(C#N)[C@H]1c1ccccc1 ZINC000003883681 570570389 /nfs/dbraw/zinc/57/03/89/570570389.db2.gz PZWSRGFTFGHOTK-DLBZAZTESA-N 0 0 362.454 3.815 50 30 FHEARN C=CCNc1nc(C(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCC3)cs1 ZINC000005040209 570578237 /nfs/dbraw/zinc/57/82/37/570578237.db2.gz VJQYIJHWFFPXCE-GFCCVEGCSA-N 0 0 356.447 3.658 50 30 FHEARN O=C1C[C@@H](N2CCN(c3ccccc3)CC2)C=C1Nc1ccc(Cl)cc1 ZINC000004347688 570586143 /nfs/dbraw/zinc/58/61/43/570586143.db2.gz KCLWVAYPAFNJFB-IBGZPJMESA-N 0 0 367.880 3.799 50 30 FHEARN COc1ccccc1N1CCN(/N=C\c2c(O)ccc3ccccc32)CC1 ZINC000004482743 570592048 /nfs/dbraw/zinc/59/20/48/570592048.db2.gz ROCGVCRBDSXIBN-KQWNVCNZSA-N 0 0 361.445 3.710 50 30 FHEARN CC(NC[C@H](C)NC(C)=C1C(=O)C[C@@H]2[C@H]1C2(C)C)=C1C(=O)C[C@@H]2[C@H]1C2(C)C ZINC000100749147 570596856 /nfs/dbraw/zinc/59/68/56/570596856.db2.gz JZBTZADGBMEUIM-GQGBVCTRSA-N 0 0 370.537 3.592 50 30 FHEARN C=CCc1cccc(C=NN2C(=S)N=NC2c2ccc(C)cc2)c1O ZINC000245241431 570610938 /nfs/dbraw/zinc/61/09/38/570610938.db2.gz DLSLPFJDNWPCJO-UHFFFAOYSA-N 0 0 350.447 3.859 50 30 FHEARN Cc1cc(C)nc(NC(=NC(=S)Nc2ccccc2)NC2CCCC2)n1 ZINC000005274186 570645424 /nfs/dbraw/zinc/64/54/24/570645424.db2.gz BKKXKFZWKXRSGQ-UHFFFAOYSA-N 0 0 368.510 3.791 50 30 FHEARN CC[C@@H](C(=O)C=C1NCCc2cc(OC)c(OC)cc21)c1ccccc1 ZINC000005429090 570654974 /nfs/dbraw/zinc/65/49/74/570654974.db2.gz QQFLSAGZQBEUBL-SQFNAUOLSA-N 0 0 351.446 3.953 50 30 biogenic FHEARN N#Cc1ccc(NC(=O)CSc2nnc3sc4ccccc4n23)cc1 ZINC000003229042 570657977 /nfs/dbraw/zinc/65/79/77/570657977.db2.gz AZGRAMLOMXDHKY-UHFFFAOYSA-N 0 0 365.443 3.546 50 30 FHEARN N#C/N=C(\N)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N ZINC000004719100 570668978 /nfs/dbraw/zinc/66/89/78/570668978.db2.gz VMHXKZGQWSNRRU-UHFFFAOYSA-N 0 0 367.381 3.812 50 30 FHEARN Cc1cccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccccc3)S2)c1 ZINC000002729393 570669291 /nfs/dbraw/zinc/66/92/91/570669291.db2.gz ZARBFCOGKYHUTE-BSBNDGSWSA-N 0 0 353.447 3.585 50 30 FHEARN C=C(C)CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CC[C@@H](C)C3 ZINC000005556929 570671750 /nfs/dbraw/zinc/67/17/50/570671750.db2.gz YNAJZMLCYSHVJK-SNVBAGLBSA-N 0 0 370.507 3.683 50 30 FHEARN COc1ccc(-c2nnc(SCc3cccc(C#N)c3)o2)c(OC)c1 ZINC000007939523 570675313 /nfs/dbraw/zinc/67/53/13/570675313.db2.gz CPYNVUJDCUEJNZ-UHFFFAOYSA-N 0 0 353.403 3.918 50 30 FHEARN C#CCO[S@@](=O)O[C@@H]1CCCC[C@H]1Oc1ccc(C(C)(C)C)cc1 ZINC000009302309 570693613 /nfs/dbraw/zinc/69/36/13/570693613.db2.gz ZYHMJXZULPZUED-GGUMNFRJSA-N 0 0 350.480 3.919 50 30 in-vitro FHEARN N#Cc1ccc(CN2CCN(CCOc3ccc(Cl)cc3)CC2)c(F)c1 ZINC000022848739 570694567 /nfs/dbraw/zinc/69/45/67/570694567.db2.gz KCLFVZFKLPZNFG-UHFFFAOYSA-N 0 0 373.859 3.547 50 30 FHEARN Cc1[nH]nc2c1[C@@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000017945186 570767759 /nfs/dbraw/zinc/76/77/59/570767759.db2.gz QDFUONQEBFMDOP-GOSISDBHSA-N 0 0 350.466 3.985 50 30 FHEARN CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)cc1)C1=C(CCCC1=O)N2 ZINC000013139669 570774659 /nfs/dbraw/zinc/77/46/59/570774659.db2.gz RCXLVYBBCZDNSA-HNNXBMFYSA-N 0 0 367.474 3.755 50 30 FHEARN O=S(=O)(N=C(NCc1ccccc1)c1ccccc1F)c1ccccc1 ZINC000013153356 570774757 /nfs/dbraw/zinc/77/47/57/570774757.db2.gz ISNVDHJPZNBGBO-UHFFFAOYSA-N 0 0 368.433 3.751 50 30 FHEARN Cc1cccc(/N=C2/NC(=O)[C@@H](Cc3cccc(C(F)(F)F)c3)S2)n1 ZINC000013479801 570778189 /nfs/dbraw/zinc/77/81/89/570778189.db2.gz IGJBAVRAVZQXCW-CYBMUJFWSA-N 0 0 365.380 3.871 50 30 FHEARN COc1cc(OC)c([C@H]2c3c(C)noc3NC3=C2C(=O)CCC3)cc1OC ZINC000013691246 570784859 /nfs/dbraw/zinc/78/48/59/570784859.db2.gz ZPAXSTJJMCGASX-SFHVURJKSA-N 0 0 370.405 3.573 50 30 FHEARN O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)c1cc3c(cc1N2)OCO3 ZINC000018196721 570814791 /nfs/dbraw/zinc/81/47/91/570814791.db2.gz IBGKJJIBRYRAPT-LJQANCHMSA-N 0 0 364.357 3.888 50 30 FHEARN CC1(C)CC(=O)C2C(=Nc3nnnn3[C@H]2c2ccc(Cl)cc2Cl)C1 ZINC000018196078 570814801 /nfs/dbraw/zinc/81/48/01/570814801.db2.gz JWKGTDXLANOKHN-AWEZNQCLSA-N 0 0 364.236 3.638 50 30 FHEARN CC(C)/C=N/N=C1/NC(=O)[C@H](Cc2ccc(SC(F)F)cc2)S1 ZINC000018209124 570815153 /nfs/dbraw/zinc/81/51/53/570815153.db2.gz WWPQKMOSPVDZSZ-MEBUONCMSA-N 0 0 357.451 3.773 50 30 FHEARN COc1ccc(/C(C)=N\N=C2/NC(=O)[C@@H](Cc3ccc(C)cc3)S2)cc1 ZINC000015659934 570842593 /nfs/dbraw/zinc/84/25/93/570842593.db2.gz KSRPXQBWLYPLBL-QWQBBLJPSA-N 0 0 367.474 3.558 50 30 FHEARN CC(C)(C)OC(=O)NC1(CNC(=O)c2cccc(C#N)c2)CCCCCC1 ZINC000024493893 570847849 /nfs/dbraw/zinc/84/78/49/570847849.db2.gz BGLNDAFUSMDHJD-UHFFFAOYSA-N 0 0 371.481 3.906 50 30 FHEARN C[C@@H](Sc1cccc[n+]1[O-])C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000209595433 570868924 /nfs/dbraw/zinc/86/89/24/570868924.db2.gz NPQSBBNLLMYRAH-VVTMIQRTSA-N 0 0 354.475 3.681 50 30 FHEARN N#Cc1c(COC(=O)c2cccnc2SC(F)F)cn2ccccc12 ZINC000014853873 570870401 /nfs/dbraw/zinc/87/04/01/570870401.db2.gz HQAVYWJULYRCOB-UHFFFAOYSA-N 0 0 359.357 3.878 50 30 FHEARN CC[C@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccccc2)C1=O ZINC000004899130 570877622 /nfs/dbraw/zinc/87/76/22/570877622.db2.gz WWBJYSXXPCKNMT-RXSWUABFSA-N 0 0 367.474 3.939 50 30 FHEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)N1 ZINC000019315181 570885701 /nfs/dbraw/zinc/88/57/01/570885701.db2.gz APURBVYJKSWMFZ-SFHVURJKSA-N 0 0 370.405 3.514 50 30 FHEARN C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(OC)cc1 ZINC000012111604 570889868 /nfs/dbraw/zinc/88/98/68/570889868.db2.gz AMAANBREAKKFGE-LJQANCHMSA-N 0 0 361.397 3.841 50 30 FHEARN Cc1nc(NC(=O)CCC(=O)c2cccs2)sc1SCC#N ZINC000044789113 570899319 /nfs/dbraw/zinc/89/93/19/570899319.db2.gz LTEXJVJWVUOESG-UHFFFAOYSA-N 0 0 351.478 3.730 50 30 FHEARN COC(=O)C1=C(C)NC(=Cc2cc(C)n(-c3c(C)cccc3C)c2C)C1=O ZINC000019859116 570905020 /nfs/dbraw/zinc/90/50/20/570905020.db2.gz PVCPJPLEICXXSD-WQRHYEAKSA-N 0 0 364.445 3.671 50 30 FHEARN C=CCn1c2ccc(NC(=O)Nc3cccc(C(C)=O)c3)cc2oc1=O ZINC000046010580 570918790 /nfs/dbraw/zinc/91/87/90/570918790.db2.gz BEIUQLYIZHQBAV-UHFFFAOYSA-N 0 0 351.362 3.627 50 30 FHEARN C=CCn1c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2sc1=O ZINC000046017777 570919770 /nfs/dbraw/zinc/91/97/70/570919770.db2.gz WTVKOIYKNPGRAP-UHFFFAOYSA-N 0 0 374.487 3.667 50 30 FHEARN COc1ccc(NC(=NC(=O)c2cccc(C)c2)NCc2cccnc2)cc1 ZINC000046127830 570927120 /nfs/dbraw/zinc/92/71/20/570927120.db2.gz HNCMOKZAZBSREW-UHFFFAOYSA-N 0 0 374.444 3.797 50 30 FHEARN CCc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccccc2)cc1 ZINC000046128905 570927652 /nfs/dbraw/zinc/92/76/52/570927652.db2.gz GLUWDSCJGTVFCD-LJQANCHMSA-N 0 0 351.450 3.626 50 30 FHEARN Cc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(C)c2)cc1 ZINC000046130517 570927989 /nfs/dbraw/zinc/92/79/89/570927989.db2.gz YVQZJBKKPZIOEP-LJQANCHMSA-N 0 0 351.450 3.680 50 30 FHEARN Cc1ccc(NC(=NC(=O)c2ccc(F)cc2)NC[C@@H]2CCCO2)cc1C ZINC000046129674 570928068 /nfs/dbraw/zinc/92/80/68/570928068.db2.gz QJBCZOVPZBMSTG-IBGZPJMESA-N 0 0 369.440 3.819 50 30 FHEARN CCc1cccc(NC(=NC(=O)c2cccc(C)c2)NC[C@@H]2CCCO2)c1 ZINC000046130761 570928588 /nfs/dbraw/zinc/92/85/88/570928588.db2.gz SPGOHHJNLDYLES-FQEVSTJZSA-N 0 0 365.477 3.934 50 30 FHEARN N#Cc1cccc(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)c1 ZINC000051364486 570945177 /nfs/dbraw/zinc/94/51/77/570945177.db2.gz XVEKMEAMNJNOQQ-GOSISDBHSA-N 0 0 355.397 3.717 50 30 FHEARN C[C@@H]1CC(=O)C2C(=Nc3nc(C(F)(F)F)nn3[C@H]2c2ccc(F)cc2)C1 ZINC000022608139 570947358 /nfs/dbraw/zinc/94/73/58/570947358.db2.gz MCBZHYOYHUADHG-RTHLEPHNSA-N 0 0 366.318 3.704 50 30 FHEARN CCOc1cc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)ccc1O ZINC000048417729 570954245 /nfs/dbraw/zinc/95/42/45/570954245.db2.gz PXGYNUIDGORSHZ-OQFOIZHKSA-N 0 0 353.418 3.524 50 30 FHEARN N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000023731421 570967513 /nfs/dbraw/zinc/96/75/13/570967513.db2.gz WPUDJIKOMNQLNP-GOSISDBHSA-N 0 0 373.378 3.728 50 30 FHEARN N#Cc1c(COc2ccc(Br)cc2C=O)cn2ccccc12 ZINC000014902012 570967589 /nfs/dbraw/zinc/96/75/89/570967589.db2.gz YUBZNXYEEPSUAV-UHFFFAOYSA-N 0 0 355.191 3.965 50 30 FHEARN C#CCOC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1 ZINC000003041716 571003667 /nfs/dbraw/zinc/00/36/67/571003667.db2.gz ZODXMFGEIKCIHC-UHFFFAOYSA-N 0 0 370.619 3.647 50 30 FHEARN C=CCN(Cc1nc(-c2ccccc2)no1)Cc1ccc(NC(C)=O)cc1 ZINC000055182921 571058113 /nfs/dbraw/zinc/05/81/13/571058113.db2.gz UBPVYKXIBZKGSN-UHFFFAOYSA-N 0 0 362.433 3.883 50 30 FHEARN C=CCNc1ccccc1C(=O)N1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000055359100 571058592 /nfs/dbraw/zinc/05/85/92/571058592.db2.gz VQEKTMYAKXAIOW-QFIPXVFZSA-N 0 0 364.489 3.740 50 30 FHEARN C=CCOc1ccc(C(=O)N[C@@H](C)c2cn3ccsc3n2)cc1OCC ZINC000055308791 571058666 /nfs/dbraw/zinc/05/86/66/571058666.db2.gz NDMHZWYASCKPBC-ZDUSSCGKSA-N 0 0 371.462 3.850 50 30 FHEARN C=CCN(Cc1ccc(F)cc1)C(=O)[C@H](CC)N1Cc2ccccc2C1=O ZINC000055325149 571058754 /nfs/dbraw/zinc/05/87/54/571058754.db2.gz WJZIRTFEXJFHAL-FQEVSTJZSA-N 0 0 366.436 3.775 50 30 FHEARN CN(C)N1C(=O)C[C@H](c2ccsc2)C2=C1C[C@@H](c1ccccc1)CC2=O ZINC000001430122 571075298 /nfs/dbraw/zinc/07/52/98/571075298.db2.gz OPOMNMKPKBTHEG-IAGOWNOFSA-N 0 0 366.486 3.941 50 30 FHEARN N#C[C@H](C(=O)[C@@H]1C[C@@H]1c1ccco1)c1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000084432090 571085833 /nfs/dbraw/zinc/08/58/33/571085833.db2.gz KTXAHWMHSMZXBW-YNEHKIRRSA-N 0 0 353.765 3.562 50 30 FHEARN CCN(CCC#N)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c21 ZINC000084774717 571099560 /nfs/dbraw/zinc/09/95/60/571099560.db2.gz RMLDVBSRELZTOI-UHFFFAOYSA-N 0 0 352.394 3.784 50 30 FHEARN C=CCc1cccc2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c(=O)oc21 ZINC000004263111 571102214 /nfs/dbraw/zinc/10/22/14/571102214.db2.gz KICWUFCOQSEIFG-UHFFFAOYSA-N 0 0 350.330 3.682 50 30 FHEARN C=CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000004185170 571102246 /nfs/dbraw/zinc/10/22/46/571102246.db2.gz ONZUXVSQVIRFNF-ZDUSSCGKSA-N 0 0 357.262 3.515 50 30 FHEARN COc1ccccc1/C=C/C=C1\Oc2c(ccc([O-])c2C[NH+](C)C)C1=O ZINC000013655790 571109728 /nfs/dbraw/zinc/10/97/28/571109728.db2.gz RPRLTBCTIQEUEM-YZFGBBDKSA-N 0 0 351.402 3.635 50 30 FHEARN C#CCOc1ccccc1[C@@H]1Nc2c(sc3nc(C)cc(C)c32)C(=O)N1 ZINC000009469675 571110457 /nfs/dbraw/zinc/11/04/57/571110457.db2.gz CHANUZOPFCKMOR-GOSISDBHSA-N 0 0 363.442 3.779 50 30 FHEARN CCOC(=O)c1sc(NC(=O)[C@@H](C)Oc2cccc(C)c2)c(C#N)c1C ZINC000012807447 571111530 /nfs/dbraw/zinc/11/15/30/571111530.db2.gz MDSISSCWPSLZJU-CYBMUJFWSA-N 0 0 372.446 3.819 50 30 FHEARN COc1ccccc1NC(=O)COc1nc(C(C)C)c2c(c1C#N)CCC2 ZINC000013729778 571111764 /nfs/dbraw/zinc/11/17/64/571111764.db2.gz VNVCTPWJLMYVGP-UHFFFAOYSA-N 0 0 365.433 3.591 50 30 FHEARN Cc1cnnn1-c1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000013731970 571111777 /nfs/dbraw/zinc/11/17/77/571111777.db2.gz ZRIPVMKSWFVBPX-UHFFFAOYSA-N 0 0 363.446 3.640 50 30 FHEARN C[C@H](OC(=O)/C=C/c1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000006065082 571116395 /nfs/dbraw/zinc/11/63/95/571116395.db2.gz DRTPYRAANKIQPY-RSPDNQDQSA-N 0 0 354.793 3.795 50 30 FHEARN C=CCn1c(SCc2nc(C(C)(C)C)no2)nc2sccc2c1=O ZINC000012972083 571118945 /nfs/dbraw/zinc/11/89/45/571118945.db2.gz VKSRJYZYJZYFFY-UHFFFAOYSA-N 0 0 362.480 3.617 50 30 FHEARN O=C1C(=NNc2ccccc2[N+](=O)[O-])c2ccccc2N1Cc1ccccc1 ZINC000015774688 571119374 /nfs/dbraw/zinc/11/93/74/571119374.db2.gz ZKNPPHMCWNLQRZ-BSYVCWPDSA-N 0 0 372.384 3.958 50 30 FHEARN C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)CC ZINC000013720134 571120362 /nfs/dbraw/zinc/12/03/62/571120362.db2.gz HKQJQCPBWQSIJG-UHFFFAOYSA-N 0 0 360.479 3.781 50 30 FHEARN O=C(NCC#CCOc1cccc(C(F)(F)F)c1)c1ccccc1F ZINC000085558685 571120393 /nfs/dbraw/zinc/12/03/93/571120393.db2.gz CQPNUGUTGRVSNL-UHFFFAOYSA-N 0 0 351.299 3.657 50 30 FHEARN COc1ccc(-c2nc(CC(=O)NCC#Cc3ccccc3)cs2)cc1 ZINC000014227469 571121229 /nfs/dbraw/zinc/12/12/29/571121229.db2.gz WRBYKXJNXSECED-UHFFFAOYSA-N 0 0 362.454 3.529 50 30 FHEARN C=CCNC(=O)c1sc2ncnc(NCc3ccccc3OC)c2c1C ZINC000014991315 571121518 /nfs/dbraw/zinc/12/15/18/571121518.db2.gz YQPMZZBYBJGQSQ-UHFFFAOYSA-N 0 0 368.462 3.536 50 30 FHEARN C#CCN1C(=O)S/C(=C\c2cc(Cl)c(OCC=C)c(OC)c2)C1=O ZINC000015011132 571121521 /nfs/dbraw/zinc/12/15/21/571121521.db2.gz FEZHHJAYXHVRRT-UVTDQMKNSA-N 0 0 363.822 3.583 50 30 FHEARN C=CCn1c(SCC(C)=O)nc2scc(-c3ccccc3)c2c1=O ZINC000000710210 571122921 /nfs/dbraw/zinc/12/29/21/571122921.db2.gz DZHPEYQKPNBDDK-UHFFFAOYSA-N 0 0 356.472 3.992 50 30 FHEARN C=CCc1cccc2cc(C(=O)Nc3ccc(OC)c(OC)c3)c(=O)oc21 ZINC000001171867 571123793 /nfs/dbraw/zinc/12/37/93/571123793.db2.gz GQTTWRGQJDGTAS-UHFFFAOYSA-N 0 0 365.385 3.791 50 30 FHEARN C=CCN1C(=O)/C(=C/c2ccc(F)c(Br)c2)SC1=S ZINC000002119655 571124658 /nfs/dbraw/zinc/12/46/58/571124658.db2.gz VGAXZUNCOYZVIE-XFFZJAGNSA-N 0 0 358.257 3.975 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1nc(C)cs1 ZINC000025695168 571132700 /nfs/dbraw/zinc/13/27/00/571132700.db2.gz KNARYBUGTLPSNR-MRXNPFEDSA-N 0 0 360.479 3.619 50 30 FHEARN C=CCn1c2ccc(NC(=O)c3ccc(OC)c(OC)c3)cc2sc1=O ZINC000015865084 571139594 /nfs/dbraw/zinc/13/95/94/571139594.db2.gz RNBYVIDMBKPQBQ-UHFFFAOYSA-N 0 0 370.430 3.519 50 30 FHEARN CN(CC(=O)Nc1ccccc1C#N)Cc1ccccc1N1CCCCC1 ZINC000015103718 571139719 /nfs/dbraw/zinc/13/97/19/571139719.db2.gz PPNAMGWNGDUVLZ-UHFFFAOYSA-N 0 0 362.477 3.619 50 30 FHEARN C=CCn1c2ccccc2n(C[C@@H](O)c2ccc(Br)cc2)c1=N ZINC000019771426 571141020 /nfs/dbraw/zinc/14/10/20/571141020.db2.gz DCSHSQDXWATQAH-QGZVFWFLSA-N 0 0 372.266 3.604 50 30 FHEARN C[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccccc3)sc2C1 ZINC000000985766 571141465 /nfs/dbraw/zinc/14/14/65/571141465.db2.gz AGBUVBDNPMTXRT-NSHDSACASA-N 0 0 355.488 3.871 50 30 FHEARN N#Cc1ccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1 ZINC000012895384 571142668 /nfs/dbraw/zinc/14/26/68/571142668.db2.gz CIVPXGNFDJDIPM-DHDCSXOGSA-N 0 0 353.175 3.665 50 30 FHEARN CC(C)n1nc(C(=O)Nc2ccc([C@@H](C)O)cc2)c2ccccc2c1=O ZINC000012902258 571143011 /nfs/dbraw/zinc/14/30/11/571143011.db2.gz AOHQYPKHNHIZKJ-CYBMUJFWSA-N 0 0 351.406 3.667 50 30 FHEARN CC(C)OC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000012922085 571145335 /nfs/dbraw/zinc/14/53/35/571145335.db2.gz NFLUXGBUBGVOJF-CQSZACIVSA-N 0 0 352.390 3.529 50 30 FHEARN C#C[C@@](C)(CC)NC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000001074422 571145640 /nfs/dbraw/zinc/14/56/40/571145640.db2.gz OUDLPQBJJLBHOG-FQEVSTJZSA-N 0 0 368.387 3.866 50 30 FHEARN CCOC(=O)c1ccc(NC(=O)Cn2c(C)c(C#N)c3ccccc32)cc1 ZINC000001092701 571146094 /nfs/dbraw/zinc/14/60/94/571146094.db2.gz DYZGACAHZJGDKS-UHFFFAOYSA-N 0 0 361.401 3.637 50 30 FHEARN C=CCn1cnnc1S[C@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000023295504 571146864 /nfs/dbraw/zinc/14/68/64/571146864.db2.gz BTBLGZYXLRRRRS-SECBINFHSA-N 0 0 357.266 3.890 50 30 FHEARN O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cncn1-c1ccccc1 ZINC000024507084 571147904 /nfs/dbraw/zinc/14/79/04/571147904.db2.gz SNAYVPWMGRNDCE-UHFFFAOYSA-N 0 0 369.346 3.673 50 30 FHEARN CCC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccccc1OC ZINC000015133692 571148437 /nfs/dbraw/zinc/14/84/37/571148437.db2.gz ZRZNYXYPXSJZAR-UHFFFAOYSA-N 0 0 359.342 3.759 50 30 FHEARN Cn1cc([C@@H]2C[C@H]2C(=O)Nc2sc3c(c2C#N)CCCCCC3)cn1 ZINC000063938522 571167942 /nfs/dbraw/zinc/16/79/42/571167942.db2.gz XTOLEDCEVGBJFX-LSDHHAIUSA-N 0 0 354.479 3.754 50 30 FHEARN C[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000005981205 571169996 /nfs/dbraw/zinc/16/99/96/571169996.db2.gz KGJSSJIVUJHXHQ-NSHDSACASA-N 0 0 362.307 3.761 50 30 FHEARN C=CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OCCC(C)C)cc1 ZINC000006308043 571172123 /nfs/dbraw/zinc/17/21/23/571172123.db2.gz FYTAGSDYCGSRMV-GOSISDBHSA-N 0 0 374.506 3.634 50 30 FHEARN O=C(Oc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1)c1ccco1 ZINC000003898344 571188851 /nfs/dbraw/zinc/18/88/51/571188851.db2.gz NYUZHMQVYLUUKJ-XDHOZWIPSA-N 0 0 351.318 3.853 50 30 FHEARN COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CCC3)cc(OC)c1O ZINC000003904870 571189084 /nfs/dbraw/zinc/18/90/84/571189084.db2.gz HQNCECFVELIWLJ-FQEVSTJZSA-N 0 0 366.417 3.995 50 30 FHEARN Cc1nc(-c2ccc(CNC(=O)[C@H](C)Oc3ccc(C#N)cc3)o2)cs1 ZINC000012619012 571191602 /nfs/dbraw/zinc/19/16/02/571191602.db2.gz FRLNWIRMIXTRJJ-LBPRGKRZSA-N 0 0 367.430 3.667 50 30 FHEARN Cc1cccc2c1c(-c1ccc(C(=O)N3CCC[C@H](C#N)C3)cc1)nn2C ZINC000534578500 571204770 /nfs/dbraw/zinc/20/47/70/571204770.db2.gz KZUGUFUNXWJOMI-MRXNPFEDSA-N 0 0 358.445 3.925 50 30 FHEARN C=CCn1c(S[C@@H]2CCCC[C@@H]2O)nc2sc(C)c(C)c2c1=O ZINC000089565201 571212340 /nfs/dbraw/zinc/21/23/40/571212340.db2.gz HNUDOOHXSFTJHO-QWHCGFSZSA-N 0 0 350.509 3.656 50 30 FHEARN CCCCCCCCCCS(=O)(=O)N/N=C/c1cc(OC)ccc1O ZINC000098002606 571217546 /nfs/dbraw/zinc/21/75/46/571217546.db2.gz ZXNWHOJJOXGNTG-XDJHFCHBSA-N 0 0 370.515 3.795 50 30 FHEARN C=CCN1C[C@@H](C)N(C(=O)c2ccc(-c3ccc(F)cc3O)cc2)C[C@H]1C ZINC000426443491 571225913 /nfs/dbraw/zinc/22/59/13/571225913.db2.gz XACZOFIPBLMMSQ-HZPDHXFCSA-N 0 0 368.452 3.919 50 30 FHEARN CCOC(=O)C1=C(C)NC(=Cc2cc(C)n(-c3ccc(C)cc3)c2C)C1=O ZINC000033332637 571235814 /nfs/dbraw/zinc/23/58/14/571235814.db2.gz NUWYGXQMGRSSGI-XDHOZWIPSA-N 0 0 364.445 3.753 50 30 FHEARN COc1ccc(/C=C2\Oc3cc(OC(C)=O)cc(C)c3C2=O)cc1OC ZINC000006624009 571237458 /nfs/dbraw/zinc/23/74/58/571237458.db2.gz AEWZAERYUSPBIU-NVMNQCDNSA-N 0 0 354.358 3.554 50 30 biogenic FHEARN C=CCOC[C@@H](O)CN(Cc1ccc(F)cc1)Cc1ccc(F)cc1F ZINC000036104228 571242181 /nfs/dbraw/zinc/24/21/81/571242181.db2.gz JYXGEQSAPYXAGG-IBGZPJMESA-N 0 0 365.395 3.670 50 30 FHEARN CC(C)CSc1nnc(SCC(=O)Nc2ccc(C#N)cc2)s1 ZINC000007232134 571263236 /nfs/dbraw/zinc/26/32/36/571263236.db2.gz HWBYFJKKZTXDBR-UHFFFAOYSA-N 0 0 364.521 3.889 50 30 FHEARN Cc1ccc(NC(=O)C2(C#N)CCCC2)cc1I ZINC000007334388 571264464 /nfs/dbraw/zinc/26/44/64/571264464.db2.gz XXEYFUNPYQORJF-UHFFFAOYSA-N 0 0 354.191 3.622 50 30 FHEARN N#Cc1cc(N2CCC[C@H]2c2cccc3c2OCCO3)ncc1OC1CC1 ZINC000170610846 571267493 /nfs/dbraw/zinc/26/74/93/571267493.db2.gz NULFAGLDLXGPMY-KRWDZBQOSA-N 0 0 363.417 3.607 50 30 FHEARN CC(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@H]1c1ccc(Cl)cc1 ZINC000007553989 571268990 /nfs/dbraw/zinc/26/89/90/571268990.db2.gz ZWTORHRKAVAARI-INIZCTEOSA-N 0 0 360.841 3.998 50 30 FHEARN CCOc1cc(/C=C2\S/C(=N/c3ccccc3F)NC2=O)ccc1O ZINC000013424143 571271039 /nfs/dbraw/zinc/27/10/39/571271039.db2.gz SSKFKPDWOYUVAW-YBEGLDIGSA-N 0 0 358.394 3.822 50 30 FHEARN N#Cc1ccc(C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000014158544 571271634 /nfs/dbraw/zinc/27/16/34/571271634.db2.gz NNTBOLDAYCLYCL-UHFFFAOYSA-N 0 0 373.378 3.535 50 30 FHEARN N#Cc1c(CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cn2ccccc12 ZINC000089878879 571273860 /nfs/dbraw/zinc/27/38/60/571273860.db2.gz SXXOWZRGIYSXRO-UHFFFAOYSA-N 0 0 370.195 3.914 50 30 FHEARN COc1ccc2ncc(C#N)c(Nc3cc(OC)c(OC)c(OC)c3)c2c1 ZINC000016960171 571274249 /nfs/dbraw/zinc/27/42/49/571274249.db2.gz LXMMJTVZPCWSDJ-UHFFFAOYSA-N 0 0 365.389 3.884 50 30 FHEARN Cc1ccc(S(=O)(=O)N/N=C/c2cc3cc(C)ccc3nc2Cl)cc1 ZINC000002193867 571283330 /nfs/dbraw/zinc/28/33/30/571283330.db2.gz IRXJQKLCDWODJJ-RGVLZGJSSA-N 0 0 373.865 3.817 50 30 FHEARN CCC(=O)ON=C1c2cccn2C[C@H]1CN(C(=O)CC)c1ccc(C)cc1 ZINC000252597285 571284529 /nfs/dbraw/zinc/28/45/29/571284529.db2.gz CRDYEJZOLVFMDT-INIZCTEOSA-N 0 0 367.449 3.527 50 30 FHEARN Cc1nc2sc3c(c2c(N=NCc2ccc(O)cc2O)n1)CCCC3 ZINC000252616861 571286201 /nfs/dbraw/zinc/28/62/01/571286201.db2.gz KHGMYDRXALKMJH-UHFFFAOYSA-N 0 0 354.435 3.736 50 30 FHEARN CCCCCCCOC(=O)[C@H](C#N)[C@H](c1c(C)[nH][nH]c1=O)c1ccccc1 ZINC000195533625 571289644 /nfs/dbraw/zinc/28/96/44/571289644.db2.gz YQUYDXZBSKSRRB-GUDVDZBRSA-N 0 0 369.465 3.545 50 30 FHEARN CCOc1ccc2[nH]c(SCC(=O)Nc3ccc(C#N)cc3)nc2c1 ZINC000002224784 571289955 /nfs/dbraw/zinc/28/99/55/571289955.db2.gz FKRVUKDROAPVBB-UHFFFAOYSA-N 0 0 352.419 3.564 50 30 FHEARN C=CCNC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000007872831 571290491 /nfs/dbraw/zinc/29/04/91/571290491.db2.gz SSXLGZBOPGGONP-GFCCVEGCSA-N 0 0 367.478 3.544 50 30 FHEARN CCOC(=O)CC(=O)CSc1nc(C)cc(-c2ccsc2)c1C#N ZINC000002272857 571294644 /nfs/dbraw/zinc/29/46/44/571294644.db2.gz MSOFNXTXZYXSEZ-UHFFFAOYSA-N 0 0 360.460 3.605 50 30 FHEARN CCNC(=S)N/N=C/c1cn(-c2ccccc2)nc1-c1cccc(C)c1 ZINC000048573195 571311330 /nfs/dbraw/zinc/31/13/30/571311330.db2.gz PMSWEPXPUZSMGS-LPYMAVHISA-N 0 0 363.490 3.666 50 30 FHEARN CC(=O)O[C@H]1C[C@@](C)(OC(C)=O)[C@H](CC=O)[C@@]2(C)CCCC(C)(C)[C@@H]12 ZINC000036423486 571311360 /nfs/dbraw/zinc/31/13/60/571311360.db2.gz DSIOPRIXKMWSGV-AZNNDXHDSA-N 0 0 352.471 3.681 50 30 FHEARN CC[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2ccc(OC)cc2)C1=O ZINC000002358429 571319297 /nfs/dbraw/zinc/31/92/97/571319297.db2.gz XSJKQGKTYSCLDB-UAQCVPFCSA-N 0 0 367.474 3.939 50 30 FHEARN COc1ccc(CCNc2oc(-c3cccs3)nc2C#N)cc1OC ZINC000027662947 571319892 /nfs/dbraw/zinc/31/98/92/571319892.db2.gz BAFHEAQGTJIQKW-UHFFFAOYSA-N 0 0 355.419 3.947 50 30 FHEARN N#Cc1cccc(C2(NC(=O)CC3CCC(F)(F)CC3)CCOCC2)c1 ZINC000585123934 571320657 /nfs/dbraw/zinc/32/06/57/571320657.db2.gz QMXHDPHGCMKJFZ-UHFFFAOYSA-N 0 0 362.420 3.896 50 30 FHEARN N#Cc1ccccc1NC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 ZINC000008705755 571320806 /nfs/dbraw/zinc/32/08/06/571320806.db2.gz IMPUHLKWZSDSJA-UHFFFAOYSA-N 0 0 356.813 3.692 50 30 FHEARN N#Cc1cccnc1N1CCN(Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000065527681 571321182 /nfs/dbraw/zinc/32/11/82/571321182.db2.gz YHERZCOSAKBSBO-UHFFFAOYSA-N 0 0 362.477 3.597 50 30 FHEARN Cc1ccc([C@@H](CNc2oc(C(C)(C)C)nc2C#N)N2CCOCC2)cc1 ZINC000027793562 571321353 /nfs/dbraw/zinc/32/13/53/571321353.db2.gz HTLIACAXGNCSQG-GOSISDBHSA-N 0 0 368.481 3.638 50 30 FHEARN C=CCN(Cc1ccccc1)C(=O)c1sc(-c2ncccn2)nc1C ZINC000055277570 571321757 /nfs/dbraw/zinc/32/17/57/571321757.db2.gz KUELSHZRMQDWNJ-UHFFFAOYSA-N 0 0 350.447 3.737 50 30 FHEARN COc1cc(-c2c(C)c(-c3ccccc3)nc(N)c2C#N)cc(OC)c1O ZINC000067676261 571321839 /nfs/dbraw/zinc/32/18/39/571321839.db2.gz NMRDOAXHPMIOKD-UHFFFAOYSA-N 0 0 361.401 3.901 50 30 FHEARN COc1ccc(F)c([C@@H]2c3[nH]cnc3CCN2Cc2ccccc2C#N)c1 ZINC000067713120 571321858 /nfs/dbraw/zinc/32/18/58/571321858.db2.gz RRDJKUWJJGDLSD-OAQYLSRUSA-N 0 0 362.408 3.577 50 30 FHEARN CCC[C@@]1(CO)CCCN(C(=O)c2ccc(-c3cccc(C#N)n3)cc2)C1 ZINC000426640604 571322156 /nfs/dbraw/zinc/32/21/56/571322156.db2.gz ZFEYLRRMIHTRGH-JOCHJYFZSA-N 0 0 363.461 3.635 50 30 FHEARN CC(C)c1ccc(C#N)c(N2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)n1 ZINC000426727548 571322241 /nfs/dbraw/zinc/32/22/41/571322241.db2.gz VHHYXDLTKKWUQV-LJQANCHMSA-N 0 0 374.488 3.719 50 30 FHEARN CCc1nc(C)c(C#N)c(S[C@@H](C)C(=O)Nc2ccc(C)c(F)c2)n1 ZINC000012797045 571322700 /nfs/dbraw/zinc/32/27/00/571322700.db2.gz INLUWLFHKGZOAN-LBPRGKRZSA-N 0 0 358.442 3.786 50 30 FHEARN COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccccc2C#N)c(OC)c1 ZINC000012807443 571322711 /nfs/dbraw/zinc/32/27/11/571322711.db2.gz OCNGQZJHYGJTME-RGFVMQALSA-N 0 0 362.429 3.952 50 30 FHEARN COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)C(C)C)ccc3C2=O)c1 ZINC000012858196 571322785 /nfs/dbraw/zinc/32/27/85/571322785.db2.gz GTDODOAFGLWHIX-GRSHGNNSSA-N 0 0 368.385 3.881 50 30 FHEARN CCOc1ccc([C@H]2CCCN2C(=O)COc2ccc(C#N)cc2)cc1 ZINC000013002154 571323005 /nfs/dbraw/zinc/32/30/05/571323005.db2.gz CNUQPVZDZLJJGF-HXUWFJFHSA-N 0 0 350.418 3.699 50 30 FHEARN Cc1nn(C)c2ncc(C(=O)Nc3cc(Cl)c(Cl)cc3O)cc12 ZINC000328591430 571323541 /nfs/dbraw/zinc/32/35/41/571323541.db2.gz PXHKAYCYASONGT-UHFFFAOYSA-N 0 0 351.193 3.925 50 30 FHEARN COc1cccc(-c2cc3nc(-c4cccc(OC)c4)c(C#N)c(N)n3n2)c1 ZINC000019797070 571327192 /nfs/dbraw/zinc/32/71/92/571327192.db2.gz QZUNKONWFXAAQY-UHFFFAOYSA-N 0 0 371.400 3.534 50 30 FHEARN Cn1cccc1/C=C1\CN(Cc2ccccc2)C/C(=C\c2cccn2C)C1=O ZINC000020115397 571327961 /nfs/dbraw/zinc/32/79/61/571327961.db2.gz JWQVCSMVARUJDE-OZNQKUEASA-N 0 0 371.484 3.916 50 30 FHEARN O=C1c2ccc([O-])c(C[NH2+]C3CCCCC3)c2O/C1=C\c1ccncc1 ZINC000094993395 571328589 /nfs/dbraw/zinc/32/85/89/571328589.db2.gz VREVPBZEHUEAOO-UNOMPAQXSA-N 0 0 350.418 3.826 50 30 FHEARN Fc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C3SCCN32)cc1 ZINC000020457582 571329633 /nfs/dbraw/zinc/32/96/33/571329633.db2.gz LXHBIOJSJOVCGV-UHFFFAOYSA-N 0 0 371.281 3.812 50 30 FHEARN COc1cc(-c2cc(-c3ccccc3)nc(N)c2C#N)cc(OC)c1OC ZINC000020517488 571330165 /nfs/dbraw/zinc/33/01/65/571330165.db2.gz PHBLNZWVNUZWGL-UHFFFAOYSA-N 0 0 361.401 3.895 50 30 FHEARN C[C@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccnc1)O2 ZINC000020533501 571330800 /nfs/dbraw/zinc/33/08/00/571330800.db2.gz VQPIQPNNLWOARI-KVMVOAJRSA-N 0 0 350.418 3.778 50 30 FHEARN COCCNc1nc(Nc2ccc(C)cc2)c(C#N)c2c1COC(C)(C)C2 ZINC000020590454 571331475 /nfs/dbraw/zinc/33/14/75/571331475.db2.gz VPHHKZBEWXRJBG-UHFFFAOYSA-N 0 0 366.465 3.915 50 30 FHEARN C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)[C@@H]1COc2ccccc21 ZINC000095974325 571333239 /nfs/dbraw/zinc/33/32/39/571333239.db2.gz ZOILYAKJOJOCBF-BEFAXECRSA-N 0 0 352.409 3.535 50 30 FHEARN N#C[C@@H](Cc1ccccc1)NC(=O)/C=C\c1ccccc1Br ZINC000096315816 571335286 /nfs/dbraw/zinc/33/52/86/571335286.db2.gz VLMWYHRNWNBASF-BLIJAFNYSA-N 0 0 355.235 3.713 50 30 FHEARN N#Cc1ccc(CCC(=O)NCc2cccc(Oc3ccccn3)c2)cc1 ZINC000096382548 571335539 /nfs/dbraw/zinc/33/55/39/571335539.db2.gz HQWOYBBYYFBLLA-UHFFFAOYSA-N 0 0 357.413 3.995 50 30 FHEARN C=CCNC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc21 ZINC000021934987 571336226 /nfs/dbraw/zinc/33/62/26/571336226.db2.gz DCISIDHHGWEEGL-UHFFFAOYSA-N 0 0 368.234 3.975 50 30 FHEARN C=CCN(Cc1ccccc1)S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000028332507 571339032 /nfs/dbraw/zinc/33/90/32/571339032.db2.gz KQXSOLBRYPDBQS-UHFFFAOYSA-N 0 0 352.459 3.920 50 30 FHEARN N#Cc1ccccc1NC(=O)COc1ccc(Br)cc1Cl ZINC000002618703 571339215 /nfs/dbraw/zinc/33/92/15/571339215.db2.gz NDJIQGRVEASFGC-UHFFFAOYSA-N 0 0 365.614 3.992 50 30 FHEARN COc1cc(/C=C2\S/C(=N/C3CCCC3)NC2=O)cc(Cl)c1O ZINC000057405823 571343239 /nfs/dbraw/zinc/34/32/39/571343239.db2.gz VEBMCWXIGMHTFR-JYRVWZFOSA-N 0 0 352.843 3.557 50 30 FHEARN N#Cc1ccc(CN2CCCN(C(=O)c3cc4ccccc4o3)CC2)cc1 ZINC000029983982 571344642 /nfs/dbraw/zinc/34/46/42/571344642.db2.gz YUIDZLOJSIAQEB-UHFFFAOYSA-N 0 0 359.429 3.653 50 30 FHEARN N#CCCn1cc(/C=C2/N=C3CCCCCN3C2=O)c(-c2ccccc2)n1 ZINC000003192871 571345391 /nfs/dbraw/zinc/34/53/91/571345391.db2.gz UTAPJGKUHNUHMR-NBVRZTHBSA-N 0 0 359.433 3.619 50 30 FHEARN N#Cc1cccc(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c1 ZINC000003274270 571346494 /nfs/dbraw/zinc/34/64/94/571346494.db2.gz HTDSOXHGNIXIHD-UHFFFAOYSA-N 0 0 373.199 3.826 50 30 FHEARN N#Cc1cccnc1NCCNC(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000057991599 571346771 /nfs/dbraw/zinc/34/67/71/571346771.db2.gz GENTXQALIXFFDB-UHFFFAOYSA-N 0 0 365.437 3.508 50 30 FHEARN CCN(CC)C(=O)COC(=O)c1ccccc1Sc1ccccc1C#N ZINC000003450625 571349926 /nfs/dbraw/zinc/34/99/26/571349926.db2.gz QNTPTECRMLXQFU-UHFFFAOYSA-N 0 0 368.458 3.735 50 30 FHEARN CC(C)=C1Oc2c(ccc3c2[C@@H](c2ccc4c(c2)OCO4)CC(=O)O3)C1=O ZINC000217743343 571350317 /nfs/dbraw/zinc/35/03/17/571350317.db2.gz QNSDMFODWWVWDW-CYBMUJFWSA-N 0 0 364.353 3.725 50 30 FHEARN Cc1ccccc1-c1noc(CSCC(=O)Nc2ccc(C#N)cc2)n1 ZINC000031423011 571352442 /nfs/dbraw/zinc/35/24/42/571352442.db2.gz XWMVTKWUWRXLNZ-UHFFFAOYSA-N 0 0 364.430 3.789 50 30 FHEARN N#CCCN(C(=O)COc1ccccc1Br)c1ccccc1 ZINC000031655719 571353016 /nfs/dbraw/zinc/35/30/16/571353016.db2.gz YQAVIKYJNJLODH-UHFFFAOYSA-N 0 0 359.223 3.775 50 30 FHEARN COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000004069849 571354730 /nfs/dbraw/zinc/35/47/30/571354730.db2.gz ASPMKDLPQANREX-UHFFFAOYSA-N 0 0 365.414 3.951 50 30 FHEARN N#Cc1cnn2c1n(Cc1cccc(C(F)(F)F)c1)c(=O)c1ccccc12 ZINC000004089747 571354874 /nfs/dbraw/zinc/35/48/74/571354874.db2.gz CPVCTQZSYXEYQE-UHFFFAOYSA-N 0 0 368.318 3.588 50 30 FHEARN N#Cc1cn(CC(=O)NCc2cccs2)c2ccc(Br)cc12 ZINC000059109367 571355209 /nfs/dbraw/zinc/35/52/09/571355209.db2.gz MJJXZJNXBHDTJW-UHFFFAOYSA-N 0 0 374.263 3.653 50 30 FHEARN CCCCCCCCN1C(=O)/C(=C\c2ccsc2)C(=O)NC1=S ZINC000103009923 934915007 /nfs/dbraw/zinc/91/50/07/934915007.db2.gz GJOZYSKPYRYWJA-KAMYIIQDSA-N 0 0 350.509 3.735 50 30 FHEARN N#Cc1cn(Cc2ncccc2C(F)(F)F)c2ccc(Cl)cc2c1=O ZINC000428064738 945094395 /nfs/dbraw/zinc/09/43/95/945094395.db2.gz ZSUZZWQZLWSUQF-UHFFFAOYSA-N 0 0 363.726 3.989 50 30 FHEARN C[C@H](C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)n1cncn1 ZINC000079143168 938342676 /nfs/dbraw/zinc/34/26/76/938342676.db2.gz PIIAQEFWEWSHRV-VXGBXAGGSA-N 0 0 357.483 3.562 50 30 FHEARN O=C(Nc1nc2c(s1)CCCC2)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000328871560 942155624 /nfs/dbraw/zinc/15/56/24/942155624.db2.gz YJESNPMKGLYION-OAHLLOKOSA-N 0 0 372.494 3.644 50 30 FHEARN O=C(NCC1(c2cccs2)CCCCC1)N[C@H]1CCc2c[nH]nc2C1 ZINC000329802977 944288357 /nfs/dbraw/zinc/28/83/57/944288357.db2.gz KWUHUEOLGJLUAG-HNNXBMFYSA-N 0 0 358.511 3.734 50 30 FHEARN O=C(NCc1c(F)cccc1OC(F)F)N1CCOC[C@@H](C2CCC2)C1 ZINC000330197685 944344745 /nfs/dbraw/zinc/34/47/45/944344745.db2.gz SDSCHYWVTRUIDV-ZDUSSCGKSA-N 0 0 372.387 3.590 50 30 FHEARN CC(C)c1noc([C@H](NC(=O)c2cccnc2C2CC2)C2CCOCC2)n1 ZINC000330282553 944348690 /nfs/dbraw/zinc/34/86/90/944348690.db2.gz VLJWZZOMHOJCCS-QGZVFWFLSA-N 0 0 370.453 3.938 50 30 FHEARN CC(C)=NOc1nc(N)nc(Nc2ccccc2SC(F)(F)F)n1 ZINC000004421395 945584795 /nfs/dbraw/zinc/58/47/95/945584795.db2.gz HZMYUIRUUKPKOE-UHFFFAOYSA-N 0 0 358.349 3.584 50 30 FHEARN O=C1c2ccccc2OC/C1=C\c1cc2ccccc2nc1N1CCOCC1 ZINC000021189929 947193985 /nfs/dbraw/zinc/19/39/85/947193985.db2.gz QXXWYYGYACMFRN-NBVRZTHBSA-N 0 0 372.424 3.730 50 30 FHEARN C=CCN(C(=O)CCNC(=O)C(C)(C)C)c1nc(-c2ccccc2)cs1 ZINC000012745939 948270122 /nfs/dbraw/zinc/27/01/22/948270122.db2.gz YLQWKNLZKVWFRF-UHFFFAOYSA-N 0 0 371.506 3.882 50 30 FHEARN CCCCCCCCn1c(=O)c2c(nc3oc(C(C)(C)C)cn32)n(C)c1=O ZINC000097992795 209893357 /nfs/dbraw/zinc/89/33/57/209893357.db2.gz VWRUKPDOROXOED-UHFFFAOYSA-N 0 0 374.485 3.599 50 30 FHEARN CC(=O)Nc1cccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 ZINC000000705909 219315118 /nfs/dbraw/zinc/31/51/18/219315118.db2.gz HSQBQRHHPNPUDH-UHFFFAOYSA-N 0 0 368.462 3.568 50 30 FHEARN Cc1ccc(N2C(=O)C[C@@H](Sc3nc(C)c(C)c(C)c3C#N)C2=O)cc1 ZINC000001009811 219352641 /nfs/dbraw/zinc/35/26/41/219352641.db2.gz SXKSXRRPEVRXEC-QGZVFWFLSA-N 0 0 365.458 3.611 50 30 FHEARN COCc1cc(C)nc2sc(C(=O)Nc3ccc(CC#N)cc3)c(N)c21 ZINC000001080164 219366168 /nfs/dbraw/zinc/36/61/68/219366168.db2.gz KUXUKUZEFMEBQZ-UHFFFAOYSA-N 0 0 366.446 3.652 50 30 FHEARN Cc1cc(C#N)c(SCC(=O)Nc2ccc(C(F)(F)F)cn2)nc1C ZINC000215706687 209642715 /nfs/dbraw/zinc/64/27/15/209642715.db2.gz HSLFVIHMVIFIRX-UHFFFAOYSA-N 0 0 366.368 3.715 50 30 FHEARN C=CCN1c2ccccc2/C(=C2/SC(=S)N(CCCCC)C2=O)C1=O ZINC000002672917 209627110 /nfs/dbraw/zinc/62/71/10/209627110.db2.gz ZBBJGHUTCAJOJQ-NXVVXOECSA-N 0 0 372.515 3.981 50 30 FHEARN C[C@@H](OC(=O)COc1ccc(C#N)cc1)C(=O)Nc1cccc2ccccc21 ZINC000015223345 209592542 /nfs/dbraw/zinc/59/25/42/209592542.db2.gz ZCXPEFFQDSPNJP-OAHLLOKOSA-N 0 0 374.396 3.661 50 30 FHEARN C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OC)SC1=S ZINC000013784964 209583035 /nfs/dbraw/zinc/58/30/35/209583035.db2.gz QOKWIQSEDSAWGC-WQLSENKSSA-N 0 0 370.293 3.845 50 30 FHEARN N#Cc1cccc(Cn2cc(-c3cnn(Cc4cccc(C#N)c4)c3)cn2)c1 ZINC000049605867 209335960 /nfs/dbraw/zinc/33/59/60/209335960.db2.gz JDGKJQRGCNXLHZ-UHFFFAOYSA-N 0 0 364.412 3.587 50 30 FHEARN COc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc32)c1OC ZINC000103504613 209253283 /nfs/dbraw/zinc/25/32/83/209253283.db2.gz FSJCCECDLLSSIZ-QGZVFWFLSA-N 0 0 374.396 3.818 50 30 FHEARN CCCCCCCOC(=O)C1C(C)=Nc2nnnn2[C@H]1c1ccc(F)cc1 ZINC000101285055 209222795 /nfs/dbraw/zinc/22/27/95/209222795.db2.gz YJWWFHJRMPAADZ-KRWDZBQOSA-N 0 0 373.432 3.615 50 30 FHEARN Cc1c(NC=CC(=O)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C ZINC000100271303 209211561 /nfs/dbraw/zinc/21/15/61/209211561.db2.gz AISPMHJXHOHCDJ-SEYXRHQNSA-N 0 0 367.836 3.946 50 30 FHEARN Cc1noc2nc(C3CC3)cc(C(=O)OCCOc3ccc(C#N)cc3)c12 ZINC000097134624 209172928 /nfs/dbraw/zinc/17/29/28/209172928.db2.gz UMADYMZHLTXYBO-UHFFFAOYSA-N 0 0 363.373 3.516 50 30 FHEARN CCCCOc1ccc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc1 ZINC000096305144 209149758 /nfs/dbraw/zinc/14/97/58/209149758.db2.gz DHQZIWXCGYPSDR-SSZFMOIBSA-N 0 0 356.443 3.919 50 30 FHEARN C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(N(C)C)cc1)C2 ZINC000004413703 206707930 /nfs/dbraw/zinc/70/79/30/206707930.db2.gz HQSZEMNMYLSXGT-OAHLLOKOSA-N 0 0 352.434 3.645 50 30 FHEARN C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccc(C)cc1 ZINC000006477858 206710148 /nfs/dbraw/zinc/71/01/48/206710148.db2.gz FAFMDNUQEIAIBP-UHFFFAOYSA-N 0 0 371.491 3.627 50 30 FHEARN O=C(NCC#Cc1ccccc1)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000089821633 206805712 /nfs/dbraw/zinc/80/57/12/206805712.db2.gz OSIRNNJTCXFAFA-GOSISDBHSA-N 0 0 373.239 3.654 50 30 FHEARN COC(=O)c1ccc(Oc2c(C)oc3cc(OCC#N)ccc3c2=O)cc1 ZINC000002435707 206799364 /nfs/dbraw/zinc/79/93/64/206799364.db2.gz RPPILYWXLUAWJU-UHFFFAOYSA-N 0 0 365.341 3.583 50 30 biogenic FHEARN CCOc1ccccc1/C=C1\Oc2cc(OC(=O)N(C)C)ccc2C1=O ZINC000009420101 206803025 /nfs/dbraw/zinc/80/30/25/206803025.db2.gz OWETZVNUMCEEBL-WQRHYEAKSA-N 0 0 353.374 3.762 50 30 FHEARN N#Cc1c(NC(=O)Cn2c(=O)sc3ccccc32)sc2c1CCCC2 ZINC000000983925 206851783 /nfs/dbraw/zinc/85/17/83/206851783.db2.gz HARJNGFVFYAQOE-UHFFFAOYSA-N 0 0 369.471 3.514 50 30 FHEARN Cc1ccc(Sc2oc(/C=N/n3cnnc3)cc2Br)cc1 ZINC000001101082 206860256 /nfs/dbraw/zinc/86/02/56/206860256.db2.gz KYIFWUUWPAIDTB-CNHKJKLMSA-N 0 0 363.240 3.975 50 30 FHEARN C=CCOc1ccc(/C=N/n2c(C)nc3c4ccccc4[nH]c3c2=O)cc1 ZINC000002267640 206906664 /nfs/dbraw/zinc/90/66/64/206906664.db2.gz PKWITDQBXTUQBH-LPYMAVHISA-N 0 0 358.401 3.633 50 30 FHEARN C=CCOc1ccccc1/C=C1\C(=O)ON=C1c1ccc([N+](=O)[O-])cc1 ZINC000003097420 206956448 /nfs/dbraw/zinc/95/64/48/206956448.db2.gz VGZFWQDESUEOLE-VBKFSLOCSA-N 0 0 350.330 3.504 50 30 FHEARN N#Cc1cc(NC(=O)c2ccc(F)cc2)c(=O)n2c3ccccc3sc12 ZINC000002891061 206943692 /nfs/dbraw/zinc/94/36/92/206943692.db2.gz HTMSQXFYTAYIRT-UHFFFAOYSA-N 0 0 363.373 3.777 50 30 FHEARN N#Cc1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 ZINC000004070011 207000309 /nfs/dbraw/zinc/00/03/09/207000309.db2.gz NBOLJLRIMHMLKB-UHFFFAOYSA-N 0 0 350.359 3.842 50 30 FHEARN CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccco1 ZINC000004083029 207000479 /nfs/dbraw/zinc/00/04/79/207000479.db2.gz LUDYOKCZETWCOX-VSKRKVRLSA-N 0 0 367.445 3.987 50 30 FHEARN COCc1nnc(SCc2ccc(C#N)cc2)n1-c1ccc(OC)cc1 ZINC000004186370 207007068 /nfs/dbraw/zinc/00/70/68/207007068.db2.gz KIZBOEGZGVQSAI-UHFFFAOYSA-N 0 0 366.446 3.586 50 30 FHEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC/N=C/c1ccccc1O ZINC000004455880 207020228 /nfs/dbraw/zinc/02/02/28/207020228.db2.gz CPKPSQWAHFUTTO-KEBDBYFISA-N 0 0 353.300 3.850 50 30 FHEARN CCN1C(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1ccccc1 ZINC000004460971 207020531 /nfs/dbraw/zinc/02/05/31/207020531.db2.gz JPFDQUXGLASESB-VFOOBRQFSA-N 0 0 371.437 3.806 50 30 FHEARN COc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000004520693 207025423 /nfs/dbraw/zinc/02/54/23/207025423.db2.gz GWDTVFISSNNIPW-JSGCOSHPSA-N 0 0 353.443 3.761 50 30 FHEARN COC(=O)c1sc(NC(=O)c2ccc(OC)c(Cl)c2)c(C#N)c1C ZINC000004537769 207026094 /nfs/dbraw/zinc/02/60/94/207026094.db2.gz DRBLAAKEFKEKOI-UHFFFAOYSA-N 0 0 364.810 3.629 50 30 FHEARN COC(=O)c1ccc(/N=C2/NC(=O)/C(=C\c3ccc(F)cc3)S2)cc1 ZINC000004679373 207037435 /nfs/dbraw/zinc/03/74/35/207037435.db2.gz WZDXQKARZZCUSH-XNTDXEJSSA-N 0 0 356.378 3.504 50 30 FHEARN CSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000004716105 207042433 /nfs/dbraw/zinc/04/24/33/207042433.db2.gz FRKCUZSBOCWCDZ-HNNXBMFYSA-N 0 0 358.442 3.797 50 30 FHEARN Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)cc1)[C@H](C#N)C(=N)O2 ZINC000004859694 207056059 /nfs/dbraw/zinc/05/60/59/207056059.db2.gz JKNAEKWEAVBGFU-HKUYNNGSSA-N 0 0 358.401 3.587 50 30 FHEARN Cc1cc2nnc(SCC(=O)Nc3cccc(C#N)c3)n2c2ccccc12 ZINC000004843531 207054650 /nfs/dbraw/zinc/05/46/50/207054650.db2.gz UZHHZUHJRBWKLI-UHFFFAOYSA-N 0 0 373.441 3.793 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004919557 207062631 /nfs/dbraw/zinc/06/26/31/207062631.db2.gz ZISQYMBZBZMMEZ-MAUKXSAKSA-N 0 0 355.346 3.507 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1cccc(OC)c1OC ZINC000004919594 207063172 /nfs/dbraw/zinc/06/31/72/207063172.db2.gz ZBTFJXJOAWOGKX-BEFAXECRSA-N 0 0 370.401 3.616 50 30 FHEARN O=C1N/C(=N\N=C\c2ccco2)S[C@H]1Cc1cccc(Cl)c1Cl ZINC000004938060 207063618 /nfs/dbraw/zinc/06/36/18/207063618.db2.gz JZVJZNZVGCIPCX-MEBUONCMSA-N 0 0 368.245 3.751 50 30 FHEARN O=C1C[C@@H](c2ccccc2F)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004914753 207060972 /nfs/dbraw/zinc/06/09/72/207060972.db2.gz SICBPJSPPOLFLU-BBRMVZONSA-N 0 0 353.368 3.969 50 30 FHEARN COc1cccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c1 ZINC000004914502 207061068 /nfs/dbraw/zinc/06/10/68/207061068.db2.gz RZLMPRHWZONEBB-CRAIPNDOSA-N 0 0 365.404 3.839 50 30 FHEARN C/C(=N/N=C1\NC(=O)[C@@H](Cc2ccc(F)cc2)S1)c1ccc(C)cc1 ZINC000005048935 207076726 /nfs/dbraw/zinc/07/67/26/207076726.db2.gz UXIMQZQPEJIASD-VYZAVGSRSA-N 0 0 355.438 3.688 50 30 FHEARN N#Cc1cc(NC(=O)c2ccc(Cl)cc2)c(=O)n2c3ccccc3[nH]c12 ZINC000005000384 207070828 /nfs/dbraw/zinc/07/08/28/207070828.db2.gz VREAUUUAJGSMPT-UHFFFAOYSA-N 0 0 362.776 3.558 50 30 FHEARN Cc1cc(C)nc(N=C(NC(=O)Nc2ccccc2)NC2CCCC2)n1 ZINC000005175869 207086508 /nfs/dbraw/zinc/08/65/08/207086508.db2.gz GRNMYURASJMHRO-UHFFFAOYSA-N 0 0 352.442 3.626 50 30 FHEARN COc1ccc(CN2C(=O)[C@@H](C)S/C2=N\N=C\c2ccccc2)cc1 ZINC000005071584 207079095 /nfs/dbraw/zinc/07/90/95/207079095.db2.gz ITWBCSZDEZGLAG-WWUDWGLGSA-N 0 0 353.447 3.549 50 30 FHEARN CCC(=O)N[C@H](Nc1sc2c(c1C#N)CCC2)C(Cl)(Cl)Cl ZINC000005241663 207089314 /nfs/dbraw/zinc/08/93/14/207089314.db2.gz GHETYDIMCRQHPL-GFCCVEGCSA-N 0 0 366.701 3.743 50 30 FHEARN O=C1CCCC2=C1[C@H](c1ccco1)c1c3nc(-c4ccco4)nn3cnc1O2 ZINC000005346804 207094709 /nfs/dbraw/zinc/09/47/09/207094709.db2.gz KOJIOEXRFFUSTD-INIZCTEOSA-N 0 0 374.356 3.509 50 30 FHEARN CC(=O)C1=C(C)Oc2ncn3nc(-c4ccco4)nc3c2[C@@H]1c1ccccc1 ZINC000005347056 207096308 /nfs/dbraw/zinc/09/63/08/207096308.db2.gz DAMQWNHUFUPKJX-QGZVFWFLSA-N 0 0 372.384 3.772 50 30 FHEARN Cc1cc2occ(CC(=O)OCC(=O)Nc3sccc3C#N)c2cc1C ZINC000005628000 207108734 /nfs/dbraw/zinc/10/87/34/207108734.db2.gz MRNQEWBSQLCTFD-UHFFFAOYSA-N 0 0 368.414 3.707 50 30 FHEARN Cc1nn(-c2ccccc2)c2c1C[C@](C#N)(c1ccccn1)[C@@H]1CCCN21 ZINC000005689861 207111779 /nfs/dbraw/zinc/11/17/79/207111779.db2.gz LVBJAXYKDWSGLN-UNMCSNQZSA-N 0 0 355.445 3.562 50 30 FHEARN C=CCNc1nnc(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)s1 ZINC000005784280 207116200 /nfs/dbraw/zinc/11/62/00/207116200.db2.gz ZTEQJCSCUKDFAI-ZDUSSCGKSA-N 0 0 373.507 3.563 50 30 FHEARN CSCC[C@H](NC1=[NH+]C(C)(C)Cc2c3ccccc3ccc21)C(=O)[O-] ZINC000006241318 207134553 /nfs/dbraw/zinc/13/45/53/207134553.db2.gz UEDSXOZPVBHISN-KRWDZBQOSA-N 0 0 356.491 3.717 50 30 FHEARN CCCCc1ccc(C[C@H]2S/C(=N/N=C/c3ccco3)NC2=O)cc1 ZINC000006264733 207135452 /nfs/dbraw/zinc/13/54/52/207135452.db2.gz MTTKKYWVJUYXSP-UOBPLZBXSA-N 0 0 355.463 3.786 50 30 FHEARN CC(C)c1ccc(C[C@@H]2S/C(=N/N=C/c3ccccc3)NC2=O)cc1 ZINC000006263189 207135933 /nfs/dbraw/zinc/13/59/33/207135933.db2.gz AXWFYVTYRYVPQT-LANLRWRYSA-N 0 0 351.475 3.974 50 30 FHEARN N#Cc1ccc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)cc1 ZINC000006605493 207148634 /nfs/dbraw/zinc/14/86/34/207148634.db2.gz PXDOMTJDEZUVQP-UHFFFAOYSA-N 0 0 370.408 3.950 50 30 FHEARN NC(=S)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc21 ZINC000006536407 207144856 /nfs/dbraw/zinc/14/48/56/207144856.db2.gz PKQROUJREMSROA-SSDVNMTOSA-N 0 0 353.422 3.725 50 30 FHEARN CCCn1ccnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000006654081 207152154 /nfs/dbraw/zinc/15/21/54/207152154.db2.gz BWPTUWBWTQDWSM-UHFFFAOYSA-N 0 0 360.508 3.836 50 30 FHEARN CC(=O)c1ccc(-n2c(N)c(C#N)c3c(c2=S)COC(C)(C)C3)cc1 ZINC000006671674 207153225 /nfs/dbraw/zinc/15/32/25/207153225.db2.gz IIRSNWULZHFRPV-UHFFFAOYSA-N 0 0 353.447 3.715 50 30 FHEARN Cc1nc(S(=O)(=O)N(C)c2ccc(Cl)cc2)c(C#N)c(C)c1Cl ZINC000006668705 207153324 /nfs/dbraw/zinc/15/33/24/207153324.db2.gz LPIZOFKVNJAYAZ-UHFFFAOYSA-N 0 0 370.261 3.702 50 30 FHEARN Cc1cccc(-c2nc3n(n2)[C@@H](c2ccc(O)cc2)C2C(=O)CCCC2=N3)c1 ZINC000006732456 207158446 /nfs/dbraw/zinc/15/84/46/207158446.db2.gz VAWHOWCSTSRPAI-FQEVSTJZSA-N 0 0 372.428 3.981 50 30 FHEARN Cc1cccc([C@@H]2C3C(=O)CCCC3=Nc3nc(-c4ccc(O)cc4)nn32)c1 ZINC000006732493 207159116 /nfs/dbraw/zinc/15/91/16/207159116.db2.gz ZFQNJYGRGSAUOT-HXUWFJFHSA-N 0 0 372.428 3.981 50 30 FHEARN C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(C#N)c(Cl)c2)CC1=O ZINC000006882214 207174786 /nfs/dbraw/zinc/17/47/86/207174786.db2.gz FXERTECWEPGMKG-BBRMVZONSA-N 0 0 367.836 3.760 50 30 FHEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2F)cc1 ZINC000006819752 207169648 /nfs/dbraw/zinc/16/96/48/207169648.db2.gz SHNSJIYHHFCBLI-WMLDXEAASA-N 0 0 365.404 3.839 50 30 FHEARN N#CCn1c(CNc2ccc(F)cc2)nc2sc3c(c2c1=O)CCCC3 ZINC000007382922 207194093 /nfs/dbraw/zinc/19/40/93/207194093.db2.gz WZONINFIXRAOQA-UHFFFAOYSA-N 0 0 368.437 3.612 50 30 FHEARN COC(=O)c1c(C)[nH]c(C2=NN/C(=N\C3CCCCC3)S[C@H]2C)c1C ZINC000007779482 207206234 /nfs/dbraw/zinc/20/62/34/207206234.db2.gz MKXDOXBFSVMKLQ-LBPRGKRZSA-N 0 0 362.499 3.536 50 30 FHEARN CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc(Cl)s1 ZINC000007986743 207214805 /nfs/dbraw/zinc/21/48/05/207214805.db2.gz MPRJGEWGXGFUCE-UHFFFAOYSA-N 0 0 365.911 3.894 50 30 FHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)C[C@H]3OC(=O)c4ccccc43)sc2C1 ZINC000007989208 207215152 /nfs/dbraw/zinc/21/51/52/207215152.db2.gz LRLCUUDESWFWKD-BDJLRTHQSA-N 0 0 366.442 3.985 50 30 FHEARN COc1cc(C#N)ccc1O[C@@H](C)C(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000008335364 207230153 /nfs/dbraw/zinc/23/01/53/207230153.db2.gz IZCLKOXHQXVAFP-AWEZNQCLSA-N 0 0 366.417 3.812 50 30 FHEARN N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1Cl ZINC000008263564 207225888 /nfs/dbraw/zinc/22/58/88/207225888.db2.gz CAINDNKAJHVKMO-GFCCVEGCSA-N 0 0 374.227 3.857 50 30 FHEARN C[C@H](Sc1nc2ccccc2n1CCC#N)C(=O)N1CCC(C)CC1 ZINC000008709023 207241786 /nfs/dbraw/zinc/24/17/86/207241786.db2.gz VOHHPOFUNIKUFO-HNNXBMFYSA-N 0 0 356.495 3.689 50 30 FHEARN CC(C)(C)NC(=O)CSc1nc2c(c(C(F)(F)F)c1C#N)CCCC2 ZINC000008993176 207254048 /nfs/dbraw/zinc/25/40/48/207254048.db2.gz YKLHQISQSJBDSC-UHFFFAOYSA-N 0 0 371.428 3.858 50 30 FHEARN C=CCSc1nc2ccsc2c(=O)n1Cc1ccc2c(c1)OCO2 ZINC000036353748 207255305 /nfs/dbraw/zinc/25/53/05/207255305.db2.gz AAPCFOZDORIWRK-UHFFFAOYSA-N 0 0 358.444 3.513 50 30 FHEARN C=CCOc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1OC ZINC000036398799 207255695 /nfs/dbraw/zinc/25/56/95/207255695.db2.gz DUQMYSWUCXQEBG-UHFFFAOYSA-N 0 0 353.422 3.508 50 30 FHEARN COc1ccc(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccn2)cc1 ZINC000009060827 207256940 /nfs/dbraw/zinc/25/69/40/207256940.db2.gz IBDOPZXHFIEKIO-UHFFFAOYSA-N 0 0 360.417 3.551 50 30 FHEARN Cc1ccc(C2CC(=O)C(CN=Nc3nc(C)cc(C)n3)C(=O)C2)cc1 ZINC000009108800 207257310 /nfs/dbraw/zinc/25/73/10/207257310.db2.gz FROSMJKAGSMFCP-BTZNOAQDSA-N 0 0 350.422 3.758 50 30 FHEARN CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2cccc(C#N)c2)C1=O ZINC000009477470 207272741 /nfs/dbraw/zinc/27/27/41/207272741.db2.gz JXQILNDZHNGKLX-OAQYLSRUSA-N 0 0 365.408 3.835 50 30 FHEARN Cc1ccc(NC(=O)COC(=O)c2[nH]c3ccccc3c2C#N)cc1Cl ZINC000009329131 207265444 /nfs/dbraw/zinc/26/54/44/207265444.db2.gz LNTGYEZDPPCUKZ-UHFFFAOYSA-N 0 0 367.792 3.797 50 30 FHEARN Cc1c(C)n(-c2cccnc2)c(NC(=O)COc2c(C)cccc2C)c1C#N ZINC000009344586 207267986 /nfs/dbraw/zinc/26/79/86/207267986.db2.gz ZJDLEUIXNIDWQU-UHFFFAOYSA-N 0 0 374.444 3.995 50 30 FHEARN O=C1c2ccccc2S(=O)(=O)C/C1=C\c1ccc(C(F)(F)F)cc1 ZINC000009762212 207285695 /nfs/dbraw/zinc/28/56/95/207285695.db2.gz CAIWFJBOBHCWLE-FMIVXFBMSA-N 0 0 352.333 3.759 50 30 FHEARN N#Cc1ccccc1OCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000009882531 207289484 /nfs/dbraw/zinc/28/94/84/207289484.db2.gz TVRGGLQZAPXCHT-UHFFFAOYSA-N 0 0 350.374 3.617 50 30 FHEARN Cc1ccc(CCC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 ZINC000010672172 207304242 /nfs/dbraw/zinc/30/42/42/207304242.db2.gz FKECDBJAXYPOQR-UHFFFAOYSA-N 0 0 368.502 3.900 50 30 FHEARN CCN(CC)/C(=N/S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000011847491 207326123 /nfs/dbraw/zinc/32/61/23/207326123.db2.gz RWQAZUZITNXJDO-HTXNQAPBSA-N 0 0 350.871 3.817 50 30 FHEARN N#Cc1ccc(Sc2nnc(-c3cccnc3)n2-c2ccccc2)nc1 ZINC000012536600 207389516 /nfs/dbraw/zinc/38/95/16/207389516.db2.gz VTTWREIPXKBMDJ-UHFFFAOYSA-N 0 0 356.414 3.747 50 30 FHEARN N#Cc1c(N)n[nH]c1CCCNc1nc2ccccc2c(-c2ccccc2)n1 ZINC000012550432 207392308 /nfs/dbraw/zinc/39/23/08/207392308.db2.gz MDQJZFCNRMWYAN-UHFFFAOYSA-N 0 0 369.432 3.518 50 30 FHEARN Cc1nc(-c2ccc3c(c2)CCN3CC(=O)Nc2ccccc2C#N)cs1 ZINC000012564490 207394616 /nfs/dbraw/zinc/39/46/16/207394616.db2.gz XBURPCDOLBQLOU-UHFFFAOYSA-N 0 0 374.469 3.991 50 30 FHEARN Cc1cc(=O)n2nc(Oc3ccc(-c4ccc(C#N)cc4)cc3)sc2n1 ZINC000012892589 207431790 /nfs/dbraw/zinc/43/17/90/207431790.db2.gz YTESPOMXCSUYLK-UHFFFAOYSA-N 0 0 360.398 3.790 50 30 FHEARN COc1ccnc(NC=NOCc2cccc(Cl)c2Cl)c1C#N ZINC000013142654 207452825 /nfs/dbraw/zinc/45/28/25/207452825.db2.gz JEZKUILHUAOADY-UHFFFAOYSA-N 0 0 351.193 3.650 50 30 FHEARN C[C@H](NC(=O)CSc1nc2c(cc1C#N)CCCC2)c1ccccc1 ZINC000015834505 207568395 /nfs/dbraw/zinc/56/83/95/207568395.db2.gz XOOFWYNHRGFXOB-AWEZNQCLSA-N 0 0 351.475 3.802 50 30 FHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000015317449 207550523 /nfs/dbraw/zinc/55/05/23/207550523.db2.gz PMPGODVEKDHJGX-AWEZNQCLSA-N 0 0 358.825 3.516 50 30 FHEARN O=S(=O)(N=C(NC1CCCCC1)c1ccccc1F)c1ccccc1 ZINC000015894658 207574647 /nfs/dbraw/zinc/57/46/47/207574647.db2.gz XROBDIZJVSWSIE-UHFFFAOYSA-N 0 0 360.454 3.884 50 30 FHEARN CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNc2ccccc2N)C1=O ZINC000016193145 207580754 /nfs/dbraw/zinc/58/07/54/207580754.db2.gz CWJOVIQYYFIOCM-QBFSEMIESA-N 0 0 362.385 3.568 50 30 FHEARN CN(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C)cc1 ZINC000018157490 207628868 /nfs/dbraw/zinc/62/88/68/207628868.db2.gz NPEXAEOUMYOIHR-KRWDZBQOSA-N 0 0 370.836 3.614 50 30 FHEARN CSc1nc(NC[C@H]2CCCO2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820616 207712172 /nfs/dbraw/zinc/71/21/72/207712172.db2.gz SMPJXEWHZIIVCU-CYBMUJFWSA-N 0 0 360.870 3.981 50 30 FHEARN Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3nc[nH]n3)[C@H]2c2cccs2)cc1 ZINC000023141098 207834958 /nfs/dbraw/zinc/83/49/58/207834958.db2.gz AFJHKUXJNWUGHS-CJNGLKHVSA-N 0 0 367.434 3.557 50 30 FHEARN C=CCOc1ccc(/C=C2/CS(=O)(=O)c3ccc(Cl)cc3C2=O)cc1 ZINC000032865775 208050275 /nfs/dbraw/zinc/05/02/75/208050275.db2.gz JDPRPOURFOVRIN-UVTDQMKNSA-N 0 0 374.845 3.958 50 30 FHEARN Cn1c2ccccc2nc1NN=Cc1cc(C(C)(C)C)cc(C=O)c1O ZINC000030955038 208007659 /nfs/dbraw/zinc/00/76/59/208007659.db2.gz ZYXJYVIZMJDTPH-SRZZPIQSSA-N 0 0 350.422 3.835 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2[nH]ccc2c1 ZINC000032093741 208024309 /nfs/dbraw/zinc/02/43/09/208024309.db2.gz AUNQZGLDAICRJL-IBGZPJMESA-N 0 0 364.445 3.945 50 30 FHEARN CC(C)c1ccc(CN(C)CC(=O)N(CCC#N)Cc2ccco2)cc1 ZINC000032751400 208039089 /nfs/dbraw/zinc/03/90/89/208039089.db2.gz JDOODWCIGSLCHM-UHFFFAOYSA-N 0 0 353.466 3.777 50 30 FHEARN C#CC(CC)(CC)NC(=O)CCCOc1ccc(Br)cc1 ZINC000003333805 208100539 /nfs/dbraw/zinc/10/05/39/208100539.db2.gz QNRIGOQYYWVVFG-UHFFFAOYSA-N 0 0 352.272 3.916 50 30 FHEARN N#Cc1ccc(C(=O)N2CCC[C@@H](c3nnc(-c4ccccc4)o3)C2)cc1 ZINC000033275940 208081267 /nfs/dbraw/zinc/08/12/67/208081267.db2.gz GGACVXGCEDLCRB-GOSISDBHSA-N 0 0 358.401 3.628 50 30 FHEARN O=C(c1cccs1)C1C(C(F)(F)F)=Nc2ncnn2[C@@H]1c1ccoc1 ZINC000036611870 208166315 /nfs/dbraw/zinc/16/63/15/208166315.db2.gz VYIDZAGYXVZHGO-LLVKDONJSA-N 0 0 366.324 3.647 50 30 FHEARN C[C@@H]1CCCN(CN2c3ccccc3C(=NNc3ccccc3F)C2=O)C1 ZINC000036137567 208148870 /nfs/dbraw/zinc/14/88/70/208148870.db2.gz QSCGUFNKDBSTRB-YWNOGDAOSA-N 0 0 366.440 3.678 50 30 FHEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccc(F)c2O)C1=O ZINC000036257396 208151119 /nfs/dbraw/zinc/15/11/19/208151119.db2.gz LAYDBERTOOQHKH-GXDHUFHOSA-N 0 0 371.389 3.685 50 30 FHEARN CCOC(=O)C1=C(Nc2cccc(C)c2)SC(=Cc2cccn2C)C1=O ZINC000036258253 208151637 /nfs/dbraw/zinc/15/16/37/208151637.db2.gz NPPHBYNDVNCUMZ-FOWTUZBSSA-N 0 0 368.458 3.877 50 30 FHEARN COC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2ccc(O)cc2)C1=O ZINC000036257250 208152968 /nfs/dbraw/zinc/15/29/68/208152968.db2.gz XQPYCOPWWWLHQK-LFIBNONCSA-N 0 0 367.426 3.854 50 30 FHEARN O=C(NCC#CCN1CCc2ccccc2C1)c1cccc2ccccc21 ZINC000070641608 208175451 /nfs/dbraw/zinc/17/54/51/208175451.db2.gz LBDXLVWPPUIHNZ-UHFFFAOYSA-N 0 0 354.453 3.631 50 30 FHEARN COc1cc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc(OC)c1OC ZINC000040546316 208254103 /nfs/dbraw/zinc/25/41/03/208254103.db2.gz KPUKWWGYCMXMQX-UHFFFAOYSA-N 0 0 373.792 3.654 50 30 FHEARN N#Cc1ccccc1NC(=S)N1CCC([C@@H](O)c2ccccc2)CC1 ZINC000044103078 208311598 /nfs/dbraw/zinc/31/15/98/208311598.db2.gz ZRWPBWQUBPIGLZ-IBGZPJMESA-N 0 0 351.475 3.701 50 30 FHEARN Cc1cc(C(N)=O)ccc1NC(=O)c1ccccc1-c1ccccc1C#N ZINC000041931727 208289023 /nfs/dbraw/zinc/28/90/23/208289023.db2.gz BJESLQABLSSGIA-UHFFFAOYSA-N 0 0 355.397 3.885 50 30 FHEARN C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)COc2cccc(C#N)c2)C2CC2)o1 ZINC000045034484 208325791 /nfs/dbraw/zinc/32/57/91/208325791.db2.gz INRWUECPWDQWBI-KUHUBIRLSA-N 0 0 350.418 3.845 50 30 FHEARN C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1sccc1C#N ZINC000057392141 208504415 /nfs/dbraw/zinc/50/44/15/208504415.db2.gz IAKGDFGLUYGVQT-NSHDSACASA-N 0 0 356.476 3.861 50 30 FHEARN N#Cc1cnn(C(=O)COc2ccc(Cl)cc2C2CCCCC2)c1N ZINC000060470848 208596271 /nfs/dbraw/zinc/59/62/71/208596271.db2.gz PTMIZEIXGYGTNO-UHFFFAOYSA-N 0 0 358.829 3.757 50 30 FHEARN Cn1nc(C2CC2)c2c1NC(=O)C[C@H]2c1ccc(-c2ccccc2C#N)o1 ZINC000065371680 208667272 /nfs/dbraw/zinc/66/72/72/208667272.db2.gz LYJOPLHUTMPJSS-HNNXBMFYSA-N 0 0 358.401 3.903 50 30 FHEARN N#Cc1ccc(N[C@H]2CCCc3c2cnn3-c2ccc(F)cc2F)nc1 ZINC000092021182 209011737 /nfs/dbraw/zinc/01/17/37/209011737.db2.gz GIZAXUAMNYLZDM-INIZCTEOSA-N 0 0 351.360 3.907 50 30 FHEARN CC[C@H]1c2ccsc2CCN1S(=O)(=O)CC1(C#N)CCCCC1 ZINC000095942005 209088353 /nfs/dbraw/zinc/08/83/53/209088353.db2.gz ICSSDRPGZHXZDQ-HNNXBMFYSA-N 0 0 352.525 3.861 50 30 FHEARN N#Cc1ccc(N2CCN(Cc3cc(C4CCCCC4)no3)CC2)cc1 ZINC000252479813 132292259 /nfs/dbraw/zinc/29/22/59/132292259.db2.gz BNBLIXMKSUGFIG-UHFFFAOYSA-N 0 0 350.466 3.916 50 30 FHEARN C=CCNC(=O)C[C@@H]1COc2ccc(Cl)cc2N1Cc1ccccc1 ZINC000064663738 132305084 /nfs/dbraw/zinc/30/50/84/132305084.db2.gz MUACDPNAYNWGJJ-QGZVFWFLSA-N 0 0 356.853 3.800 50 30 FHEARN N#Cc1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)[C@@H]1CCCN21 ZINC000001386618 132381731 /nfs/dbraw/zinc/38/17/31/132381731.db2.gz ZSXQPTYRVJDHED-KRWDZBQOSA-N 0 0 355.800 3.866 50 30 FHEARN CCCCn1ccnc1[C@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000095523506 209074526 /nfs/dbraw/zinc/07/45/26/209074526.db2.gz XCRHMMUGPIQUJG-KRWDZBQOSA-N 0 0 351.454 3.966 50 30 FHEARN COc1ccc(/C(C)=N/OCC(=O)Nc2cccc(C)c2C)c(OC)c1 ZINC000000669928 263141113 /nfs/dbraw/zinc/14/11/13/263141113.db2.gz JWEVQKYEPWRVND-PXLXIMEGSA-N 0 0 356.422 3.700 50 30 FHEARN C=CCn1c(SCC(=O)c2cc(F)ccc2F)nnc1-c1ccncc1 ZINC000003350726 263328795 /nfs/dbraw/zinc/32/87/95/263328795.db2.gz KBQSZIJSEUYHSX-UHFFFAOYSA-N 0 0 372.400 3.779 50 30 FHEARN Cc1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)o1 ZINC000005186711 263339367 /nfs/dbraw/zinc/33/93/67/263339367.db2.gz NBJPWOWFXLJOLU-YVLHZVERSA-N 0 0 356.374 3.925 50 30 FHEARN C=CCNC(=O)CSc1nnc(Nc2ccccc2C(F)(F)F)s1 ZINC000009221079 263360709 /nfs/dbraw/zinc/36/07/09/263360709.db2.gz NYCLAHUHDHPXQX-UHFFFAOYSA-N 0 0 374.413 3.695 50 30 FHEARN Cc1cc(C)nc(NC(=N)Nc2ccc(OCCc3ccccc3)cc2)n1 ZINC000019707155 263375453 /nfs/dbraw/zinc/37/54/53/263375453.db2.gz CPZQPYDGSZKLAB-UHFFFAOYSA-N 0 0 361.449 3.773 50 30 FHEARN C=CCn1cnnc1S[C@@H](C)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000022132855 263385412 /nfs/dbraw/zinc/38/54/12/263385412.db2.gz WYYGFTSILXTWQU-QCUKBLKESA-N 0 0 368.506 3.825 50 30 FHEARN Cc1ccc(S(=O)(=O)N/N=C(\Cc2ccccc2)c2ccccc2)cc1 ZINC000033583177 263396557 /nfs/dbraw/zinc/39/65/57/263396557.db2.gz INMYHVHTZKDKDK-QURGRASLSA-N 0 0 364.470 3.920 50 30 FHEARN CC(=O)N[C@@H](CC(=O)Nc1ccccc1SCCC#N)c1ccccc1 ZINC000095953484 263429081 /nfs/dbraw/zinc/42/90/81/263429081.db2.gz CWVHVCQENVVBTF-SFHVURJKSA-N 0 0 367.474 3.898 50 30 FHEARN C#CC(CC)(CC)NC(=O)CSc1nc(C2CC2)nc2ccccc21 ZINC000010947065 518238732 /nfs/dbraw/zinc/23/87/32/518238732.db2.gz XHWBZBSMVIYNTK-UHFFFAOYSA-N 0 0 353.491 3.908 50 30 FHEARN C#CCn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccccc1Cl ZINC000100875874 518343531 /nfs/dbraw/zinc/34/35/31/518343531.db2.gz CZLRZFXXMSQBAX-ZZEZOPTASA-N 0 0 356.834 3.739 50 30 FHEARN C(=NN1CCN(c2ccccn2)CC1)c1cccc(OCc2ccccc2)c1 ZINC000238950457 518378790 /nfs/dbraw/zinc/37/87/90/518378790.db2.gz YBWSOZFLRHWWGC-UHFFFAOYSA-N 0 0 372.472 3.817 50 30 FHEARN CC(=[NH+]Cc1cccnc1)c1c(C)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000018009992 518449386 /nfs/dbraw/zinc/44/93/86/518449386.db2.gz BDIKYUOIVOAELM-MTJSOVHGSA-N 0 0 363.446 3.900 50 30 FHEARN C=C(C)COc1cccc(C(=O)N2CCC[C@H]2c2ccc(C(N)=O)s2)c1 ZINC000020450015 518619612 /nfs/dbraw/zinc/61/96/12/518619612.db2.gz QWALPDZFPJBEFG-INIZCTEOSA-N 0 0 370.474 3.779 50 30 FHEARN C=C(C)CSc1nnc(SCC(=O)N(CCC)CC2CC2)s1 ZINC000012905127 518627262 /nfs/dbraw/zinc/62/72/62/518627262.db2.gz ZTENIUBNLLIEML-UHFFFAOYSA-N 0 0 357.570 3.947 50 30 FHEARN C=C(C)Cn1cnc2c(sc3nc(C)c4c(c32)CC(C)(C)OC4)c1=O ZINC000009423432 518642137 /nfs/dbraw/zinc/64/21/37/518642137.db2.gz IJBDPROSXUCHPQ-UHFFFAOYSA-N 0 0 355.463 3.742 50 30 FHEARN C=CCC(C(=O)N[C@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 ZINC000002250537 518685405 /nfs/dbraw/zinc/68/54/05/518685405.db2.gz NLZCBGJMOFLKPE-IAGOWNOFSA-N 0 0 350.462 3.934 50 30 FHEARN C=CCCC(=O)NCc1nnc(SCCc2ccccc2)n1CC(C)C ZINC000014997532 518696602 /nfs/dbraw/zinc/69/66/02/518696602.db2.gz HHGGJBLKGRRFPX-UHFFFAOYSA-N 0 0 372.538 3.851 50 30 FHEARN C=CCN(C(=O)[C@@H](C)n1nc(-c2ccc(C)cc2)ccc1=O)c1ccccc1 ZINC000021174351 518736199 /nfs/dbraw/zinc/73/61/99/518736199.db2.gz YAQUEZOAIQVAAO-GOSISDBHSA-N 0 0 373.456 3.999 50 30 FHEARN C=CCN(Cc1ccc(C)s1)C(=O)[C@H](C)n1cnc2ccccc2c1=O ZINC000055071616 518778516 /nfs/dbraw/zinc/77/85/16/518778516.db2.gz ORARGDJOJMVMBL-HNNXBMFYSA-N 0 0 367.474 3.542 50 30 FHEARN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000032505035 518781098 /nfs/dbraw/zinc/78/10/98/518781098.db2.gz LJOXWLAVRXPDCX-HNNXBMFYSA-N 0 0 361.850 3.698 50 30 FHEARN C=CCNC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 ZINC000002485393 518898234 /nfs/dbraw/zinc/89/82/34/518898234.db2.gz DWBFLVGEOZKHCO-UHFFFAOYSA-N 0 0 359.398 3.618 50 30 FHEARN C=CCNc1nc(C(=O)OCc2cc(-c3ccccc3OC)no2)cs1 ZINC000009498632 518963116 /nfs/dbraw/zinc/96/31/16/518963116.db2.gz KVRHVZAZJQUWFK-UHFFFAOYSA-N 0 0 371.418 3.762 50 30 FHEARN CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2ccc(O)cc2O)cc1 ZINC000239038903 519009575 /nfs/dbraw/zinc/00/95/75/519009575.db2.gz FDHREDWHQNDUKI-UHFFFAOYSA-N 0 0 368.462 3.825 50 30 FHEARN C=CCOc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000004865855 519026540 /nfs/dbraw/zinc/02/65/40/519026540.db2.gz FXOAHHIEFPZPCL-UHFFFAOYSA-N 0 0 356.853 3.867 50 30 FHEARN C=CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)cc1 ZINC000004574940 519039795 /nfs/dbraw/zinc/03/97/95/519039795.db2.gz WNHANOPIIIHNGB-MRXNPFEDSA-N 0 0 350.418 3.551 50 30 FHEARN C=CCSc1nnc(NC(=O)CCc2cnn(-c3ccccc3)c2)s1 ZINC000032808618 519084716 /nfs/dbraw/zinc/08/47/16/519084716.db2.gz XJFQZJTUCXRQSL-UHFFFAOYSA-N 0 0 371.491 3.573 50 30 FHEARN C=CCc1ccc(OCCOCCOc2ccccc2[N+](=O)[O-])c(OC)c1 ZINC000002994688 519137849 /nfs/dbraw/zinc/13/78/49/519137849.db2.gz QUCQPZWXIXCEBC-UHFFFAOYSA-N 0 0 373.405 3.806 50 30 FHEARN C=CCc1ccccc1OCc1cc(=O)n2c3c(sc2n1)CCCC3 ZINC000020859114 519146413 /nfs/dbraw/zinc/14/64/13/519146413.db2.gz OPZNRJGDEASPJE-UHFFFAOYSA-N 0 0 352.459 3.942 50 30 FHEARN C=CCn1c(=O)c2ccc(Cl)cc2nc1SCc1nnc(C2CC2)o1 ZINC000058434648 519160945 /nfs/dbraw/zinc/16/09/45/519160945.db2.gz RBZTXLSEKMSGTN-UHFFFAOYSA-N 0 0 374.853 3.789 50 30 FHEARN C=CCn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2sccc21 ZINC000037525798 519165789 /nfs/dbraw/zinc/16/57/89/519165789.db2.gz YSEGOLSQIPZWSO-UHFFFAOYSA-N 0 0 365.502 3.847 50 30 FHEARN C=CCn1c2c(cccc2OC)s/c1=N\C(=O)c1ccc(N(C)C)cc1 ZINC000100909780 519260942 /nfs/dbraw/zinc/26/09/42/519260942.db2.gz FJRJGIBCLTYVNK-MRCUWXFGSA-N 0 0 367.474 3.705 50 30 FHEARN C=CCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)C1CCCCC1 ZINC000100874925 519262711 /nfs/dbraw/zinc/26/27/11/519262711.db2.gz VNDYWOISNOYNQV-VZCXRCSSSA-N 0 0 357.479 3.855 50 30 FHEARN C=CCn1nnc(NCc2ccccc2OCc2ccc(Cl)cc2)n1 ZINC000015356955 519291663 /nfs/dbraw/zinc/29/16/63/519291663.db2.gz WSRDNOHXKVILDI-UHFFFAOYSA-N 0 0 355.829 3.704 50 30 FHEARN CC(=O)O[C@H]1CC[C@@]2(/C=N/O)C(=CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000261490499 519757933 /nfs/dbraw/zinc/75/79/33/519757933.db2.gz JIIVOVFNPCJNDJ-PPTYOANNSA-N 0 0 359.466 3.890 50 30 FHEARN CCCC(=O)C1=C(NCCc2ccc(OC)c(OC)c2)CC(C)(C)CC1=O ZINC000100319215 519862060 /nfs/dbraw/zinc/86/20/60/519862060.db2.gz FXEOAANOWJETLU-UHFFFAOYSA-N 0 0 373.493 3.848 50 30 FHEARN CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C)cc1 ZINC000002801329 519971838 /nfs/dbraw/zinc/97/18/38/519971838.db2.gz WTCNAYPUXMJTKU-HXUWFJFHSA-N 0 0 369.461 3.543 50 30 FHEARN CCCCCCCNc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2 ZINC000002109722 520060132 /nfs/dbraw/zinc/06/01/32/520060132.db2.gz QHOGLBFSOKFMNL-UHFFFAOYSA-N 0 0 371.481 3.866 50 30 biogenic FHEARN CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)N[C@H](C)c2ccccc2)C1=O ZINC000103139436 520067998 /nfs/dbraw/zinc/06/79/98/520067998.db2.gz JQNXNXZBSJUPKS-IIBYNOLFSA-N 0 0 373.497 3.535 50 30 FHEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(O)c1 ZINC000100435675 520703300 /nfs/dbraw/zinc/70/33/00/520703300.db2.gz FVOXFBOLMBDHFI-IBGZPJMESA-N 0 0 355.434 3.703 50 30 FHEARN CCOc1ccc(C=NN2C(=S)N=NC2c2ccc(OC)cc2)cc1 ZINC000239231177 520932657 /nfs/dbraw/zinc/93/26/57/520932657.db2.gz VBSOPLCTKKGXDL-UHFFFAOYSA-N 0 0 354.435 3.523 50 30 FHEARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O ZINC000005967413 521034907 /nfs/dbraw/zinc/03/49/07/521034907.db2.gz QROSOHFEKKTKPA-HIPMGEKLSA-N 0 0 356.349 3.772 50 30 FHEARN CCOC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C=O)[C@@H]3CC[C@]12C ZINC000254702241 521135320 /nfs/dbraw/zinc/13/53/20/521135320.db2.gz TUNNPNUOPZXPEB-NVLJRBADSA-N 0 0 358.478 3.877 50 30 FHEARN CCCNC(=O)[C@H](C)NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1 ZINC000082070622 521658860 /nfs/dbraw/zinc/65/88/60/521658860.db2.gz GFWMAVSQSDUHPT-LBPRGKRZSA-N 0 0 359.392 3.849 50 30 FHEARN CCC1N=NC(=S)N1N=Cc1ccc(COc2ccccc2Cl)o1 ZINC000036611337 522780429 /nfs/dbraw/zinc/78/04/29/522780429.db2.gz NBBYWKWXYQXBAP-GIJQJNRQSA-N 0 0 362.842 3.837 50 30 FHEARN COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC(F)F ZINC000007745513 523403025 /nfs/dbraw/zinc/40/30/25/523403025.db2.gz ZLVVIFMLORNRTF-GORDUTHDSA-N 0 0 362.328 3.964 50 30 FHEARN COc1ccc(/C=C2\Oc3cc(OC(=O)c4cccnc4)ccc3C2=O)cc1 ZINC000016215914 523425573 /nfs/dbraw/zinc/42/55/73/523425573.db2.gz XQVLUPDROULPOV-JAIQZWGSSA-N 0 0 373.364 3.926 50 30 FHEARN CCc1cc2c(ncnc2SCC(=O)[C@H](C#N)c2nc(C)cs2)s1 ZINC000007823482 523851532 /nfs/dbraw/zinc/85/15/32/523851532.db2.gz MSIYLAGAOMUHNT-LBPRGKRZSA-N 0 0 374.516 3.987 50 30 FHEARN Cc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cccnc1 ZINC000059337608 524198090 /nfs/dbraw/zinc/19/80/90/524198090.db2.gz IWBHAEVKOMRTRB-QGZVFWFLSA-N 0 0 355.401 3.856 50 30 FHEARN COc1ccccc1/C=C/C=N\N1CCN(c2ccccc2OC)CC1 ZINC000004482750 524315911 /nfs/dbraw/zinc/31/59/11/524315911.db2.gz IOEFSUWPUYWYBZ-KIMCNIAYSA-N 0 0 351.450 3.525 50 30 FHEARN C[C@H](NC(=O)CSCC#N)c1ccc(NC(=O)Nc2ccccc2)cc1 ZINC000058227428 524974722 /nfs/dbraw/zinc/97/47/22/524974722.db2.gz IGFVKKFHDVCRIC-AWEZNQCLSA-N 0 0 368.462 3.765 50 30 FHEARN Cc1ccccc1C[C@H]1SC(NN=Cc2ccc(Cl)cc2)=NC1=O ZINC000006056079 525199520 /nfs/dbraw/zinc/19/95/20/525199520.db2.gz STHIIXWUORFXAC-MBTVCVBTSA-N 0 0 357.866 3.813 50 30 FHEARN COc1ccc([C@@H]2C[C@H]([C@@H]3C(=O)CCC[C@H]3O)C3=C(CCCC3=O)O2)cc1 ZINC000252428123 525265665 /nfs/dbraw/zinc/26/56/65/525265665.db2.gz QRSLYQPONMQITO-RFZJPIJTSA-N 0 0 370.445 3.510 50 30 FHEARN Cc1ccc(-c2nnc(SCC#CCOC(=O)c3ccccc3)o2)cc1 ZINC000004538876 525855528 /nfs/dbraw/zinc/85/55/28/525855528.db2.gz FVCNGBVBAIDRFD-UHFFFAOYSA-N 0 0 364.426 3.998 50 30 FHEARN C[C@@H](Oc1cccc(Cl)c1)C(=O)ONC(=N)c1ccc(Cl)cc1 ZINC000004978568 525943666 /nfs/dbraw/zinc/94/36/66/525943666.db2.gz JEAQWLPBCGTUJU-SNVBAGLBSA-N 0 0 353.205 3.624 50 30 FHEARN COc1cccc(N=C(Nc2ccccc2C#N)n2sc(C)cc2=N)c1 ZINC000020344091 526138217 /nfs/dbraw/zinc/13/82/17/526138217.db2.gz NPBFNHNEAIPUGX-UHFFFAOYSA-N 0 0 363.446 3.866 50 30 FHEARN CC1N=NC(=S)N1N=Cc1ccc(COc2ccc(F)cc2Cl)o1 ZINC000036611098 526376860 /nfs/dbraw/zinc/37/68/60/526376860.db2.gz TZSZZDSXMDWKCK-CNHKJKLMSA-N 0 0 366.805 3.722 50 30 FHEARN N#CCCN(C(=O)CN1CCC[C@H]1c1cccs1)c1ccccc1F ZINC000020947918 526448606 /nfs/dbraw/zinc/44/86/06/526448606.db2.gz WPNDZFVLPSIQOZ-KRWDZBQOSA-N 0 0 357.454 3.971 50 30 FHEARN N#CCCN1CCN(C(=S)c2ccc(-c3ccccc3Cl)o2)CC1 ZINC000019891906 526459470 /nfs/dbraw/zinc/45/94/70/526459470.db2.gz MJBKUIHTHAHIPU-UHFFFAOYSA-N 0 0 359.882 3.807 50 30 FHEARN N#CCOc1ccc(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000043558261 526474958 /nfs/dbraw/zinc/47/49/58/526474958.db2.gz VUTVWVDJXOFWRE-UHFFFAOYSA-N 0 0 363.417 3.716 50 30 FHEARN N#Cc1ccc(C(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2)[nH]1 ZINC000089826341 526596181 /nfs/dbraw/zinc/59/61/81/526596181.db2.gz LPLVBIWBIOJWMK-GOSISDBHSA-N 0 0 354.413 3.930 50 30 FHEARN O=C(/C=C\c1cc2ccccc2nc1N1CCOCC1)c1cccc(O)c1 ZINC000096792720 527654403 /nfs/dbraw/zinc/65/44/03/527654403.db2.gz AFWISWUPOADYGK-HJWRWDBZSA-N 0 0 360.413 3.673 50 30 FHEARN CCN1CC2(CCN(c3cc(C#N)ccn3)CC2)C[C@H](c2ccccc2)C1=O ZINC000091645863 535443899 /nfs/dbraw/zinc/44/38/99/535443899.db2.gz XBPCCFUDOBRLFM-HXUWFJFHSA-N 0 0 374.488 3.576 50 30 FHEARN C=C(Cl)COc1ccc2nc(C)n(-c3ccc4c(c3)OCO4)c(=O)c2c1 ZINC000012296709 568098930 /nfs/dbraw/zinc/09/89/30/568098930.db2.gz CLOJXZYWDKCALD-UHFFFAOYSA-N 0 0 370.792 3.554 50 30 FHEARN CC(=O)[C@@H]1C(=O)c2ccc([N+](=O)[O-])cc2C1=Nc1ccc2cccnc2c1 ZINC000000721872 568135999 /nfs/dbraw/zinc/13/59/99/568135999.db2.gz KQJZCOPWIYROIQ-SFHVURJKSA-N 0 0 359.341 3.665 50 30 FHEARN N#C[C@@H](C1=NC(=O)CS1)[C@@H](CC(=O)c1cccs1)c1ccccc1 ZINC000012322143 568155791 /nfs/dbraw/zinc/15/57/91/568155791.db2.gz GEIRPHIWQKUAFL-UONOGXRCSA-N 0 0 354.456 3.916 50 30 FHEARN COc1cc(N2CCCC2)c(OC)cc1C=C1C(=O)c2ccccc2C1=O ZINC000000660924 570445010 /nfs/dbraw/zinc/44/50/10/570445010.db2.gz XQQIQKBGURCLCQ-UHFFFAOYSA-N 0 0 363.413 3.767 50 30 FHEARN O=c1c2ccccc2nc(-c2ccco2)n1/N=C/c1cc(Cl)ccc1O ZINC000000726816 570453656 /nfs/dbraw/zinc/45/36/56/570453656.db2.gz APJCLRLPDWEXES-SRZZPIQSSA-N 0 0 365.776 3.898 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCC ZINC000000865501 570461891 /nfs/dbraw/zinc/46/18/91/570461891.db2.gz CNIRCXQRNBPBCH-LJQANCHMSA-N 0 0 355.434 3.616 50 30 FHEARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@@H]2c2ccc(Br)cc2)C1 ZINC000000950988 570465725 /nfs/dbraw/zinc/46/57/25/570465725.db2.gz XOUNBXYBUMMNBR-OAHLLOKOSA-N 0 0 373.254 3.699 50 30 FHEARN Cc1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1Cl ZINC000000958085 570466606 /nfs/dbraw/zinc/46/66/06/570466606.db2.gz KDWQOHPYJYLFQO-UHFFFAOYSA-N 0 0 355.850 3.975 50 30 FHEARN Cc1onc(-c2c(F)cccc2Cl)c1C(=O)ONC(=O)c1ccccc1 ZINC000001048677 570477337 /nfs/dbraw/zinc/47/73/37/570477337.db2.gz RXKAXNARGGJEIS-UHFFFAOYSA-N 0 0 374.755 3.944 50 30 FHEARN O=C1C(Cl)=C(N2CCCCC2)C(=O)C(Cl)=C1/C=C/N1CCCCC1 ZINC000001190521 570490727 /nfs/dbraw/zinc/49/07/27/570490727.db2.gz GKDPJWCPSNIMSO-KPKJPENVSA-N 0 0 369.292 3.567 50 30 FHEARN CCOC(=O)c1ccc(NC=C2C(=O)CC(c3ccccc3)CC2=O)cc1 ZINC000001197139 570491441 /nfs/dbraw/zinc/49/14/41/570491441.db2.gz TYSZJIOKAIVJDK-UHFFFAOYSA-N 0 0 363.413 3.875 50 30 FHEARN CC(C)c1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3ccccc3)S2)cc1 ZINC000001217723 570494055 /nfs/dbraw/zinc/49/40/55/570494055.db2.gz FZGRQACXVCDGLO-LANLRWRYSA-N 0 0 351.475 3.974 50 30 FHEARN Cc1ccc(/N=C2\NC(=O)C[C@H](C(=O)Nc3ccc(C)cc3)S2)cc1 ZINC000001295714 570497100 /nfs/dbraw/zinc/49/71/00/570497100.db2.gz WFXSOXCVZVJCNR-MRXNPFEDSA-N 0 0 353.447 3.551 50 30 FHEARN N#Cc1c(N)nc(-c2ccc[nH]2)cc1-c1cnc(NCc2ccccc2)nc1 ZINC000071764041 570511929 /nfs/dbraw/zinc/51/19/29/570511929.db2.gz BIPATGBNHGFTAC-UHFFFAOYSA-N 0 0 367.416 3.600 50 30 FHEARN C[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc2c(c1)CCCC2 ZINC000014188124 570518744 /nfs/dbraw/zinc/51/87/44/570518744.db2.gz XVHBTBVOYCQZPU-HNNXBMFYSA-N 0 0 354.475 3.618 50 30 FHEARN C=C1CN(C(C)=O)C[C@H]1CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000002510354 570523157 /nfs/dbraw/zinc/52/31/57/570523157.db2.gz CFZPILZXWJKGJJ-MRVPVSSYSA-N 0 0 357.216 3.879 50 30 FHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)cc1 ZINC000002776329 570532322 /nfs/dbraw/zinc/53/23/22/570532322.db2.gz SSMZOAGTGRHGMJ-LJQANCHMSA-N 0 0 369.461 3.949 50 30 FHEARN N#Cc1ccc(CN2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1 ZINC000023437509 570539724 /nfs/dbraw/zinc/53/97/24/570539724.db2.gz GIYRAZTYRBKGMM-UHFFFAOYSA-N 0 0 355.441 3.669 50 30 FHEARN N#Cc1ccc(N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc1 ZINC000024031819 570548469 /nfs/dbraw/zinc/54/84/69/570548469.db2.gz KUVZUMKTYNLFDG-UHFFFAOYSA-N 0 0 374.366 3.827 50 30 FHEARN CC[C@@H]1S/C(=N/N=C/c2ccccc2OC)N(Cc2ccccc2)C1=O ZINC000004899131 570556175 /nfs/dbraw/zinc/55/61/75/570556175.db2.gz WWBJYSXXPCKNMT-VZZUUUIUSA-N 0 0 367.474 3.939 50 30 FHEARN NC(CSc1ccccn1)=[NH+][N-]c1ncc(C(F)(F)F)cc1Cl ZINC000004052268 570573918 /nfs/dbraw/zinc/57/39/18/570573918.db2.gz SBJHWWNMKYSGPM-UHFFFAOYSA-N 0 0 361.780 3.625 50 30 FHEARN Cc1cc(C)n(-c2ccc(C(=O)N(C)c3cc(Cl)ccc3C#N)cn2)n1 ZINC000176426856 570594730 /nfs/dbraw/zinc/59/47/30/570594730.db2.gz DQESXGUIGANPAE-UHFFFAOYSA-N 0 0 365.824 3.686 50 30 FHEARN C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCC(Cc2ncc[nH]2)CC1 ZINC000329198400 570610814 /nfs/dbraw/zinc/61/08/14/570610814.db2.gz VPKKLPXHMDCBPE-OAHLLOKOSA-N 0 0 360.502 3.506 50 30 FHEARN N#Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000024154054 570612682 /nfs/dbraw/zinc/61/26/82/570612682.db2.gz KDAMBQNIDDPAFP-INIZCTEOSA-N 0 0 351.362 3.579 50 30 FHEARN CCCC(=NNS(=O)(=O)c1ccc(OC)cc1)c1ccc(Cl)s1 ZINC000252591613 570624028 /nfs/dbraw/zinc/62/40/28/570624028.db2.gz BBIKWMSBTOHGID-UHFFFAOYSA-N 0 0 372.899 3.893 50 30 FHEARN Cc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccccc3O)CC2=Nc2ncnn21 ZINC000005203481 570633113 /nfs/dbraw/zinc/63/31/13/570633113.db2.gz ZWGVPVOHXHALJI-SPLOXXLWSA-N 0 0 372.428 3.708 50 30 FHEARN CC(C)[C@@H](NC(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCCCO2 ZINC000005453082 570658095 /nfs/dbraw/zinc/65/80/95/570658095.db2.gz PMAXICFZZUGSLA-HXUWFJFHSA-N 0 0 350.418 3.847 50 30 FHEARN C[C@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(Br)cc1 ZINC000005559403 570672977 /nfs/dbraw/zinc/67/29/77/570672977.db2.gz 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/nfs/dbraw/zinc/76/06/66/570760666.db2.gz IEOVYOCTZVYODJ-UHFFFAOYSA-N 0 0 352.221 3.711 50 30 FHEARN Cc1ccc(C([O-])=C2C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccccc2)o1 ZINC000013003406 570772152 /nfs/dbraw/zinc/77/21/52/570772152.db2.gz KJMIQYAJIUANBL-KRWDZBQOSA-N 0 0 364.357 3.667 50 30 FHEARN COC(=O)c1nn(-c2ccccc2)c(Sc2ccccc2)c1/C=N/O ZINC000013143112 570774702 /nfs/dbraw/zinc/77/47/02/570774702.db2.gz WLVSPXRZTCKCPO-XDHOZWIPSA-N 0 0 353.403 3.618 50 30 FHEARN COc1ccc2[nH]cc(/C=C3/S/C(=N\c4nccs4)N(C)C3=O)c2c1 ZINC000013689610 570785014 /nfs/dbraw/zinc/78/50/14/570785014.db2.gz NXVSCZLSZUVHEA-QCMJLRSOSA-N 0 0 370.459 3.867 50 30 FHEARN C=CCOc1c(Br)c(Br)c(/C=N/O)cc1OC ZINC000013915456 570796367 /nfs/dbraw/zinc/79/63/67/570796367.db2.gz MALQXILSRXSHBP-MKMNVTDBSA-N 0 0 365.021 3.593 50 30 FHEARN Cc1ccc([C@H]2NC(=O)C(O)=C2C(=O)c2ccc(Br)cc2)cc1 ZINC000018090181 570806878 /nfs/dbraw/zinc/80/68/78/570806878.db2.gz ITKZKPWOBLYASJ-OAHLLOKOSA-N 0 0 372.218 3.623 50 30 FHEARN C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)NC1(C#N)CCCCC1 ZINC000014138813 570808078 /nfs/dbraw/zinc/80/80/78/570808078.db2.gz LXCWTVDMXFLBJA-GFCCVEGCSA-N 0 0 374.441 3.699 50 30 FHEARN CC/N=C1\S[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)CC(=O)N1CC ZINC000018155103 570813384 /nfs/dbraw/zinc/81/33/84/570813384.db2.gz OFCBPLWNYGMSQV-ZNZSVTJWSA-N 0 0 374.293 3.662 50 30 FHEARN C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccccc1 ZINC000101226872 570817705 /nfs/dbraw/zinc/81/77/05/570817705.db2.gz UPLQQLKUNUXJAM-XGIGFIBQSA-N 0 0 365.458 3.833 50 30 FHEARN CC/N=C1\S/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C(=O)N1CC ZINC000015013318 570829297 /nfs/dbraw/zinc/82/92/97/570829297.db2.gz RHJGSCJXSISQBL-HOOMGSECSA-N 0 0 368.506 3.855 50 30 FHEARN COc1ccc(Br)cc1/C=N\N1CCN(c2ccccc2)CC1 ZINC000015685148 570843140 /nfs/dbraw/zinc/84/31/40/570843140.db2.gz JZTOUHZXNILKLB-ZHZULCJRSA-N 0 0 374.282 3.614 50 30 FHEARN CCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000103791903 570852634 /nfs/dbraw/zinc/85/26/34/570852634.db2.gz 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COc1ccc(/C(C)=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000020191621 570913285 /nfs/dbraw/zinc/91/32/85/570913285.db2.gz JXNXMJAMKXYMMK-CJLVFECKSA-N 0 0 357.885 3.890 50 30 FHEARN N#Cc1ccc(NC(=O)NCc2ccc(OCc3cccnc3)cc2)cc1 ZINC000045956171 570916424 /nfs/dbraw/zinc/91/64/24/570916424.db2.gz ZRHNERFDRBVXKC-UHFFFAOYSA-N 0 0 358.401 3.854 50 30 FHEARN CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000020617823 570922088 /nfs/dbraw/zinc/92/20/88/570922088.db2.gz DXGZYZDWUUISQU-SFHVURJKSA-N 0 0 351.402 3.684 50 30 FHEARN CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1 ZINC000020617825 570922312 /nfs/dbraw/zinc/92/23/12/570922312.db2.gz DXGZYZDWUUISQU-GOSISDBHSA-N 0 0 351.402 3.684 50 30 FHEARN Cc1ccccc1NC(=NC(=O)c1ccc(F)cc1)NCc1ccccn1 ZINC000046125325 570926654 /nfs/dbraw/zinc/92/66/54/570926654.db2.gz PRTLEOLFIJZCQG-UHFFFAOYSA-N 0 0 362.408 3.927 50 30 FHEARN CCOc1ccc(NC(=NC(=O)c2ccccc2)NCc2ccccn2)cc1 ZINC000046125233 570926677 /nfs/dbraw/zinc/92/66/77/570926677.db2.gz 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ZINC000021687851 570932893 /nfs/dbraw/zinc/93/28/93/570932893.db2.gz RKNJHAZEZNFOJG-INIZCTEOSA-N 0 0 368.458 3.657 50 30 FHEARN Cc1ccc(C)c([C@H]2C3C(=O)CCCC3=Nc3nc(C(F)(F)F)nn32)c1 ZINC000005244205 570942864 /nfs/dbraw/zinc/94/28/64/570942864.db2.gz PJOBYKGQRBCXOA-HNNXBMFYSA-N 0 0 362.355 3.936 50 30 FHEARN C[C@H]1CC(=O)C2C(=Nc3nc(C(F)(F)F)nn3[C@H]2c2ccc(F)cc2)C1 ZINC000022608141 570947406 /nfs/dbraw/zinc/94/74/06/570947406.db2.gz MCBZHYOYHUADHG-CLAHSXSESA-N 0 0 366.318 3.704 50 30 FHEARN C=CCN1C(=O)/C(=C2\c3ccccc3N(CCCC)C2=O)SC1=S ZINC000002672912 570967538 /nfs/dbraw/zinc/96/75/38/570967538.db2.gz GYYBGWKJEZITJO-PFONDFGASA-N 0 0 358.488 3.591 50 30 FHEARN O=C1c2ccccc2C/C1=C\c1cc2ccccc2nc1N1CCOCC1 ZINC000023776651 570967929 /nfs/dbraw/zinc/96/79/29/570967929.db2.gz JYSPTYXZAWQHOT-OBGWFSINSA-N 0 0 356.425 3.894 50 30 FHEARN Cc1[nH]c2ccccc2c1C(=O)[C@@H](C#N)c1nnc(-c2ccccc2)n1C ZINC000066867503 571028385 /nfs/dbraw/zinc/02/83/85/571028385.db2.gz VVDRCKIGJUQCPC-MRXNPFEDSA-N 0 0 355.401 3.762 50 30 FHEARN N#Cc1cnn(C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)c1N ZINC000072273686 571031181 /nfs/dbraw/zinc/03/11/81/571031181.db2.gz LKMQHCMLGYFJTF-UHFFFAOYSA-N 0 0 372.306 3.837 50 30 FHEARN C=CCn1c2ccccc2nc1[C@H]1c2[nH]cnc2CCN1Cc1ccco1 ZINC000072427962 571053723 /nfs/dbraw/zinc/05/37/23/571053723.db2.gz FOZMAZHKBFVFDE-HXUWFJFHSA-N 0 0 359.433 3.686 50 30 FHEARN C=CCn1nc(C)c([C@@H]2c3[nH]cnc3CCN2Cc2cc(C)c(C)o2)c1C ZINC000072426109 571053771 /nfs/dbraw/zinc/05/37/71/571053771.db2.gz FZWJLZOCHSGVHT-OAQYLSRUSA-N 0 0 365.481 3.767 50 30 FHEARN C=CCn1nc(C)c([C@H]2c3[nH]cnc3CCN2Cc2sccc2C)c1C ZINC000072463832 571053884 /nfs/dbraw/zinc/05/38/84/571053884.db2.gz JYZOHPZXUGYAFZ-FQEVSTJZSA-N 0 0 367.522 3.927 50 30 FHEARN C=CCOc1c(Cl)cc(CN[C@H](CC)c2ncnn2C)cc1Cl ZINC000055225423 571058143 /nfs/dbraw/zinc/05/81/43/571058143.db2.gz IDBDBIZIKQAZSM-CQSZACIVSA-N 0 0 355.269 3.928 50 30 FHEARN C[C@H]1CC(=O)C=C(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 ZINC000033691478 571066001 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C=CCNC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(OC)c(OC)c1 ZINC000003672380 571101906 /nfs/dbraw/zinc/10/19/06/571101906.db2.gz FSDMDULTYNHURX-UHFFFAOYSA-N 0 0 374.824 3.525 50 30 FHEARN C#CCOc1ccc([C@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)cc1OC ZINC000004944159 571102428 /nfs/dbraw/zinc/10/24/28/571102428.db2.gz CYNOINIFCIZBFS-MRXNPFEDSA-N 0 0 373.412 3.571 50 30 FHEARN COCc1cc(C)nc(SCC(=O)Nc2ccc(C)cc2C)c1C#N ZINC000001443995 571104001 /nfs/dbraw/zinc/10/40/01/571104001.db2.gz QELUUHNDCGBWEJ-UHFFFAOYSA-N 0 0 355.463 3.756 50 30 FHEARN C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1ccc(C)cc1 ZINC000007720222 571104654 /nfs/dbraw/zinc/10/46/54/571104654.db2.gz ZNKCIPCDLVWOJS-UHFFFAOYSA-N 0 0 363.417 3.882 50 30 FHEARN O=C1C[C@H](c2ccccc2)CC2=Nc3ncnn3[C@@H](c3cccc(F)c3)C12 ZINC000009332302 571105242 /nfs/dbraw/zinc/10/52/42/571105242.db2.gz CVCOYXOHPRKTMB-QRWLVFNGSA-N 0 0 360.392 3.833 50 30 FHEARN COc1ccc2c(c1)c(/C=C1/Oc3cc(OCC#N)ccc3C1=O)cn2C ZINC000009422678 571108620 /nfs/dbraw/zinc/10/86/20/571108620.db2.gz 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/nfs/dbraw/zinc/12/39/24/571123924.db2.gz MEXXXJRZXNUDMZ-HXUWFJFHSA-N 0 0 355.821 3.723 50 30 FHEARN Cc1sc(NC(=O)c2cccc(S(=O)(=O)C(C)C)c2)c(C#N)c1C ZINC000010253495 571124319 /nfs/dbraw/zinc/12/43/19/571124319.db2.gz DTGLJJLXEGKYOR-UHFFFAOYSA-N 0 0 362.476 3.671 50 30 FHEARN C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1cccs1 ZINC000002265370 571124672 /nfs/dbraw/zinc/12/46/72/571124672.db2.gz UEWCKGKRVKIHNI-UHFFFAOYSA-N 0 0 373.459 3.579 50 30 FHEARN C=CCn1c(Cc2csc(NC(=O)c3ccc(C)cc3)n2)n[nH]c1=S ZINC000012823860 571125014 /nfs/dbraw/zinc/12/50/14/571125014.db2.gz MMMWDOAOIYJTBX-UHFFFAOYSA-N 0 0 371.491 3.735 50 30 FHEARN Cc1ccc(-c2nc(NC(=O)C3=NO[C@H](c4ccccc4)C3)n[nH]2)s1 ZINC000058228368 571129914 /nfs/dbraw/zinc/12/99/14/571129914.db2.gz GHPFVNSLLPQZRO-ZDUSSCGKSA-N 0 0 353.407 3.947 50 30 FHEARN CC(C)(C#N)C(=O)N1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000058299709 571130646 /nfs/dbraw/zinc/13/06/46/571130646.db2.gz SGUMCLDMFIVMMQ-UHFFFAOYSA-N 0 0 358.392 3.611 50 30 FHEARN C[C@@H](NC(=O)CSc1nc2c(cc1C#N)CCCC2)c1ccccc1 ZINC000015834502 571133106 /nfs/dbraw/zinc/13/31/06/571133106.db2.gz XOOFWYNHRGFXOB-CQSZACIVSA-N 0 0 351.475 3.802 50 30 FHEARN N#Cc1cc2c(nc1S[C@H](C(=O)NC1CC1)c1ccccc1)CCCC2 ZINC000078283106 571141116 /nfs/dbraw/zinc/14/11/16/571141116.db2.gz ILLLHEINQYOOEW-IBGZPJMESA-N 0 0 363.486 3.944 50 30 FHEARN N#CC1=NN(c2ccc(Br)cc2)[C@@H](c2ccccc2)CC1=O ZINC000000990229 571141444 /nfs/dbraw/zinc/14/14/44/571141444.db2.gz SJNNTHXALOBPHS-MRXNPFEDSA-N 0 0 354.207 3.849 50 30 FHEARN C=CCN1c2ccccc2[C@@]2(CC(=O)Nc3c2cnn3-c2ccccc2)C1=O ZINC000020715610 571141669 /nfs/dbraw/zinc/14/16/69/571141669.db2.gz AITUHZWFJBTFAG-JOCHJYFZSA-N 0 0 370.412 3.683 50 30 FHEARN CCOC(=O)COc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000001043481 571144404 /nfs/dbraw/zinc/14/44/04/571144404.db2.gz WQZPBBRRHCPGPQ-UHFFFAOYSA-N 0 0 356.325 3.642 50 30 FHEARN COc1ccc(-c2csc3ncn(C[C@@H](C#N)CCC#N)c(=O)c23)cc1 ZINC000012922000 571145297 /nfs/dbraw/zinc/14/52/97/571145297.db2.gz PPFXOQINJWHNHN-CYBMUJFWSA-N 0 0 364.430 3.577 50 30 FHEARN O=C(Nc1cccc(C#Cc2cccs2)c1)[C@H]1COc2ccccc2O1 ZINC000024973644 571148268 /nfs/dbraw/zinc/14/82/68/571148268.db2.gz CKTIOSSPEYQYLN-HXUWFJFHSA-N 0 0 361.422 3.926 50 30 FHEARN COc1cc(C#N)ccc1OC(=O)CCCOc1ccc(C(C)=O)cc1 ZINC000015988466 571148592 /nfs/dbraw/zinc/14/85/92/571148592.db2.gz RZPWJWCCCFAKAE-UHFFFAOYSA-N 0 0 353.374 3.534 50 30 FHEARN C=CCOc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1OC ZINC000026770670 571149295 /nfs/dbraw/zinc/14/92/95/571149295.db2.gz VHKZNVNIWHRYEO-GHRIWEEISA-N 0 0 358.463 3.716 50 30 FHEARN C#Cc1cccc(NC(=O)c2cc(OC)c(Br)c(OC)c2)c1 ZINC000012940158 571152155 /nfs/dbraw/zinc/15/21/55/571152155.db2.gz MGIUIYWPRXXXHQ-UHFFFAOYSA-N 0 0 360.207 3.700 50 30 FHEARN N#Cc1cccc(SCC(=O)NCCc2ccc(OC(F)F)cc2)c1 ZINC000075107692 571155508 /nfs/dbraw/zinc/15/55/08/571155508.db2.gz RDTQNWPYSFRMRI-UHFFFAOYSA-N 0 0 362.401 3.611 50 30 FHEARN CN=C(Nc1ccc(Cl)cc1)c1ccc(S(C)(=O)=O)cc1Cl ZINC000004682818 571160022 /nfs/dbraw/zinc/16/00/22/571160022.db2.gz MZFLBIHYFBWYPC-UHFFFAOYSA-N 0 0 357.262 3.695 50 30 FHEARN N#Cc1c(N)nc2c(c1-c1ccc([C@@H]3CCCCO3)o1)N1CCC2CC1 ZINC000102180083 571166489 /nfs/dbraw/zinc/16/64/89/571166489.db2.gz ZCJWKBSINCUPPV-AWEZNQCLSA-N 0 0 350.422 3.734 50 30 FHEARN CCn1ncc(/C=C\C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1C ZINC000034848482 571168180 /nfs/dbraw/zinc/16/81/80/571168180.db2.gz RAJBCCDMXPHRLO-XYLWRLHESA-N 0 0 354.479 3.921 50 30 FHEARN CCn1ncc(/C=C\C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1C ZINC000034848483 571168192 /nfs/dbraw/zinc/16/81/92/571168192.db2.gz RAJBCCDMXPHRLO-VFFGBVLKSA-N 0 0 354.479 3.921 50 30 FHEARN CC[C@]1(C)Cc2ccccc2/C(=N\c2c(C)n(C)n(-c3ccccc3)c2=O)N1 ZINC000001212310 571168430 /nfs/dbraw/zinc/16/84/30/571168430.db2.gz HIIJOKALACZHSK-HSZRJFAPSA-N 0 0 374.488 3.877 50 30 FHEARN C=CCN1c2ccccc2[C@](O)([C@H](C)C(=O)c2ccc(Cl)cc2)C1=O ZINC000004724218 571168931 /nfs/dbraw/zinc/16/89/31/571168931.db2.gz USZLSODSBDZSBN-ZUOKHONESA-N 0 0 355.821 3.579 50 30 FHEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C1CCCC1)C1CCCC1 ZINC000063442714 571170247 /nfs/dbraw/zinc/17/02/47/571170247.db2.gz ZJIJFVSTHHFPRK-UHFFFAOYSA-N 0 0 355.482 3.510 50 30 FHEARN C=CCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(-c2cccc(OC)c2)cc1 ZINC000012477565 571172800 /nfs/dbraw/zinc/17/28/00/571172800.db2.gz BKUBASVYHFFKMH-HXUWFJFHSA-N 0 0 364.445 3.868 50 30 FHEARN Cc1cc(N[C@H](C)C(=O)Nc2sccc2C#N)ccc1N1CCCC1 ZINC000012507653 571173167 /nfs/dbraw/zinc/17/31/67/571173167.db2.gz FCELBWOLGLWVNN-CQSZACIVSA-N 0 0 354.479 3.968 50 30 FHEARN COc1ccc(C(=O)c2c(C)c(CCC#N)n3ccccc23)cc1[N+](=O)[O-] ZINC000003236227 571177041 /nfs/dbraw/zinc/17/70/41/571177041.db2.gz OZWCECHYEBBFHD-UHFFFAOYSA-N 0 0 363.373 3.852 50 30 FHEARN COc1cc(OC)c(-c2c(C#N)c(N)nc3c2N2CCC3CC2)cc1Cl ZINC000102854247 571179596 /nfs/dbraw/zinc/17/95/96/571179596.db2.gz KAKHXERLUARVCH-UHFFFAOYSA-N 0 0 370.840 3.570 50 30 FHEARN CC(C)n1ncc2cc(NC(=O)c3ccccc3SCC#N)cnc21 ZINC000012977726 571180040 /nfs/dbraw/zinc/18/00/40/571180040.db2.gz 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571206651 /nfs/dbraw/zinc/20/66/51/571206651.db2.gz QZRDOYQHQSPRQX-MRXNPFEDSA-N 0 0 374.444 3.622 50 30 FHEARN N#Cc1cc(S(=O)(=O)c2cnc3cc(F)ccc3c2Cl)ccc1F ZINC000232314118 571209488 /nfs/dbraw/zinc/20/94/88/571209488.db2.gz OTKGPHGCERYPJO-UHFFFAOYSA-N 0 0 364.760 3.871 50 30 FHEARN C=CCNC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1ccc(F)cc1 ZINC000033287825 571230058 /nfs/dbraw/zinc/23/00/58/571230058.db2.gz DJNSDYLXKKFRNA-UHFFFAOYSA-N 0 0 351.381 3.784 50 30 FHEARN N#Cc1c(NC(=S)NC(=O)C=Cc2ccc(F)cc2)sc2c1CCC2 ZINC000033336000 571235885 /nfs/dbraw/zinc/23/58/85/571235885.db2.gz PSTRRIHEBZOKPK-TWGQIWQCSA-N 0 0 371.462 3.774 50 30 FHEARN C=CCSc1ncc(Cl)c(C(=O)Nc2nnc(SCC)s2)n1 ZINC000006748096 571244674 /nfs/dbraw/zinc/24/46/74/571244674.db2.gz SDNCBLJUKFIGOY-UHFFFAOYSA-N 0 0 373.916 3.624 50 30 FHEARN CCCn1c2ccc(-c3noc(-c4ccc(C#N)cc4)n3)cc2nc(C)c1=O ZINC000064890414 571245740 /nfs/dbraw/zinc/24/57/40/571245740.db2.gz LIPBDPAKGAXQBZ-UHFFFAOYSA-N 0 0 371.400 3.704 50 30 FHEARN C=CCn1c(=S)n(CN2CCc3ccccc3C2)nc1-c1cccnc1 ZINC000006985894 571256435 /nfs/dbraw/zinc/25/64/35/571256435.db2.gz QZNVEVJDKLVVRZ-UHFFFAOYSA-N 0 0 363.490 3.678 50 30 FHEARN CC(C)Cn1nc(CNC(=O)c2ccc(C#N)cc2F)c2ccccc21 ZINC000065219917 571256897 /nfs/dbraw/zinc/25/68/97/571256897.db2.gz GRFGARATHOGWDP-UHFFFAOYSA-N 0 0 350.397 3.633 50 30 FHEARN CC#CCCCC(=O)Nc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000170597105 571266673 /nfs/dbraw/zinc/26/66/73/571266673.db2.gz XKCRATUNTNCFLB-UHFFFAOYSA-N 0 0 350.422 3.535 50 30 FHEARN N#Cc1ccc(N2CCC[C@@H](Sc3ccc([N+](=O)[O-])cc3F)C2=O)cc1 ZINC000170610387 571267519 /nfs/dbraw/zinc/26/75/19/571267519.db2.gz GOGHCVDIQYXUNR-QGZVFWFLSA-N 0 0 371.393 3.893 50 30 FHEARN C=CCn1c(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)nnc1C1CC1 ZINC000009883555 571269752 /nfs/dbraw/zinc/26/97/52/571269752.db2.gz GADGNIOCEVVQOQ-SNVBAGLBSA-N 0 0 363.874 3.509 50 30 FHEARN CCOC(=O)CC(=O)CSc1nc(-c2ccc(F)cc2)c(C)cc1C#N ZINC000002118142 571277925 /nfs/dbraw/zinc/27/79/25/571277925.db2.gz 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ZINC000007702249 571286051 /nfs/dbraw/zinc/28/60/51/571286051.db2.gz SSHNDDRYGZNICW-SFHVURJKSA-N 0 0 354.456 3.688 50 30 FHEARN COc1ccc(Br)cc1C=Nc1ccc2c(c1)nc(CO)n2C ZINC000252619868 571287295 /nfs/dbraw/zinc/28/72/95/571287295.db2.gz LTIDMUFKWVECPI-UHFFFAOYSA-N 0 0 374.238 3.587 50 30 FHEARN N#Cc1c(N=CC2C(=O)OC3(CCCCC3)OC2=O)sc2c1CCCC2 ZINC000002210322 571287856 /nfs/dbraw/zinc/28/78/56/571287856.db2.gz DNXGLXOWJYWITB-UHFFFAOYSA-N 0 0 372.446 3.555 50 30 FHEARN NC(=S)NN=Cc1cc(Cl)ccc1OCc1cccc(Cl)c1 ZINC000252624814 571288864 /nfs/dbraw/zinc/28/88/64/571288864.db2.gz PVRZIJHIKMTSQL-UHFFFAOYSA-N 0 0 354.262 3.740 50 30 FHEARN C=CCN1C(=O)C(=Cc2ccc3c(c2)CCN3CCCC)C(=O)NC1=S ZINC000002383070 571320970 /nfs/dbraw/zinc/32/09/70/571320970.db2.gz NDBSGLLGTLURPX-DTQAZKPQSA-N 0 0 369.490 3.502 50 30 FHEARN N#Cc1ccccc1-c1ccc([C@H]2CC(=O)NCc3nc4sccn4c32)o1 ZINC000065405795 571321105 /nfs/dbraw/zinc/32/11/05/571321105.db2.gz FJYXPPKEFFILAO-CQSZACIVSA-N 0 0 374.425 3.679 50 30 FHEARN COc1cc(-c2cc([C@@H]3CCOC(C)(C)C3)c(C#N)c(N)n2)ccc1O ZINC000067834340 571321849 /nfs/dbraw/zinc/32/18/49/571321849.db2.gz OAOMVNDZUKSYQR-CYBMUJFWSA-N 0 0 353.422 3.589 50 30 FHEARN CN(C)c1nc(Cl)c(-c2cc(-c3ccc(O)cc3)nc(N)c2C#N)s1 ZINC000067674868 571321872 /nfs/dbraw/zinc/32/18/72/571321872.db2.gz MEYWNVDPNUXISC-UHFFFAOYSA-N 0 0 371.853 3.751 50 30 FHEARN Cc1cc(C)n2ncc(-c3c(C)c(-c4ccccc4)nc(N)c3C#N)c2n1 ZINC000067855812 571321910 /nfs/dbraw/zinc/32/19/10/571321910.db2.gz DYTCHNQJWOJDIB-UHFFFAOYSA-N 0 0 354.417 3.837 50 30 FHEARN N#Cc1cc([N+](=O)[O-])ccc1N[C@@H](CO)c1c(Cl)cccc1Cl ZINC000225462897 571321972 /nfs/dbraw/zinc/32/19/72/571321972.db2.gz RERURQIZUWGNPM-AWEZNQCLSA-N 0 0 352.177 3.919 50 30 FHEARN CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ncccc2C#N)cc1 ZINC000426411552 571322052 /nfs/dbraw/zinc/32/20/52/571322052.db2.gz UFLNMBZJDBGNRC-LJQANCHMSA-N 0 0 373.460 3.661 50 30 FHEARN C=CCNC(=O)C1(c2ccc(NC(=O)c3ccccc3OC)cc2)CCC1 ZINC000013350776 571323212 /nfs/dbraw/zinc/32/32/12/571323212.db2.gz BQYAVNYAUWAJAU-UHFFFAOYSA-N 0 0 364.445 3.671 50 30 FHEARN O=C(CNC(=O)c1c2c(nc3ccccc31)CCC2)NC1CCCCC1 ZINC000329432782 571327261 /nfs/dbraw/zinc/32/72/61/571327261.db2.gz ITRJJKQNNKUKAZ-UHFFFAOYSA-N 0 0 351.450 3.743 50 30 FHEARN CCOc1cc2c(C#N)c(OCC)nc3c2c(n1)NC1(CCCCC1)N3 ZINC000019791575 571327278 /nfs/dbraw/zinc/32/72/78/571327278.db2.gz FKFIKIGBBQIYJP-UHFFFAOYSA-N 0 0 353.426 3.797 50 30 FHEARN C#CCN1C(=O)S/C(=C\c2ccc(OCC(C)C)c(OCC)c2)C1=O ZINC000015011134 571327854 /nfs/dbraw/zinc/32/78/54/571327854.db2.gz SLBWPSVSNBTHRA-BOPFTXTBSA-N 0 0 359.447 3.790 50 30 FHEARN COc1ccc(-c2c3c(C)nn(-c4ccccc4)c3nc(N)c2C#N)cc1 ZINC000020403680 571329256 /nfs/dbraw/zinc/32/92/56/571329256.db2.gz FRJXPWPBVAWXKI-UHFFFAOYSA-N 0 0 355.401 3.858 50 30 FHEARN CC(C)(C)OC(=O)N[C@@]1(C)CCCC[C@@H]1C(=O)NCC#Cc1ccccc1 ZINC000095451633 571329852 /nfs/dbraw/zinc/32/98/52/571329852.db2.gz OQYNGXWQNYRALP-GCJKJVERSA-N 0 0 370.493 3.628 50 30 FHEARN N#Cc1c2c(sc1NC(=O)c1ccc(Cn3cc(Cl)cn3)o1)CCC2 ZINC000020608236 571331549 /nfs/dbraw/zinc/33/15/49/571331549.db2.gz YGWSHASMHAOBGB-UHFFFAOYSA-N 0 0 372.837 3.852 50 30 FHEARN C[C@@H](CC#N)Sc1ccccc1NC(=O)CSc1nncs1 ZINC000095953368 571332809 /nfs/dbraw/zinc/33/28/09/571332809.db2.gz UDTQOUABZUYLGQ-JTQLQIEISA-N 0 0 350.494 3.663 50 30 FHEARN C#CCOc1cc(F)ccc1NC(=O)c1ccc(-n2nc(C)cc2C)cc1 ZINC000095961239 571333033 /nfs/dbraw/zinc/33/30/33/571333033.db2.gz GTWLHLWUABNKNH-UHFFFAOYSA-N 0 0 363.392 3.893 50 30 FHEARN CC1=CC(=O)C(C2CCCCC2)=C/C1=N\OS(=O)(=O)c1ccccc1 ZINC000096024633 571334015 /nfs/dbraw/zinc/33/40/15/571334015.db2.gz RSMZOLWJZGIWOV-CZIZESTLSA-N 0 0 359.447 3.784 50 30 in-vitro FHEARN COC(=O)c1ccc(/C=C2/CCC/C(=C/c3ccc(C(=O)OC)o3)C2=O)o1 ZINC000096188176 571334846 /nfs/dbraw/zinc/33/48/46/571334846.db2.gz JYAYOMFSUSSGAP-MIMPSMLTSA-N 0 0 370.357 3.666 50 30 FHEARN N#Cc1ccc(Cl)cc1NC(=O)c1cccnc1O[C@@H]1CCSC1 ZINC000225726401 571338035 /nfs/dbraw/zinc/33/80/35/571338035.db2.gz BPLWEBGKAZAKOT-CYBMUJFWSA-N 0 0 359.838 3.743 50 30 FHEARN N#CCn1c(CSc2nc3ccccc3s2)nc2ccccc2c1=O ZINC000002627806 571339508 /nfs/dbraw/zinc/33/95/08/571339508.db2.gz KFRGCXDNGBVUAQ-UHFFFAOYSA-N 0 0 364.455 3.822 50 30 FHEARN CC(=O)C1=C2C[C@@H](c3ccccc3)N(Cc3ccccc3)C[C@@]2(C)OC1=O ZINC000230210125 571344719 /nfs/dbraw/zinc/34/47/19/571344719.db2.gz PABCIRHVJYRDQO-NZQKXSOJSA-N 0 0 361.441 3.835 50 30 FHEARN CCN(C(=O)COC(=O)c1ccc(C#N)cc1)c1cccc2ccccc21 ZINC000003216289 571345558 /nfs/dbraw/zinc/34/55/58/571345558.db2.gz DYDFXGZZRITVKC-UHFFFAOYSA-N 0 0 358.397 3.921 50 30 FHEARN COc1ccc(-c2c(C#N)c3sc4ccccc4n3c(=O)c2C#N)cc1 ZINC000003243439 571346001 /nfs/dbraw/zinc/34/60/01/571346001.db2.gz KBDKTXGLBAHVEG-UHFFFAOYSA-N 0 0 357.394 3.933 50 30 FHEARN N#Cc1ccc(NC(=O)COC(=O)CCSc2ccccc2Cl)cc1 ZINC000003284637 571346689 /nfs/dbraw/zinc/34/66/89/571346689.db2.gz DRNPWCLYNRBHOJ-UHFFFAOYSA-N 0 0 374.849 3.876 50 30 FHEARN COc1ccc(Br)cc1CN(C)C(=O)c1ccc(C#N)cc1 ZINC000003334393 571347650 /nfs/dbraw/zinc/34/76/50/571347650.db2.gz FJQRVHVQLMHFKJ-UHFFFAOYSA-N 0 0 359.223 3.602 50 30 FHEARN N#Cc1cccc(NC(=O)COc2ccc(NC(=O)c3ccccc3)cc2)c1 ZINC000003354757 571348218 /nfs/dbraw/zinc/34/82/18/571348218.db2.gz JGYNMNJPMMFJJR-UHFFFAOYSA-N 0 0 371.396 3.828 50 30 FHEARN Cc1ccc(SCCC(=O)OCC(=O)Nc2ccc(C#N)cc2)cc1 ZINC000003362158 571348348 /nfs/dbraw/zinc/34/83/48/571348348.db2.gz JFNBPWLWKZXKJL-UHFFFAOYSA-N 0 0 354.431 3.531 50 30 FHEARN CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CCN(C)C3)c(O)c1 ZINC000004045768 571354461 /nfs/dbraw/zinc/35/44/61/571354461.db2.gz ASYAEDJERVGEER-WSDLNYQXSA-N 0 0 368.506 3.910 50 30 FHEARN CCc1cc(=O)oc2c3c(cc(OCC(=O)NC4CC4)c12)OC(C)(C)CC3 ZINC000004089844 571355094 /nfs/dbraw/zinc/35/50/94/571355094.db2.gz ZYUDDSCUGFXAKK-UHFFFAOYSA-N 0 0 371.433 3.957 50 30 biogenic FHEARN C=CCn1c2sc(C)c(CC)c2c2nc(Cc3ccccc3)nn2c1=O ZINC000032074522 571355398 /nfs/dbraw/zinc/35/53/98/571355398.db2.gz BUUVMCQHGMNJGD-UHFFFAOYSA-N 0 0 364.474 3.753 50 30 FHEARN C[C@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)C3(C#N)CCC3)cc2[N+](=O)[O-])C1 ZINC000066336785 571358318 /nfs/dbraw/zinc/35/83/18/571358318.db2.gz DDMITVAQPIYTRU-GJZGRUSLSA-N 0 0 370.453 3.595 50 30 FHEARN N#CC1(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)CCCC1 ZINC000008157135 571359589 /nfs/dbraw/zinc/35/95/89/571359589.db2.gz LZZHGKXVYTTWAM-FQEVSTJZSA-N 0 0 365.502 3.648 50 30 FHEARN N#Cc1ccccc1-c1ccccc1C(=O)NCc1cn2ccccc2n1 ZINC000008279241 571360208 /nfs/dbraw/zinc/36/02/08/571360208.db2.gz YXONNHMESXPWNP-UHFFFAOYSA-N 0 0 352.397 3.803 50 30 FHEARN COc1cc(/C=C\C(=O)OCc2ccc(C#N)cc2)cc(Cl)c1OC ZINC000097654743 928418215 /nfs/dbraw/zinc/41/82/15/928418215.db2.gz SLYFKUKANPJYAS-FPLPWBNLSA-N 0 0 357.793 3.985 50 30 FHEARN C#CCSc1nnc(NC(=O)CSc2ccc3ccccc3n2)s1 ZINC000334160541 931635158 /nfs/dbraw/zinc/63/51/58/931635158.db2.gz HBUVTUJZQVBKIH-UHFFFAOYSA-N 0 0 372.500 3.542 50 30 FHEARN CCN(CC)c1ccc(C=NNC(=S)Nc2ccc(C)cc2)c(O)c1 ZINC000252463019 938831419 /nfs/dbraw/zinc/83/14/19/938831419.db2.gz YFKJWWZHAJLYHA-UHFFFAOYSA-N 0 0 356.495 3.867 50 30 FHEARN N#Cc1cccc(CS(=O)(=O)N2CCC(c3cccc(Cl)c3)CC2)c1 ZINC000332527146 945220863 /nfs/dbraw/zinc/22/08/63/945220863.db2.gz FSLXWZHOLKXFTB-UHFFFAOYSA-N 0 0 374.893 3.921 50 30 FHEARN Cc1cnc(-c2ccccc2)n1[C@@H]1CCN(C(=O)c2cccc(C#N)c2)C1 ZINC000581807439 940608461 /nfs/dbraw/zinc/60/84/61/940608461.db2.gz JFLKKZFPDZETPF-HXUWFJFHSA-N 0 0 356.429 3.817 50 30 FHEARN Cc1cc2cc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)oc2cc1C ZINC000173466663 942026683 /nfs/dbraw/zinc/02/66/83/942026683.db2.gz AJDKXGXYUIWZGG-FQEVSTJZSA-N 0 0 373.456 3.900 50 30 FHEARN C[C@H](NC(=O)[C@@H]1CCC(=O)c2ccccc21)C(=O)N1Cc2ccccc2C1 ZINC000328899378 942198511 /nfs/dbraw/zinc/19/85/11/942198511.db2.gz XHUMVPLMHFYHGW-IFXJQAMLSA-N 0 0 362.429 3.634 50 30 FHEARN N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCCCO2 ZINC000329776946 944244671 /nfs/dbraw/zinc/24/46/71/944244671.db2.gz OOCIQCRINPZEIG-RBUKOAKNSA-N 0 0 362.429 3.760 50 30 FHEARN CC[C@H](C)n1ncc(NC(=O)N2CCCN3c4ccccc4C[C@H]3C2)c1C ZINC000329816480 944291035 /nfs/dbraw/zinc/29/10/35/944291035.db2.gz FLEHMNIFRGUWJS-YJBOKZPZSA-N 0 0 367.497 3.845 50 30 FHEARN Cn1cc([C@@H]2CCCN2C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)cn1 ZINC000330103291 944328302 /nfs/dbraw/zinc/32/83/02/944328302.db2.gz GEPBLSDLSSTBPF-SJORKVTESA-N 0 0 372.444 3.913 50 30 FHEARN Cn1nc(CCNC(=O)N2CCc3cc(Cl)ccc3C2)c2ccccc21 ZINC000330041769 944330262 /nfs/dbraw/zinc/33/02/62/944330262.db2.gz GHONIACXOGCEMU-UHFFFAOYSA-N 0 0 368.868 3.742 50 30 FHEARN N#Cc1c(NC(=S)NC(=O)C=Cc2ccco2)sc2c1CCCC2 ZINC000000711411 210263892 /nfs/dbraw/zinc/26/38/92/210263892.db2.gz SQEORZWQOMUTJT-BQYQJAHWSA-N 0 0 357.460 3.618 50 30 FHEARN CN(C)c1ccc(/C=N/c2nnc(-c3ccc4c(c3)OCO4)s2)cc1 ZINC000000712138 210263763 /nfs/dbraw/zinc/26/37/63/210263763.db2.gz FJOLYGUXRNNOSH-VXLYETTFSA-N 0 0 352.419 3.750 50 30 FHEARN N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)Cc1ccccc1Cl ZINC000170623823 222607500 /nfs/dbraw/zinc/60/75/00/222607500.db2.gz LPKNVZDLIQPBNR-UHFFFAOYSA-N 0 0 358.806 3.841 50 30 FHEARN COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O ZINC000006850678 210231927 /nfs/dbraw/zinc/23/19/27/210231927.db2.gz OLHXEBPZAFTYPV-MXSYYCPWSA-N 0 0 350.370 3.799 50 30 biogenic FHEARN COc1cccc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCCC3)C2=O)c1 ZINC000009530637 210231188 /nfs/dbraw/zinc/23/11/88/210231188.db2.gz MEDDYUWKQFVNNZ-UNOMPAQXSA-N 0 0 351.402 3.613 50 30 FHEARN CC1=CC(=O)C2=C(C)C[C@H](OC(=O)C3CCCCC3)[C@@H]3[C@H](OC(=O)[C@H]3C)[C@@H]12 ZINC000006950404 210231008 /nfs/dbraw/zinc/23/10/08/210231008.db2.gz FHTQYKIKZYQVQL-KSYRLKCISA-N 0 0 372.461 3.522 50 30 biogenic FHEARN Cc1csc([C@H](C)NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000078992817 210220977 /nfs/dbraw/zinc/22/09/77/210220977.db2.gz RCAANTLRYVNFGW-LBPRGKRZSA-N 0 0 367.396 3.882 50 30 FHEARN COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(C3CC3)C4)C2=O)cc1 ZINC000054333083 210206196 /nfs/dbraw/zinc/20/61/96/210206196.db2.gz LASKRHJXAIXJIF-OCKHKDLRSA-N 0 0 363.413 3.934 50 30 FHEARN Cc1ccc(N2C(=O)C[C@H](C(=O)N[C@H](C)CC#N)[C@@H]2c2cccs2)cc1 ZINC000229777328 210179981 /nfs/dbraw/zinc/17/99/81/210179981.db2.gz WERIOUVQEWNHMY-SIXWZSSISA-N 0 0 367.474 3.569 50 30 FHEARN C=CCNc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1 ZINC000035475977 210169409 /nfs/dbraw/zinc/16/94/09/210169409.db2.gz BBBZUFVAFXLIDU-UHFFFAOYSA-N 0 0 358.394 3.911 50 30 FHEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cc2ccccc2c(=O)[nH]1 ZINC000032908467 210167773 /nfs/dbraw/zinc/16/77/73/210167773.db2.gz PJQCRWWLXRWRST-UHFFFAOYSA-N 0 0 365.392 3.575 50 30 FHEARN O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc(Br)c[nH]1 ZINC000024507517 210160891 /nfs/dbraw/zinc/16/08/91/210160891.db2.gz OONVAVNVLARDRU-UHFFFAOYSA-N 0 0 371.156 3.578 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccncc1Cl ZINC000025695112 210160944 /nfs/dbraw/zinc/16/09/44/210160944.db2.gz BZNSFPDNCWWZTI-QGZVFWFLSA-N 0 0 374.868 3.902 50 30 FHEARN NC(=O)c1ccc([C@@H]2CCCN2C(=O)C#Cc2cccc3ccccc23)s1 ZINC000023581724 210159885 /nfs/dbraw/zinc/15/98/85/210159885.db2.gz HTTWXTWHDVSMRH-SFHVURJKSA-N 0 0 374.465 3.715 50 30 FHEARN C=CCOC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc21 ZINC000002199453 210151530 /nfs/dbraw/zinc/15/15/30/210151530.db2.gz SBJRNUHDYVOMFT-UHFFFAOYSA-N 0 0 372.428 3.752 50 30 FHEARN C=CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@@H]1c1cccc(F)c1 ZINC000002463592 210150542 /nfs/dbraw/zinc/15/05/42/210150542.db2.gz KZAXJGAONTXUKH-GOEBONIOSA-N 0 0 374.437 3.594 50 30 FHEARN C=CCOC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc21 ZINC000002266072 210150232 /nfs/dbraw/zinc/15/02/32/210150232.db2.gz VYXKHFAMCONHCH-UHFFFAOYSA-N 0 0 374.400 3.507 50 30 FHEARN C=CCN1c2ccccc2[C@](O)(CC(=O)c2cccc3ccccc32)C1=O ZINC000000783760 210149348 /nfs/dbraw/zinc/14/93/48/210149348.db2.gz ZFBPMQWDZPJJKO-HSZRJFAPSA-N 0 0 357.409 3.833 50 30 FHEARN C=CCN(C(=O)Nc1ccc(OC)cc1)c1nnc(-c2ccncc2)s1 ZINC000000785022 210148495 /nfs/dbraw/zinc/14/84/95/210148495.db2.gz LLCRYZWYWUOEOG-UHFFFAOYSA-N 0 0 367.434 3.833 50 30 FHEARN C#CCN1C(=O)S/C(=C/c2cc(OCC)c(OCC)cc2Cl)C1=O ZINC000000979995 210148323 /nfs/dbraw/zinc/14/83/23/210148323.db2.gz NHFUIBASJJNQPV-OQLLNIDSSA-N 0 0 365.838 3.807 50 30 FHEARN C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccccc2C)cc1 ZINC000001004131 210147959 /nfs/dbraw/zinc/14/79/59/210147959.db2.gz GPZUPCHYJZBVQV-UHFFFAOYSA-N 0 0 370.474 3.610 50 30 FHEARN C=CCN(C(=O)c1ccc2c(c1)OCCO2)c1nc2ccccc2s1 ZINC000014138917 210144256 /nfs/dbraw/zinc/14/42/56/210144256.db2.gz FONWVAWGDUIDDN-UHFFFAOYSA-N 0 0 352.415 3.900 50 30 FHEARN C=CCn1c2sc3c(c2c2nc(-c4ccccc4)nn2c1=O)CCCC3 ZINC000013693085 210143875 /nfs/dbraw/zinc/14/38/75/210143875.db2.gz JLIGAPHNOPQQEH-UHFFFAOYSA-N 0 0 362.458 3.838 50 30 FHEARN C=CCSc1ncc(Cl)c(C(=O)Nc2ccc(NC(C)=O)cc2)n1 ZINC000008916838 210137549 /nfs/dbraw/zinc/13/75/49/210137549.db2.gz FWMLKQSVOKDPSA-UHFFFAOYSA-N 0 0 362.842 3.619 50 30 FHEARN C#CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1 ZINC000006753172 210107244 /nfs/dbraw/zinc/10/72/44/210107244.db2.gz JIELYPGSGKCOJO-INIZCTEOSA-N 0 0 359.429 3.589 50 30 FHEARN O=C1c2ccccc2C(=O)N1CNc1ccccc1C#Cc1ccccc1 ZINC000004608194 210103651 /nfs/dbraw/zinc/10/36/51/210103651.db2.gz SSVSGMQGQSUSJX-UHFFFAOYSA-N 0 0 352.393 3.752 50 30 FHEARN C=CCn1c(C)nnc1S[C@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000004936507 210106424 /nfs/dbraw/zinc/10/64/24/210106424.db2.gz NLTBZZBNOLEKQJ-SNVBAGLBSA-N 0 0 361.496 3.541 50 30 FHEARN C=CCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(Cl)cc1Cl ZINC000004716232 210105814 /nfs/dbraw/zinc/10/58/14/210105814.db2.gz JNRPGRULSVJECL-CQSZACIVSA-N 0 0 365.220 3.603 50 30 FHEARN C=CCn1c(C)cc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)c1C ZINC000005253616 210105576 /nfs/dbraw/zinc/10/55/76/210105576.db2.gz CXIDKIKIABHOMD-UHFFFAOYSA-N 0 0 355.825 3.537 50 30 FHEARN C[C@H]1CCCCN1C(=O)Cn1cc(C#N)c2cc(Br)ccc21 ZINC000006369769 210088171 /nfs/dbraw/zinc/08/81/71/210088171.db2.gz HYXBTLODXBKJPM-LBPRGKRZSA-N 0 0 360.255 3.676 50 30 FHEARN CCC(CC)n1ncc(C)c1NC(=O)c1cccc(C#CC(C)(C)O)c1 ZINC000055100334 210069298 /nfs/dbraw/zinc/06/92/98/210069298.db2.gz IRTMUQAOZWHJCQ-UHFFFAOYSA-N 0 0 353.466 3.927 50 30 FHEARN C=CCOc1cccc(CN(C)C(=O)c2cccc(NC(=O)CC)c2)c1 ZINC000055252982 210068825 /nfs/dbraw/zinc/06/88/25/210068825.db2.gz PVTFCVPCOXAALD-UHFFFAOYSA-N 0 0 352.434 3.872 50 30 FHEARN C=CCOc1ccc(C(=O)N[C@@H](C)Cc2ncccc2C)cc1OCC ZINC000055073737 210068033 /nfs/dbraw/zinc/06/80/33/210068033.db2.gz GYEWUHULHKCJDJ-INIZCTEOSA-N 0 0 354.450 3.715 50 30 FHEARN C=C(C)COc1ccc([C@@H]2SCC(=O)Nc3c2cnn3C)cc1OC ZINC000049545962 210061759 /nfs/dbraw/zinc/06/17/59/210061759.db2.gz MPORNKNSPZGZJU-KRWDZBQOSA-N 0 0 359.451 3.808 50 30 FHEARN Cc1ccc(S(=O)(=O)N/N=C/C2=C(Cl)c3ccccc3CC2)cc1 ZINC000043761459 210045760 /nfs/dbraw/zinc/04/57/60/210045760.db2.gz UCIPGHNTMLIBFN-UDWIEESQSA-N 0 0 360.866 3.855 50 30 FHEARN C=CCn1c(C)nn(CN(Cc2ccc(N(C)C)cc2)C(C)C)c1=S ZINC000040155470 210044235 /nfs/dbraw/zinc/04/42/35/210044235.db2.gz UVQQNMDDOMHZDE-UHFFFAOYSA-N 0 0 359.543 3.843 50 30 FHEARN Cc1cc(C)n(CCCN(C)C(=O)c2cccc(-c3cccnc3C#N)c2)n1 ZINC000299796406 210037453 /nfs/dbraw/zinc/03/74/53/210037453.db2.gz MVEYCTVBIUIIJN-UHFFFAOYSA-N 0 0 373.460 3.596 50 30 FHEARN C=CCc1c(C(=O)OC)ccc(Br)c1OCc1ccon1 ZINC000225654818 222858138 /nfs/dbraw/zinc/85/81/38/222858138.db2.gz NSFCJDJQSDXQHI-UHFFFAOYSA-N 0 0 352.184 3.531 50 30 FHEARN C=CCN1c2ccccc2[C@](O)(CC(=O)c2c(C)c(C)cc(C)c2C)C1=O ZINC000002857962 219471658 /nfs/dbraw/zinc/47/16/58/219471658.db2.gz XRTWYXHWHCIHLR-HSZRJFAPSA-N 0 0 363.457 3.913 50 30 FHEARN COc1cc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)ccc1O ZINC000004472818 219576189 /nfs/dbraw/zinc/57/61/89/219576189.db2.gz CEYSJUACBKYCKN-OQLLNIDSSA-N 0 0 360.822 3.946 50 30 FHEARN COc1cccc(C#N)c1OCc1cccc(I)c1 ZINC000004827116 219609531 /nfs/dbraw/zinc/60/95/31/219609531.db2.gz QZGJWTNVFMJIGQ-UHFFFAOYSA-N 0 0 365.170 3.750 50 30 FHEARN CC(C)[C@H](NC(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCCCO2 ZINC000005453079 219681189 /nfs/dbraw/zinc/68/11/89/219681189.db2.gz PMAXICFZZUGSLA-FQEVSTJZSA-N 0 0 350.418 3.847 50 30 FHEARN N#Cc1cc2c(nc1SCC(=O)NC13CC4CC(CC(C4)C1)C3)CCC2 ZINC000005588965 219690333 /nfs/dbraw/zinc/69/03/33/219690333.db2.gz BBNIDKISSCQTPO-UHFFFAOYSA-N 0 0 367.518 3.619 50 30 FHEARN C[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C#N)c1 ZINC000005981206 219708304 /nfs/dbraw/zinc/70/83/04/219708304.db2.gz KGJSSJIVUJHXHQ-LLVKDONJSA-N 0 0 362.307 3.761 50 30 FHEARN CCOC(=O)C1=C(NC(=O)c2cnc(C)s2)Nc2ccccc2N=C1C ZINC000058378519 212008211 /nfs/dbraw/zinc/00/82/11/212008211.db2.gz DHBYXVNXLSQXBN-UHFFFAOYSA-N 0 0 370.434 3.749 50 30 FHEARN N#Cc1ccc(NCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000058357588 212006491 /nfs/dbraw/zinc/00/64/91/212006491.db2.gz GBBUEILQRAYFOH-KRWDZBQOSA-N 0 0 362.458 3.944 50 30 FHEARN C[C@H](NC(=S)NC1CCCCC1)[C@@H](c1cccs1)N1CCOCC1 ZINC000013878781 220098381 /nfs/dbraw/zinc/09/83/81/220098381.db2.gz NMOMXTJEULRUFE-YOEHRIQHSA-N 0 0 367.584 3.718 50 30 FHEARN CCOc1cc(C#N)ccc1OCc1nc(-c2ccccc2OC)no1 ZINC000014139420 220109953 /nfs/dbraw/zinc/10/99/53/220109953.db2.gz PJFTYADSYJZETB-UHFFFAOYSA-N 0 0 351.362 3.595 50 30 FHEARN Cc1cccc2c1NC(=O)/C2=C1/S/C(=N\c2ccc(Cl)cc2)NC1=O ZINC000015015783 220141798 /nfs/dbraw/zinc/14/17/98/220141798.db2.gz DALYBBDHSVAYCX-FYWRMAATSA-N 0 0 369.833 3.862 50 30 FHEARN CCOc1cc(C#N)ccc1OCC(=O)Oc1ccc(C(=O)CC)cc1 ZINC000016706266 220192656 /nfs/dbraw/zinc/19/26/56/220192656.db2.gz NSESRSDFVMFARD-UHFFFAOYSA-N 0 0 353.374 3.534 50 30 FHEARN O=C1C[C@H](c2ccccc2)CC2=Nc3ncnn3[C@H](c3cccc(F)c3)C12 ZINC000016995590 220199589 /nfs/dbraw/zinc/19/95/89/220199589.db2.gz CVCOYXOHPRKTMB-FOIQADDNSA-N 0 0 360.392 3.833 50 30 FHEARN O=C1C[C@@H](c2cccc(Cl)c2)CC2=Nc3ncnn3[C@@H](c3ccco3)C12 ZINC000016996472 220199802 /nfs/dbraw/zinc/19/98/02/220199802.db2.gz PQHRQKQFDLZTQA-SGTLLEGYSA-N 0 0 366.808 3.940 50 30 FHEARN COc1cc2c(cc1OC)C(=O)/C(=C\c1cc(OC)c(OC)c(OC)c1)C2 ZINC000017256029 220211740 /nfs/dbraw/zinc/21/17/40/220211740.db2.gz XGOGZOBCYBIIOZ-NSIKDUERSA-N 0 0 370.401 3.552 50 30 FHEARN S=C1N=NCN1N=Cc1ccc(COc2c(Cl)cccc2Cl)o1 ZINC000036611358 211669874 /nfs/dbraw/zinc/66/98/74/211669874.db2.gz XPTNMDIBBFVXFC-NGYBGAFCSA-N 0 0 369.233 3.928 50 30 FHEARN C=CCNC(=O)c1ccccc1NC(=O)CCOc1ccc(Cl)cc1 ZINC000040107384 211485883 /nfs/dbraw/zinc/48/58/83/211485883.db2.gz ITVKDLMZKZMUAH-UHFFFAOYSA-N 0 0 358.825 3.663 50 30 FHEARN N#CC[C@H](CNc1ncc(C(F)(F)F)cc1Cl)OC(=O)c1ccco1 ZINC000020404953 211278794 /nfs/dbraw/zinc/27/87/94/211278794.db2.gz GEQZFCBKMPMODE-SNVBAGLBSA-N 0 0 373.718 3.898 50 30 FHEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@H](c3ccc4c(c3)OCO4)[C@H]12 ZINC000019832074 211256987 /nfs/dbraw/zinc/25/69/87/211256987.db2.gz UTFDOICSYNMKMM-FPOVZHCZSA-N 0 0 371.392 3.821 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(C(F)(F)F)c1 ZINC000019811248 211256861 /nfs/dbraw/zinc/25/68/61/211256861.db2.gz UWEOANXIMPFBMC-INIZCTEOSA-N 0 0 365.351 3.846 50 30 FHEARN CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(O)c2)C2=C(CCCC2=O)N1 ZINC000019536675 211229521 /nfs/dbraw/zinc/22/95/21/211229521.db2.gz ZQHIGKGGGJXYLB-FQEVSTJZSA-N 0 0 367.445 3.846 50 30 FHEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(N(C)C)cc2)C2=C(CCCC2=O)N1 ZINC000019315046 211214317 /nfs/dbraw/zinc/21/43/17/211214317.db2.gz IBWOYFDXZPKSNH-HXUWFJFHSA-N 0 0 368.477 3.672 50 30 FHEARN CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccccc1 ZINC000019087968 211201095 /nfs/dbraw/zinc/20/10/95/211201095.db2.gz QWDKGXLQSWSZAF-FQEVSTJZSA-N 0 0 360.413 3.695 50 30 FHEARN CSc1nc2n(n1)[C@H](c1cccc(F)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000018219460 211196438 /nfs/dbraw/zinc/19/64/38/211196438.db2.gz NWPQTNIIWJJALE-OAHLLOKOSA-N 0 0 358.442 3.797 50 30 FHEARN Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ncc[nH]1)C1=C(CCCC1=O)N2 ZINC000018197025 211193990 /nfs/dbraw/zinc/19/39/90/211193990.db2.gz XCSKQFQZPJEAKX-LJQANCHMSA-N 0 0 359.433 3.777 50 30 FHEARN CCOP(=O)(OCC)[C@H](/N=C1/C(=O)Nc2ccccc21)C(F)(F)F ZINC000016688020 211166951 /nfs/dbraw/zinc/16/69/51/211166951.db2.gz JJWHCDKBXZINDL-ZDUSSCGKSA-N 0 0 364.260 3.582 50 30 FHEARN COc1ccc(OC)c(/C=C2\S/C(=N/c3ccccc3C)NC2=O)c1 ZINC000016666381 211165532 /nfs/dbraw/zinc/16/55/32/211165532.db2.gz LNDXKFSFYIHCAW-BOPFTXTBSA-N 0 0 354.431 3.904 50 30 FHEARN N#Cc1ccccc1-c1ccc(CN2C(=O)NC3(CCCCC3)C2=O)cc1 ZINC000014187293 211083139 /nfs/dbraw/zinc/08/31/39/211083139.db2.gz MUBBVOUEWUFOSR-UHFFFAOYSA-N 0 0 359.429 3.980 50 30 FHEARN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000014158413 211078121 /nfs/dbraw/zinc/07/81/21/211078121.db2.gz PJZSSDIACJOTPW-GOSISDBHSA-N 0 0 363.392 3.595 50 30 FHEARN COc1cc(NC(=O)c2cc(C3CC3)nc(SC)c2C#N)cc(OC)c1 ZINC000014086841 211071277 /nfs/dbraw/zinc/07/12/77/211071277.db2.gz FOGKIXNMSKOACX-UHFFFAOYSA-N 0 0 369.446 3.822 50 30 FHEARN CCOC(=O)c1oc2c(c1C)C(=NNc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000013756040 211057557 /nfs/dbraw/zinc/05/75/57/211057557.db2.gz RXMNXFORZCWSCL-XSFVSMFZSA-N 0 0 357.366 3.825 50 30 FHEARN CCOP(=O)(OCC)C(C#N)=NOC(=O)Nc1cccc(Cl)c1 ZINC000013756981 211058782 /nfs/dbraw/zinc/05/87/82/211058782.db2.gz AVQXGARWEFHBQS-ATVHPVEESA-N 0 0 359.706 3.992 50 30 FHEARN Cc1cc(C=C2SC(=O)NC2=O)c(C)n1-c1sc(C)c(C)c1C#N ZINC000013511564 211038285 /nfs/dbraw/zinc/03/82/85/211038285.db2.gz JEAGREDTHDLLEI-MKMNVTDBSA-N 0 0 357.460 3.968 50 30 FHEARN COc1ccc(-c2csc(C(C#N)=NNc3ccc(O)cc3)n2)cc1 ZINC000013408221 211032296 /nfs/dbraw/zinc/03/22/96/211032296.db2.gz DVEVMXXKLOVJPA-JWGURIENSA-N 0 0 350.403 3.864 50 30 FHEARN CN1C(=O)C[C@@H](C(=O)Nc2ccccc2Cl)S/C1=N\c1ccccc1 ZINC000013423928 211032428 /nfs/dbraw/zinc/03/24/28/211032428.db2.gz ZNCNTHRGFRLTLV-ZJYNUGOYSA-N 0 0 373.865 3.930 50 30 FHEARN Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NCc2ccccc2)n1 ZINC000012953912 211012520 /nfs/dbraw/zinc/01/25/20/211012520.db2.gz SICJXNQFVSKHBI-UHFFFAOYSA-N 0 0 365.380 3.689 50 30 FHEARN CCc1nc(C)c(C#N)c(S[C@H](C)C(=O)Nc2ccc(C)c(F)c2)n1 ZINC000012797053 210993666 /nfs/dbraw/zinc/99/36/66/210993666.db2.gz INLUWLFHKGZOAN-GFCCVEGCSA-N 0 0 358.442 3.786 50 30 FHEARN N#CCCn1cnc2cc(-c3ccc(Br)cc3)sc2c1=O ZINC000006589133 210681027 /nfs/dbraw/zinc/68/10/27/210681027.db2.gz SHABGJXPYWEPEM-UHFFFAOYSA-N 0 0 360.236 3.801 50 30 FHEARN N#Cc1ccc(OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 ZINC000006583343 210680253 /nfs/dbraw/zinc/68/02/53/210680253.db2.gz FSQGYZVMVHRRSE-UHFFFAOYSA-N 0 0 350.374 3.617 50 30 FHEARN N#CCOC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000005102501 210600847 /nfs/dbraw/zinc/60/08/47/210600847.db2.gz KKJNJAFYAUZYAC-UHFFFAOYSA-N 0 0 372.306 3.633 50 30 FHEARN Cc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4O)CC3=Nc3ncnn32)cc1 ZINC000005203748 210607209 /nfs/dbraw/zinc/60/72/09/210607209.db2.gz RIDQMOCZEPJQEZ-BTYIYWSLSA-N 0 0 372.428 3.708 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000004919668 210580019 /nfs/dbraw/zinc/58/00/19/210580019.db2.gz XDEMEAPCAVIKCG-MAUKXSAKSA-N 0 0 355.346 3.507 50 30 FHEARN COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 ZINC000004915482 210579262 /nfs/dbraw/zinc/57/92/62/210579262.db2.gz YVQQDLFGTUXOPL-CRAIPNDOSA-N 0 0 365.404 3.839 50 30 FHEARN CSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000004716106 210556843 /nfs/dbraw/zinc/55/68/43/210556843.db2.gz FRKCUZSBOCWCDZ-OAHLLOKOSA-N 0 0 358.442 3.797 50 30 FHEARN Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1C ZINC000004714959 210555759 /nfs/dbraw/zinc/55/57/59/210555759.db2.gz GFTBYIPAIZQSAX-RQZCQDPDSA-N 0 0 351.431 3.750 50 30 FHEARN CCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000004646506 210547408 /nfs/dbraw/zinc/54/74/08/210547408.db2.gz HEOBVZWXBWVPFV-VFKKPVCESA-N 0 0 354.357 3.658 50 30 FHEARN CCCCCCCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000003006025 210444350 /nfs/dbraw/zinc/44/43/50/210444350.db2.gz PFKJBSLIBOXQRT-UHFFFAOYSA-N 0 0 361.873 3.650 50 30 FHEARN O=C(Nc1nc2ccccc2s1)C(F)(F)C(F)(F)OC(F)(F)F ZINC000003149864 210451730 /nfs/dbraw/zinc/45/17/30/210451730.db2.gz GGAWFDFCOVSBRY-UHFFFAOYSA-N 0 0 362.226 3.999 50 30 FHEARN Cn1c2ccccc2nc1[C@H](C#N)C(=O)c1cc([N+](=O)[O-])ccc1Cl ZINC000002531025 210404124 /nfs/dbraw/zinc/40/41/24/210404124.db2.gz YUUXBOGKYUNAHL-GFCCVEGCSA-N 0 0 354.753 3.625 50 30 FHEARN CSc1ccc(/C=N/n2cnc3c4cc(F)ccc4[nH]c3c2=O)cc1 ZINC000002211059 210383499 /nfs/dbraw/zinc/38/34/99/210383499.db2.gz OSKFBSHONPVFGT-ZVBGSRNCSA-N 0 0 352.394 3.621 50 30 FHEARN CC(C)(C)NC(=NS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl ZINC000019911262 220305109 /nfs/dbraw/zinc/30/51/09/220305109.db2.gz HMSLYRHYBIWISB-UHFFFAOYSA-N 0 0 357.690 3.532 50 30 FHEARN CN(C)N1C(=O)C[C@@H](c2ccsc2)C2=C1C[C@@H](c1ccccc1)CC2=O ZINC000001430123 210353390 /nfs/dbraw/zinc/35/33/90/210353390.db2.gz OPOMNMKPKBTHEG-SJORKVTESA-N 0 0 366.486 3.941 50 30 FHEARN CN(C)N1C(=O)C[C@@H](c2ccsc2)C2=C1C[C@H](c1ccccc1)CC2=O ZINC000001430121 210352601 /nfs/dbraw/zinc/35/26/01/210352601.db2.gz OPOMNMKPKBTHEG-IRXDYDNUSA-N 0 0 366.486 3.941 50 30 FHEARN COC(=O)[C@@H]1C(=O)C=C(Nc2ccc(F)cc2F)C[C@@H]1c1ccccc1 ZINC000001440873 210352409 /nfs/dbraw/zinc/35/24/09/210352409.db2.gz DKJPKGHUDWMGTE-BEFAXECRSA-N 0 0 357.356 3.806 50 30 FHEARN Cc1nc(SCC(=O)N(C)Cc2ccccc2)c(C#N)c(C)c1Cl ZINC000001424582 210351006 /nfs/dbraw/zinc/35/10/06/210351006.db2.gz OLDLBTJZVSYBCE-UHFFFAOYSA-N 0 0 359.882 3.974 50 30 FHEARN C[C@@H]1SC2=NC3=C(C(=O)c4ccccc43)[C@H](c3ccccc3F)N2C1=O ZINC000001407014 210349318 /nfs/dbraw/zinc/34/93/18/210349318.db2.gz FTSPFNIYQMEXCJ-BTDLBPIBSA-N 0 0 364.401 3.808 50 30 FHEARN COc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)c(OC)c1 ZINC000001473723 210355649 /nfs/dbraw/zinc/35/56/49/210355649.db2.gz JJXCTFJKEBPRLJ-VXLYETTFSA-N 0 0 374.853 3.787 50 30 FHEARN O=S(=O)(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1 ZINC000001462160 210355090 /nfs/dbraw/zinc/35/50/90/210355090.db2.gz RMSJOOGBQKUVOU-XDHOZWIPSA-N 0 0 360.822 3.912 50 30 FHEARN O=C1C=C(c2ccccc2)C[C@@H](c2ccccc2)[C@@H]1n1cnc([N+](=O)[O-])n1 ZINC000001056517 210310016 /nfs/dbraw/zinc/31/00/16/210310016.db2.gz YEFOINVAAQTTLT-HKUYNNGSSA-N 0 0 360.373 3.568 50 30 FHEARN CCOc1cc(C#N)c(NC(=O)Cc2ccc(OC)cc2)cc1OCC ZINC000001076811 210312979 /nfs/dbraw/zinc/31/29/79/210312979.db2.gz CYMJFXYOKNQWBB-UHFFFAOYSA-N 0 0 354.406 3.545 50 30 FHEARN Cc1ccc(C(=O)/N=C2\SCCN2C(=O)c2ccc(C)s2)s1 ZINC000001003316 210301481 /nfs/dbraw/zinc/30/14/81/210301481.db2.gz FVSIUUSARNIQLN-NXVVXOECSA-N 0 0 350.490 3.812 50 30 FHEARN O=c1c2c3c(sc2ncn1/N=C/c1ccc(O)c(Cl)c1)CCCC3 ZINC000000980688 210297075 /nfs/dbraw/zinc/29/70/75/210297075.db2.gz ZGFLZIVVHNPXOM-DNTJNYDQSA-N 0 0 359.838 3.578 50 30 FHEARN Cc1cc(-c2ccco2)c(C#N)c(SCC(=O)c2ccc(O)c(O)c2)n1 ZINC000000859205 210282367 /nfs/dbraw/zinc/28/23/67/210282367.db2.gz KWDOKIPEOQXMIR-UHFFFAOYSA-N 0 0 366.398 3.908 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCC)cc1 ZINC000000823642 210277569 /nfs/dbraw/zinc/27/75/69/210277569.db2.gz DDYAHWPXOJULFD-IBGZPJMESA-N 0 0 355.434 3.616 50 30 FHEARN CC1=C(C(=O)N2CCCCC2)[C@H](c2ccsc2)C2=C(CCCC2=O)N1 ZINC000000815969 210276049 /nfs/dbraw/zinc/27/60/49/210276049.db2.gz CZRVGCRQSCQRJX-SFHVURJKSA-N 0 0 356.491 3.729 50 30 FHEARN O=c1[nH]ncc(NN=Cc2ccc(Cl)cc2Cl)c1Br ZINC000031858772 220647744 /nfs/dbraw/zinc/64/77/44/220647744.db2.gz DVOLWDDHURRQRY-SYZQJQIISA-N 0 0 362.014 3.698 50 30 FHEARN C#CCOc1ccc(/C=C2/C(=O)N(c3cccc(F)c3)N=C2C)cc1OC ZINC000033623154 220745742 /nfs/dbraw/zinc/74/57/42/220745742.db2.gz KBKOKGJAOJBZHZ-WOJGMQOQSA-N 0 0 364.376 3.652 50 30 FHEARN CC(=O)N[C@@H]1C[C@H](c2cc(F)cc(F)c2)O[C@H](c2cccc(C#N)c2)C1 ZINC000065381212 221206008 /nfs/dbraw/zinc/20/60/08/221206008.db2.gz SESGFCGVKDCIBX-SLFFLAALSA-N 0 0 356.372 3.934 50 30 FHEARN Cc1oc(NC(=O)c2ccc(CN(C)Cc3ccno3)cc2)c(C#N)c1C ZINC000065420721 221217077 /nfs/dbraw/zinc/21/70/77/221217077.db2.gz PNBDPBJHTXCTAJ-UHFFFAOYSA-N 0 0 364.405 3.640 50 30 FHEARN COc1cc(-c2c(C)c([C@@H]3CCOC(C)(C)C3)nc(N)c2C#N)ccc1O ZINC000067787647 221285820 /nfs/dbraw/zinc/28/58/20/221285820.db2.gz JJLYYZWJAVERNL-CQSZACIVSA-N 0 0 367.449 3.898 50 30 FHEARN COc1ccc(-c2cc(-c3cnc(-c4ccco4)nc3)c(C#N)c(N)n2)cc1 ZINC000067788803 221286075 /nfs/dbraw/zinc/28/60/75/221286075.db2.gz YZKHFPXRPUUFAU-UHFFFAOYSA-N 0 0 369.384 3.928 50 30 FHEARN N#Cc1c(N)nc(-c2ccccn2)cc1-c1cnn(-c2ccc(F)cc2)c1 ZINC000067855731 221296223 /nfs/dbraw/zinc/29/62/23/221296223.db2.gz YXLBMPUKYPTLPK-UHFFFAOYSA-N 0 0 356.364 3.589 50 30 FHEARN COc1ccc(-c2nc(CN3CCC[C@H](C#N)C3)c(C)o2)c(OC)c1C ZINC000067946733 221307166 /nfs/dbraw/zinc/30/71/66/221307166.db2.gz MOQMKBFALGQGQL-OAHLLOKOSA-N 0 0 355.438 3.711 50 30 FHEARN COc1ccc(-c2cc(-c3cnc(C(C)C)nc3)c(C#N)c(N)n2)c(F)c1 ZINC000067954671 221308357 /nfs/dbraw/zinc/30/83/57/221308357.db2.gz RHIGGZJBZUCYBF-UHFFFAOYSA-N 0 0 363.396 3.931 50 30 FHEARN Cc1c(NC[C@@H](O)c2ccccc2C(F)(F)F)cc(C#N)cc1[N+](=O)[O-] ZINC000068998183 221320586 /nfs/dbraw/zinc/32/05/86/221320586.db2.gz YTTXMSOXRBGNHC-MRXNPFEDSA-N 0 0 365.311 3.939 50 30 FHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(Cc1ccco1)CC(F)(F)F ZINC000070920581 221335654 /nfs/dbraw/zinc/33/56/54/221335654.db2.gz FQDKMLMZQQHZRW-GFCCVEGCSA-N 0 0 352.312 3.510 50 30 FHEARN N#Cc1c(N)nc(-c2cccc(N3CCCC3)c2)cc1-c1ccc(CO)o1 ZINC000071759548 221366110 /nfs/dbraw/zinc/36/61/10/221366110.db2.gz ZMMSYNSKGODKSZ-UHFFFAOYSA-N 0 0 360.417 3.555 50 30 FHEARN N#Cc1ccc(C(F)(F)F)nc1N1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000095406121 132210866 /nfs/dbraw/zinc/21/08/66/132210866.db2.gz FQQRAINLXXHMQA-LBPRGKRZSA-N 0 0 363.343 3.616 50 30 FHEARN N#Cc1c(C#N)c(N2CCC(c3ncc[nH]3)CC2)nc2c1CCCCCC2 ZINC000225455673 132284831 /nfs/dbraw/zinc/28/48/31/132284831.db2.gz KVECOPRZBFJMCL-UHFFFAOYSA-N 0 0 360.465 3.591 50 30 FHEARN COc1ccccc1N1CCN(CC#C[C@@]2(C)CCCC(C)(C)O2)CC1 ZINC000019933967 132373801 /nfs/dbraw/zinc/37/38/01/132373801.db2.gz FSPAZPKCGQNDDV-JOCHJYFZSA-N 0 0 356.510 3.558 50 30 FHEARN CCN1CCCc2cc(/C=N/NC(=S)Nc3ccccc3OC)ccc21 ZINC000003036802 132384657 /nfs/dbraw/zinc/38/46/57/132384657.db2.gz HVCMQPHOFZCPMR-KGENOOAVSA-N 0 0 368.506 3.788 50 30 FHEARN N#Cc1ccc(N2CCC(C(=O)Nc3cccc4c3CCCC4)CC2)nc1 ZINC000025282120 132913432 /nfs/dbraw/zinc/91/34/32/132913432.db2.gz QBJKWSQLPAROBL-UHFFFAOYSA-N 0 0 360.461 3.687 50 30 FHEARN O=C1c2ccccc2S/C1=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000026770741 136153173 /nfs/dbraw/zinc/15/31/73/136153173.db2.gz QAKKSAVLFFBTDK-PDGQHHTCSA-N 0 0 368.414 3.761 50 30 FHEARN CC(C)Oc1cccc2c1c(NC(=O)c1cc(F)cc(C#N)c1)nn2C ZINC000077354771 221612280 /nfs/dbraw/zinc/61/22/80/221612280.db2.gz WEPVMNTUDZMKSJ-UHFFFAOYSA-N 0 0 352.369 3.624 50 30 FHEARN Cc1nc(C(=O)N2CCCCC[C@@H]2CC(=O)c2ccco2)ccc1C#N ZINC000079103371 221686966 /nfs/dbraw/zinc/68/69/66/221686966.db2.gz YZJXNPSXUJSTCJ-MRXNPFEDSA-N 0 0 351.406 3.513 50 30 FHEARN C[C@H]1CC[C@H](OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 ZINC000095996097 221987539 /nfs/dbraw/zinc/98/75/39/221987539.db2.gz GDIKYKHXTOMNAY-ZFWWWQNUSA-N 0 0 369.421 3.754 50 30 FHEARN C=CCN1C(=O)S/C(=C\c2ccc(N(C)C)c(Br)c2)C1=O ZINC000096569903 222125414 /nfs/dbraw/zinc/12/54/14/222125414.db2.gz NJJQFALMVCLFSX-LCYFTJDESA-N 0 0 367.268 3.737 50 30 FHEARN O=[N+]([O-])c1cccc(/C=N/c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000096609285 222126017 /nfs/dbraw/zinc/12/60/17/222126017.db2.gz LAJBDTKGGGHJHV-XMHGGMMESA-N 0 0 373.434 3.520 50 30 FHEARN CNS(=O)(=O)c1ccc(C(=O)/C=C\c2ccccc2C(F)(F)F)cc1 ZINC000096792700 222130581 /nfs/dbraw/zinc/13/05/81/222130581.db2.gz ZEWCFFIKCYJDLI-FLIBITNWSA-N 0 0 369.364 3.510 50 30 FHEARN COC(=O)c1sc2ncc(C(=O)/C=C\c3cccc(O)c3)cc2c1C ZINC000097046469 222154899 /nfs/dbraw/zinc/15/48/99/222154899.db2.gz KHDGZPCTKFHTAM-SREVYHEPSA-N 0 0 353.399 3.993 50 30 FHEARN C=CCOc1ccc(/C=C2/N=C(c3cc(OC)cc(OC)c3)OC2=O)cc1 ZINC000097987564 222219315 /nfs/dbraw/zinc/21/93/15/222219315.db2.gz WSHUTGFIEOPODM-VXLYETTFSA-N 0 0 365.385 3.613 50 30 FHEARN CCCC(NCCc1c(C)[nH]c2ccc(OC)cc21)=C1C(=O)CCCC1=O ZINC000100140273 222236919 /nfs/dbraw/zinc/23/69/19/222236919.db2.gz GEUCHUZDXIGXOK-UHFFFAOYSA-N 0 0 368.477 3.993 50 30 FHEARN COCCN1C(=O)/C(=C/c2ccc(OC)cc2)S/C1=N/c1ccccc1 ZINC000100280152 222240692 /nfs/dbraw/zinc/24/06/92/222240692.db2.gz JKYOUSSWSZGYNG-RABLAQOOSA-N 0 0 368.458 3.946 50 30 FHEARN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccccc1F)c1ccccc1 ZINC000100439925 222244220 /nfs/dbraw/zinc/24/42/20/222244220.db2.gz YAUAALOIVRUZST-WOOAAIBNSA-N 0 0 374.371 3.847 50 30 FHEARN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)n2ncc(C#N)c2N1 ZINC000101470878 222275665 /nfs/dbraw/zinc/27/56/65/222275665.db2.gz SYGHDZGHBAQFOP-QGZVFWFLSA-N 0 0 361.430 3.744 50 30 FHEARN CCC(Nc1ccc(OC)cc1)=C1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000102537568 222299308 /nfs/dbraw/zinc/29/93/08/222299308.db2.gz KCWCTPCUJBQCRS-AQRZYSDFSA-N 0 0 359.422 3.778 50 30 FHEARN C=CCn1c(SCC(=O)c2ccccc2)nc2sc(C)cc2c1=O ZINC000001122003 263142744 /nfs/dbraw/zinc/14/27/44/263142744.db2.gz MPMQDLOTYNBZFU-UHFFFAOYSA-N 0 0 356.472 3.927 50 30 FHEARN CCCCCOc1ccc(C=NN2C(=S)N=NC2c2cc(C)[nH]n2)cc1 ZINC000009328315 263361395 /nfs/dbraw/zinc/36/13/95/263361395.db2.gz UHYBFZPHVSQOST-XDHOZWIPSA-N 0 0 370.482 3.717 50 30 FHEARN CCOc1ccc(C2N=NC(=S)N2NN=Cc2sccc2C)cc1 ZINC000009332182 263361402 /nfs/dbraw/zinc/36/14/02/263361402.db2.gz MUBRZMFKBOEYKT-LICLKQGHSA-N 0 0 359.480 3.580 50 30 FHEARN C=CCNC(=O)COc1ccccc1-c1noc(-c2ccc(Cl)cc2)n1 ZINC000033325167 263395571 /nfs/dbraw/zinc/39/55/71/263395571.db2.gz JFLYRDMYZJRILJ-UHFFFAOYSA-N 0 0 369.808 3.738 50 30 FHEARN CN(Cc1noc(C2CCC2)n1)C(=O)c1cccc(-c2ccc(C#N)nc2)c1 ZINC000426490335 263605597 /nfs/dbraw/zinc/60/55/97/263605597.db2.gz PZTKHXGFNWYNBJ-UHFFFAOYSA-N 0 0 373.416 3.543 50 30 FHEARN C#CCn1c2ccc(F)cc2sc1=NC(=O)Cc1ccc(C)c(C)c1 ZINC000100987578 518343320 /nfs/dbraw/zinc/34/33/20/518343320.db2.gz ZQRSDHAJUSGJPN-XDOYNYLZSA-N 0 0 352.434 3.762 50 30 FHEARN C=C(C)Cn1c(CNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21 ZINC000001927078 518639363 /nfs/dbraw/zinc/63/93/63/518639363.db2.gz APJFXMXSLJRYDU-UHFFFAOYSA-N 0 0 365.433 3.560 50 30 FHEARN C=C(C)Cn1c(SCC(=O)Oc2ccccc2)nc2ccccc2c1=O ZINC000004858050 518641283 /nfs/dbraw/zinc/64/12/83/518641283.db2.gz SGKDOSZXNQJORT-UHFFFAOYSA-N 0 0 366.442 3.670 50 30 FHEARN C=CCN(C(=O)Cc1ccc2c(c1)OCCO2)c1nc2c(s1)CCCC2 ZINC000015968802 518733908 /nfs/dbraw/zinc/73/39/08/518733908.db2.gz YCMFZJKUPMOJHE-UHFFFAOYSA-N 0 0 370.474 3.555 50 30 FHEARN C=CCN(Cc1ccccc1C)C(=O)[C@@H](C)c1n[nH]c(=O)c2ccccc21 ZINC000055041942 518785990 /nfs/dbraw/zinc/78/59/90/518785990.db2.gz PJFYPOSLUPJVPQ-INIZCTEOSA-N 0 0 361.445 3.550 50 30 FHEARN C=CCN1C(=O)CSc2ccc(C(=O)NCCC3=CCCCC3)cc21 ZINC000003040914 518835553 /nfs/dbraw/zinc/83/55/53/518835553.db2.gz GGQAKQGGPJLUKH-UHFFFAOYSA-N 0 0 356.491 3.932 50 30 FHEARN C=CCOc1cccc(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000004870306 519053441 /nfs/dbraw/zinc/05/34/41/519053441.db2.gz WOUSFSWQXGYABV-UHFFFAOYSA-N 0 0 369.808 3.885 50 30 FHEARN C=CCn1c(SCc2cc(NCC)ccn2)nc2ccccc2c1=O ZINC000089977936 519238727 /nfs/dbraw/zinc/23/87/27/519238727.db2.gz FQZFFPMMRQEQLW-UHFFFAOYSA-N 0 0 352.463 3.702 50 30 FHEARN C=CCn1c(SCc2ccc(C(=O)OC)o2)nnc1-c1ccccc1 ZINC000003485276 519239180 /nfs/dbraw/zinc/23/91/80/519239180.db2.gz DXMXUINBESEOMC-UHFFFAOYSA-N 0 0 355.419 3.803 50 30 FHEARN CC(C)COc1ccc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000004332820 519762496 /nfs/dbraw/zinc/76/24/96/519762496.db2.gz WVEOZCYNARGWFJ-MRXNPFEDSA-N 0 0 372.465 3.609 50 30 FHEARN CCCCNC(=S)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C ZINC000013597786 519886874 /nfs/dbraw/zinc/88/68/74/519886874.db2.gz XOIZNVJZGAYWSD-UHFFFAOYSA-N 0 0 369.556 3.667 50 30 FHEARN CCN(C(C)=O)c1nc(/C=C/C(=O)c2ccccc2-n2cccn2)cs1 ZINC000058179679 520133387 /nfs/dbraw/zinc/13/33/87/520133387.db2.gz RAEFVYAEFBGASF-MDZDMXLPSA-N 0 0 366.446 3.598 50 30 FHEARN CCOC(=NC(=O)c1cccc(OC)c1)N[C@@H]1CCCc2ccccc21 ZINC000004752205 520390574 /nfs/dbraw/zinc/39/05/74/520390574.db2.gz SYUOTRSWNPZRIE-LJQANCHMSA-N 0 0 352.434 3.895 50 30 FHEARN CCOc1cc(C=NN2CCN(Cc3ccccc3Cl)CC2)ccc1O ZINC000238899574 520691689 /nfs/dbraw/zinc/69/16/89/520691689.db2.gz GSMSHLLKVKVLLZ-UHFFFAOYSA-N 0 0 373.884 3.596 50 30 FHEARN CCOc1ccc(C2N=NC(=S)N2NN=Cc2ccccc2C)cc1 ZINC000006876124 520824027 /nfs/dbraw/zinc/82/40/27/520824027.db2.gz QOGKDCVEUOZSEX-XDHOZWIPSA-N 0 0 353.451 3.519 50 30 FHEARN CCOc1ccc(N(C)/C=C(\C(C)=O)S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000098212111 521019834 /nfs/dbraw/zinc/01/98/34/521019834.db2.gz ONHLQMALPJVMNF-XSFVSMFZSA-N 0 0 373.474 3.734 50 30 FHEARN CCOc1ccc(NC=CC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001015496 521031523 /nfs/dbraw/zinc/03/15/23/521031523.db2.gz NSKYWNZVVQFHCC-ZHACJKMWSA-N 0 0 357.406 3.920 50 30 FHEARN COc1cc(/C=C/C(=O)c2ccc(N3CCCC3=O)cc2)cc(OC)c1 ZINC000007325163 521937869 /nfs/dbraw/zinc/93/78/69/521937869.db2.gz IGHPQUVPCSSCPQ-BJMVGYQFSA-N 0 0 351.402 3.727 50 30 FHEARN COC(=O)c1ccc(NC(=Nc2ccccc2)n2sc(C)cc2=N)cc1 ZINC000020344119 521940791 /nfs/dbraw/zinc/94/07/91/521940791.db2.gz OCPYKEIZQZHRBR-UHFFFAOYSA-N 0 0 366.446 3.772 50 30 FHEARN COc1cc(C(=O)/C=C\c2ccc3c(c2)OCCO3)ccc1OC(F)F ZINC000096759038 522051464 /nfs/dbraw/zinc/05/14/64/522051464.db2.gz UBEQYCIHLQCALN-DJWKRKHSSA-N 0 0 362.328 3.964 50 30 FHEARN CN(C)c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000252429424 522158456 /nfs/dbraw/zinc/15/84/56/522158456.db2.gz MVOSBXFNGZBZLU-UHFFFAOYSA-N 0 0 357.870 3.835 50 30 FHEARN CO/N=C(/CN1CCN(c2cccc(Cl)c2)CC1)c1ccc(F)cc1 ZINC000020389765 522738184 /nfs/dbraw/zinc/73/81/84/522738184.db2.gz KWDYYFNITLLAEM-QOCHGBHMSA-N 0 0 361.848 3.652 50 30 FHEARN COC(=O)C(CC(=O)c1ccc(Br)cc1)=Nc1ccccc1 ZINC000100706367 522740750 /nfs/dbraw/zinc/74/07/50/522740750.db2.gz SNLPBXQBOOKXJQ-RVDMUPIBSA-N 0 0 360.207 3.801 50 30 FHEARN COC(=O)COc1ccc(/C=N\c2ccc(Br)cc2F)cc1 ZINC000018031093 523221339 /nfs/dbraw/zinc/22/13/39/523221339.db2.gz IYDWOCVCABEZON-OCKHKDLRSA-N 0 0 366.186 3.891 50 30 FHEARN COc1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)c(F)c2)c(OC)c1 ZINC000096765561 523436369 /nfs/dbraw/zinc/43/63/69/523436369.db2.gz HVIOSKAKOQCWDJ-YVMONPNESA-N 0 0 371.408 3.576 50 30 FHEARN COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c(OC)c1 ZINC000005128036 523538377 /nfs/dbraw/zinc/53/83/77/523538377.db2.gz MGRRLDUZDMYFMW-RMKNXTFCSA-N 0 0 358.390 3.626 50 30 biogenic FHEARN COc1ccc(C(=O)O/N=C(/c2ccccc2)c2ccncc2)cc1OC ZINC000004183735 523768538 /nfs/dbraw/zinc/76/85/38/523768538.db2.gz NSRYBOAPNWOZKT-ATJXCDBQSA-N 0 0 362.385 3.708 50 30 FHEARN Cc1ccc(C)c(NC(=NOCc2ccc(Cl)cc2)c2nonc2N)c1 ZINC000004982624 524120245 /nfs/dbraw/zinc/12/02/45/524120245.db2.gz PYFAHYDXIZROBW-UHFFFAOYSA-N 0 0 371.828 3.913 50 30 FHEARN COc1ccccc1C=CC=NN1C(=S)N=NC1c1ccccc1F ZINC000005895897 524316003 /nfs/dbraw/zinc/31/60/03/524316003.db2.gz QJLOLJHHESSHRI-HOGMWEGNSA-N 0 0 354.410 3.929 50 30 FHEARN COc1cccc(-c2nnc(SCCCC#N)n2Cc2ccco2)c1 ZINC000005877876 525733370 /nfs/dbraw/zinc/73/33/70/525733370.db2.gz IIWDTCIFCYBVPP-UHFFFAOYSA-N 0 0 354.435 3.991 50 30 FHEARN COc1cccc(C(=O)O/N=C2/c3ccccc3N(c3ccccc3)C2=O)c1 ZINC000001403280 525838752 /nfs/dbraw/zinc/83/87/52/525838752.db2.gz PMIAJIFZFZPLGE-ATJXCDBQSA-N 0 0 372.380 3.935 50 30 FHEARN Cc1c(O)ccc(CN=Nc2nc(-c3cccnc3)nc3ccccc32)c1O ZINC000004851671 525878184 /nfs/dbraw/zinc/87/81/84/525878184.db2.gz JXUPGUKIUPYORV-FSJBWODESA-N 0 0 371.400 3.857 50 30 FHEARN Cc1c(Cl)cccc1OCc1ccc(C=NN2C(=S)N=NC2C)o1 ZINC000036611115 526377192 /nfs/dbraw/zinc/37/71/92/526377192.db2.gz NESAUSWLLMFFDF-QGMBQPNBSA-N 0 0 362.842 3.891 50 30 FHEARN N#CC1CCC(CNC(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1 ZINC000225654851 526440280 /nfs/dbraw/zinc/44/02/80/526440280.db2.gz SLCJHARIKUMLQQ-UHFFFAOYSA-N 0 0 373.403 3.999 50 30 FHEARN N#CCC(=O)Nc1ccc(C(=O)OCc2cc(-c3ccccc3)on2)cc1 ZINC000007323041 526442750 /nfs/dbraw/zinc/44/27/50/526442750.db2.gz MRMBAIDNUFFNHW-UHFFFAOYSA-N 0 0 361.357 3.551 50 30 FHEARN N#CCCCN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)s2)c2ccccc21 ZINC000002840928 526445506 /nfs/dbraw/zinc/44/55/06/526445506.db2.gz BFFUGAVLUDUEIJ-SFHVURJKSA-N 0 0 374.849 3.512 50 30 FHEARN N#CCN(C(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccc1 ZINC000006429633 526468973 /nfs/dbraw/zinc/46/89/73/526468973.db2.gz BMJBKUCYAWPTCG-UHFFFAOYSA-N 0 0 366.461 3.693 50 30 FHEARN NC(=NOCCOc1ccc(F)cc1)c1ccc(Oc2ccccc2)nc1 ZINC000058032326 526804358 /nfs/dbraw/zinc/80/43/58/526804358.db2.gz HEDKTXCLIUYKAF-UHFFFAOYSA-N 0 0 367.380 3.729 50 30 FHEARN N=C(NOC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccncc1 ZINC000004184134 526808903 /nfs/dbraw/zinc/80/89/03/526808903.db2.gz UXQHSUZYYFUKGN-UHFFFAOYSA-N 0 0 368.396 3.774 50 30 FHEARN Cc1onc(-c2ccccc2Cl)c1C(=O)ONC(=N)c1ccccc1 ZINC000004821417 526850353 /nfs/dbraw/zinc/85/03/53/526850353.db2.gz FOAQREHMCKCECH-UHFFFAOYSA-N 0 0 355.781 3.781 50 30 FHEARN Cn1c(SCC(=O)c2cn(CCC#N)c3ccccc23)nnc1C1CC1 ZINC000004891265 527083512 /nfs/dbraw/zinc/08/35/12/527083512.db2.gz NJHVKNAZLQDWLR-UHFFFAOYSA-N 0 0 365.462 3.536 50 30 FHEARN O=C(Cc1csc(Cc2ccc(F)cc2)n1)NCC#Cc1ccccc1 ZINC000058216701 527336103 /nfs/dbraw/zinc/33/61/03/527336103.db2.gz CWOBBIIDKANNBP-UHFFFAOYSA-N 0 0 364.445 3.583 50 30 FHEARN Cc1ncsc1CCN(C)C(=O)CC1=C(c2ccccc2)CCC1=O ZINC000072480632 527485222 /nfs/dbraw/zinc/48/52/22/527485222.db2.gz VXGRIDXRMSJEFO-UHFFFAOYSA-N 0 0 354.475 3.659 50 30 FHEARN O=C(NCC#Cc1ccccc1)NCCCCOc1ccc(Cl)cc1 ZINC000032802829 527545818 /nfs/dbraw/zinc/54/58/18/527545818.db2.gz KWZAFGQVMFHLDK-UHFFFAOYSA-N 0 0 356.853 3.850 50 30 FHEARN O=C(/C=C/c1ccccc1F)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000006048223 527635290 /nfs/dbraw/zinc/63/52/90/527635290.db2.gz DLYZZZHMFZXJDM-FMIVXFBMSA-N 0 0 359.422 3.506 50 30 FHEARN O=C(/C=C/c1ccccc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000008321643 527635648 /nfs/dbraw/zinc/63/56/48/527635648.db2.gz NJZRMJQRYIIHGP-JLHYYAGUSA-N 0 0 373.449 3.896 50 30 FHEARN COCCC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000048547073 560085223 /nfs/dbraw/zinc/08/52/23/560085223.db2.gz DLURJPMDGSFIIF-IXVYMMOLSA-N 0 0 374.521 3.663 50 30 biogenic,in-vitro FHEARN N#C[C@@H]1CCCN(Cc2cc(Cl)ccc2OCCCn2ccnc2)C1 ZINC000216179764 568110137 /nfs/dbraw/zinc/11/01/37/568110137.db2.gz FBVBAICQHOLROQ-INIZCTEOSA-N 0 0 358.873 3.741 50 30 FHEARN CC(C)=C1Oc2c(ccc3c2[C@H](c2cccc([N+](=O)[O-])c2)CC(=O)O3)C1=O ZINC000218412258 568232731 /nfs/dbraw/zinc/23/27/31/568232731.db2.gz YLMTZBVMKKQZQA-AWEZNQCLSA-N 0 0 365.341 3.905 50 30 FHEARN Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccccc2)o1 ZINC000000796001 568237576 /nfs/dbraw/zinc/23/75/76/568237576.db2.gz HNAMOXUUIRHCSF-SFHVURJKSA-N 0 0 363.369 3.960 50 30 FHEARN C=CCN1C(=O)S/C(=C\c2ccc(I)cc2)C1=O ZINC000033286811 568488301 /nfs/dbraw/zinc/48/83/01/568488301.db2.gz MWKQQMVCXVLYKT-FLIBITNWSA-N 0 0 371.199 3.514 50 30 FHEARN CCNC(=S)N=NCc1ccc(OCc2ccccc2F)c(OC)c1 ZINC000012374199 568542692 /nfs/dbraw/zinc/54/26/92/568542692.db2.gz RJQCZJQXKUGSLB-NHDPSOOVSA-N 0 0 361.442 3.643 50 30 FHEARN Cc1ccc(S(=O)(=O)OCC2(C#N)CC(OCc3ccccc3)C2)cc1 ZINC000096029349 570472076 /nfs/dbraw/zinc/47/20/76/570472076.db2.gz YDMJYSMRANIJFP-UHFFFAOYSA-N 0 0 371.458 3.590 50 30 FHEARN C#CCOc1ccccc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2 ZINC000002602891 570526002 /nfs/dbraw/zinc/52/60/02/570526002.db2.gz NDIKXICBISFWAB-UHFFFAOYSA-N 0 0 361.441 3.742 50 30 FHEARN COc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc(OC)c1OC ZINC000002591131 570526217 /nfs/dbraw/zinc/52/62/17/570526217.db2.gz JUNUZQZFMFVYDC-LFIBNONCSA-N 0 0 370.430 3.604 50 30 FHEARN N#Cc1ccc(COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 ZINC000004839999 570526360 /nfs/dbraw/zinc/52/63/60/570526360.db2.gz NZIGNPMLUUQZBE-UHFFFAOYSA-N 0 0 365.389 3.814 50 30 FHEARN Clc1ccc(OCCn2cc(/C=N/n3cnnc3)c3ccccc32)cc1 ZINC000002978209 570545899 /nfs/dbraw/zinc/54/58/99/570545899.db2.gz DBAZTNQWWZOSNJ-FOKLQQMPSA-N 0 0 365.824 3.847 50 30 FHEARN C=CCSC1=N/C(=C\c2cccc(OCC)c2OC(C)=O)C(=O)S1 ZINC000003003204 570549692 /nfs/dbraw/zinc/54/96/92/570549692.db2.gz FFSUAGNLBSTQDE-RAXLEYEMSA-N 0 0 363.460 3.900 50 30 FHEARN COc1cc(NC(=O)c2ccc(C#N)cc2F)ccc1NC(=O)C(C)C ZINC000004868773 570552463 /nfs/dbraw/zinc/55/24/63/570552463.db2.gz FTUVUWRHAAFCKF-UHFFFAOYSA-N 0 0 355.369 3.553 50 30 FHEARN COc1ccc(/C=N/N=C2/S[C@H](C)C(=O)N2Cc2ccccc2)cc1 ZINC000004889387 570555096 /nfs/dbraw/zinc/55/50/96/570555096.db2.gz CQRVAOVGELNQBP-IHQJQDDPSA-N 0 0 353.447 3.549 50 30 FHEARN C[C@H]1CCCN(c2ccc(C(=O)Nc3cccc(C#N)c3)cc2[N+](=O)[O-])C1 ZINC000004895547 570555669 /nfs/dbraw/zinc/55/56/69/570555669.db2.gz JKVYIZSBBXWJHC-AWEZNQCLSA-N 0 0 364.405 3.955 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1cc(OC)ccc1OC ZINC000004919615 570559579 /nfs/dbraw/zinc/55/95/79/570559579.db2.gz LLOZZLVCMMMTEU-OXJNMPFZSA-N 0 0 370.401 3.616 50 30 FHEARN CC(=O)[C@@H]1[C@@H](c2ccccc2F)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N21 ZINC000003656972 570567096 /nfs/dbraw/zinc/56/70/96/570567096.db2.gz AGDKEVSFFHBIQT-NJDAHSKKSA-N 0 0 357.388 3.816 50 30 FHEARN CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CCC2 ZINC000003901588 570570887 /nfs/dbraw/zinc/57/08/87/570570887.db2.gz KJOYYSABLGJKAE-IBGZPJMESA-N 0 0 355.434 3.616 50 30 FHEARN C=CCN1C(=O)/C(=C/c2ccc(O)c(OC)c2)S/C1=N/c1nccs1 ZINC000005022021 570575849 /nfs/dbraw/zinc/57/58/49/570575849.db2.gz UAHLODIBICUOQI-MJBRBLHISA-N 0 0 373.459 3.647 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(C)sc1SC ZINC000004094985 570576058 /nfs/dbraw/zinc/57/60/58/570576058.db2.gz FDMAEHNREJYAGJ-OAHLLOKOSA-N 0 0 363.504 3.919 50 30 FHEARN O=C(C1=C(O)C(=O)O[C@@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000004149817 570578581 /nfs/dbraw/zinc/57/85/81/570578581.db2.gz KRJSLDWQMSWTAM-MRXNPFEDSA-N 0 0 359.175 3.742 50 30 FHEARN CC(C)c1ccc(-c2nnn([C@@H](C)C(=O)Nc3cccc(C#N)c3)n2)cc1 ZINC000005087254 570582878 /nfs/dbraw/zinc/58/28/78/570582878.db2.gz QJQKWAZVULWTGU-AWEZNQCLSA-N 0 0 360.421 3.535 50 30 FHEARN C=CCNC(=O)Cc1ccc(N(Cc2cccc(F)c2)C(=O)C2CC2)cc1 ZINC000037556953 570592668 /nfs/dbraw/zinc/59/26/68/570592668.db2.gz YROPKXFZQOARRB-UHFFFAOYSA-N 0 0 366.436 3.614 50 30 FHEARN O=C1c2ccccc2S/C1=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 ZINC000004619068 570598182 /nfs/dbraw/zinc/59/81/82/570598182.db2.gz QAKKSAVLFFBTDK-LDADJPATSA-N 0 0 368.414 3.761 50 30 FHEARN COc1cc([C@H]2C3=C(NC4=C2C(=O)CCC4)c2ccccc2C3=O)ccc1O ZINC000004678872 570600492 /nfs/dbraw/zinc/60/04/92/570600492.db2.gz FNVGSOFWHKUKOL-LJQANCHMSA-N 0 0 373.408 3.702 50 30 FHEARN CC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000004681657 570600534 /nfs/dbraw/zinc/60/05/34/570600534.db2.gz YUEISTHTGGNRTR-SFHVURJKSA-N 0 0 354.406 3.788 50 30 FHEARN COC(=O)/C=C1\S/C(=N\c2ccccn2)N(c2ccc(C)c(C)c2)C1=O ZINC000004693157 570601054 /nfs/dbraw/zinc/60/10/54/570601054.db2.gz XJZNAYHPAMSENP-LZCBWBIGSA-N 0 0 367.430 3.523 50 30 FHEARN COc1ccc2c(c1)OCC/C2=N\OC(=O)c1cc(Cl)ccc1OC ZINC000004851325 570610483 /nfs/dbraw/zinc/61/04/83/570610483.db2.gz DUOIRQCWDKWOGA-HMMYKYKNSA-N 0 0 361.781 3.701 50 30 FHEARN CC(=O)Nc1ccc([C@@H]2C3=C(CCCC3=O)O[C@@H]3CCCC(=O)[C@@H]32)cc1 ZINC000004867343 570611673 /nfs/dbraw/zinc/61/16/73/570611673.db2.gz FSGGLVGJQVCFIE-HOJAQTOUSA-N 0 0 353.418 3.504 50 30 FHEARN COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1 ZINC000004915976 570613973 /nfs/dbraw/zinc/61/39/73/570613973.db2.gz MTQALQBWUDTCSZ-ZFWWWQNUSA-N 0 0 353.443 3.761 50 30 FHEARN CSc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005130458 570621491 /nfs/dbraw/zinc/62/14/91/570621491.db2.gz VAFZGOXVSNJVTP-ZDUSSCGKSA-N 0 0 373.503 3.754 50 30 FHEARN CC(C)(O)C(=CCc1ccccc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005292462 570623666 /nfs/dbraw/zinc/62/36/66/570623666.db2.gz QTFFCAPFNDUXJG-SPPNIPNTSA-N 0 0 370.365 3.755 50 30 FHEARN CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000005305789 570646702 /nfs/dbraw/zinc/64/67/02/570646702.db2.gz IFYMIRHDLBQXKN-NRFANRHFSA-N 0 0 365.408 3.835 50 30 FHEARN O=C1CCCC2=C1C1(CCCCC1)N=C(Nc1nc3ccccc3o1)N2 ZINC000006492394 570647766 /nfs/dbraw/zinc/64/77/66/570647766.db2.gz AZBGHUMVHJKFOO-UHFFFAOYSA-N 0 0 350.422 3.909 50 30 FHEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(F)c2)cc1 ZINC000006819616 570654855 /nfs/dbraw/zinc/65/48/55/570654855.db2.gz YZIKUPLKYXFVGO-YJBOKZPZSA-N 0 0 365.404 3.839 50 30 FHEARN C=CCN1C(=O)[C@@H](Cc2ccc(F)cc2)S/C1=N\N=C\c1cccs1 ZINC000012343841 570738262 /nfs/dbraw/zinc/73/82/62/570738262.db2.gz POVNOQUCOMZKBQ-GPAMEVQUSA-N 0 0 373.478 3.950 50 30 FHEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cccs1 ZINC000012385072 570740856 /nfs/dbraw/zinc/74/08/56/570740856.db2.gz UIUNWMXQKVVVBW-VOZBZGINSA-N 0 0 368.458 3.979 50 30 FHEARN O=S1(=O)CC[C@@H](/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 ZINC000012428686 570743808 /nfs/dbraw/zinc/74/38/08/570743808.db2.gz BYULKXUGMYBJKD-PCQWDSEFSA-N 0 0 357.353 3.571 50 30 FHEARN Cc1ccccc1[C@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CCS1 ZINC000219305749 570753976 /nfs/dbraw/zinc/75/39/76/570753976.db2.gz UMCUKUMRTJJRPN-LJQANCHMSA-N 0 0 372.515 3.736 50 30 FHEARN COc1ccc2[nH]c(S[C@H](C)C(=O)Nc3ccc(C#N)cc3)nc2c1 ZINC000004406477 570771978 /nfs/dbraw/zinc/77/19/78/570771978.db2.gz RGGHQOKHZCTTET-LLVKDONJSA-N 0 0 352.419 3.562 50 30 FHEARN Cc1sc(NC(=O)c2cccnc2OCC(F)(F)F)c(C#N)c1C ZINC000032796790 570803696 /nfs/dbraw/zinc/80/36/96/570803696.db2.gz ORSDGWFIMVORCR-UHFFFAOYSA-N 0 0 355.341 3.825 50 30 FHEARN CCOC(=O)c1ccc(/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 ZINC000005695105 570816407 /nfs/dbraw/zinc/81/64/07/570816407.db2.gz HKSWKYJZPHBGJD-UHFFFAOYSA-N 0 0 373.206 3.699 50 30 FHEARN CC/N=C1/S/C(=C\c2cccn2-c2ccc(N(C)C)cc2)C(=O)N1CC ZINC000101636162 570821669 /nfs/dbraw/zinc/82/16/69/570821669.db2.gz RHJGSCJXSISQBL-RABLAQOOSA-N 0 0 368.506 3.855 50 30 FHEARN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc(C#N)cc1F ZINC000032860258 570824004 /nfs/dbraw/zinc/82/40/04/570824004.db2.gz SSVLWLWOABDQMQ-LLVKDONJSA-N 0 0 360.366 3.830 50 30 FHEARN Clc1ccc(SCCOc2ccccc2/C=N/n2cnnc2)cc1 ZINC000004551302 570830486 /nfs/dbraw/zinc/83/04/86/570830486.db2.gz MDOZEEWWLHMNDK-SRZZPIQSSA-N 0 0 358.854 3.985 50 30 FHEARN N#Cc1c(COC(=O)CCc2cnn(-c3ccccc3)c2)cn2ccccc12 ZINC000032899096 570837333 /nfs/dbraw/zinc/83/73/33/570837333.db2.gz XNTSCCCAXWGBBE-UHFFFAOYSA-N 0 0 370.412 3.673 50 30 FHEARN COC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2cccn2C)C1=O ZINC000103379172 570847238 /nfs/dbraw/zinc/84/72/38/570847238.db2.gz 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/nfs/dbraw/zinc/92/76/38/570927638.db2.gz OXOFAQJEVYUUCP-KRWDZBQOSA-N 0 0 355.413 3.511 50 30 FHEARN Cc1ccc(NC(=NC(=O)c2ccccc2)NC[C@@H]2CCCO2)cc1C ZINC000046129690 570928053 /nfs/dbraw/zinc/92/80/53/570928053.db2.gz XOMLMCASDXHYBS-IBGZPJMESA-N 0 0 351.450 3.680 50 30 FHEARN Cc1ccc(NC(=NC(=O)c2ccccc2)NC[C@H]2CCCO2)cc1C ZINC000046129694 570928099 /nfs/dbraw/zinc/92/80/99/570928099.db2.gz XOMLMCASDXHYBS-LJQANCHMSA-N 0 0 351.450 3.680 50 30 FHEARN Cc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cc(C)cc(C)c2)cc1 ZINC000046131537 570928435 /nfs/dbraw/zinc/92/84/35/570928435.db2.gz UBDPYGCNKBAFOW-HXUWFJFHSA-N 0 0 365.477 3.989 50 30 FHEARN CCc1cccc(NC(=NC(=O)c2ccccc2)NC[C@@H]2CCCO2)c1 ZINC000046130787 570928545 /nfs/dbraw/zinc/92/85/45/570928545.db2.gz QMEAWMPWOMJGIU-IBGZPJMESA-N 0 0 351.450 3.626 50 30 FHEARN Cc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(C)c2C)c1 ZINC000046131617 570928883 /nfs/dbraw/zinc/92/88/83/570928883.db2.gz VMIATJAASWXDJC-LJQANCHMSA-N 0 0 365.477 3.989 50 30 FHEARN Cc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(F)cc2)c1 ZINC000046132055 570929024 /nfs/dbraw/zinc/92/90/24/570929024.db2.gz JFOBEHVWKCAOHQ-GOSISDBHSA-N 0 0 355.413 3.511 50 30 FHEARN CC(C)(O)C#Cc1ccc(C(=O)N2CC[C@@H](c3ccccc3Cl)C2)o1 ZINC000067490761 571006502 /nfs/dbraw/zinc/00/65/02/571006502.db2.gz NXMSOMZUNXCMJT-CQSZACIVSA-N 0 0 357.837 3.685 50 30 FHEARN Cc1nnc(SCCOc2ccc(C#N)cc2)n1-c1cccc(C)c1 ZINC000011023863 571015972 /nfs/dbraw/zinc/01/59/72/571015972.db2.gz LRXVGVXPWAXDAG-UHFFFAOYSA-N 0 0 350.447 3.927 50 30 FHEARN C=CCc1cc(C(=O)N2CCC(OCc3ccccn3)CC2)ccc1OC ZINC000220754738 571032851 /nfs/dbraw/zinc/03/28/51/571032851.db2.gz LKIPAXVXDITDDZ-UHFFFAOYSA-N 0 0 366.461 3.640 50 30 FHEARN CC[C@@H](C)Nc1oc(/C=C/c2cc(OC)c(OC)c(OC)c2)nc1C#N ZINC000008326054 571040399 /nfs/dbraw/zinc/04/03/99/571040399.db2.gz ANTCOGUYTRQVMC-ABZNLYFFSA-N 0 0 357.410 3.953 50 30 FHEARN CC(O)=C1C(=O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1cccc(F)c1 ZINC000008566192 571050499 /nfs/dbraw/zinc/05/04/99/571050499.db2.gz 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COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)c1ccc2ccccc2c1 ZINC000009437830 571109285 /nfs/dbraw/zinc/10/92/85/571109285.db2.gz NMEDVJZVEYDNDR-HNNXBMFYSA-N 0 0 360.413 3.976 50 30 FHEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)no1 ZINC000005800509 571113507 /nfs/dbraw/zinc/11/35/07/571113507.db2.gz PSAWGMSCKIJFMD-GOSISDBHSA-N 0 0 360.369 3.766 50 30 FHEARN CCOc1ccccc1/C=C1\Oc2cc(O[C@H](C)C(=O)OC)ccc2C1=O ZINC000009575473 571113689 /nfs/dbraw/zinc/11/36/89/571113689.db2.gz MWQPBHGEOBWTLI-LPXFMOJISA-N 0 0 368.385 3.642 50 30 FHEARN Cc1oc(NC(=O)CN(C)Cc2ccc(C(F)(F)F)cc2)c(C#N)c1C ZINC000012816261 571115713 /nfs/dbraw/zinc/11/57/13/571115713.db2.gz HOAOSOGVVPMHDS-UHFFFAOYSA-N 0 0 365.355 3.857 50 30 FHEARN C=CCN(C(=O)Cc1ccc(OC)cc1OC)c1nc2c(s1)CCCC2 ZINC000012801043 571118717 /nfs/dbraw/zinc/11/87/17/571118717.db2.gz YYBIMOWQGFHMHF-UHFFFAOYSA-N 0 0 372.490 3.801 50 30 FHEARN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2n1C ZINC000057996468 571123602 /nfs/dbraw/zinc/12/36/02/571123602.db2.gz 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C=CCc1ccc(OCC(=O)Nc2cc(C#N)cc(F)c2C)c(OC)c1 ZINC000040122784 571206136 /nfs/dbraw/zinc/20/61/36/571206136.db2.gz ZRODDZITUUXMDI-UHFFFAOYSA-N 0 0 354.381 3.760 50 30 FHEARN N#Cc1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1 ZINC000006552023 571209007 /nfs/dbraw/zinc/20/90/07/571209007.db2.gz HQQTWSHYHYFRLL-UHFFFAOYSA-N 0 0 371.396 3.828 50 30 FHEARN C[S@@](=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C#N ZINC000004060111 571209913 /nfs/dbraw/zinc/20/99/13/571209913.db2.gz SADQDTDNTVDYGZ-QFIPXVFZSA-N 0 0 353.230 3.855 50 30 FHEARN COc1ccc2c(c1)O/C(=C\c1ccc(OC)c(Cn3cccn3)c1)C2=O ZINC000004744792 571230682 /nfs/dbraw/zinc/23/06/82/571230682.db2.gz UMBRUKBAYFPUOW-JAIQZWGSSA-N 0 0 362.385 3.565 50 30 FHEARN CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2sccc2C#N)cc1 ZINC000006610811 571237000 /nfs/dbraw/zinc/23/70/00/571237000.db2.gz MLBOIUJXPASEBG-UHFFFAOYSA-N 0 0 355.463 3.676 50 30 FHEARN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(C#N)c1 ZINC000011371887 571237006 /nfs/dbraw/zinc/23/70/06/571237006.db2.gz 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FHEARN O=S(=O)(NN=Cc1ccc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000252622003 571288197 /nfs/dbraw/zinc/28/81/97/571288197.db2.gz NMHUJRNAZBKVGE-UHFFFAOYSA-N 0 0 360.822 3.912 50 30 FHEARN Oc1ccc(Br)cc1C=Nc1ccc(N2CCOCC2)cc1 ZINC000252621399 571288262 /nfs/dbraw/zinc/28/82/62/571288262.db2.gz MXPOXALFLVGKJF-UHFFFAOYSA-N 0 0 361.239 3.742 50 30 FHEARN CCOc1ccc(OCC)c(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000252630255 571289512 /nfs/dbraw/zinc/28/95/12/571289512.db2.gz UXZCKUSBDVATPI-UHFFFAOYSA-N 0 0 374.353 3.746 50 30 FHEARN C[C@H]1c2ccsc2CCN1CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000007878541 571290474 /nfs/dbraw/zinc/29/04/74/571290474.db2.gz UCOPQYLKQMXIMT-NSHDSACASA-N 0 0 357.504 3.728 50 30 FHEARN O=C1C(=Nc2ccc3ccccc3c2)c2ccccc2N1CN1CCOCC1 ZINC000252639374 571291638 /nfs/dbraw/zinc/29/16/38/571291638.db2.gz YKIDGPQAKBEQDV-UHFFFAOYSA-N 0 0 371.440 3.597 50 30 FHEARN C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(C(=O)c2ccccc2C#N)C1 ZINC000091602386 571319137 /nfs/dbraw/zinc/31/91/37/571319137.db2.gz 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/nfs/dbraw/zinc/33/99/72/571339972.db2.gz DIMIETLBCOOBFH-LJQANCHMSA-N 0 0 357.479 3.698 50 30 FHEARN N#Cc1ccc(NC(=O)CN2CC=C(c3ccccc3)CC2)cc1Cl ZINC000002726644 571340648 /nfs/dbraw/zinc/34/06/48/571340648.db2.gz NXYADIIYHIOWEX-UHFFFAOYSA-N 0 0 351.837 3.939 50 30 FHEARN N#Cc1ccc(F)c(CNc2ccn(-c3ncccc3C(F)(F)F)n2)c1 ZINC000131925239 571342171 /nfs/dbraw/zinc/34/21/71/571342171.db2.gz VAZSGUPGCNWALJ-UHFFFAOYSA-N 0 0 361.302 3.909 50 30 FHEARN N#Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CCCC2 ZINC000003076019 571344606 /nfs/dbraw/zinc/34/46/06/571344606.db2.gz QLPYUALIKXSSMU-UHFFFAOYSA-N 0 0 372.362 3.567 50 30 FHEARN CS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C#N ZINC000003104735 571344755 /nfs/dbraw/zinc/34/47/55/571344755.db2.gz LZGKGRXEIADYRD-UHFFFAOYSA-N 0 0 369.229 3.521 50 30 FHEARN CC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1OC(F)F ZINC000030371227 571345613 /nfs/dbraw/zinc/34/56/13/571345613.db2.gz PMFDSJYPQUHRMA-OAHLLOKOSA-N 0 0 366.389 3.589 50 30 FHEARN N#Cc1c2sc3ccccc3n2c(=O)c(C#N)c1-c1ccc2c(c1)OCO2 ZINC000003230774 571345791 /nfs/dbraw/zinc/34/57/91/571345791.db2.gz ORHQERXQVUMWOU-UHFFFAOYSA-N 0 0 371.377 3.653 50 30 FHEARN C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003250027 571346099 /nfs/dbraw/zinc/34/60/99/571346099.db2.gz PWFJZGRWXKFJQI-NSHDSACASA-N 0 0 362.307 3.761 50 30 FHEARN N#Cc1ccc(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)cc1 ZINC000003308509 571347082 /nfs/dbraw/zinc/34/70/82/571347082.db2.gz WOSJGGOZWQXCBE-UHFFFAOYSA-N 0 0 370.408 3.872 50 30 FHEARN N#Cc1ccc(COC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000003339894 571347734 /nfs/dbraw/zinc/34/77/34/571347734.db2.gz IQACHFINISKXMP-UHFFFAOYSA-N 0 0 361.401 3.659 50 30 FHEARN Cc1sc(NC(=O)CCc2nc(-c3ccsc3)no2)c(C#N)c1C ZINC000058095529 571347996 /nfs/dbraw/zinc/34/79/96/571347996.db2.gz URYDHKRRCUBBKW-UHFFFAOYSA-N 0 0 358.448 3.919 50 30 FHEARN CCOc1ccc(-n2c(SCC#N)nnc2-c2ccccc2OC)cc1 ZINC000003402148 571349108 /nfs/dbraw/zinc/34/91/08/571349108.db2.gz QFBOVOLKAAJWIA-UHFFFAOYSA-N 0 0 366.446 3.957 50 30 FHEARN C[C@H](C(=O)Nc1ccc(C#N)cc1)N(C)Cc1ccc(Br)cc1 ZINC000003422190 571349441 /nfs/dbraw/zinc/34/94/41/571349441.db2.gz YXUBZXINQWIWLY-CYBMUJFWSA-N 0 0 372.266 3.780 50 30 FHEARN Cc1cc(C#N)nc(N2CCC[C@@H]2c2ccc(Br)c(F)c2)n1 ZINC000588039021 928969352 /nfs/dbraw/zinc/96/93/52/928969352.db2.gz JAPKAZCUSMWVID-OAHLLOKOSA-N 0 0 361.218 3.900 50 30 FHEARN Cc1cc(=NC(=O)c2cc(C)n(C3CCCCC3)c2C)[nH]n1CCC#N ZINC000332212911 945149876 /nfs/dbraw/zinc/14/98/76/945149876.db2.gz VMZHDZSSXLEFGM-UHFFFAOYSA-N 0 0 353.470 3.703 50 30 FHEARN CC1(C)C(=O)Nc2cc(C(=O)N[C@@H]3CCC(=O)N[C@@H]3[C@H]3CCCO3)ccc21 ZINC000329121849 942253317 /nfs/dbraw/zinc/25/33/17/942253317.db2.gz QTAOCMHIRCBPAU-UNEWFSDZSA-N 0 0 371.437 3.537 50 30 FHEARN CC(C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)C1=C(CCCC1=O)N2 ZINC000005860895 942315623 /nfs/dbraw/zinc/31/56/23/942315623.db2.gz AWPVFTSSMYIHRD-OAHLLOKOSA-N 0 0 367.474 3.835 50 30 FHEARN C[C@H]([NH+]=C([O-])NC1(C)Cc2ccccc2C1)c1ccc(Br)cn1 ZINC000329983341 944313157 /nfs/dbraw/zinc/31/31/57/944313157.db2.gz BCFBPHKWQMBXIV-LBPRGKRZSA-N 0 0 374.282 3.966 50 30 FHEARN COc1cccc(Cl)c1CNC(=O)N1CC[C@]2(C1)OCc1ccccc12 ZINC000330049517 944332136 /nfs/dbraw/zinc/33/21/36/944332136.db2.gz KWCVFWACQNZOSG-HXUWFJFHSA-N 0 0 372.852 3.894 50 30 FHEARN Cc1cc(C#N)ccc1C(=O)N1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000331888805 944961477 /nfs/dbraw/zinc/96/14/77/944961477.db2.gz IOMRRWSIANCFBD-AEFFLSMTSA-N 0 0 374.362 3.834 50 30 FHEARN N#Cc1ccc(-n2nccc2NC(=O)C[C@@]23CCCC[C@@H]2C3(F)F)cc1 ZINC000597228098 946737575 /nfs/dbraw/zinc/73/75/75/946737575.db2.gz CZMAMGFBGVFZJB-YJBOKZPZSA-N 0 0 356.376 3.898 50 30 FHEARN COc1ccccc1OCc1nc(C#N)c(NCc2ccc(F)cc2)o1 ZINC000000730240 210267510 /nfs/dbraw/zinc/26/75/10/210267510.db2.gz DDTMFLJGKUJGOZ-UHFFFAOYSA-N 0 0 353.353 3.885 50 30 FHEARN CSc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000000672377 210260755 /nfs/dbraw/zinc/26/07/55/210260755.db2.gz GYIRBLIMKDNRMN-XMHGGMMESA-N 0 0 360.504 3.944 50 30 FHEARN COc1cccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000000625727 210251935 /nfs/dbraw/zinc/25/19/35/210251935.db2.gz QNEUPCNQCCWOOI-IBGZPJMESA-N 0 0 355.434 3.615 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(C)n1 ZINC000000626940 210251860 /nfs/dbraw/zinc/25/18/60/210251860.db2.gz NWZWLKWHCPYGHL-IBGZPJMESA-N 0 0 354.450 3.557 50 30 FHEARN COc1cc(Br)c(/C=C2/COc3ccccc3C2=O)cc1O ZINC000096767441 210241005 /nfs/dbraw/zinc/24/10/05/210241005.db2.gz WAEYPBLNQIVZGG-WDZFZDKYSA-N 0 0 361.191 3.822 50 30 FHEARN N#Cc1ccc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)cc1 ZINC000096019411 210236756 /nfs/dbraw/zinc/23/67/56/210236756.db2.gz HOPVLSVBCPWNNB-OVCLIPMQSA-N 0 0 353.175 3.665 50 30 FHEARN C=CCn1c(S[C@H]2CCCC[C@H]2O)nc2sc(C)c(C)c2c1=O ZINC000089565207 210235182 /nfs/dbraw/zinc/23/51/82/210235182.db2.gz HNUDOOHXSFTJHO-OLZOCXBDSA-N 0 0 350.509 3.656 50 30 FHEARN COc1ccc(/C=C2\Oc3c(ccc(OC(C)=O)c3C)C2=O)c(OC)c1 ZINC000012877673 210233987 /nfs/dbraw/zinc/23/39/87/210233987.db2.gz CQRPIVFOXJWOIR-NVMNQCDNSA-N 0 0 354.358 3.554 50 30 FHEARN C[C@@H]1C[C@H](C)C[N@@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccncc2)O3)C1 ZINC000013541360 210233073 /nfs/dbraw/zinc/23/30/73/210233073.db2.gz AZCLLDBMUXTTLW-XXEDUFPJSA-N 0 0 364.445 3.881 50 30 FHEARN CCc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)OC)ccc3C2=O)cc1 ZINC000006555752 210230993 /nfs/dbraw/zinc/23/09/93/210230993.db2.gz ORARZNXRUJAGFV-LPXFMOJISA-N 0 0 352.386 3.806 50 30 FHEARN COc1ccc(-c2noc([C@H]3CCCN3C(=O)c3ccc(C#N)cc3)n2)cc1 ZINC000263619350 210223273 /nfs/dbraw/zinc/22/32/73/210223273.db2.gz YHWZVVSGSVOHLQ-GOSISDBHSA-N 0 0 374.400 3.594 50 30 FHEARN C=CCNC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(Cl)cc1 ZINC000033287812 210168219 /nfs/dbraw/zinc/16/82/19/210168219.db2.gz GVJXELOHOVPXKN-UHFFFAOYSA-N 0 0 353.809 3.989 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccncc1Cl ZINC000025694831 210161889 /nfs/dbraw/zinc/16/18/89/210161889.db2.gz DBGYTQQTKVQZJZ-MRXNPFEDSA-N 0 0 360.841 3.512 50 30 FHEARN C=CCNc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c21 ZINC000022341769 210159983 /nfs/dbraw/zinc/15/99/83/210159983.db2.gz OUJMDVUSXHYIQX-UHFFFAOYSA-N 0 0 372.519 3.850 50 30 FHEARN C=CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@H]1c1cccc(F)c1 ZINC000002463591 210151646 /nfs/dbraw/zinc/15/16/46/210151646.db2.gz KZAXJGAONTXUKH-ZBFHGGJFSA-N 0 0 374.437 3.594 50 30 FHEARN C=CCn1c(N)c(C(=O)N[C@H](C)c2ccccc2)c2nc3ccccc3nc21 ZINC000002290366 210151497 /nfs/dbraw/zinc/15/14/97/210151497.db2.gz VOZDADSJZDHJFL-CQSZACIVSA-N 0 0 371.444 3.844 50 30 FHEARN C=C(Br)Cn1c2ccccc2n(CC(=C)Br)c1=O ZINC000001926939 210151549 /nfs/dbraw/zinc/15/15/49/210151549.db2.gz KXMRURNEAABCTF-UHFFFAOYSA-N 0 0 372.060 3.620 50 30 FHEARN C=CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1ccc(C)cc1 ZINC000002463565 210150224 /nfs/dbraw/zinc/15/02/24/210150224.db2.gz ZJRDFCZNGYQAJZ-NVXWUHKLSA-N 0 0 370.474 3.763 50 30 FHEARN C=CCn1c(SCC(=O)C(C)(C)C)nc2sc(C)c(C)c2c1=O ZINC000002422016 210150243 /nfs/dbraw/zinc/15/02/43/210150243.db2.gz PESKKSNVWNFXMZ-UHFFFAOYSA-N 0 0 350.509 3.968 50 30 FHEARN C=C(C)Cn1c(C)cc(C)c(S(=O)(=O)c2ccccc2Cl)c1=O ZINC000001397528 210147400 /nfs/dbraw/zinc/14/74/00/210147400.db2.gz JMIJTHHXKKUXDO-UHFFFAOYSA-N 0 0 351.855 3.527 50 30 FHEARN C=CCOc1cccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c1 ZINC000012556420 210141712 /nfs/dbraw/zinc/14/17/12/210141712.db2.gz YCVCCDDQHITMKB-RXVVDRJESA-N 0 0 364.445 3.997 50 30 FHEARN C=CCn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1C1CC1 ZINC000012685767 210141376 /nfs/dbraw/zinc/14/13/76/210141376.db2.gz VRBLNBMWVQMYBM-QGZVFWFLSA-N 0 0 368.506 3.627 50 30 FHEARN C=CCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)c1 ZINC000012556421 210141277 /nfs/dbraw/zinc/14/12/77/210141277.db2.gz YCVCCDDQHITMKB-WIYYLYMNSA-N 0 0 364.445 3.997 50 30 FHEARN C#CCOc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1 ZINC000008570505 210134891 /nfs/dbraw/zinc/13/48/91/210134891.db2.gz LXDBUBZBCZHWJQ-UHFFFAOYSA-N 0 0 362.429 3.577 50 30 FHEARN C=CCSc1nnc(NC(=O)c2ccccc2Br)s1 ZINC000006735367 210107183 /nfs/dbraw/zinc/10/71/83/210107183.db2.gz JCGWKPSOFASUDP-UHFFFAOYSA-N 0 0 356.270 3.831 50 30 FHEARN C=CCNC(=O)/C(=C\c1cccc2ccccc12)NC(=O)c1ccccc1 ZINC000004611516 210104163 /nfs/dbraw/zinc/10/41/63/210104163.db2.gz SSOOEXBBPHSOTK-LTGZKZEYSA-N 0 0 356.425 3.913 50 30 FHEARN C=CCOC(=O)c1sc(NC(=O)COc2c(C)cc(C)cc2C)nc1C ZINC000005027469 210106514 /nfs/dbraw/zinc/10/65/14/210106514.db2.gz ABYJLWMCYNYMGM-UHFFFAOYSA-N 0 0 374.462 3.737 50 30 FHEARN C=CCNC(=O)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000005200921 210105776 /nfs/dbraw/zinc/10/57/76/210105776.db2.gz BZGLCJUXMFHTGK-PWSUYJOCSA-N 0 0 356.373 3.521 50 30 FHEARN OCC#Cc1ccc(-c2c(-c3ccccc3)ncn2CC2CCOCC2)cc1 ZINC000065407309 210098994 /nfs/dbraw/zinc/09/89/94/210098994.db2.gz JMTDEHHCQQZGBC-UHFFFAOYSA-N 0 0 372.468 3.988 50 30 FHEARN C#CCCCCC(=O)Nc1cccc(CN(CC)C(=O)C(F)(F)F)c1 ZINC000095983796 210091328 /nfs/dbraw/zinc/09/13/28/210091328.db2.gz YDDGXOJSMUACPE-UHFFFAOYSA-N 0 0 354.372 3.730 50 30 FHEARN C=C(Br)CNC(=O)C1(c2cccc(Br)c2)CC1 ZINC000058368437 210074742 /nfs/dbraw/zinc/07/47/42/210074742.db2.gz SDGTVTOVAQEEPY-UHFFFAOYSA-N 0 0 359.061 3.506 50 30 FHEARN C=CCn1cnnc1SCc1csc(-c2ccc(C(=O)OC)cc2)n1 ZINC000050247333 210061042 /nfs/dbraw/zinc/06/10/42/210061042.db2.gz VIYWWQCDXVVXDE-UHFFFAOYSA-N 0 0 372.475 3.667 50 30 FHEARN COc1ccc(-c2nsc(NC(=O)c3ccc(C#N)cc3C)n2)cc1 ZINC000122165903 210045954 /nfs/dbraw/zinc/04/59/54/210045954.db2.gz SSPYPVZJZXKYRE-UHFFFAOYSA-N 0 0 350.403 3.646 50 30 FHEARN N#Cc1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)cn1 ZINC000299774406 210021804 /nfs/dbraw/zinc/02/18/04/210021804.db2.gz CWLUNXWPMVSIHY-LJQANCHMSA-N 0 0 368.868 3.564 50 30 FHEARN C#CCOc1ccc(Br)cc1/C=C1\C(=O)Nc2ccccc21 ZINC000004690376 210006520 /nfs/dbraw/zinc/00/65/20/210006520.db2.gz DABFZTFWRZGFBL-PTNGSMBKSA-N 0 0 354.203 3.954 50 30 FHEARN COc1ccc(CNc2oc(COc3ccccc3OC)nc2C#N)cc1 ZINC000000934555 219342453 /nfs/dbraw/zinc/34/24/53/219342453.db2.gz NHPYJFLNZKHVCI-UHFFFAOYSA-N 0 0 365.389 3.755 50 30 FHEARN CN(CCC#N)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000002996465 219481238 /nfs/dbraw/zinc/48/12/38/219481238.db2.gz DXKHHQRCMCPRTR-UHFFFAOYSA-N 0 0 353.266 3.508 50 30 FHEARN COCCC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000257198368 223016320 /nfs/dbraw/zinc/01/63/20/223016320.db2.gz DLURJPMDGSFIIF-ZCNZEQCVSA-N 0 0 374.521 3.663 50 30 biogenic,in-vitro FHEARN C=CCNC(=S)N=NCc1cccc(OC)c1OCc1ccc(F)cc1 ZINC000005237086 219664407 /nfs/dbraw/zinc/66/44/07/219664407.db2.gz LMUDWOWEUPCZRL-WSDLNYQXSA-N 0 0 373.453 3.809 50 30 FHEARN Cc1ccc(C)c(Cn2cccc(C(=O)Nc3ccccc3C#N)c2=O)c1 ZINC000005270024 219667303 /nfs/dbraw/zinc/66/73/03/219667303.db2.gz SBFQTOJXOMYWCM-UHFFFAOYSA-N 0 0 357.413 3.637 50 30 FHEARN N#Cc1ccccc1Cn1c2cc3c(cc2nc1C(F)(F)F)OCCO3 ZINC000064814463 212045479 /nfs/dbraw/zinc/04/54/79/212045479.db2.gz OXEMKDVJNVDPFK-UHFFFAOYSA-N 0 0 359.307 3.746 50 30 FHEARN N#Cc1ccc(Cn2c3cc4c(cc3nc2C(F)(F)F)OCCO4)cc1 ZINC000064814464 212045335 /nfs/dbraw/zinc/04/53/35/212045335.db2.gz OPRTZPSNJSRUST-UHFFFAOYSA-N 0 0 359.307 3.746 50 30 FHEARN CC(=O)Nc1ccc(C2=NN/C(=N\c3cc(C)ccc3F)SC2)c(F)c1 ZINC000063311554 212031973 /nfs/dbraw/zinc/03/19/73/212031973.db2.gz NMQSINHVXNXSQK-UHFFFAOYSA-N 0 0 374.416 3.960 50 30 FHEARN N#Cc1c(COC(=O)c2ccc(-c3ccccc3)[nH]c2=O)cn2ccccc12 ZINC000061436314 212024589 /nfs/dbraw/zinc/02/45/89/212024589.db2.gz PSAZEUMJXGXNCF-UHFFFAOYSA-N 0 0 369.380 3.523 50 30 FHEARN N#Cc1ccccc1OS(=O)(=O)c1ccc(Br)cc1Cl ZINC000016093740 220179130 /nfs/dbraw/zinc/17/91/30/220179130.db2.gz HDHGLGIVWTZWFI-UHFFFAOYSA-N 0 0 372.627 3.742 50 30 FHEARN CSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccccc2)o1 ZINC000036611322 211670330 /nfs/dbraw/zinc/67/03/30/211670330.db2.gz MQAFXTRRFSEDOW-DJKKODMXSA-N 0 0 364.377 3.992 50 30 FHEARN Cc1nn(CC(C)C)c(Cl)c1C(=O)OCc1cn2ccccc2c1C#N ZINC000032898775 211569750 /nfs/dbraw/zinc/56/97/50/211569750.db2.gz INQHXZWNSMRIHB-UHFFFAOYSA-N 0 0 370.840 3.982 50 30 FHEARN C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1sccc1C#N ZINC000032774259 211560057 /nfs/dbraw/zinc/56/00/57/211560057.db2.gz BJIIJRFTIUPUGQ-NZWMYCLXSA-N 0 0 358.463 3.706 50 30 FHEARN C=C(C[C@@H](CN1CCOCC1)C(=O)c1ccccc1)C(=O)c1ccccc1 ZINC000020791608 211295756 /nfs/dbraw/zinc/29/57/56/211295756.db2.gz RDQKZBUUAHHHIL-NRFANRHFSA-N 0 0 363.457 3.647 50 30 FHEARN N#CCc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)cc1 ZINC000020319534 211274544 /nfs/dbraw/zinc/27/45/44/211274544.db2.gz VBNIONBMXCDSTC-IBGZPJMESA-N 0 0 360.442 3.976 50 30 FHEARN CSc1nn(-c2cc(Oc3cc(C)cc(C)c3)nc(C)n2)c(N)c1C#N ZINC000019910315 211261255 /nfs/dbraw/zinc/26/12/55/211261255.db2.gz DMGFXJSQEFLPPV-UHFFFAOYSA-N 0 0 366.450 3.556 50 30 FHEARN O=C1Nc2ccc(F)cc2/C1=C1/S/C(=N\c2ccccc2Cl)NC1=O ZINC000019843045 211259918 /nfs/dbraw/zinc/25/99/18/211259918.db2.gz HNOFQKYBQYGFNQ-YPKPFQOOSA-N 0 0 373.796 3.693 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000019811245 211256728 /nfs/dbraw/zinc/25/67/28/211256728.db2.gz UWEOANXIMPFBMC-MRXNPFEDSA-N 0 0 365.351 3.846 50 30 FHEARN CCc1ccc2nc(NC3=NCN(C4CCCCCC4)CN3)nc(C)c2c1 ZINC000019320830 211214988 /nfs/dbraw/zinc/21/49/88/211214988.db2.gz DMHRKBRUWFMIOX-UHFFFAOYSA-N 0 0 366.513 3.621 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1F ZINC000019300824 211214809 /nfs/dbraw/zinc/21/48/09/211214809.db2.gz ZBSIGKQXMCNKJN-GOSISDBHSA-N 0 0 357.425 3.993 50 30 FHEARN C=CCC1=C[C@](OC)(/C(C)=C/c2ccc3c(c2)OCO3)C(OC)=CC1=O ZINC000018103090 211192018 /nfs/dbraw/zinc/19/20/18/211192018.db2.gz AOZTYYBGNNXAOI-PBAKHKOTSA-N 0 0 354.402 3.819 50 30 biogenic,in-vitro FHEARN CC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000018066777 211189469 /nfs/dbraw/zinc/18/94/69/211189469.db2.gz DYASVYHYVIOPKN-GOSISDBHSA-N 0 0 360.369 3.752 50 30 FHEARN COC(=O)c1cc(/C=C2\S/C(=N/c3c(C)cccc3C)NC2=O)oc1C ZINC000017699223 211186495 /nfs/dbraw/zinc/18/64/95/211186495.db2.gz JDVGJVGNWAXIIA-DHDCSXOGSA-N 0 0 370.430 3.883 50 30 FHEARN CCN(CC)c1ccc([C@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CCC3)cc1 ZINC000018195526 211193905 /nfs/dbraw/zinc/19/39/05/211193905.db2.gz HOLKFDVAPUELIM-MRXNPFEDSA-N 0 0 352.438 3.526 50 30 FHEARN COc1ccc(N=C(NC(=O)C(C)C)Nc2nc(C)cc(C)n2)cc1OC ZINC000018113582 211192300 /nfs/dbraw/zinc/19/23/00/211192300.db2.gz FACIUVUZXNRCCG-UHFFFAOYSA-N 0 0 371.441 3.823 50 30 FHEARN CC(C)(C)c1ccc(S(=O)(=O)N/N=C\c2cc(Cl)ccc2O)cc1 ZINC000017075369 211179350 /nfs/dbraw/zinc/17/93/50/211179350.db2.gz JUBUOQQDZGAZED-ODLFYWEKSA-N 0 0 366.870 3.656 50 30 FHEARN O=C(Nc1nnc(Cc2ccccc2)s1)c1cc(=O)[nH]c2ccccc21 ZINC000016051106 211153906 /nfs/dbraw/zinc/15/39/06/211153906.db2.gz HSPLHYCCINLMJK-UHFFFAOYSA-N 0 0 362.414 3.607 50 30 FHEARN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccccc1F ZINC000015723909 211138751 /nfs/dbraw/zinc/13/87/51/211138751.db2.gz NVBHYZCYILVQNY-FBHDLOMBSA-N 0 0 353.357 3.982 50 30 FHEARN CCOc1cccc(C(=O)/C=C/c2cc(OC)c3c(c2OC)OCO3)c1 ZINC000015108104 211123256 /nfs/dbraw/zinc/12/32/56/211123256.db2.gz HHWKZSVXBWNDBY-CMDGGOBGSA-N 0 0 356.374 3.727 50 30 FHEARN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000014198320 211084262 /nfs/dbraw/zinc/08/42/62/211084262.db2.gz VNXBTAKYDRCOQX-SFHVURJKSA-N 0 0 357.816 3.502 50 30 FHEARN N#Cc1ccccc1CSCCNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000014141825 211078609 /nfs/dbraw/zinc/07/86/09/211078609.db2.gz VMDXWVWTVVTMMJ-UHFFFAOYSA-N 0 0 366.273 3.923 50 30 FHEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3ccccc3)C2)cc1 ZINC000013124629 211023938 /nfs/dbraw/zinc/02/39/38/211023938.db2.gz QACQTXVGMYXTPG-KKSFZXQISA-N 0 0 372.428 3.702 50 30 FHEARN CCN1C=C(C(=O)C=Cc2ccccc2)[C@H](c2ccc(OC)cc2)NC1=O ZINC000012321196 210942517 /nfs/dbraw/zinc/94/25/17/210942517.db2.gz AADJGNWQRMEIBQ-PBAKHKOTSA-N 0 0 362.429 3.948 50 30 FHEARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1ccccc1F ZINC000008993534 210812696 /nfs/dbraw/zinc/81/26/96/210812696.db2.gz HNGQDGVCRDTUII-UHFFFAOYSA-N 0 0 351.406 3.666 50 30 FHEARN CC1(C)Cc2c(C#N)c(NC(=O)NCCc3ccccc3)sc2CO1 ZINC000006719781 210690941 /nfs/dbraw/zinc/69/09/41/210690941.db2.gz RCAVNZKKIAUBPQ-UHFFFAOYSA-N 0 0 355.463 3.835 50 30 FHEARN CCOc1cc(/C=C/C(=O)c2nn(C)cc2Cl)ccc1OC(F)F ZINC000006554004 210679819 /nfs/dbraw/zinc/67/98/19/210679819.db2.gz RIGUWTWHXUBGET-GQCTYLIASA-N 0 0 356.756 3.970 50 30 FHEARN CCN(CC)C(=O)c1sc(NC(=O)c2ccccc2C)c(C#N)c1C ZINC000006046319 210652992 /nfs/dbraw/zinc/65/29/92/210652992.db2.gz FDFHTUWWMZKHBH-UHFFFAOYSA-N 0 0 355.463 3.971 50 30 FHEARN Cc1nn(C)c2c1[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005693105 210636461 /nfs/dbraw/zinc/63/64/61/210636461.db2.gz RKQXQQOGLPMJCZ-IBGZPJMESA-N 0 0 364.493 3.995 50 30 FHEARN CC1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2Br)NC(=O)N1 ZINC000005783747 210641652 /nfs/dbraw/zinc/64/16/52/210641652.db2.gz CQOAJRRMJHNRCC-MRXNPFEDSA-N 0 0 371.234 3.960 50 30 FHEARN C[C@H](Oc1ccc(Cl)cc1)C(=O)C=C1NCCc2cc3c(cc21)OCO3 ZINC000005450821 210621307 /nfs/dbraw/zinc/62/13/07/210621307.db2.gz UJCGBDPJLSMZIE-NJPLLEPOSA-N 0 0 371.820 3.592 50 30 FHEARN O=C(/C=C/c1ccccc1F)c1cc(F)ccc1OC(=O)N1CCOCC1 ZINC000004833484 210568586 /nfs/dbraw/zinc/56/85/86/210568586.db2.gz NYMZWUIRKGVGHP-FNORWQNLSA-N 0 0 373.355 3.692 50 30 FHEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccc(O)c2)C1=O ZINC000004755503 210561571 /nfs/dbraw/zinc/56/15/71/210561571.db2.gz QACUBQWCGAZUDO-PTNGSMBKSA-N 0 0 353.399 3.546 50 30 FHEARN COc1ccc(/N=C2\S/C(=C\c3ccc(F)cc3)C(=O)N2C(C)=O)cc1 ZINC000004739891 210558067 /nfs/dbraw/zinc/55/80/67/210558067.db2.gz AHGOUJSASNCLMQ-WQZDFCHPSA-N 0 0 370.405 3.985 50 30 FHEARN N#Cc1ccc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 ZINC000003316354 210465605 /nfs/dbraw/zinc/46/56/05/210465605.db2.gz SHEAHQVKXYYWDZ-UHFFFAOYSA-N 0 0 370.408 3.621 50 30 FHEARN CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1[C@@H]2c1ccc(F)cc1 ZINC000003199692 210454665 /nfs/dbraw/zinc/45/46/65/210454665.db2.gz CIAJSGNLYPKZRO-QGZVFWFLSA-N 0 0 358.438 3.845 50 30 FHEARN Cc1sc2ncnc(SCC(=O)Nc3sccc3C#N)c2c1C ZINC000002679233 210413801 /nfs/dbraw/zinc/41/38/01/210413801.db2.gz WNDWQMYUQLGZHQ-UHFFFAOYSA-N 0 0 360.489 3.972 50 30 FHEARN CCOC(=O)c1sc(/N=C/c2ccccc2O)c(C(=O)OCC)c1C ZINC000002346755 210393269 /nfs/dbraw/zinc/39/32/69/210393269.db2.gz OGFVMTCALLOKMK-VXLYETTFSA-N 0 0 361.419 3.866 50 30 FHEARN N#Cc1c2c(sc1NC(=S)NC(=O)c1ccncc1)CCCCCC2 ZINC000002316350 210390358 /nfs/dbraw/zinc/39/03/58/210390358.db2.gz DBOVMGDEQOERPR-UHFFFAOYSA-N 0 0 370.503 3.801 50 30 FHEARN CCOC(=O)c1c(/N=C/c2cc(C)ccc2O)sc2c1CCN(C)C2 ZINC000002267304 210389108 /nfs/dbraw/zinc/38/91/08/210389108.db2.gz JYALPUJRYLTSNO-KEBDBYFISA-N 0 0 358.463 3.677 50 30 FHEARN COc1ccc(CNc2oc(COc3ccc(F)cc3)nc2C#N)cc1 ZINC000002399508 210396106 /nfs/dbraw/zinc/39/61/06/210396106.db2.gz ATPOZJCPJYXNLW-UHFFFAOYSA-N 0 0 353.353 3.885 50 30 FHEARN CC(=C1C(=O)c2ccccc2C1=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000002207440 210383490 /nfs/dbraw/zinc/38/34/90/210383490.db2.gz YMYJGJWXEKRWHJ-JXMROGBWSA-N 0 0 372.468 3.671 50 30 FHEARN C#CCOc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1Br ZINC000002123446 210379798 /nfs/dbraw/zinc/37/97/98/210379798.db2.gz TVHLFMJQGFAXSF-UHFFFAOYSA-N 0 0 367.198 3.924 50 30 FHEARN C[C@H]1SC2=NC3=C(C(=O)c4ccccc43)[C@H](c3ccccc3F)N2C1=O ZINC000001407015 210350374 /nfs/dbraw/zinc/35/03/74/210350374.db2.gz FTSPFNIYQMEXCJ-QGHHPUGFSA-N 0 0 364.401 3.808 50 30 FHEARN COc1cc(C#N)c(NC(=S)NCc2cccc(Cl)c2)cc1OC ZINC000001394214 210347955 /nfs/dbraw/zinc/34/79/55/210347955.db2.gz GIKILGHQNHXUCO-UHFFFAOYSA-N 0 0 361.854 3.715 50 30 FHEARN S=C1N=NC(c2cccnc2)N1N=Cc1ccc(Cl)cc1Cl ZINC000001297837 210340694 /nfs/dbraw/zinc/34/06/94/210340694.db2.gz NGZQDPYEFJJQPX-QGMBQPNBSA-N 0 0 350.234 3.818 50 30 FHEARN CC(=O)N(c1cc(F)cc(F)c1)C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000001151099 210325707 /nfs/dbraw/zinc/32/57/07/210325707.db2.gz XIPLQIPJPZXMNG-UHFFFAOYSA-N 0 0 361.731 3.847 50 30 FHEARN Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(Br)c(C)c1 ZINC000001143758 210324369 /nfs/dbraw/zinc/32/43/69/210324369.db2.gz GXPIJCVFJXYPMH-DNTJNYDQSA-N 0 0 358.243 3.639 50 30 FHEARN CC(=O)/N=C1\NC(=O)/C(=C/c2ccc(OCc3ccccc3F)cc2)S1 ZINC000001133837 210323304 /nfs/dbraw/zinc/32/33/04/210323304.db2.gz JEDKGJQLWCGUCN-YVLHZVERSA-N 0 0 370.405 3.511 50 30 FHEARN CC(=O)O[C@H](C(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000000947890 210294180 /nfs/dbraw/zinc/29/41/80/210294180.db2.gz JQANAUKZZDFDDI-KRWDZBQOSA-N 0 0 354.431 3.741 50 30 FHEARN CC(O)=C1C(=O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccccc1 ZINC000000846450 210280618 /nfs/dbraw/zinc/28/06/18/210280618.db2.gz ZVPAYKYHGPUOQV-INIZCTEOSA-N 0 0 350.399 3.785 50 30 FHEARN CSc1ccc([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1 ZINC000020762071 220341040 /nfs/dbraw/zinc/34/10/40/220341040.db2.gz YALLSRQOZOEILL-OAHLLOKOSA-N 0 0 350.395 3.772 50 30 FHEARN N#Cc1ccc(-c2nc(-c3ccc(CNC(=O)C4CC4)s3)no2)c(F)c1 ZINC000065097169 221169128 /nfs/dbraw/zinc/16/91/28/221169128.db2.gz KQQPNOYSQXAADZ-UHFFFAOYSA-N 0 0 368.393 3.502 50 30 FHEARN N#Cc1ccc(C(=O)N2CCC[C@@H](c3cc(-c4ccccc4)n[nH]3)C2)cc1 ZINC000065267604 221190975 /nfs/dbraw/zinc/19/09/75/221190975.db2.gz XBJDAJNHYCLYHH-LJQANCHMSA-N 0 0 356.429 3.968 50 30 FHEARN N#CCSc1nc2ccsc2c(=O)n1CCc1ccc(Cl)cc1 ZINC000071327644 221342626 /nfs/dbraw/zinc/34/26/26/221342626.db2.gz TYOBTYCFRVRHLL-UHFFFAOYSA-N 0 0 361.879 3.970 50 30 FHEARN COc1cccc(-n2cc(-c3cc(-c4ccoc4)c(C#N)c(N)n3)cn2)c1 ZINC000071759302 221366778 /nfs/dbraw/zinc/36/67/78/221366778.db2.gz LBZXXBYOSBTLCE-UHFFFAOYSA-N 0 0 357.373 3.657 50 30 FHEARN COC(=O)c1cc(-c2cc(-c3ccc(O)c(C)c3)c(C#N)c(N)n2)c(C)o1 ZINC000071661701 221354414 /nfs/dbraw/zinc/35/44/14/221354414.db2.gz QBCNGWYRDPPNOY-UHFFFAOYSA-N 0 0 363.373 3.572 50 30 FHEARN COC(=O)O[C@@H]1C=CC(=O)[C@@H](C2c3ccccc3CCc3ccccc32)O1 ZINC000071769414 221374234 /nfs/dbraw/zinc/37/42/34/221374234.db2.gz SBYGZTOCAMEYRE-CTNGQTDRSA-N 0 0 364.397 3.550 50 30 FHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000071871347 221384672 /nfs/dbraw/zinc/38/46/72/221384672.db2.gz DQYMBFTYUCIZPT-UHFFFAOYSA-N 0 0 373.412 3.886 50 30 FHEARN N#Cc1ccc(N2CCN(Cc3ccccc3)CC2)c(Br)c1 ZINC000095081275 132206576 /nfs/dbraw/zinc/20/65/76/132206576.db2.gz VYNWSHLQKKESMT-UHFFFAOYSA-N 0 0 356.267 3.643 50 30 FHEARN N#Cc1ccc(N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c(F)c1 ZINC000005051080 132256326 /nfs/dbraw/zinc/25/63/26/132256326.db2.gz PVEDLHZUVVAWQH-UHFFFAOYSA-N 0 0 367.468 3.562 50 30 FHEARN C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)C(C)C)sc3C)cc21 ZINC000019820209 132373847 /nfs/dbraw/zinc/37/38/47/132373847.db2.gz GDPBWHNHZPIQQX-UHFFFAOYSA-N 0 0 371.462 3.624 50 30 FHEARN C=CCOc1ccc([C@H]2CC(=O)N(c3ccccc3)C3=C2C(=O)OC3)cc1 ZINC000035143147 132374469 /nfs/dbraw/zinc/37/44/69/132374469.db2.gz YUYFXZTVWKLNPG-GOSISDBHSA-N 0 0 361.397 3.583 50 30 FHEARN CC1CCN(c2ccc(C(=O)Nc3cccc(C#N)c3)cc2[N+](=O)[O-])CC1 ZINC000004895543 132825158 /nfs/dbraw/zinc/82/51/58/132825158.db2.gz SJCUPPGIPGFFGC-UHFFFAOYSA-N 0 0 364.405 3.955 50 30 FHEARN N#Cc1c2[nH]c3ccccc3n2c(=O)cc1CN1CCCc2ccccc21 ZINC000024678499 132911936 /nfs/dbraw/zinc/91/19/36/132911936.db2.gz YYHBNDPAHCVBQJ-QGZVFWFLSA-N 0 0 354.413 3.676 50 30 FHEARN N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000032806333 132926573 /nfs/dbraw/zinc/92/65/73/132926573.db2.gz OOFAGPSMLMTSAX-GFCCVEGCSA-N 0 0 365.418 3.855 50 30 FHEARN N#Cc1ccc(C(=O)Nc2ccc3c(c2)ncnc3N2CCCCC2)cc1 ZINC000065134998 136135036 /nfs/dbraw/zinc/13/50/36/136135036.db2.gz ZVKLLENTTHOVMX-UHFFFAOYSA-N 0 0 357.417 3.744 50 30 FHEARN N#Cc1cccc(C(=O)Nc2ccc3ncnc(N4CCCCC4)c3c2)c1 ZINC000065149107 136135108 /nfs/dbraw/zinc/13/51/08/136135108.db2.gz SANMQAANKKXGOM-UHFFFAOYSA-N 0 0 357.417 3.744 50 30 FHEARN O=C(/C=C\c1cc(Br)cs1)c1ccc2c(c1)NC(=O)CO2 ZINC000096920158 222140265 /nfs/dbraw/zinc/14/02/65/222140265.db2.gz SPNRVOWZNLGXMQ-IHWYPQMZSA-N 0 0 364.220 3.738 50 30 FHEARN N#Cc1ccccc1/C=C\C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 ZINC000096930913 222142876 /nfs/dbraw/zinc/14/28/76/222142876.db2.gz FUYXQOPYKXXKMV-IBHIWXBSSA-N 0 0 360.413 3.706 50 30 FHEARN CC(C)NC(=O)Nc1ccc(C(=O)/C=C\c2ccc3c(c2)OCCO3)cc1 ZINC000097053798 222155937 /nfs/dbraw/zinc/15/59/37/222155937.db2.gz ATJDAJWHLUPYLL-OQFOIZHKSA-N 0 0 366.417 3.884 50 30 FHEARN CC1(C)CC(=O)C(C(c2ccncc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100131713 222235675 /nfs/dbraw/zinc/23/56/75/222235675.db2.gz ZTFXSAITONWPBY-GOSISDBHSA-N 0 0 369.461 3.941 50 30 FHEARN CC/N=C1\S/C(=C/c2cccn2-c2ccc(OC)cc2)C(=O)N1CC ZINC000100248981 222239330 /nfs/dbraw/zinc/23/93/30/222239330.db2.gz CTTXVUORKGUYPK-YWKYIXQJSA-N 0 0 355.463 3.798 50 30 FHEARN Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1/C=N/c1cccc(N(C)C)c1 ZINC000100312037 222241924 /nfs/dbraw/zinc/24/19/24/222241924.db2.gz WEPFQBNFQCCONA-ZMOGYAJESA-N 0 0 369.428 3.778 50 30 FHEARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000100495265 222244714 /nfs/dbraw/zinc/24/47/14/222244714.db2.gz DXQSTFWBDSBMTH-GOSISDBHSA-N 0 0 354.450 3.637 50 30 FHEARN CC1=C(C(=O)OC(C)C)[C@H](c2cccnc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000100495263 222245514 /nfs/dbraw/zinc/24/55/14/222245514.db2.gz DXQSTFWBDSBMTH-SFHVURJKSA-N 0 0 354.450 3.637 50 30 FHEARN CC1(C)CC(=O)C(=CNc2cc(C(=O)c3ccccc3)ccc2N)C(=O)C1 ZINC000100564902 222246353 /nfs/dbraw/zinc/24/63/53/222246353.db2.gz NDFUUDKIAPGGDK-UHFFFAOYSA-N 0 0 362.429 3.754 50 30 FHEARN Cc1ccc2oc(=O)c(CC(=O)c3ccc(Br)cc3)nc2c1 ZINC000100820609 222253602 /nfs/dbraw/zinc/25/36/02/222253602.db2.gz AKOBLMWLPLKJOB-NTEUORMPSA-N 0 0 358.191 3.855 50 30 FHEARN Cc1ccc2oc(=O)c(CC(=O)c3cccc(Br)c3)nc2c1 ZINC000100820621 222253866 /nfs/dbraw/zinc/25/38/66/222253866.db2.gz ZGGCXXSRNRIUHB-NTEUORMPSA-N 0 0 358.191 3.855 50 30 FHEARN CC1(C)CC(=O)C(I)=C(NCc2ccccc2)C1 ZINC000100943389 222257542 /nfs/dbraw/zinc/25/75/42/222257542.db2.gz HLPPZKUKAACSCP-UHFFFAOYSA-N 0 0 355.219 3.812 50 30 FHEARN COc1cc2c(cc1OC)-c1cc(-c3cccs3)c(C#N)c(=N)n1CC2 ZINC000101369841 222271411 /nfs/dbraw/zinc/27/14/11/222271411.db2.gz YENJWRZYSOPYDM-UHFFFAOYSA-N 0 0 363.442 3.808 50 30 FHEARN O=C(C=C1NCCc2cc3c(cc21)OCCCO3)c1cccc(Cl)c1 ZINC000101370648 222271438 /nfs/dbraw/zinc/27/14/38/222271438.db2.gz FQNTUNXXOHNNQC-SFQUDFHCSA-N 0 0 355.821 3.871 50 30 FHEARN CCCCCCCOC(=O)[C@H](C#N)[C@@H](c1c(C)[nH][nH]c1=O)c1ccccc1 ZINC000102758773 222307678 /nfs/dbraw/zinc/30/76/78/222307678.db2.gz YQUYDXZBSKSRRB-QYZOEREBSA-N 0 0 369.465 3.545 50 30 FHEARN COc1cc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C#N)cnn32)ccc1O ZINC000102831742 222310733 /nfs/dbraw/zinc/31/07/33/222310733.db2.gz FMJHAAJXBLRQSH-SFHVURJKSA-N 0 0 364.405 3.777 50 30 FHEARN CN(/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000104750870 222361476 /nfs/dbraw/zinc/36/14/76/222361476.db2.gz IYTNMNAZVDVEBJ-MRCUWXFGSA-N 0 0 350.443 3.959 50 30 FHEARN CCC(=O)Nc1ccc(C2=NN(C)/C(=N/Cc3ccccc3)SC2)cc1 ZINC000105785872 222376831 /nfs/dbraw/zinc/37/68/31/222376831.db2.gz MSSJGZMRGCCCEI-MRCUWXFGSA-N 0 0 366.490 3.974 50 30 FHEARN C=CCn1c(SC[C@@H]2CCCCO2)nc2sc(CC)cc2c1=O ZINC000003318893 263328806 /nfs/dbraw/zinc/32/88/06/263328806.db2.gz BQSOLAPQSKWPCN-LBPRGKRZSA-N 0 0 350.509 3.868 50 30 FHEARN O=C(C#Cc1ccccc1)NCCOc1ccccc1Cc1ccccc1 ZINC000004698397 263336528 /nfs/dbraw/zinc/33/65/28/263336528.db2.gz CSBVQGIIPOUXKB-UHFFFAOYSA-N 0 0 355.437 3.824 50 30 FHEARN C=CCOc1cccc(C(=O)NC[C@@H]2CC(Cc3cccc(F)c3)=NO2)c1 ZINC000011967760 263368885 /nfs/dbraw/zinc/36/88/85/263368885.db2.gz XDEBLGZSBYVMDE-FQEVSTJZSA-N 0 0 368.408 3.508 50 30 FHEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1ccc(F)cc1 ZINC000018210178 263373173 /nfs/dbraw/zinc/37/31/73/263373173.db2.gz UUDCNABCMBBDAQ-UNOMPAQXSA-N 0 0 353.393 3.863 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000019772323 263376555 /nfs/dbraw/zinc/37/65/55/263376555.db2.gz RTBXOPCSZVYUGQ-INIZCTEOSA-N 0 0 365.351 3.846 50 30 FHEARN N#CC1(NC(=O)COC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)CCCCCC1 ZINC000051797833 263408385 /nfs/dbraw/zinc/40/83/85/263408385.db2.gz ZRYHUZKGKSECBH-ZIAGYGMSSA-N 0 0 374.403 3.631 50 30 FHEARN C/C(=N\OC(=O)CCC(=O)O/N=C(/C)c1cccs1)c1cccs1 ZINC000017185901 518469009 /nfs/dbraw/zinc/46/90/09/518469009.db2.gz QEKLOJCALJWSAO-MJZABRMRSA-N 0 0 364.448 3.824 50 30 FHEARN C=C(C)COc1cccc(NC(=O)N[C@H](CC(C)C)c2ncnn2C)c1 ZINC000096133773 518620985 /nfs/dbraw/zinc/62/09/85/518620985.db2.gz DNGJYCICDCQLSI-QGZVFWFLSA-N 0 0 357.458 3.679 50 30 FHEARN C=C(C)COc1ccccc1C(=O)NCc1noc(-c2cccs2)n1 ZINC000055357717 518621739 /nfs/dbraw/zinc/62/17/39/518621739.db2.gz VJQKAKWMKSBACU-UHFFFAOYSA-N 0 0 355.419 3.683 50 30 FHEARN C=CCN(Cc1ccc(Cl)s1)Cc1cc(=O)n2c(C)csc2n1 ZINC000023653282 518780284 /nfs/dbraw/zinc/78/02/84/518780284.db2.gz ZCADQBPBHFQIJL-UHFFFAOYSA-N 0 0 365.911 3.968 50 30 FHEARN C=CCN(Cc1ccc(Cl)s1)C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000032505037 518781175 /nfs/dbraw/zinc/78/11/75/518781175.db2.gz LJOXWLAVRXPDCX-OAHLLOKOSA-N 0 0 361.850 3.698 50 30 FHEARN C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)CC(C)(C)C ZINC000007759662 518798141 /nfs/dbraw/zinc/79/81/41/518798141.db2.gz AVAKXGMWSYODBG-UHFFFAOYSA-N 0 0 373.453 3.705 50 30 FHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)COc1ccccc1C ZINC000007720962 518798868 /nfs/dbraw/zinc/79/88/68/518798868.db2.gz MQRRINXMFKXQII-UHFFFAOYSA-N 0 0 363.417 3.639 50 30 FHEARN C=CCN1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O ZINC000002338205 518871129 /nfs/dbraw/zinc/87/11/29/518871129.db2.gz ICCTZJXFYUCIOA-KRWDZBQOSA-N 0 0 361.445 3.617 50 30 FHEARN C=CCNC(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000023596017 518898344 /nfs/dbraw/zinc/89/83/44/518898344.db2.gz SIQIOLQKKDQQBH-UHFFFAOYSA-N 0 0 359.451 3.892 50 30 FHEARN C=CCNC(=S)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000004180485 518948812 /nfs/dbraw/zinc/94/88/12/518948812.db2.gz MXZVJGKJQPOABA-UHFFFAOYSA-N 0 0 356.491 3.767 50 30 FHEARN C=CCNc1nnc(S[C@H](C)C(=O)NCCC2=CCCCC2)s1 ZINC000005784145 518968176 /nfs/dbraw/zinc/96/81/76/518968176.db2.gz CJZRAAUUYSGZKX-GFCCVEGCSA-N 0 0 352.529 3.623 50 30 FHEARN C=CCOc1ccc(CN2CCC[C@@H]2c2nonc2C)c(OCC=C)c1 ZINC000055341381 519034212 /nfs/dbraw/zinc/03/42/12/519034212.db2.gz ATHUMBJOJZGNIF-GOSISDBHSA-N 0 0 355.438 3.845 50 30 FHEARN CC(C)(C)c1ccc(OCCOc2ccccc2/C=N/n2cnnc2)cc1 ZINC000002961518 519042681 /nfs/dbraw/zinc/04/26/81/519042681.db2.gz GAZPRIHBMINNAA-ZVHZXABRSA-N 0 0 364.449 3.916 50 30 FHEARN C=CCOc1ccccc1NC(=O)N1CCC(Oc2cccnc2)CC1 ZINC000299763605 519072656 /nfs/dbraw/zinc/07/26/56/519072656.db2.gz PBFMYWNFSPHMSA-UHFFFAOYSA-N 0 0 353.422 3.722 50 30 FHEARN C=CCSc1nnc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)s1 ZINC000009494182 519091089 /nfs/dbraw/zinc/09/10/89/519091089.db2.gz YDYPEUOTASUOAU-UHFFFAOYSA-N 0 0 374.495 3.703 50 30 FHEARN C=CCc1ccc(OCCCn2cnc3ccccc3c2=O)c(OC)c1 ZINC000002863273 519137584 /nfs/dbraw/zinc/13/75/84/519137584.db2.gz MTZCACOBRKEIFL-UHFFFAOYSA-N 0 0 350.418 3.603 50 30 FHEARN C=CCn1c(=O)c2c(C3CC3)csc2nc1SCC(=O)c1ccc[nH]1 ZINC000009481151 519154160 /nfs/dbraw/zinc/15/41/60/519154160.db2.gz VZMYTGKRCQTGQA-UHFFFAOYSA-N 0 0 371.487 3.825 50 30 FHEARN C=CCn1c(CN(C)Cc2cccc(C)n2)nnc1SCC(=C)Cl ZINC000014989549 519179577 /nfs/dbraw/zinc/17/95/77/519179577.db2.gz NFELIXDKGSYQCQ-UHFFFAOYSA-N 0 0 363.918 3.644 50 30 FHEARN C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nnc1-c1ccncc1 ZINC000006907724 519252124 /nfs/dbraw/zinc/25/21/24/519252124.db2.gz UFGKNKALAUSVDW-AWEZNQCLSA-N 0 0 365.462 3.645 50 30 FHEARN C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1-c1ccncc1 ZINC000006907725 519258081 /nfs/dbraw/zinc/25/80/81/519258081.db2.gz UFGKNKALAUSVDW-CQSZACIVSA-N 0 0 365.462 3.645 50 30 FHEARN C=CCn1cc(/C=N\NS(=O)(=O)c2ccc(C)c(C)c2)c2ccccc21 ZINC000032577551 519275241 /nfs/dbraw/zinc/27/52/41/519275241.db2.gz ANGUMWUJNXVBNZ-BKUYFWCQSA-N 0 0 367.474 3.757 50 30 FHEARN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]21C ZINC000253501768 519758340 /nfs/dbraw/zinc/75/83/40/519758340.db2.gz QXTWZEGENLVVRE-CYRMBFQRSA-N 0 0 368.473 3.961 50 30 FHEARN CCCCCOc1ccc([C@@H]2C(C(C)=O)C(C)=Nc3ncnn32)cc1OC ZINC000013125224 520256841 /nfs/dbraw/zinc/25/68/41/520256841.db2.gz SKAIHRKSQHDYOZ-LJQANCHMSA-N 0 0 370.453 3.734 50 30 FHEARN CCCOc1ccc(/C=N/N2CCN(c3ccccc3OC)CC2)cc1 ZINC000002226618 520321558 /nfs/dbraw/zinc/32/15/58/520321558.db2.gz VTUKCOHSVZGCHX-OQKWZONESA-N 0 0 353.466 3.640 50 30 FHEARN CCCOc1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC ZINC000007333681 520321948 /nfs/dbraw/zinc/32/19/48/520321948.db2.gz FOVOUIKODUVQPH-QPJJXVBHSA-N 0 0 367.401 3.711 50 30 FHEARN CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccccc2C#N)C1=O ZINC000008429760 521122801 /nfs/dbraw/zinc/12/28/01/521122801.db2.gz CSRGAPXQGRCWTE-NRFANRHFSA-N 0 0 365.408 3.835 50 30 FHEARN CCOc1ccc([C@H](C)NC(=O)CCc2c(C)nn(CCC#N)c2C)cc1 ZINC000025049099 521252303 /nfs/dbraw/zinc/25/23/03/521252303.db2.gz ZLXLIIDTMULNQS-HNNXBMFYSA-N 0 0 368.481 3.622 50 30 FHEARN CCOc1ccccc1/C=C\C(=O)c1ccc(N2CCOCC2)c(F)c1 ZINC000096765519 521447322 /nfs/dbraw/zinc/44/73/22/521447322.db2.gz XKUSTVZPOLREJG-NTMALXAHSA-N 0 0 355.409 3.957 50 30 FHEARN CCOC(=O)c1noc(C)c1-c1csc(N=NCc2ccccc2)n1 ZINC000004394527 521606821 /nfs/dbraw/zinc/60/68/21/521606821.db2.gz WMDYROSPLDTYCP-GIJQJNRQSA-N 0 0 356.407 3.729 50 30 FHEARN CC[C@@H](C#N)NC(=O)c1cc(-c2cccs2)nc2c1cnn2C(C)C ZINC000060342129 521801365 /nfs/dbraw/zinc/80/13/65/521801365.db2.gz PILYTQDPRCQQNI-LBPRGKRZSA-N 0 0 353.451 3.773 50 30 FHEARN CC[C@H](C)c1ccc(S(=O)(=O)N/N=C/c2cc(Cl)ccc2O)cc1 ZINC000017075366 522042252 /nfs/dbraw/zinc/04/22/52/522042252.db2.gz MONBCPSRXDYPCK-MKFNJMOCSA-N 0 0 366.870 3.872 50 30 FHEARN COCC#CCSc1nnc(-c2cccs2)n1Cc1ccccc1 ZINC000089409632 522713166 /nfs/dbraw/zinc/71/31/66/522713166.db2.gz KZIRLANBWNNLPJ-UHFFFAOYSA-N 0 0 355.488 3.797 50 30 FHEARN COc1ccc(/C=N/NC(N)=S)cc1OCc1cccc2ccccc21 ZINC000000979636 523444620 /nfs/dbraw/zinc/44/46/20/523444620.db2.gz BHTRWICHTZKREO-WSDLNYQXSA-N 0 0 365.458 3.595 50 30 FHEARN CCn1cnnc1S[C@H](C)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000096931260 523597246 /nfs/dbraw/zinc/59/72/46/523597246.db2.gz JPPPKNZOHBINCA-GPLLRDDGSA-N 0 0 356.495 3.659 50 30 FHEARN COc1ccc(C(=O)ONC(=N)Cc2ccc(Cl)cc2Cl)cc1 ZINC000004812567 523768404 /nfs/dbraw/zinc/76/84/04/523768404.db2.gz BEUHMJKGWBHUJK-UHFFFAOYSA-N 0 0 353.205 3.674 50 30 FHEARN C[C@@H]1CCc2c(C(=O)OCC(=O)N(C)C3(C#N)CCCCC3)csc2C1 ZINC000008669699 524722959 /nfs/dbraw/zinc/72/29/59/524722959.db2.gz SZBGYCMZYPXQAR-CQSZACIVSA-N 0 0 374.506 3.715 50 30 FHEARN Cc1cccc2c(C)cc(SCC(=O)N(CCC#N)CCC#N)nc12 ZINC000009762654 524929638 /nfs/dbraw/zinc/92/96/38/524929638.db2.gz VDMNIGVAKWKNMO-UHFFFAOYSA-N 0 0 352.463 3.600 50 30 FHEARN COc1ccc2c(c1)CCC/C2=N\OC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000015686249 525510183 /nfs/dbraw/zinc/51/01/83/525510183.db2.gz AMKNKIKTAKVVBI-CAPFRKAQSA-N 0 0 370.361 3.509 50 30 FHEARN Cc1ccc(S(=O)(=O)OCC/C=C\CCCO[C@H]2CCCCO2)cc1 ZINC000043761494 525621023 /nfs/dbraw/zinc/62/10/23/525621023.db2.gz HYUWKPPUUIRJQQ-VSERLBFKSA-N 0 0 368.495 3.970 50 30 FHEARN C[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)c1ccc(Cl)cc1 ZINC000004828088 525894094 /nfs/dbraw/zinc/89/40/94/525894094.db2.gz AAAFKGHMLYMVJD-GFCCVEGCSA-N 0 0 370.792 3.620 50 30 FHEARN Cc1ccc(CN=Nc2nnc(SCc3ccccc3Cl)n2N)cc1 ZINC000020807002 525965787 /nfs/dbraw/zinc/96/57/87/525965787.db2.gz XDOSUARYQZWBJV-KEBDBYFISA-N 0 0 372.885 3.692 50 30 FHEARN O=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1ccccc1 ZINC000002240228 526416241 /nfs/dbraw/zinc/41/62/41/526416241.db2.gz XGHRRSWFWLPVEM-UHFFFAOYSA-N 0 0 350.399 3.689 50 30 FHEARN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)C2CC2)[C@H]1c1ccco1 ZINC000239310102 526431410 /nfs/dbraw/zinc/43/14/10/526431410.db2.gz IBMRZRRRACSWAL-VAMGGRTRSA-N 0 0 355.397 3.660 50 30 FHEARN N#CCC(=O)Nc1ccc(C(=O)OCc2coc(-c3cccs3)n2)cc1 ZINC000004828079 526442600 /nfs/dbraw/zinc/44/26/00/526442600.db2.gz LUQLDFLHMKJIBH-UHFFFAOYSA-N 0 0 367.386 3.612 50 30 FHEARN N#CCCN(CCC#N)C(=O)CSc1nc2cc(Cl)ccc2s1 ZINC000005780475 526454522 /nfs/dbraw/zinc/45/45/22/526454522.db2.gz OCHVPRNGLHEFOV-UHFFFAOYSA-N 0 0 364.883 3.698 50 30 FHEARN N#CCCSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 ZINC000004365767 526464075 /nfs/dbraw/zinc/46/40/75/526464075.db2.gz BRWIXTFLOZNRDY-UHFFFAOYSA-N 0 0 364.430 3.728 50 30 FHEARN N#CCN(C(=O)COc1ccc(Br)cc1F)c1ccccc1 ZINC000021276167 526469181 /nfs/dbraw/zinc/46/91/81/526469181.db2.gz STBQMFMSMBTDNU-UHFFFAOYSA-N 0 0 363.186 3.524 50 30 FHEARN O=S(=O)(N/N=C\c1ccc(-c2ccccc2Cl)o1)c1ccccc1 ZINC000013108687 527203216 /nfs/dbraw/zinc/20/32/16/527203216.db2.gz NMHUJRNAZBKVGE-UNOMPAQXSA-N 0 0 360.822 3.912 50 30 FHEARN O=C(/C=C/c1ccc(OCCO)cc1Br)c1ccc(F)cc1 ZINC000011287182 527617023 /nfs/dbraw/zinc/61/70/23/527617023.db2.gz QALQQWJWBRQVLN-XBXARRHUSA-N 0 0 365.198 3.855 50 30 FHEARN O=C(/C=C/c1cccc(F)c1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000005155855 527625965 /nfs/dbraw/zinc/62/59/65/527625965.db2.gz CSOMUUXMSPXHFP-KPKJPENVSA-N 0 0 373.449 3.896 50 30 FHEARN CCN1CC2(CCN(c3cc(C#N)ccn3)CC2)C[C@@H](c2ccccc2)C1=O ZINC000091645864 535443406 /nfs/dbraw/zinc/44/34/06/535443406.db2.gz XBPCCFUDOBRLFM-FQEVSTJZSA-N 0 0 374.488 3.576 50 30 FHEARN CCN1c2cc(C(=O)Nc3cccc(C#N)c3)ccc2C(=O)N2CCCC[C@@H]12 ZINC000097161347 535784806 /nfs/dbraw/zinc/78/48/06/535784806.db2.gz VYUGORKCQLPXFD-FQEVSTJZSA-N 0 0 374.444 3.603 50 30 FHEARN CCn1cc(-c2c(C#N)c(N)nc3c2CN(c2cccc(C)c2)CC3)c(C)n1 ZINC000072128381 536011370 /nfs/dbraw/zinc/01/13/70/536011370.db2.gz RXNDIWSVIGQVFI-UHFFFAOYSA-N 0 0 372.476 3.598 50 30 FHEARN COc1ccc(-c2nc(-c3ccccc3)nc(N3CCOCC3)c2C#N)cc1 ZINC000003041131 536505230 /nfs/dbraw/zinc/50/52/30/536505230.db2.gz LEQUDLVARYSTGX-UHFFFAOYSA-N 0 0 372.428 3.527 50 30 FHEARN Cc1nn(-c2ccccc2)c(COC(=O)c2ccc(Cl)c(N)c2)c1C#N ZINC000012260697 567980114 /nfs/dbraw/zinc/98/01/14/567980114.db2.gz SBHDAZMWUPSWDH-UHFFFAOYSA-N 0 0 366.808 3.645 50 30 FHEARN COC[C@H](C)n1c(SCc2cccc(C#N)c2)nc2ccccc2c1=O ZINC000024754977 568079070 /nfs/dbraw/zinc/07/90/70/568079070.db2.gz SMNSAWDLAJFFFJ-AWEZNQCLSA-N 0 0 365.458 3.768 50 30 FHEARN N#Cc1cccc(C(=O)N2CCc3[nH]c(-c4ccc(Cl)cc4)nc3C2)c1 ZINC000215831938 568091330 /nfs/dbraw/zinc/09/13/30/568091330.db2.gz FDOKOGBPNAUEJW-UHFFFAOYSA-N 0 0 362.820 3.800 50 30 FHEARN CCOc1ccc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012347504 568282869 /nfs/dbraw/zinc/28/28/69/568282869.db2.gz RPQLNUCFPVDNBT-HNNXBMFYSA-N 0 0 353.422 3.715 50 30 FHEARN CCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000095707712 570470941 /nfs/dbraw/zinc/47/09/41/570470941.db2.gz RSWKGRCCLAUGLO-UHFFFAOYSA-N 0 0 374.121 3.991 50 30 FHEARN COc1cccc(Oc2ccc(NC(=O)N3CCC[C@@H](C#N)C3)cn2)c1 ZINC000096180872 570478896 /nfs/dbraw/zinc/47/88/96/570478896.db2.gz VPBQOSQYJWAMTA-AWEZNQCLSA-N 0 0 352.394 3.650 50 30 FHEARN COc1ccc(NC(=S)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000002506343 570522690 /nfs/dbraw/zinc/52/26/90/570522690.db2.gz BLJISOUQLVGPCW-RQZCQDPDSA-N 0 0 364.814 3.577 50 30 FHEARN CC(=O)N1CCc2nc(N)c(C#N)c(-c3ccccc3-c3ccc(C)o3)c2C1 ZINC000072166667 570526349 /nfs/dbraw/zinc/52/63/49/570526349.db2.gz RDPSHNUVVNGBMG-UHFFFAOYSA-N 0 0 372.428 3.676 50 30 FHEARN C=CCOc1ccc2ccccc2c1/C=N/NS(=O)(=O)c1ccccc1 ZINC000002901899 570543680 /nfs/dbraw/zinc/54/36/80/570543680.db2.gz PFCHBZNWDKJWMF-RCCKNPSSSA-N 0 0 366.442 3.717 50 30 FHEARN Cc1ccc(S(=O)(=O)N=C2C=C(C(C)C)C(=O)C(Cl)=C2C)cc1 ZINC000002978927 570546031 /nfs/dbraw/zinc/54/60/31/570546031.db2.gz WRWRNLJDEPGTRT-XDJHFCHBSA-N 0 0 351.855 3.803 50 30 FHEARN NC1=C(c2nc(-c3ccc(F)cc3)cs2)C(=O)CN1c1cccc(F)c1 ZINC000034769554 570553214 /nfs/dbraw/zinc/55/32/14/570553214.db2.gz GGRMXEGHSWBXNA-UHFFFAOYSA-N 0 0 369.396 3.805 50 30 FHEARN Cc1c(/N=C/c2ccccc2OC(F)F)c(=O)n(-c2ccccc2)n1C ZINC000003189415 570553958 /nfs/dbraw/zinc/55/39/58/570553958.db2.gz WSIGXUAHUVXQSK-WSDLNYQXSA-N 0 0 357.360 3.836 50 30 FHEARN C=CCN1C(=O)[C@@H](Cc2ccc(F)cc2)S/C1=N/N=C/c1cccs1 ZINC000004936174 570562353 /nfs/dbraw/zinc/56/23/53/570562353.db2.gz POVNOQUCOMZKBQ-ZEOVRSRCSA-N 0 0 373.478 3.950 50 30 FHEARN CC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(OC)cc2)C1=O ZINC000004937859 570562471 /nfs/dbraw/zinc/56/24/71/570562471.db2.gz NRBHCSIBRSJHSG-QPNCIOBRSA-N 0 0 357.435 3.532 50 30 FHEARN CCOC(=O)C1=C(c2ccccc2)NC(=S)C(C#N)[C@@H]1c1ccccc1 ZINC000003883679 570570255 /nfs/dbraw/zinc/57/02/55/570570255.db2.gz PZWSRGFTFGHOTK-IRXDYDNUSA-N 0 0 362.454 3.815 50 30 FHEARN COc1ccc([C@@H]2C[C@@H]([C@H]3C(=O)CCC[C@H]3O)C3=C(CCCC3=O)O2)cc1 ZINC000004114497 570576836 /nfs/dbraw/zinc/57/68/36/570576836.db2.gz QRSLYQPONMQITO-LXDRIQHSSA-N 0 0 370.445 3.510 50 30 FHEARN O=C1C=CC(=O)N1c1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000005034868 570577859 /nfs/dbraw/zinc/57/78/59/570577859.db2.gz KBMUCNUWLVOZHN-UHFFFAOYSA-N 0 0 373.249 3.999 50 30 FHEARN C=CCN1C(=O)S/C(=C\c2cc(Cl)c(OC)c(OCC)c2)C1=O ZINC000033734262 570580179 /nfs/dbraw/zinc/58/01/79/570580179.db2.gz BBKSGEGQZIMOMT-LCYFTJDESA-N 0 0 353.827 3.970 50 30 FHEARN COc1ccc(CN2C(=O)[C@H](C)S/C2=N\N=C\c2ccc(C)cc2)cc1 ZINC000033777391 570583204 /nfs/dbraw/zinc/58/32/04/570583204.db2.gz UONTWVWACGFWRX-VORLENPISA-N 0 0 367.474 3.858 50 30 FHEARN CC(=O)c1ccc(OCCCC(=O)OCc2ccc(C#N)cc2F)cc1 ZINC000011769973 570594553 /nfs/dbraw/zinc/59/45/53/570594553.db2.gz QYNUBGVLECHYRO-UHFFFAOYSA-N 0 0 355.365 3.802 50 30 FHEARN COCCN1C(=O)/C(=C/c2ccccc2OC)S/C1=N\c1ccccc1 ZINC000004696361 570601345 /nfs/dbraw/zinc/60/13/45/570601345.db2.gz WPUHOCMHUOPLIV-PTPABZONSA-N 0 0 368.458 3.946 50 30 FHEARN CC(=O)N(c1ccccc1C)C1=C(N2CCCC2)C(=O)c2ccccc2C1=O ZINC000004819491 570608308 /nfs/dbraw/zinc/60/83/08/570608308.db2.gz JBLPMEDGZHVBMY-UHFFFAOYSA-N 0 0 374.440 3.735 50 30 FHEARN O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000004913886 570613721 /nfs/dbraw/zinc/61/37/21/570613721.db2.gz NZADYMNDCSKBCT-OCCSQVGLSA-N 0 0 368.414 3.661 50 30 FHEARN COc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2 ZINC000004914478 570613733 /nfs/dbraw/zinc/61/37/33/570613733.db2.gz CNGDWXXYKYMNOX-RHSMWYFYSA-N 0 0 365.404 3.839 50 30 FHEARN O=C1C[C@@H](c2ccc(F)cc2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004914681 570613976 /nfs/dbraw/zinc/61/39/76/570613976.db2.gz BTAMLTLRATZKSX-YOEHRIQHSA-N 0 0 353.368 3.969 50 30 FHEARN O=C1C[C@@H](c2ccccc2F)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004914742 570613980 /nfs/dbraw/zinc/61/39/80/570613980.db2.gz SICBPJSPPOLFLU-CJNGLKHVSA-N 0 0 353.368 3.969 50 30 FHEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C)cc1 ZINC000005445504 570627361 /nfs/dbraw/zinc/62/73/61/570627361.db2.gz OZHCKTMDKVXHJN-MRXNPFEDSA-N 0 0 357.793 3.557 50 30 FHEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C)cc1 ZINC000005445537 570627453 /nfs/dbraw/zinc/62/74/53/570627453.db2.gz OZHCKTMDKVXHJN-INIZCTEOSA-N 0 0 357.793 3.557 50 30 FHEARN COc1ccc(OC)c(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 ZINC000005172587 570628072 /nfs/dbraw/zinc/62/80/72/570628072.db2.gz MPHZYKJGNYUKOC-UHFFFAOYSA-N 0 0 371.462 3.627 50 30 FHEARN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)cc1 ZINC000005245804 570639494 /nfs/dbraw/zinc/63/94/94/570639494.db2.gz YXWSFIGAPDDQRB-IERDGZPVSA-N 0 0 372.428 3.702 50 30 FHEARN N#Cc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCC3)cc1Cl ZINC000005308216 570646621 /nfs/dbraw/zinc/64/66/21/570646621.db2.gz BIKJZFOVDVPNIG-UHFFFAOYSA-N 0 0 360.822 3.557 50 30 FHEARN Cc1nc2sc3c(c2c(NN=C2c4ccccc4NC2=O)n1)CCCC3 ZINC000004952713 570673812 /nfs/dbraw/zinc/67/38/12/570673812.db2.gz JHWZEUGDXDYIQV-UHFFFAOYSA-N 0 0 363.446 3.647 50 30 FHEARN COc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(OC)c(OC)c3)S2)c1 ZINC000005583120 570678028 /nfs/dbraw/zinc/67/80/28/570678028.db2.gz YFKQIAPAIVTESL-YVLHZVERSA-N 0 0 370.430 3.604 50 30 FHEARN CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(C)cc(C)c2C#N)cc1 ZINC000005641855 570683649 /nfs/dbraw/zinc/68/36/49/570683649.db2.gz RCLCRUIIZAJHTO-AWEZNQCLSA-N 0 0 353.447 3.892 50 30 FHEARN Cc1cc(C)c(C#N)c(SCC(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)n1 ZINC000005643445 570683677 /nfs/dbraw/zinc/68/36/77/570683677.db2.gz GRGFVKTYTZCQEK-LBPRGKRZSA-N 0 0 371.428 3.852 50 30 FHEARN O=C1C[C@@H](c2ccco2)CC2=Nc3ncnn3[C@@H](c3cc(F)cc(F)c3)C12 ZINC000008743660 570687109 /nfs/dbraw/zinc/68/71/09/570687109.db2.gz XOMIKTJMVYGCFX-YPMLDQLKSA-N 0 0 368.343 3.565 50 30 FHEARN CC(=O)N[C@H](Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl ZINC000004321684 570695695 /nfs/dbraw/zinc/69/56/95/570695695.db2.gz HYHZYFKITSMITF-GFCCVEGCSA-N 0 0 366.701 3.743 50 30 FHEARN CCOC(=O)COc1nc(-c2cccs2)cc(-c2ccco2)c1C#N ZINC000004334745 570702605 /nfs/dbraw/zinc/70/26/05/570702605.db2.gz YQTFOAMBMLYKSG-UHFFFAOYSA-N 0 0 354.387 3.884 50 30 FHEARN CC/N=C1\S/C(=C\c2cn(C(C)=O)nc2-c2ccccc2)C(=O)N1CC ZINC000012402011 570742273 /nfs/dbraw/zinc/74/22/73/570742273.db2.gz FHVOWLZADYKQMF-CMLHKUKGSA-N 0 0 368.462 3.522 50 30 FHEARN Cc1ccc(/N=C2/C(=O)Nc3ccccc32)cc1I ZINC000012462346 570747609 /nfs/dbraw/zinc/74/76/09/570747609.db2.gz LFCSUVPOKKDSMK-UHFFFAOYSA-N 0 0 362.170 3.673 50 30 FHEARN CC(=O)N(c1nc(COC(=O)C2(C#N)CCCC2)cs1)c1ccccc1 ZINC000012796451 570763004 /nfs/dbraw/zinc/76/30/04/570763004.db2.gz RRGVLBRGAANMAN-UHFFFAOYSA-N 0 0 369.446 3.955 50 30 FHEARN CCOc1ccc(NN=C2C(C)=NN=C2Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000006380843 570770644 /nfs/dbraw/zinc/77/06/44/570770644.db2.gz IDGVTLQUZGRHIA-UHFFFAOYSA-N 0 0 366.381 3.662 50 30 FHEARN N#Cc1ccc(N2CCC(C(=O)N3CCC[C@@H]3c3ccccc3)CC2)nc1 ZINC000032883792 570835034 /nfs/dbraw/zinc/83/50/34/570835034.db2.gz NROMEWVCXMOKIN-HXUWFJFHSA-N 0 0 360.461 3.533 50 30 FHEARN Cc1cc(Br)ccc1NCC(=O)NC1(C#N)CCCCCC1 ZINC000032906660 570844083 /nfs/dbraw/zinc/84/40/83/570844083.db2.gz MEDQANVDKFJXPU-UHFFFAOYSA-N 0 0 364.287 3.902 50 30 FHEARN C[C@@H](OC(=O)c1cc2ccccc2o1)C(=O)N(CCC#N)c1ccccc1 ZINC000032910826 570849846 /nfs/dbraw/zinc/84/98/46/570849846.db2.gz UCNPYCLWINOWEZ-OAHLLOKOSA-N 0 0 362.385 3.925 50 30 FHEARN N#Cc1ccccc1S(=O)(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000032935759 570873311 /nfs/dbraw/zinc/87/33/11/570873311.db2.gz XNPVSWTXSBZQMC-LJQANCHMSA-N 0 0 358.438 3.907 50 30 FHEARN Cc1ccc(/C=N/N=C2/S[C@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000004909607 570879232 /nfs/dbraw/zinc/87/92/32/570879232.db2.gz GWKGJNDKCUCJBS-CHFFKMNDSA-N 0 0 355.438 3.988 50 30 FHEARN N#C[C@H](C(=O)Nc1ccccn1)C(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000107347770 570896515 /nfs/dbraw/zinc/89/65/15/570896515.db2.gz RFSCISGKYQADMJ-RDBSUJKOSA-N 0 0 373.334 3.551 50 30 FHEARN O=C(N/C(=N/c1ccc(F)cc1)NCc1ccncc1)c1ccc(F)cc1 ZINC000045939889 570915279 /nfs/dbraw/zinc/91/52/79/570915279.db2.gz XRZBWPUNKOJAGC-UHFFFAOYSA-N 0 0 366.371 3.567 50 30 FHEARN Cc1cccc(C(=O)N=C(NCc2ccccn2)Nc2cccc(F)c2)c1 ZINC000046126369 570927065 /nfs/dbraw/zinc/92/70/65/570927065.db2.gz SALNVKPNUXUNIJ-UHFFFAOYSA-N 0 0 362.408 3.927 50 30 FHEARN Cc1cccc(C(=O)N=C(NCc2cccnc2)Nc2ccc(F)cc2)c1 ZINC000046128260 570927536 /nfs/dbraw/zinc/92/75/36/570927536.db2.gz PFGJJVSOIQZWEF-UHFFFAOYSA-N 0 0 362.408 3.927 50 30 FHEARN Cc1cccc(C(=O)N=C(NCc2cccnc2)Nc2cccc(F)c2)c1 ZINC000046128167 570927554 /nfs/dbraw/zinc/92/75/54/570927554.db2.gz MQIUAWRAQRGBST-UHFFFAOYSA-N 0 0 362.408 3.927 50 30 FHEARN Cc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccccc2C)cc1C ZINC000046129271 570927692 /nfs/dbraw/zinc/92/76/92/570927692.db2.gz UVGOLYGBWAOWPG-LJQANCHMSA-N 0 0 365.477 3.989 50 30 FHEARN CCc1ccccc1NC(=NC(=O)c1cccc(F)c1)NC[C@@H]1CCCO1 ZINC000046131139 570928478 /nfs/dbraw/zinc/92/84/78/570928478.db2.gz VIRKAOFSQUGYAC-SFHVURJKSA-N 0 0 369.440 3.765 50 30 FHEARN Cc1cccc(NC(=NC(=O)c2ccccc2)NC[C@H]2CCCO2)c1C ZINC000046131633 570928822 /nfs/dbraw/zinc/92/88/22/570928822.db2.gz ZYDRDNYGIFBTJH-GOSISDBHSA-N 0 0 351.450 3.680 50 30 FHEARN CCc1ccc(NC(=NC(=O)c2cccc(F)c2)NC[C@@H]2CCCO2)cc1 ZINC000046133343 570928836 /nfs/dbraw/zinc/92/88/36/570928836.db2.gz GWNIIMTVOHSTFT-IBGZPJMESA-N 0 0 369.440 3.765 50 30 FHEARN CCc1ccc(NC(=NC(=O)c2cccc(F)c2)NC[C@H]2CCCO2)cc1 ZINC000046133347 570928916 /nfs/dbraw/zinc/92/89/16/570928916.db2.gz GWNIIMTVOHSTFT-LJQANCHMSA-N 0 0 369.440 3.765 50 30 FHEARN CC(C)Oc1ccc(/C=C2/C(=O)ON=C2c2cccc([N+](=O)[O-])c2)cc1 ZINC000211022826 570968192 /nfs/dbraw/zinc/96/81/92/570968192.db2.gz DSVUJOCXRAHGPP-LICLKQGHSA-N 0 0 352.346 3.727 50 30 FHEARN C[C@@H]1Cc2ccccc2N1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000024678484 570979481 /nfs/dbraw/zinc/97/94/81/570979481.db2.gz LEENUWDLILAWHQ-RHSMWYFYSA-N 0 0 354.413 3.675 50 30 FHEARN CCOc1ccc([C@H](C)NC(=O)COc2ccc(C#N)cc2OCC)cc1 ZINC000010978850 570992498 /nfs/dbraw/zinc/99/24/98/570992498.db2.gz WXNSNIDAFUICLX-HNNXBMFYSA-N 0 0 368.433 3.612 50 30 FHEARN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C\c3ccc4c(c3)OCO4)S2)c1 ZINC000027840703 571022372 /nfs/dbraw/zinc/02/23/72/571022372.db2.gz YCZHBULNDITXMI-RQZCQDPDSA-N 0 0 352.415 3.924 50 30 FHEARN C#CCN(Cc1cccnc1)C(=O)NCC1(c2cccs2)CCCC1 ZINC000072270206 571052990 /nfs/dbraw/zinc/05/29/90/571052990.db2.gz PREGONLEXGPKQY-UHFFFAOYSA-N 0 0 353.491 3.800 50 30 FHEARN C=CCc1cc(CN(C)Cc2nc(-c3ccncc3)no2)ccc1OCC ZINC000055211264 571058043 /nfs/dbraw/zinc/05/80/43/571058043.db2.gz BWERPNXDYHIBAL-UHFFFAOYSA-N 0 0 364.449 3.891 50 30 FHEARN CN(C)c1ccc(C(F)(F)F)cc1NC(=O)COc1ccc(C#N)cc1 ZINC000008779773 571061975 /nfs/dbraw/zinc/06/19/75/571061975.db2.gz HYSUMPBXNSZESS-UHFFFAOYSA-N 0 0 363.339 3.661 50 30 FHEARN N#C[C@@H](c1ccccc1)[C@@H]1CCCCN1CC(=O)Nc1cccc(F)c1 ZINC000072308610 571065440 /nfs/dbraw/zinc/06/54/40/571065440.db2.gz FHPABCBPODTRGR-PMACEKPBSA-N 0 0 351.425 3.926 50 30 FHEARN CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C\c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000039931383 571066098 /nfs/dbraw/zinc/06/60/98/571066098.db2.gz ZEWUYNOYYXDWTO-WSTLFAGRSA-N 0 0 373.518 3.880 50 30 FHEARN CC(C)n1ncc2cc(C(=O)Nc3sc4c(c3C#N)CCC4)cnc21 ZINC000012755041 571077718 /nfs/dbraw/zinc/07/77/18/571077718.db2.gz SXKSHBYGIRFXMM-UHFFFAOYSA-N 0 0 351.435 3.686 50 30 FHEARN N#Cc1cc2c(n(-c3ccc(F)cc3)c1=O)C[C@@H](c1ccccc1)CC2=O ZINC000032985434 571083083 /nfs/dbraw/zinc/08/30/83/571083083.db2.gz YSVAPCAZHQFLEM-OAHLLOKOSA-N 0 0 358.372 3.761 50 30 FHEARN N#CCN(CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-])Cc1ccccc1 ZINC000040155681 571087284 /nfs/dbraw/zinc/08/72/84/571087284.db2.gz LQMDGAYVOLBRBN-UHFFFAOYSA-N 0 0 358.785 3.862 50 30 FHEARN COc1ccc(OC)c(-n2cnc3c2NC(=O)C[C@H]3c2ccc(C#N)cc2)c1 ZINC000040285437 571093530 /nfs/dbraw/zinc/09/35/30/571093530.db2.gz ZFZMYXUEKMXMAD-INIZCTEOSA-N 0 0 374.400 3.885 50 30 FHEARN N#C[C@H](NC(=O)c1csc(I)c1)C1CCCCC1 ZINC000123468805 571141298 /nfs/dbraw/zinc/14/12/98/571141298.db2.gz IGRJSOGODMEZMD-NSHDSACASA-N 0 0 374.247 3.555 50 30 FHEARN Cc1ccc(C)c(S(=O)(=O)NN=C2CCSc3c(F)cccc32)c1 ZINC000015660178 571100434 /nfs/dbraw/zinc/10/04/34/571100434.db2.gz FVOYEBGRPZXIEO-UHFFFAOYSA-N 0 0 364.467 3.621 50 30 FHEARN O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000004598233 571100811 /nfs/dbraw/zinc/10/08/11/571100811.db2.gz HCPPFFHQSACVBP-GQCTYLIASA-N 0 0 366.285 3.506 50 30 FHEARN COc1ccc(-n2c(SCC#N)nc3sc4c(c3c2=O)CCC4)cc1 ZINC000004599916 571101771 /nfs/dbraw/zinc/10/17/71/571101771.db2.gz DHNOWYSIHGTOFN-UHFFFAOYSA-N 0 0 369.471 3.560 50 30 FHEARN Cn1ccnc1[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1cccc(F)c1 ZINC000009367243 571106751 /nfs/dbraw/zinc/10/67/51/571106751.db2.gz ZBMFAYWGSQVLTM-QGZVFWFLSA-N 0 0 351.341 3.541 50 30 FHEARN CCOc1cc(C#N)c(NC(=O)c2ccc(OC)c(OC)c2)cc1OCC ZINC000004602017 571107935 /nfs/dbraw/zinc/10/79/35/571107935.db2.gz YWXLZQVYRUPFKF-UHFFFAOYSA-N 0 0 370.405 3.625 50 30 FHEARN N#CCn1c2ccc(F)cc2c2ncn(Cc3ccccc3Cl)c(=O)c21 ZINC000072328614 571112496 /nfs/dbraw/zinc/11/24/96/571112496.db2.gz ZHQHYMIQLSKXJS-UHFFFAOYSA-N 0 0 366.783 3.716 50 30 FHEARN CCOc1ccc([C@H]2c3ccc(O)cc3Oc3nc(N)c(C#N)c(N)c32)cc1 ZINC000085409056 571113161 /nfs/dbraw/zinc/11/31/61/571113161.db2.gz AYBAGRJMOCPVEU-KRWDZBQOSA-N 0 0 374.400 3.508 50 30 FHEARN Cc1cc([C@H](C(=O)[O-])[NH+]2CCC(C#N)(c3ccccc3)CC2)ccc1F ZINC000055308090 571119084 /nfs/dbraw/zinc/11/90/84/571119084.db2.gz MVDREYSNHXRPSZ-LJQANCHMSA-N 0 0 352.409 3.817 50 30 FHEARN C=CCOc1cccc(-c2nc(O)c3c4ccccc4c(=O)n(CC)n23)c1 ZINC000014125194 571120894 /nfs/dbraw/zinc/12/08/94/571120894.db2.gz FTGVBWSFHSXAON-UHFFFAOYSA-N 0 0 361.401 3.607 50 30 FHEARN C=CCn1c2ccccc2c2nnc(SCc3ccc4nonc4c3)nc21 ZINC000000719220 571122987 /nfs/dbraw/zinc/12/29/87/571122987.db2.gz CBDVEMJKSUSVCA-UHFFFAOYSA-N 0 0 374.429 3.994 50 30 FHEARN C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000000795587 571123164 /nfs/dbraw/zinc/12/31/64/571123164.db2.gz MJMOHJSPVSETBC-UHFFFAOYSA-N 0 0 364.493 3.882 50 30 aggregator FHEARN Cc1cc(C)c(C#N)c(SCC(=O)NC2(c3ccccc3)CCC2)n1 ZINC000053287977 571125600 /nfs/dbraw/zinc/12/56/00/571125600.db2.gz ZQPFCJMWZLGGDY-UHFFFAOYSA-N 0 0 351.475 3.858 50 30 FHEARN CCOC(=O)[C@H]1C(=O)N(O)C[C@@H]1c1cccc(Oc2ccc(CC)cc2)c1 ZINC000003997641 571129783 /nfs/dbraw/zinc/12/97/83/571129783.db2.gz PCABVTNIDXAZMY-RTBURBONSA-N 0 0 369.417 3.536 50 30 FHEARN Cc1cc(C)n(-c2ccc(C(N)=NOCc3c(F)cccc3Cl)cn2)n1 ZINC000058370837 571131664 /nfs/dbraw/zinc/13/16/64/571131664.db2.gz PFKXXGIURSODOF-UHFFFAOYSA-N 0 0 373.819 3.514 50 30 FHEARN CCOc1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1OC ZINC000000940348 571135157 /nfs/dbraw/zinc/13/51/57/571135157.db2.gz RRNYMCOLQQYLSR-CIAFOILYSA-N 0 0 368.462 3.860 50 30 FHEARN CCCCCCCCc1c(O)nc(SCC[NH+](CC)CC)[n-]c1=O ZINC000097951553 571153040 /nfs/dbraw/zinc/15/30/40/571153040.db2.gz ZRVCEPHXDVJJOQ-UHFFFAOYSA-N 0 0 355.548 3.812 50 30 FHEARN CCN1CCCc2cc(/C=N\NC(=S)Nc3cccc(F)c3)ccc21 ZINC000033096892 571155289 /nfs/dbraw/zinc/15/52/89/571155289.db2.gz BTKTYIBUGYMUKN-BKUYFWCQSA-N 0 0 356.470 3.919 50 30 FHEARN CC(=O)[C@@H](C)Sc1nc2c(c(-c3cccs3)c1C#N)CN(C)CC2 ZINC000075286228 571160059 /nfs/dbraw/zinc/16/00/59/571160059.db2.gz DULHHTRBFKITNV-GFCCVEGCSA-N 0 0 357.504 3.739 50 30 FHEARN O=C(Cc1ccc(OC(F)(F)F)cc1)Nc1n[nH]c(-c2ccccn2)n1 ZINC000053527792 571161209 /nfs/dbraw/zinc/16/12/09/571161209.db2.gz UGYZSHWBFLULGK-UHFFFAOYSA-N 0 0 363.299 3.596 50 30 FHEARN Cc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)s1 ZINC000006219071 571166956 /nfs/dbraw/zinc/16/69/56/571166956.db2.gz FXFURKUDHYRVQO-UHFFFAOYSA-N 0 0 364.521 3.779 50 30 FHEARN CC(=O)c1ccccc1OCCSCC(=O)Nc1ccccc1C#N ZINC000005936643 571168670 /nfs/dbraw/zinc/16/86/70/571168670.db2.gz APRZOWCBRNHYBN-UHFFFAOYSA-N 0 0 354.431 3.512 50 30 FHEARN C=CCN1c2ccccc2[C@@](O)([C@@H](C)C(=O)c2ccc(Cl)cc2)C1=O ZINC000004724215 571168933 /nfs/dbraw/zinc/16/89/33/571168933.db2.gz USZLSODSBDZSBN-RBZFPXEDSA-N 0 0 355.821 3.579 50 30 FHEARN C=CCC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2C)CC1 ZINC000012579196 571185596 /nfs/dbraw/zinc/18/55/96/571185596.db2.gz AZLZJNCPUKTRPR-UHFFFAOYSA-N 0 0 367.453 3.575 50 30 FHEARN Cc1ccc(-c2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)o2)cc1 ZINC000054061437 571199218 /nfs/dbraw/zinc/19/92/18/571199218.db2.gz YFXZUPSUDLXIJX-UHFFFAOYSA-N 0 0 358.445 3.844 50 30 FHEARN COCc1nnc(SCc2ccccc2C#N)n1-c1ccccc1C ZINC000035887393 571208574 /nfs/dbraw/zinc/20/85/74/571208574.db2.gz XCISCOHUABZBGE-UHFFFAOYSA-N 0 0 350.447 3.886 50 30 FHEARN CC(C)Cc1ccc(S(=O)(=O)N/N=C/c2c[nH]c3ccccc23)cc1 ZINC000006563892 571209724 /nfs/dbraw/zinc/20/97/24/571209724.db2.gz PUXPXVAEVNEJRL-FYJGNVAPSA-N 0 0 355.463 3.679 50 30 FHEARN CN(C)c1ccc(C=NN2C(=S)N=NC2c2ccccc2Cl)cc1 ZINC000005809990 571214371 /nfs/dbraw/zinc/21/43/71/571214371.db2.gz ZWLPAIPQGKSAAW-YBFXNURJSA-N 0 0 357.870 3.835 50 30 FHEARN CC(C)(C)c1cc(NC(=O)N2CCC(C#N)CC2)n(-c2ccccc2)n1 ZINC000426382805 571217701 /nfs/dbraw/zinc/21/77/01/571217701.db2.gz RPQQVTLFTXIAHA-UHFFFAOYSA-N 0 0 351.454 3.937 50 30 FHEARN CC1(C)C[C@@](CCNC(=O)N2CCC(C#N)CC2)(c2ccccc2)CCO1 ZINC000426430971 571224652 /nfs/dbraw/zinc/22/46/52/571224652.db2.gz FSSLGWINRITJJN-QFIPXVFZSA-N 0 0 369.509 3.849 50 30 FHEARN CC(C)c1nnc([C@@H](C)NC(=O)CC2=C(c3ccccc3)CCC2=O)o1 ZINC000426613690 571233268 /nfs/dbraw/zinc/23/32/68/571233268.db2.gz XBSYEFQBBHPBLM-CYBMUJFWSA-N 0 0 353.422 3.577 50 30 FHEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@@H]2c1cccs1 ZINC000085376194 571233472 /nfs/dbraw/zinc/23/34/72/571233472.db2.gz BUXMIEDECHMCOE-GFCCVEGCSA-N 0 0 359.476 3.695 50 30 FHEARN CCOP(=O)(OCC)C(C#N)=NOC(=O)Nc1ccc(Cl)cc1 ZINC000004786021 571236133 /nfs/dbraw/zinc/23/61/33/571236133.db2.gz WIYKUELSOJSGPU-SFQUDFHCSA-N 0 0 359.706 3.992 50 30 FHEARN Cc1nn(-c2ccccn2)c2c1[C@H](c1cccnc1)C1=C(CCCC1=O)N2 ZINC000006714355 571243228 /nfs/dbraw/zinc/24/32/28/571243228.db2.gz UYIRYFDSPURRBL-IBGZPJMESA-N 0 0 357.417 3.535 50 30 FHEARN COc1ccc(-c2nnc(SCc3ccccc3C#N)o2)cc1OC ZINC000006790547 571246606 /nfs/dbraw/zinc/24/66/06/571246606.db2.gz NOPRLXWNAGLPFP-UHFFFAOYSA-N 0 0 353.403 3.918 50 30 FHEARN N#Cc1ccc(OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(Cl)c1 ZINC000036392568 571252727 /nfs/dbraw/zinc/25/27/27/571252727.db2.gz DQQWECCWWZWIAE-UHFFFAOYSA-N 0 0 356.725 3.749 50 30 FHEARN C=CCn1c(S[C@H](C)c2nc(C)no2)nc2sc(C)c(C)c2c1=O ZINC000036392759 571252821 /nfs/dbraw/zinc/25/28/21/571252821.db2.gz YMHAEDDGJBFBNX-SNVBAGLBSA-N 0 0 362.480 3.806 50 30 FHEARN Cc1cc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(C#N)cc3)c2)on1 ZINC000006887750 571253255 /nfs/dbraw/zinc/25/32/55/571253255.db2.gz DNONZBQBHNNZBH-UHFFFAOYSA-N 0 0 353.403 3.631 50 30 FHEARN Cc1nc(S[C@@H](C)C(=O)NC2(C#N)CCCCC2)c(C#N)c(C)c1C ZINC000007060009 571259468 /nfs/dbraw/zinc/25/94/68/571259468.db2.gz QKGQIZXFYQNKMB-HNNXBMFYSA-N 0 0 356.495 3.702 50 30 FHEARN N#Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1 ZINC000007217452 571263141 /nfs/dbraw/zinc/26/31/41/571263141.db2.gz PWOGHYISXZDGCW-MRXNPFEDSA-N 0 0 369.471 3.694 50 30 FHEARN N#Cc1cc(N2CCC[C@@H]2c2cccc3c2OCCO3)ncc1OC1CC1 ZINC000170610847 571267485 /nfs/dbraw/zinc/26/74/85/571267485.db2.gz NULFAGLDLXGPMY-QGZVFWFLSA-N 0 0 363.417 3.607 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@H]1c1cc(OC)cc(OC)c1 ZINC000170618287 571268571 /nfs/dbraw/zinc/26/85/71/571268571.db2.gz ZHORSRSJWUTTPD-FXAWDEMLSA-N 0 0 370.401 3.616 50 30 FHEARN Clc1cccc(N=NCc2cccc(I)c2)n1 ZINC000004550772 571270976 /nfs/dbraw/zinc/27/09/76/571270976.db2.gz NGYILHUDQRTFPP-OVCLIPMQSA-N 0 0 357.582 3.786 50 30 FHEARN N#Cc1ccccc1NC(=O)CN(Cc1ccco1)Cc1cccs1 ZINC000007580353 571274505 /nfs/dbraw/zinc/27/45/05/571274505.db2.gz WJZVMJCUCJKTDN-UHFFFAOYSA-N 0 0 351.431 3.854 50 30 FHEARN Cc1c(N=Cc2cccc(Br)c2)c(=O)n(-c2ccccc2)n1C ZINC000254513734 571275350 /nfs/dbraw/zinc/27/53/50/571275350.db2.gz IGBVZLSWRKDHPA-UHFFFAOYSA-N 0 0 370.250 3.998 50 30 FHEARN S=C1N=NC(c2ccccn2)N1N=Cc1ccc(Cl)cc1Cl ZINC000006198507 571276509 /nfs/dbraw/zinc/27/65/09/571276509.db2.gz BVUAUDLIWAAZTE-QGMBQPNBSA-N 0 0 350.234 3.818 50 30 FHEARN CCCn1c(C)cc(C(=O)CON=Cc2ccc(C(=O)OC)cc2)c1C ZINC000252452657 571278786 /nfs/dbraw/zinc/27/87/86/571278786.db2.gz ULUGTWUJOCBOGA-UHFFFAOYSA-N 0 0 356.422 3.535 50 30 FHEARN C[C@H]1CCc2ccccc2N1CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000007619348 571284360 /nfs/dbraw/zinc/28/43/60/571284360.db2.gz ULCTWASQOJDMIX-ZDUSSCGKSA-N 0 0 351.475 3.888 50 30 FHEARN CN(C)c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccco2)cc1 ZINC000252622847 571288484 /nfs/dbraw/zinc/28/84/84/571288484.db2.gz OEASYCSIPFIYJE-UHFFFAOYSA-N 0 0 358.401 3.605 50 30 FHEARN C=CCOc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC ZINC000007886324 571290598 /nfs/dbraw/zinc/29/05/98/571290598.db2.gz NPFKMQLABVLIQM-FQEVSTJZSA-N 0 0 350.418 3.989 50 30 FHEARN COCCC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C ZINC000032107458 571308519 /nfs/dbraw/zinc/30/85/19/571308519.db2.gz DLURJPMDGSFIIF-PNPWQCGRSA-N 0 0 374.521 3.663 50 30 FHEARN COc1cc2c(cc1OC)[C@H](C#N)N(C)[C@H](Cc1c[nH]c3ccccc13)C2 ZINC000071769232 571309173 /nfs/dbraw/zinc/30/91/73/571309173.db2.gz LIFURDFPQZSGJI-JXFKEZNVSA-N 0 0 361.445 3.849 50 30 FHEARN C[C@@]12OC(=N)[C@@](C#N)([C@@H](c3ccccc3)O1)C(C#N)(C#N)[C@H]2c1ccccc1 ZINC000139366998 571311424 /nfs/dbraw/zinc/31/14/24/571311424.db2.gz MYHXPTPDSAEKDZ-GXKRZCMTSA-N 0 0 368.396 3.809 50 30 FHEARN CCOC(=O)[C@@]1(C)CC[C@@H]2[C@H](CC=C3C[C@@H](O)CC[C@@]32C)[C@H]1C/C=N/O ZINC000102319101 571311427 /nfs/dbraw/zinc/31/14/27/571311427.db2.gz RSZALTHHHIVRCG-RUQKSMGSSA-N 0 0 363.498 3.930 50 30 FHEARN CCCCCCN1CC2(CCN(C(=O)c3ccc(C#N)cc3)CC2)OC1=O ZINC000077425580 571321055 /nfs/dbraw/zinc/32/10/55/571321055.db2.gz QGWPXIJQQNEZNO-UHFFFAOYSA-N 0 0 369.465 3.566 50 30 FHEARN N#Cc1ccccc1-c1ccc([C@H]2CC(=O)NCc3nc4ccccn4c32)o1 ZINC000065374436 571321147 /nfs/dbraw/zinc/32/11/47/571321147.db2.gz TXISNIXXIDLVMD-MRXNPFEDSA-N 0 0 368.396 3.618 50 30 FHEARN N#Cc1ccccc1/C=C/C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000010546918 571321518 /nfs/dbraw/zinc/32/15/18/571321518.db2.gz OOHMWAADHZSAJO-DXRVJIQQSA-N 0 0 356.429 3.854 50 30 FHEARN COc1ccc([C@@H]2C[C@@H]2/C(C)=N/OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000012350667 571322287 /nfs/dbraw/zinc/32/22/87/571322287.db2.gz ALJDGBQIAAKFDF-SLCIEKFFSA-N 0 0 354.362 3.940 50 30 FHEARN COc1ccc([C@@H]2C[C@H]2/C(C)=N/OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000012350655 571322289 /nfs/dbraw/zinc/32/22/89/571322289.db2.gz ALJDGBQIAAKFDF-XENGFHBVSA-N 0 0 354.362 3.940 50 30 FHEARN COc1ccc([C@H]2C[C@H]2/C(C)=N/OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000012350633 571322314 /nfs/dbraw/zinc/32/23/14/571322314.db2.gz ALJDGBQIAAKFDF-YZJQUUSSSA-N 0 0 354.362 3.940 50 30 FHEARN C[C@H](Oc1ccc(Br)cc1)C(=O)OCc1cccc(C#N)c1 ZINC000013287160 571323201 /nfs/dbraw/zinc/32/32/01/571323201.db2.gz WMKOBHXMABZJFD-LBPRGKRZSA-N 0 0 360.207 3.831 50 30 FHEARN COc1cc(NC(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)ccn1 ZINC000329462264 571327295 /nfs/dbraw/zinc/32/72/95/571327295.db2.gz TWKTTXVTIDTNII-CYBMUJFWSA-N 0 0 372.494 3.851 50 30 FHEARN CC(=O)c1cn(CCC(=O)Nc2nnc(CC(C)C)[nH]2)c2ccccc12 ZINC000095476767 571330924 /nfs/dbraw/zinc/33/09/24/571330924.db2.gz IVKNYSDUAUCQII-UHFFFAOYSA-N 0 0 353.426 3.839 50 30 FHEARN C=CCNC(=S)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000007966341 571332311 /nfs/dbraw/zinc/33/23/11/571332311.db2.gz GMWKESVUERYWJA-UFFVCSGVSA-N 0 0 353.369 3.949 50 30 FHEARN C#CCCCCCC(=O)N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000096001669 571333765 /nfs/dbraw/zinc/33/37/65/571333765.db2.gz GMOFSGQPUYXVMJ-UHFFFAOYSA-N 0 0 352.478 3.654 50 30 FHEARN C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1F)CC(=O)N2 ZINC000670416134 571336773 /nfs/dbraw/zinc/33/67/73/571336773.db2.gz OVTAXZYUOCKKKY-JTQLQIEISA-N 0 0 365.817 3.727 50 30 FHEARN N#Cc1ccc(Cl)cc1NC(=O)c1ccnc(O[C@@H]2CCSC2)c1 ZINC000225720440 571337960 /nfs/dbraw/zinc/33/79/60/571337960.db2.gz PYJPCVYMBHZJCP-CQSZACIVSA-N 0 0 359.838 3.743 50 30 FHEARN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3ccc(C#N)c(Cl)n3)nc2c1 ZINC000225803680 571338444 /nfs/dbraw/zinc/33/84/44/571338444.db2.gz GCTCFKRAAYOXBB-INIZCTEOSA-N 0 0 365.824 3.769 50 30 FHEARN Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000002781030 571340940 /nfs/dbraw/zinc/34/09/40/571340940.db2.gz BNEIDZXSFSSPNM-VIFPVBQESA-N 0 0 368.384 3.832 50 30 FHEARN C=CCOc1ccc(CN[C@H](c2nccn2C)c2ccccc2)cc1OC ZINC000030643195 571347094 /nfs/dbraw/zinc/34/70/94/571347094.db2.gz KXPJSEWUPMSFIW-NRFANRHFSA-N 0 0 363.461 3.873 50 30 FHEARN N#Cc1c2c(sc1NC(=O)CN1CC=C(c3ccccc3)CC1)CCC2 ZINC000003323624 571347394 /nfs/dbraw/zinc/34/73/94/571347394.db2.gz IMRGKRQZYMYEHL-UHFFFAOYSA-N 0 0 363.486 3.836 50 30 FHEARN N#Cc1ccccc1CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O ZINC000003373083 571348614 /nfs/dbraw/zinc/34/86/14/571348614.db2.gz LEJJNRBWLNKPCZ-UHFFFAOYSA-N 0 0 367.408 3.554 50 30 FHEARN COc1ccc(OC)c(-c2csc(NC(=O)c3cccc(C#N)c3)n2)c1 ZINC000003402238 571349049 /nfs/dbraw/zinc/34/90/49/571349049.db2.gz RGQBAWVQDCHAJS-UHFFFAOYSA-N 0 0 365.414 3.951 50 30 FHEARN COC(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 ZINC000004079611 571354892 /nfs/dbraw/zinc/35/48/92/571354892.db2.gz KMUVCWZKBFEMMK-LLVKDONJSA-N 0 0 354.431 3.783 50 30 FHEARN CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000004095209 571355222 /nfs/dbraw/zinc/35/52/22/571355222.db2.gz RKHGFHLAYLUXLD-LJQANCHMSA-N 0 0 350.418 3.690 50 30 FHEARN N#Cc1c(NC(=O)c2ccc3c(c2)OCCO3)sc2c1CCCCC2 ZINC000004194660 571356736 /nfs/dbraw/zinc/35/67/36/571356736.db2.gz FYLCHDZQXCOPCB-UHFFFAOYSA-N 0 0 354.431 3.912 50 30 FHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)C[C@@H]3OC(=O)c4ccccc43)sc2C1 ZINC000007989210 571358245 /nfs/dbraw/zinc/35/82/45/571358245.db2.gz LRLCUUDESWFWKD-BZNIZROVSA-N 0 0 366.442 3.985 50 30 FHEARN N#Cc1c(NC(=O)CN2CCC[C@@H]2c2cccs2)sc2c1CCC2 ZINC000007990014 571358282 /nfs/dbraw/zinc/35/82/82/571358282.db2.gz OWKKXNBSNPMPJV-CQSZACIVSA-N 0 0 357.504 3.946 50 30 FHEARN Cc1onc(CC(=O)N2CCC(F)(c3ccc(Cl)cc3)CC2)c1C#N ZINC000332098408 945144414 /nfs/dbraw/zinc/14/44/14/945144414.db2.gz BJNRINMASKFUFD-UHFFFAOYSA-N 0 0 361.804 3.538 50 30 FHEARN N#Cc1ccc(OC2CCN(c3nc4c(cc3C#N)CCCC4)CC2)cc1 ZINC000329136017 942255002 /nfs/dbraw/zinc/25/50/02/942255002.db2.gz QVFLMTRESYKRKV-UHFFFAOYSA-N 0 0 358.445 3.752 50 30 FHEARN C[C@@H]1[C@H](NC(=O)[C@H]2CCCc3cccnc32)CC(=O)N1Cc1ccccc1 ZINC000329796962 944272214 /nfs/dbraw/zinc/27/22/14/944272214.db2.gz FFPTXMSNCZBVEK-AYOQOUSVSA-N 0 0 363.461 3.648 50 30 FHEARN CC(C)CCn1ncc(NC(=O)N2CC[C@H](c3cnn(C)c3)C2)c1C(C)C ZINC000330191341 944343212 /nfs/dbraw/zinc/34/32/12/944343212.db2.gz WZGJMFGWLQACQU-INIZCTEOSA-N 0 0 372.517 3.821 50 30 FHEARN CC(C)(C)[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)C[C@@H]1O ZINC000330817711 944372752 /nfs/dbraw/zinc/37/27/52/944372752.db2.gz NEQKBNFXDPKTGB-OWCLPIDISA-N 0 0 372.431 3.803 50 30 FHEARN Cc1cc(C#N)ccc1C(=O)N1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000331888840 944962700 /nfs/dbraw/zinc/96/27/00/944962700.db2.gz IOMRRWSIANCFBD-WMZOPIPTSA-N 0 0 374.362 3.834 50 30 FHEARN O=C1CCCC(=O)C1C(c1ccc2c(c1)OCO2)C1C(=O)CCCC1=O ZINC000000755550 210267146 /nfs/dbraw/zinc/26/71/46/210267146.db2.gz ZTRJHWATVXVSHP-UHFFFAOYSA-N 0 0 356.374 3.629 50 30 FHEARN COc1ccccc1NC(=O)CSc1nc(C)c2c(c1C#N)CCCC2 ZINC000000727978 210266825 /nfs/dbraw/zinc/26/68/25/210266825.db2.gz HLWCAIKBEONNBV-UHFFFAOYSA-N 0 0 367.474 3.880 50 30 FHEARN CCOC1(OCC)C(C#N)(C#N)[C@](C)(c2ccccc2)C1(OCC)OCC ZINC000000721479 210265883 /nfs/dbraw/zinc/26/58/83/210265883.db2.gz XSAGORWGNWWZEW-SFHVURJKSA-N 0 0 372.465 3.530 50 30 FHEARN CCN(CC)C(=O)CSc1nc(C2CC2)cc(C(F)(F)F)c1C#N ZINC000000664126 210260294 /nfs/dbraw/zinc/26/02/94/210260294.db2.gz NGXPMIXCBUIZLY-UHFFFAOYSA-N 0 0 357.401 3.810 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)cc1 ZINC000000626265 210252527 /nfs/dbraw/zinc/25/25/27/210252527.db2.gz GFDTWMMIHOBFFQ-SFHVURJKSA-N 0 0 355.434 3.559 50 30 FHEARN Cc1c(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)cnn1-c1ccccn1 ZINC000175266312 222615178 /nfs/dbraw/zinc/61/51/78/222615178.db2.gz HSXGSPHTVHRURV-UHFFFAOYSA-N 0 0 371.322 3.719 50 30 FHEARN C=CCn1c(Sc2ncnc(CC)c2F)nnc1-c1ccccc1F ZINC000157074391 210248244 /nfs/dbraw/zinc/24/82/44/210248244.db2.gz KHXRZWQIDAEBTQ-UHFFFAOYSA-N 0 0 359.405 3.913 50 30 FHEARN O=C1N/C(=N\C2CCCC2)S/C1=C/c1ccccc1Br ZINC000096288902 210239691 /nfs/dbraw/zinc/23/96/91/210239691.db2.gz LOBDNWNRRWZLCZ-UKTHLTGXSA-N 0 0 351.269 3.952 50 30 FHEARN Cn1cc(/C=C\C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 ZINC000096309259 210239391 /nfs/dbraw/zinc/23/93/91/210239391.db2.gz UAWDMPYYNBLIOL-KTKRTIGZSA-N 0 0 374.419 3.673 50 30 FHEARN C[C@H](NC(=O)/C=C\c1ccc(C#N)cc1)c1nc(-c2ccc(F)cc2)no1 ZINC000096314644 210238403 /nfs/dbraw/zinc/23/84/03/210238403.db2.gz JGTZDHSKTWPOQI-GXJZLWQJSA-N 0 0 362.364 3.638 50 30 FHEARN C[C@H]1CCC[N@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cccnc2)O3)C1 ZINC000020517934 210237430 /nfs/dbraw/zinc/23/74/30/210237430.db2.gz SXNUIQMUHDXGEA-VAODSVERSA-N 0 0 350.418 3.635 50 30 FHEARN Cc1cc([O-])c(C[NH+]2CCCCC2)c2c1C(=O)/C(=C/c1ccncc1)O2 ZINC000020591630 210235052 /nfs/dbraw/zinc/23/50/52/210235052.db2.gz VSZJSQRZCJZECU-PDGQHHTCSA-N 0 0 350.418 3.698 50 30 FHEARN COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O ZINC000009484004 210232153 /nfs/dbraw/zinc/23/21/53/210232153.db2.gz KGHUJANUFCWZNX-JWHLFPLYSA-N 0 0 358.777 3.897 50 30 FHEARN CCOc1ccc2c(c1)O/C(=C\c1ccc(O[C@H](C)C(=O)OC)cc1)C2=O ZINC000008823714 210230407 /nfs/dbraw/zinc/23/04/07/210230407.db2.gz LGSCXLBKSPHQMC-LPXFMOJISA-N 0 0 368.385 3.642 50 30 FHEARN C=CCc1c(C)nn(-c2nc(CC(=O)Nc3cccc(C)n3)cs2)c1C ZINC000033320715 210167202 /nfs/dbraw/zinc/16/72/02/210167202.db2.gz GSFWNSXMYYDDLA-UHFFFAOYSA-N 0 0 367.478 3.559 50 30 FHEARN C=CCn1c(SCCC)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000002334969 210151612 /nfs/dbraw/zinc/15/16/12/210151612.db2.gz XDGYNYBHAVUCHV-UHFFFAOYSA-N 0 0 350.509 3.997 50 30 FHEARN C=C(C)CSc1nnc2n1-c1sc3c(c1-c1nc(C)nn1-2)CCCC3 ZINC000002395306 210150775 /nfs/dbraw/zinc/15/07/75/210150775.db2.gz XQWHPKKTJYNWGB-UHFFFAOYSA-N 0 0 370.507 3.745 50 30 FHEARN C=CCNC(=S)Nc1sc2c(c1C(=O)OCC)CC(C)(C)SC2 ZINC000002350065 210150674 /nfs/dbraw/zinc/15/06/74/210150674.db2.gz FSTHPPUKNSBDSH-UHFFFAOYSA-N 0 0 370.565 3.965 50 30 FHEARN C=CCNc1sc(C(=O)c2ccc(Br)cc2)c(N)c1C#N ZINC000002250701 210150287 /nfs/dbraw/zinc/15/02/87/210150287.db2.gz HIVKBOIIPGPTMF-UHFFFAOYSA-N 0 0 362.252 3.793 50 30 FHEARN CC(C)(O)C#Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 ZINC000000709770 210148274 /nfs/dbraw/zinc/14/82/74/210148274.db2.gz HMTNWISSBLDMFL-UHFFFAOYSA-N 0 0 363.335 3.960 50 30 FHEARN C#CCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O ZINC000001166602 210148331 /nfs/dbraw/zinc/14/83/31/210148331.db2.gz UPQDSTMXDAODSY-GDNBJRDFSA-N 0 0 354.343 3.524 50 30 FHEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cccc(-c3nn[nH]n3)c2)c1 ZINC000014180528 210143202 /nfs/dbraw/zinc/14/32/02/210143202.db2.gz QSRRXOVVLAIBAY-UHFFFAOYSA-N 0 0 362.437 3.957 50 30 FHEARN C=C(C)CNC(=O)Cc1c(C)n(Cc2ccc(F)cc2)c2c1C(=O)CCC2 ZINC000012715016 210142691 /nfs/dbraw/zinc/14/26/91/210142691.db2.gz WBTXPHYILCNZCV-UHFFFAOYSA-N 0 0 368.452 3.738 50 30 FHEARN C#CC(CC)(CC)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000012699004 210142487 /nfs/dbraw/zinc/14/24/87/210142487.db2.gz RHGFUIUJZMIHOG-UHFFFAOYSA-N 0 0 360.885 3.500 50 30 FHEARN C=CCNC(=O)N1CC[C@@]2(C1)CCCN(Cc1ccc(C(C)C)cc1)C2=O ZINC000011945184 210140244 /nfs/dbraw/zinc/14/02/44/210140244.db2.gz OAGZHZONWMKQNC-JOCHJYFZSA-N 0 0 369.509 3.520 50 30 FHEARN C=CCN(C(=O)Cc1c(C)nn(C)c1C)c1nc(-c2ccccc2)cs1 ZINC000011213573 210139436 /nfs/dbraw/zinc/13/94/36/210139436.db2.gz MOVSOYSGWLIHSS-UHFFFAOYSA-N 0 0 366.490 3.922 50 30 FHEARN C=CCCC(=O)NC[C@H]1Cc2c(ccc3cc(-c4ncccn4)ccc23)O1 ZINC000012184833 210139145 /nfs/dbraw/zinc/13/91/45/210139145.db2.gz DNSXRBJHAIRFPZ-QGZVFWFLSA-N 0 0 359.429 3.683 50 30 FHEARN C#CCOc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1Br ZINC000006261677 210108700 /nfs/dbraw/zinc/10/87/00/210108700.db2.gz LKPNEPWBIUTSHP-UVTDQMKNSA-N 0 0 354.203 3.954 50 30 FHEARN C=CCOC(=O)/C(=C/c1ccc(OC)cc1)NC(=O)c1ccc(C)cc1 ZINC000004949601 210106738 /nfs/dbraw/zinc/10/67/38/210106738.db2.gz FYKOMWNMJKXHQO-RGEXLXHISA-N 0 0 351.402 3.504 50 30 FHEARN C=CCN(Cc1cccs1)C(=O)c1nc(C)n(-c2ccc(F)cc2)n1 ZINC000058304440 210074419 /nfs/dbraw/zinc/07/44/19/210074419.db2.gz QHJGFRPTWUMSKS-UHFFFAOYSA-N 0 0 356.426 3.605 50 30 FHEARN C[C@H](c1nc2ccccc2[nH]1)n1cc(-c2ccc(C#CC(C)(C)O)cc2)nn1 ZINC000091745345 210073482 /nfs/dbraw/zinc/07/34/82/210073482.db2.gz NDFWKLFLKDYDFT-OAHLLOKOSA-N 0 0 371.444 3.553 50 30 FHEARN C=CC[C@H]1C=C(C)C[C@H](CC=C)N1C(=O)Cn1cnc2ccsc2c1=O ZINC000055414398 210069248 /nfs/dbraw/zinc/06/92/48/210069248.db2.gz DDNPFIKWSUSTKO-HOTGVXAUSA-N 0 0 369.490 3.526 50 30 FHEARN C=CCOc1ccc(CN[C@@H](C)c2cn3ncsc3n2)cc1CC=C ZINC000055119291 210068760 /nfs/dbraw/zinc/06/87/60/210068760.db2.gz HKDNIJXHXKXMMB-AWEZNQCLSA-N 0 0 354.479 3.935 50 30 FHEARN Cc1nn(-c2cc(Oc3ccccc3)nc(-c3ccccc3)n2)c(N)c1C#N ZINC000000632453 219306685 /nfs/dbraw/zinc/30/66/85/219306685.db2.gz HHELYTAQOOSJQL-UHFFFAOYSA-N 0 0 368.400 3.884 50 30 FHEARN Cc1cc(Br)cc(C)c1NC(=O)COc1ccc(C#N)cc1 ZINC000001146003 219380709 /nfs/dbraw/zinc/38/07/09/219380709.db2.gz IZTGFNUGRRWUEX-UHFFFAOYSA-N 0 0 359.223 3.955 50 30 FHEARN CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=S)[C@@H]2c1ccc(Cl)cc1 ZINC000001235246 219392691 /nfs/dbraw/zinc/39/26/91/219392691.db2.gz YPTKGMHDMJNLDM-CYBMUJFWSA-N 0 0 362.882 3.553 50 30 FHEARN O=c1nc(N/N=C/c2ccccc2Cl)sc2ccc([N+](=O)[O-])cc12 ZINC000004522492 219582891 /nfs/dbraw/zinc/58/28/91/219582891.db2.gz ORPXVDQRBJRTHH-CAOOACKPSA-N 0 0 360.782 3.664 50 30 FHEARN COc1cc(C#N)ccc1O[C@@H](C)C(=O)N[C@H]1CCCc2ccccc21 ZINC000005429896 219677867 /nfs/dbraw/zinc/67/78/67/219677867.db2.gz NDFIDJFNGKDWPE-KSSFIOAISA-N 0 0 350.418 3.528 50 30 FHEARN CCc1c(C)sc2nc(S[C@H](C)C#N)n(C[C@H]3CCCO3)c(=O)c12 ZINC000005571497 219689671 /nfs/dbraw/zinc/68/96/71/219689671.db2.gz VUJVKGJWGCITET-ZYHUDNBSSA-N 0 0 363.508 3.512 50 30 FHEARN Cc1cc(C(=O)Nc2ccc(C#N)cc2)nc2cc(-c3cccs3)nn21 ZINC000064760031 212043959 /nfs/dbraw/zinc/04/39/59/212043959.db2.gz RBSDZYBGPWTFOI-UHFFFAOYSA-N 0 0 359.414 3.890 50 30 FHEARN COc1ccccc1-c1noc([C@@H]2CCCN2C(=O)c2ccc(C#N)cc2)n1 ZINC000064747240 212043545 /nfs/dbraw/zinc/04/35/45/212043545.db2.gz IMTHYFCLWZJWFA-KRWDZBQOSA-N 0 0 374.400 3.594 50 30 FHEARN Cc1noc(C)c1CNc1oc(-c2ccc(Br)o2)nc1C#N ZINC000061997198 212028664 /nfs/dbraw/zinc/02/86/64/212028664.db2.gz IVNOGOASWFMWHX-UHFFFAOYSA-N 0 0 363.171 3.786 50 30 FHEARN CSc1nc(C2CC2)cc(C(=O)N2CCC(n3cccc3)CC2)c1C#N ZINC000060449922 212021922 /nfs/dbraw/zinc/02/19/22/212021922.db2.gz RMXLDCXMKCPIMZ-UHFFFAOYSA-N 0 0 366.490 3.831 50 30 FHEARN Cn1cc(/C=C/C(=O)N(Cc2ccc(C#N)cc2)Cc2cccc(F)c2)cn1 ZINC000058341865 212004567 /nfs/dbraw/zinc/00/45/67/212004567.db2.gz UAWDMPYYNBLIOL-MDZDMXLPSA-N 0 0 374.419 3.673 50 30 FHEARN CCOc1cc(/C=C2\CCS(=O)(=O)c3ccccc3C2=O)ccc1OC ZINC000058163229 211987593 /nfs/dbraw/zinc/98/75/93/211987593.db2.gz ITUXGOPFQHQDDX-NTCAYCPXSA-N 0 0 372.442 3.538 50 30 FHEARN C[C@@H]1CCc2nc(Sc3ccc([N+](=O)[O-])cc3C=O)c(C#N)cc2C1 ZINC000013573912 220076280 /nfs/dbraw/zinc/07/62/80/220076280.db2.gz BYMYNKFCGAEODE-LLVKDONJSA-N 0 0 353.403 3.950 50 30 FHEARN Cc1ccc(C(=O)COC(=O)CCSc2nc(C)cc(C)c2C#N)cc1 ZINC000013579573 220076585 /nfs/dbraw/zinc/07/65/85/220076585.db2.gz KIRPLFDCTSMZGB-UHFFFAOYSA-N 0 0 368.458 3.787 50 30 FHEARN N#Cc1ccc(NC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000015567470 220156315 /nfs/dbraw/zinc/15/63/15/220156315.db2.gz QUXJZHLEYMYSBI-UHFFFAOYSA-N 0 0 367.364 3.611 50 30 FHEARN COC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2ccc(O)cc2)C1=O ZINC000036257125 211658220 /nfs/dbraw/zinc/65/82/20/211658220.db2.gz FWVPYUUJADVSHU-XNTDXEJSSA-N 0 0 371.389 3.685 50 30 FHEARN CC(C)COC(=NC(=O)c1ccc(Cl)c(Cl)c1)NC[C@H]1CCCO1 ZINC000035817090 211644961 /nfs/dbraw/zinc/64/49/61/211644961.db2.gz RDFYJKCKIXPVSF-CYBMUJFWSA-N 0 0 373.280 3.931 50 30 FHEARN COc1ccc([N+](=O)[O-])cc1OCc1c(C#N)c(C)nn1-c1ccccc1 ZINC000025075850 211423180 /nfs/dbraw/zinc/42/31/80/211423180.db2.gz LOEOMUGUMWAOMF-UHFFFAOYSA-N 0 0 364.361 3.548 50 30 FHEARN COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)CC(C)(C)C3)cc1O ZINC000021660317 211319976 /nfs/dbraw/zinc/31/99/76/211319976.db2.gz RFWZSVDGEOXBLH-QGZVFWFLSA-N 0 0 354.406 3.898 50 30 FHEARN Cc1ccc(CN2CCN(/N=C/c3ccc(Br)cc3)CC2)cc1 ZINC000020189286 211270824 /nfs/dbraw/zinc/27/08/24/211270824.db2.gz DOBMPKOUCYKHDT-KGENOOAVSA-N 0 0 372.310 3.909 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cccc(F)c1 ZINC000019848528 211258909 /nfs/dbraw/zinc/25/89/09/211258909.db2.gz TZVJWDMIPZXXJR-SFHVURJKSA-N 0 0 363.388 3.957 50 30 FHEARN Cc1nn(-c2ccccc2)c(COc2cc(F)ccc2[N+](=O)[O-])c1C#N ZINC000018250163 211195518 /nfs/dbraw/zinc/19/55/18/211195518.db2.gz PCTDDMBURYMWEQ-UHFFFAOYSA-N 0 0 352.325 3.679 50 30 FHEARN N#Cc1ccc(OCCn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 ZINC000017478250 211187037 /nfs/dbraw/zinc/18/70/37/211187037.db2.gz XUTJIOITDAIYNW-UHFFFAOYSA-N 0 0 360.200 3.654 50 30 FHEARN COc1cc2c(cc1OC)[C@H](c1ccc([N+](=O)[O-])o1)C1=C(CCCC1=O)N2 ZINC000018197485 211194472 /nfs/dbraw/zinc/19/44/72/211194472.db2.gz OWQZKVKTZHVJPX-GOSISDBHSA-N 0 0 370.361 3.770 50 30 FHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccccc1 ZINC000016737259 211168390 /nfs/dbraw/zinc/16/83/90/211168390.db2.gz KPZYRTMMBCWDLD-LJQANCHMSA-N 0 0 363.413 3.850 50 30 FHEARN COc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1Br ZINC000016226540 211156581 /nfs/dbraw/zinc/15/65/81/211156581.db2.gz GQNCDGRPKHAXQN-LCYFTJDESA-N 0 0 358.191 3.802 50 30 FHEARN N#Cc1ccccc1OS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000016093721 211155329 /nfs/dbraw/zinc/15/53/29/211155329.db2.gz BLMWZGWJJXVRAL-UHFFFAOYSA-N 0 0 361.728 3.998 50 30 FHEARN Cc1ccc(C[C@@H](C#N)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000016699252 211165958 /nfs/dbraw/zinc/16/59/58/211165958.db2.gz YJLXTXICFGPSFF-SFHVURJKSA-N 0 0 367.880 3.541 50 30 FHEARN CCCCc1c(C)nc(NN=Cc2c(F)c(F)c(F)c(F)c2F)[nH]c1=O ZINC000016512860 211163228 /nfs/dbraw/zinc/16/32/28/211163228.db2.gz WIQIVBLWGHXXDX-GEVRCRHISA-N 0 0 374.313 3.562 50 30 FHEARN Cc1nn(-c2nc3ccccc3o2)c2c1[C@@H](c1ccc(C#N)cc1)CC(=O)N2 ZINC000015868262 211149813 /nfs/dbraw/zinc/14/98/13/211149813.db2.gz PSOVTGMHNBKPOB-OAHLLOKOSA-N 0 0 369.384 3.668 50 30 FHEARN Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccc(C#N)cc1)CC(=O)N2 ZINC000015083856 211121625 /nfs/dbraw/zinc/12/16/25/211121625.db2.gz BHIIHBRYDODUQS-ZDUSSCGKSA-N 0 0 364.796 3.619 50 30 FHEARN CCOc1cc(C#N)ccc1O[C@@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000014124848 211075907 /nfs/dbraw/zinc/07/59/07/211075907.db2.gz YGGHVJYLEHNVPC-ZDUSSCGKSA-N 0 0 358.825 3.694 50 30 FHEARN CCOc1cc(C#N)ccc1O[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000014124851 211075414 /nfs/dbraw/zinc/07/54/14/211075414.db2.gz YGGHVJYLEHNVPC-CYBMUJFWSA-N 0 0 358.825 3.694 50 30 FHEARN CCOC(=O)C1=C(C)NC(=Cc2cc(C)n(-c3ccc(C)cc3)c2C)C1=O ZINC000013799317 211059656 /nfs/dbraw/zinc/05/96/56/211059656.db2.gz NUWYGXQMGRSSGI-UNOMPAQXSA-N 0 0 364.445 3.753 50 30 FHEARN COc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2ccccc2C)cc1 ZINC000013595963 211043173 /nfs/dbraw/zinc/04/31/73/211043173.db2.gz LNPXOWKEEQTJHE-VORLENPISA-N 0 0 367.474 3.858 50 30 FHEARN C=CCC1=C[C@@](OC)([C@H](C)Cc2ccc3c(c2)OCO3)C(OC)=CC1=O ZINC000013480170 211035564 /nfs/dbraw/zinc/03/55/64/211035564.db2.gz SMOHLDSEWHACKE-SPLOXXLWSA-N 0 0 356.418 3.595 50 30 biogenic,in-vitro FHEARN CCOc1cc2c(cc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)O[C@H](C)C2 ZINC000012994017 211017293 /nfs/dbraw/zinc/01/72/93/211017293.db2.gz VNIQQDNXWWXDLD-ZIAGYGMSSA-N 0 0 366.417 3.686 50 30 FHEARN N#Cc1ccsc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000012975873 211013709 /nfs/dbraw/zinc/01/37/09/211013709.db2.gz AKSUQBZKUUHZRR-UHFFFAOYSA-N 0 0 373.865 3.764 50 30 FHEARN COc1ccc([C@H]2CCCN2C(=O)CCc2ccc(C#N)cc2)c(OC)c1 ZINC000011584553 210885927 /nfs/dbraw/zinc/88/59/27/210885927.db2.gz JZJRFJSHEKVNQF-HXUWFJFHSA-N 0 0 364.445 3.872 50 30 FHEARN CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCc1cc(C#N)ccc1F ZINC000011391993 210884062 /nfs/dbraw/zinc/88/40/62/210884062.db2.gz CIKHBDOECQTKCU-UHFFFAOYSA-N 0 0 371.368 3.809 50 30 FHEARN N#Cc1ccc(OCCSc2nnc(COc3ccc(F)cc3)o2)cc1 ZINC000011195505 210881323 /nfs/dbraw/zinc/88/13/23/210881323.db2.gz DEVZJUKFFXJYPG-UHFFFAOYSA-N 0 0 371.393 3.830 50 30 FHEARN COc1ccc(C(=O)C2CCN(C(=O)C=Cc3ccccc3C#N)CC2)cc1 ZINC000009985549 210859762 /nfs/dbraw/zinc/85/97/62/210859762.db2.gz MTLUPCIYYOABQA-DHZHZOJOSA-N 0 0 374.440 3.702 50 30 FHEARN COc1cc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc(Cl)c1OC ZINC000007442781 210740240 /nfs/dbraw/zinc/74/02/40/210740240.db2.gz ZJFVMJRSGKBMNE-HWKANZROSA-N 0 0 373.792 3.584 50 30 FHEARN CC(=O)C1=C(C)Oc2ncn3nc(-c4ccco4)nc3c2[C@H]1c1ccccc1 ZINC000005347054 210615317 /nfs/dbraw/zinc/61/53/17/210615317.db2.gz DAMQWNHUFUPKJX-KRWDZBQOSA-N 0 0 372.384 3.772 50 30 FHEARN O=C(C=C1NCCc2cc3c(cc21)OCO3)c1cccc(C(F)(F)F)c1 ZINC000005425713 210619989 /nfs/dbraw/zinc/61/99/89/210619989.db2.gz ZARSDVKUEPKTFM-DHDCSXOGSA-N 0 0 361.319 3.804 50 30 FHEARN Cc1ccc(S(=O)(=O)NN=C2CCC(C(C)(C)C)CC2)cc1[N+](=O)[O-] ZINC000005163573 210604261 /nfs/dbraw/zinc/60/42/61/210604261.db2.gz AERIEICUYACLGS-UHFFFAOYSA-N 0 0 367.471 3.774 50 30 FHEARN N#Cc1ccc(NC(=O)COc2ccccc2Br)cc1Cl ZINC000005037976 210594333 /nfs/dbraw/zinc/59/43/33/210594333.db2.gz MXCQLYHAWNCYDY-UHFFFAOYSA-N 0 0 365.614 3.992 50 30 FHEARN CCOc1ccc2c(c1)s/c(=N/N=C/c1cccc(OC)c1OC)n2C ZINC000004703540 210554827 /nfs/dbraw/zinc/55/48/27/210554827.db2.gz UEEYVQYSPDRGQB-IHBSRWQLSA-N 0 0 371.462 3.591 50 30 FHEARN CC(=O)[C@@H]1[C@@H](c2ccc(F)cc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N21 ZINC000004004521 210501848 /nfs/dbraw/zinc/50/18/48/210501848.db2.gz JTEMAQOLOZDCDE-NJDAHSKKSA-N 0 0 357.388 3.816 50 30 FHEARN N#Cc1ccc(COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)cc1 ZINC000003286461 210462092 /nfs/dbraw/zinc/46/20/92/210462092.db2.gz KYXCZQDMOJDJFN-UHFFFAOYSA-N 0 0 370.408 3.698 50 30 FHEARN N#Cc1c(NC(=S)NC(=O)Cc2cccs2)sc2c1CCCC2 ZINC000002316390 210390443 /nfs/dbraw/zinc/39/04/43/210390443.db2.gz HJYQDJQCIRGMPW-UHFFFAOYSA-N 0 0 361.517 3.616 50 30 FHEARN Cc1ccc(N2C(=O)[C@@](O)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1C ZINC000002385249 210395703 /nfs/dbraw/zinc/39/57/03/210395703.db2.gz JDRBLAJQKDGRAV-GOSISDBHSA-N 0 0 367.367 3.587 50 30 FHEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(O)c1 ZINC000002055402 210377792 /nfs/dbraw/zinc/37/77/92/210377792.db2.gz TWJJATUTUQUXEW-IBGZPJMESA-N 0 0 367.445 3.725 50 30 FHEARN Cc1sc(NC(=O)CSc2nnc(-c3ccco3)o2)c(C#N)c1C ZINC000002181078 210381302 /nfs/dbraw/zinc/38/13/02/210381302.db2.gz AFEHSRIGVLHMLA-UHFFFAOYSA-N 0 0 360.420 3.610 50 30 FHEARN C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCC)C2=O)cc1OC ZINC000002168061 210381015 /nfs/dbraw/zinc/38/10/15/210381015.db2.gz KEMOCCDSWTUNBX-UVTDQMKNSA-N 0 0 365.838 3.807 50 30 FHEARN COc1cccc(/C=N/c2ccccc2I)c1O ZINC000001957738 210375262 /nfs/dbraw/zinc/37/52/62/210375262.db2.gz BWDHIHMHHNMQCR-CXUHLZMHSA-N 0 0 353.159 3.756 50 30 FHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000020014784 220308714 /nfs/dbraw/zinc/30/87/14/220308714.db2.gz BZHOUBIOXXMICW-UHFFFAOYSA-N 0 0 374.400 3.630 50 30 FHEARN O=C1c2ccccc2C2=C1[C@H](c1ccccc1F)N1C(=O)CCSC1=N2 ZINC000001407035 210350547 /nfs/dbraw/zinc/35/05/47/210350547.db2.gz YOEBVNNUFUVFLA-SFHVURJKSA-N 0 0 364.401 3.810 50 30 FHEARN N#Cc1ccc(-n2cccc2)c(CS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000001403416 210349761 /nfs/dbraw/zinc/34/97/61/210349761.db2.gz FJZWUCRUBQBSDL-UHFFFAOYSA-N 0 0 356.834 3.976 50 30 FHEARN COc1ccc(-c2ncnn2-c2sc3c(c2C#N)CCCC3)cc1OC ZINC000001229499 210338300 /nfs/dbraw/zinc/33/83/00/210338300.db2.gz MVSHBAXPNAUYBX-UHFFFAOYSA-N 0 0 366.446 3.763 50 30 FHEARN COc1ccc(C(C2C(=O)CCCC2=O)C2C(=O)CCCC2=O)c(OC)c1 ZINC000001227212 210337228 /nfs/dbraw/zinc/33/72/28/210337228.db2.gz KDPDGWKPFAYHLA-UHFFFAOYSA-N 0 0 372.417 3.918 50 30 FHEARN CC1(C)CC(=O)C(=CNc2ccc(I)cc2)C(=O)C1 ZINC000001207252 210335428 /nfs/dbraw/zinc/33/54/28/210335428.db2.gz OOFMAWISACQPBV-UHFFFAOYSA-N 0 0 369.202 3.545 50 30 FHEARN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1NC(=O)c1ccccc1 ZINC000001101678 210316981 /nfs/dbraw/zinc/31/69/81/210316981.db2.gz FUVDVLPGSULEMM-UHFFFAOYSA-N 0 0 370.408 3.951 50 30 FHEARN N#Cc1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CCCC2 ZINC000000996590 210300689 /nfs/dbraw/zinc/30/06/89/210300689.db2.gz CTBPQRVTAVZHTC-SOFGYWHQSA-N 0 0 352.415 3.879 50 30 FHEARN O=S(=O)(c1ccccc1)[C@@H](N=C(Cl)Cl)C(Cl)(Cl)Cl ZINC000001056893 210309421 /nfs/dbraw/zinc/30/94/21/210309421.db2.gz LTOKMRNFPSRXSO-SSDOTTSWSA-N 0 0 369.484 3.990 50 30 FHEARN CCOC(=O)c1ccc(NC(=S)N/N=C/c2ccccc2Cl)cc1 ZINC000001040430 210305808 /nfs/dbraw/zinc/30/58/08/210305808.db2.gz BWJRJAHUOCCXGZ-YBFXNURJSA-N 0 0 361.854 3.837 50 30 FHEARN COc1cc(OC)c(C=C2C(=O)c3ccccc3C2=O)cc1Br ZINC000000980607 210296843 /nfs/dbraw/zinc/29/68/43/210296843.db2.gz XMGCELRRHGSGLZ-UHFFFAOYSA-N 0 0 373.202 3.929 50 30 FHEARN CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000000852325 210281228 /nfs/dbraw/zinc/28/12/28/210281228.db2.gz KLRXIUIRVCCKFE-SFHVURJKSA-N 0 0 355.821 3.867 50 30 FHEARN CC(O)=C1C(=O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccccc1F ZINC000000849084 210281294 /nfs/dbraw/zinc/28/12/94/210281294.db2.gz FIDNKRFYVNCMDJ-MRXNPFEDSA-N 0 0 368.389 3.924 50 30 FHEARN C=CCSc1ccccc1NC(=O)CCn1c2ccccc2n(C)c1=O ZINC000021447923 220358725 /nfs/dbraw/zinc/35/87/25/220358725.db2.gz OXJGLAGUHBAOEY-UHFFFAOYSA-N 0 0 367.474 3.647 50 30 FHEARN N#Cc1cccc(OCCn2cnc3c(Cl)cc(Cl)cc3c2=O)c1 ZINC000047368518 220992116 /nfs/dbraw/zinc/99/21/16/220992116.db2.gz LNFCIPHEBUQCTL-UHFFFAOYSA-N 0 0 360.200 3.654 50 30 FHEARN C=CCCOCC(=O)Nc1ccc(Br)cc1Br ZINC000048374192 221012422 /nfs/dbraw/zinc/01/24/22/221012422.db2.gz VTYITRGJWXWCBP-UHFFFAOYSA-N 0 0 363.049 3.743 50 30 FHEARN Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2ccc(C#N)cc2)cc1C ZINC000065084757 221167447 /nfs/dbraw/zinc/16/74/47/221167447.db2.gz UZYGDUAMDCOTAX-UHFFFAOYSA-N 0 0 357.413 3.846 50 30 FHEARN C[C@@H](C(=O)Nc1cccc(C#N)c1)n1c(-c2cccs2)n[nH]c1=S ZINC000065478198 221223890 /nfs/dbraw/zinc/22/38/90/221223890.db2.gz FKVXSOAIEOZXJA-JTQLQIEISA-N 0 0 355.448 3.741 50 30 FHEARN N#Cc1ccc(O)c(-n2ccnc2-c2ccc(Oc3ncccn3)cc2)c1 ZINC000067724449 221276509 /nfs/dbraw/zinc/27/65/09/221276509.db2.gz QWLFYNLJXNLDLD-UHFFFAOYSA-N 0 0 355.357 3.699 50 30 FHEARN CCCCc1nc(-c2cc(-c3ccc(O)c(OC)c3)nc(N)c2C#N)c[nH]1 ZINC000067921064 221305626 /nfs/dbraw/zinc/30/56/26/221305626.db2.gz WHCDAZVTAPYBEJ-UHFFFAOYSA-N 0 0 363.421 3.649 50 30 FHEARN CC(=O)Nc1ccc(-c2cc(-c3ccc(O)cc3C)nc(N)c2C#N)cc1 ZINC000071388668 221345379 /nfs/dbraw/zinc/34/53/79/221345379.db2.gz CSGUMPZSWKHJTL-UHFFFAOYSA-N 0 0 358.401 3.842 50 30 FHEARN N#Cc1c(N)nc(-c2cc(F)cc(F)c2)cc1-c1cccc(OCCO)c1 ZINC000071748994 221360395 /nfs/dbraw/zinc/36/03/95/221360395.db2.gz ZLMCRDHUSHQMCA-UHFFFAOYSA-N 0 0 367.355 3.519 50 30 FHEARN Cn1cc(-c2cc(-c3ccc(C(F)(F)F)cc3F)nc(N)c2C#N)cn1 ZINC000071753778 221363854 /nfs/dbraw/zinc/36/38/54/221363854.db2.gz ZYJNPKBXHDJKII-UHFFFAOYSA-N 0 0 361.302 3.761 50 30 FHEARN C[C@@]1(c2ccc(-c3ccc(Br)cc3)cc2)O[C@H](O)C=CC1=O ZINC000071769383 221373715 /nfs/dbraw/zinc/37/37/15/221373715.db2.gz SRVMANVGDMJQHJ-ROUUACIJSA-N 0 0 359.219 3.805 50 30 FHEARN COC(=O)O[C@H]1C=CC(=O)[C@@H](C2c3ccccc3CCc3ccccc32)O1 ZINC000071769415 221374076 /nfs/dbraw/zinc/37/40/76/221374076.db2.gz SBYGZTOCAMEYRE-FPOVZHCZSA-N 0 0 364.397 3.550 50 30 FHEARN C[C@@H](Nc1cccc(F)c1C#N)c1cc(F)ccc1N1CCC(O)CC1 ZINC000078559900 132190822 /nfs/dbraw/zinc/19/08/22/132190822.db2.gz FGLLOMBCTXZAKC-CYBMUJFWSA-N 0 0 357.404 3.971 50 30 FHEARN C=CCSc1nc2c(sc3nc(C)cc(C)c32)c(N2CCOCC2)n1 ZINC000005697951 132306053 /nfs/dbraw/zinc/30/60/53/132306053.db2.gz PQVCZMSHYHXLJU-UHFFFAOYSA-N 0 0 372.519 3.971 50 30 FHEARN CC(C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@H](C)C1 ZINC000002322637 132383215 /nfs/dbraw/zinc/38/32/15/132383215.db2.gz IUYNOHCDQWSYCD-OWCLPIDISA-N 0 0 366.465 3.671 50 30 FHEARN N#Cc1ccc(NC(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1 ZINC000040128408 136119384 /nfs/dbraw/zinc/11/93/84/136119384.db2.gz TXPHSYCLOMCDKJ-AWEZNQCLSA-N 0 0 374.366 3.827 50 30 FHEARN N#Cc1ccc(C(=O)Nc2ccc3ncnc(N4CCCCC4)c3c2)cc1 ZINC000065149122 136135081 /nfs/dbraw/zinc/13/50/81/136135081.db2.gz QGYNXQJEMGWOTF-UHFFFAOYSA-N 0 0 357.417 3.744 50 30 FHEARN CCN1C/C(=C\c2ccc(C#N)cc2)C(=O)/C(=C/c2ccc(C#N)cc2)C1 ZINC000096766865 222128536 /nfs/dbraw/zinc/12/85/36/222128536.db2.gz CLYIOMCWAICOQA-XHQRYOPUSA-N 0 0 353.425 3.802 50 30 FHEARN CCCOc1cc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)ccc1OC ZINC000096792618 222130865 /nfs/dbraw/zinc/13/08/65/222130865.db2.gz VXLZPVPELFXSMN-PTNGSMBKSA-N 0 0 372.442 3.538 50 30 FHEARN O=C(/C=C\c1ccc(Br)s1)c1ccc2c(c1)NC(=O)CO2 ZINC000096920177 222140246 /nfs/dbraw/zinc/14/02/46/222140246.db2.gz IDIHDTBQFKPJNN-RQOWECAXSA-N 0 0 364.220 3.738 50 30 FHEARN N#Cc1ccc(/C=C\C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000096925065 222140304 /nfs/dbraw/zinc/14/03/04/222140304.db2.gz WQSNVOGHOMQQSP-JNLAIUADSA-N 0 0 360.413 3.706 50 30 FHEARN COc1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)NC2=O)cc1O ZINC000097990596 222218917 /nfs/dbraw/zinc/21/89/17/222218917.db2.gz MWMPGEXMSPFKMN-MHWRWJLKSA-N 0 0 354.431 3.909 50 30 FHEARN C[C@H](OC(=O)/C=C\c1cccc2cccnc12)C(=O)Nc1cccc(C#N)c1 ZINC000098003335 222220174 /nfs/dbraw/zinc/22/01/74/222220174.db2.gz ZXTMKWRNXIWIIA-WOLCWHLNSA-N 0 0 371.396 3.690 50 30 FHEARN O=C(/C=C\c1c(Cl)nc2sccn12)c1ccc2c(c1)CCC(=O)N2 ZINC000098054943 222222595 /nfs/dbraw/zinc/22/25/95/222222595.db2.gz RAERUINEODKKLX-PLNGDYQASA-N 0 0 357.822 3.830 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(O)cc1 ZINC000100066745 222234383 /nfs/dbraw/zinc/23/43/83/222234383.db2.gz RPUFWMDMKAQHTF-GOSISDBHSA-N 0 0 361.397 3.524 50 30 FHEARN CCCC(Nc1ccc(OC)cc1)=C1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000100162994 222238281 /nfs/dbraw/zinc/23/82/81/222238281.db2.gz DOVKOPOVJWJYHP-SOBQPUOHSA-N 0 0 373.449 3.519 50 30 FHEARN N#Cc1c2c(sc1N1C(=O)[C@@H]3CC=C(Cl)C[C@H]3C1=O)CCCCC2 ZINC000100709471 222250015 /nfs/dbraw/zinc/25/00/15/222250015.db2.gz RRSKSLDMAKYXOF-CHWSQXEVSA-N 0 0 360.866 3.911 50 30 FHEARN N#Cc1c(=N)n2c(cc1-c1ccccc1F)-c1cc3c(cc1CC2)OCO3 ZINC000101351339 222271647 /nfs/dbraw/zinc/27/16/47/222271647.db2.gz MNUQXXTXTCBSGL-UHFFFAOYSA-N 0 0 359.360 3.597 50 30 FHEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(F)cc1 ZINC000102406204 222294621 /nfs/dbraw/zinc/29/46/21/222294621.db2.gz UEYXBXIFMOLEFL-UFIXSJTLSA-N 0 0 371.437 3.806 50 30 FHEARN CC1=CC(=O)C(=C2C[C@H](c3cccc(O)c3)Nc3ccccc3N2)C(=O)O1 ZINC000102443791 222296164 /nfs/dbraw/zinc/29/61/64/222296164.db2.gz CTTRWDJQXLVNOS-QTIQAUKSSA-N 0 0 362.385 3.645 50 30 FHEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccccc2)no1 ZINC000102888930 222311368 /nfs/dbraw/zinc/31/13/68/222311368.db2.gz IAYVZBZKVMSPJY-WOOAAIBNSA-N 0 0 374.396 3.918 50 30 FHEARN CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2ccc[nH]2)C1=O ZINC000000664792 263141202 /nfs/dbraw/zinc/14/12/02/263141202.db2.gz SOUGNQDMUTYHMY-PTNGSMBKSA-N 0 0 370.430 3.567 50 30 FHEARN Cc1ccc(C(=O)OCC(=O)N(CCC#N)c2ccc(F)cc2)cc1C ZINC000003530379 263329965 /nfs/dbraw/zinc/32/99/65/263329965.db2.gz AKTADOXGZDIGRU-UHFFFAOYSA-N 0 0 354.381 3.546 50 30 FHEARN C=CCn1c(SCC(=O)c2ccc(F)c(C)c2)nnc1-c1ccncc1 ZINC000005067938 263338724 /nfs/dbraw/zinc/33/87/24/263338724.db2.gz IFZRBCNVKOFMEW-UHFFFAOYSA-N 0 0 368.437 3.949 50 30 FHEARN C=CCn1c(SCC(=O)Nc2cc(C)no2)nnc1C1CCCCC1 ZINC000008987394 263358125 /nfs/dbraw/zinc/35/81/25/263358125.db2.gz QHRIZRPSTNVIHK-UHFFFAOYSA-N 0 0 361.471 3.539 50 30 FHEARN Cc1cccc2[nH]c(C(=O)OCC(=O)N(CCC#N)c3ccccc3)cc21 ZINC000009335801 263361496 /nfs/dbraw/zinc/36/14/96/263361496.db2.gz OGAIXRIGRDKPSL-UHFFFAOYSA-N 0 0 361.401 3.580 50 30 FHEARN C=C(C)CN(CC)C(=O)c1coc(COc2ccc3ncccc3c2)n1 ZINC000012448793 263370794 /nfs/dbraw/zinc/37/07/94/263370794.db2.gz YXSPRANGJVYSDY-UHFFFAOYSA-N 0 0 351.406 3.840 50 30 FHEARN Brc1ccccc1/C=N/N1CCN(Cc2ccccc2)CC1 ZINC000019771444 263376767 /nfs/dbraw/zinc/37/67/67/263376767.db2.gz HIKONUUVCMZDNT-XSFVSMFZSA-N 0 0 358.283 3.601 50 30 FHEARN O=C1Nc2ccc(Cl)cc2C1=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000020823343 263382685 /nfs/dbraw/zinc/38/26/85/263382685.db2.gz CCRLYGNWKOQAEH-UHFFFAOYSA-N 0 0 361.701 3.574 50 30 FHEARN C[C@H](CCCC(C)(C)O)NC(=O)c1cccc(-c2cc(C#N)ccn2)c1 ZINC000426490616 263605374 /nfs/dbraw/zinc/60/53/74/263605374.db2.gz NOSITOYDRWYLEL-OAHLLOKOSA-N 0 0 351.450 3.680 50 30 FHEARN CC(=O)N(C1=C(N2CCCC2)C(=O)c2ccccc2C1=O)C1CCCCC1 ZINC000004769997 517350023 /nfs/dbraw/zinc/35/00/23/517350023.db2.gz MUPVAZSWSSHJCT-UHFFFAOYSA-N 0 0 366.461 3.554 50 30 FHEARN COC(=O)c1occc1/C=C/C(=O)c1ccc(F)c(Br)c1 ZINC000032865778 518032747 /nfs/dbraw/zinc/03/27/47/518032747.db2.gz MUCLKOASANWCHX-HWKANZROSA-N 0 0 353.143 3.864 50 30 FHEARN c1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1 ZINC000004180244 518376973 /nfs/dbraw/zinc/37/69/73/518376973.db2.gz GFOUKZLYBIACKZ-RCCKNPSSSA-N 0 0 359.437 3.661 50 30 FHEARN C/C(=N/OC(=O)c1c(C)onc1-c1ccccc1Cl)c1cnccn1 ZINC000005721517 518455262 /nfs/dbraw/zinc/45/52/62/518455262.db2.gz TYJQMXJTNQFNRR-FBHDLOMBSA-N 0 0 356.769 3.674 50 30 FHEARN C=C(C)[C@@H]1C[C@@H](C)[C@](C)([C@@H]2C[C@@H]3CCO[C@@H]3O2)C(=O)[C@@]1(C#N)CCC(C)=O ZINC000261491218 518644276 /nfs/dbraw/zinc/64/42/76/518644276.db2.gz LKBXZGOYUUFKQX-MTDYYZEBSA-N 0 0 373.493 3.825 50 30 FHEARN C=C1[C@@H]2C[C@H](C[C@@H]1OC(=O)CCCc1nc3ccccc3c(=O)[nH]1)C2(C)C ZINC000225691073 518668456 /nfs/dbraw/zinc/66/84/56/518668456.db2.gz UTPUJULVJGYUPZ-HFTRVMKXSA-N 0 0 366.461 3.780 50 30 FHEARN C=CCC[C@@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036103161 518718970 /nfs/dbraw/zinc/71/89/70/518718970.db2.gz APARHHCPAXKCFK-GOSISDBHSA-N 0 0 357.425 3.884 50 30 FHEARN C=CCN(C(=O)CCc1cnn(C)c1)c1nc(-c2ccccc2)cs1 ZINC000054915886 518731885 /nfs/dbraw/zinc/73/18/85/518731885.db2.gz CTSFCQZCEMFBRU-UHFFFAOYSA-N 0 0 352.463 3.695 50 30 FHEARN C=CCN(CC=C)C(=O)CSc1nnc(Nc2ccc(C)cc2)s1 ZINC000004835623 518764437 /nfs/dbraw/zinc/76/44/37/518764437.db2.gz NSTFJPHSCAVNRG-UHFFFAOYSA-N 0 0 360.508 3.883 50 30 FHEARN C=CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)COc1ccccc1 ZINC000007720941 518796239 /nfs/dbraw/zinc/79/62/39/518796239.db2.gz SCFPYEQVEYYDMP-UHFFFAOYSA-N 0 0 363.417 3.639 50 30 FHEARN C=CCNc1ccccc1C(=O)N(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000055413448 518961039 /nfs/dbraw/zinc/96/10/39/518961039.db2.gz XKLMNYWOBHIDAY-SFHVURJKSA-N 0 0 351.450 3.501 50 30 FHEARN C=CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)cc1 ZINC000004574941 519039568 /nfs/dbraw/zinc/03/95/68/519039568.db2.gz WNHANOPIIIHNGB-INIZCTEOSA-N 0 0 350.418 3.551 50 30 FHEARN C=CCSc1ccccc1NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000042470274 519079448 /nfs/dbraw/zinc/07/94/48/519079448.db2.gz DTHYQCLYKHRAJP-INIZCTEOSA-N 0 0 373.522 3.831 50 30 FHEARN C=CCSc1nc2n(n1)[C@H](c1ccc(OC)cc1)C1C(=O)CCCC1=N2 ZINC000004436266 519083172 /nfs/dbraw/zinc/08/31/72/519083172.db2.gz CFDRRFHZZDGURP-QGZVFWFLSA-N 0 0 368.462 3.587 50 30 FHEARN C=CCSc1nc2ccccc2n1CC(=O)NCc1ccccc1OC ZINC000012520336 519083813 /nfs/dbraw/zinc/08/38/13/519083813.db2.gz IRKMBACRSZKRJA-UHFFFAOYSA-N 0 0 367.474 3.639 50 30 FHEARN C=CCSc1nnc(CNC(=O)c2ccc(F)cc2)n1-c1ccccc1 ZINC000004052706 519085392 /nfs/dbraw/zinc/08/53/92/519085392.db2.gz OFZWVMSYZSMJJY-UHFFFAOYSA-N 0 0 368.437 3.615 50 30 FHEARN C=CCSc1nnc(NC(=O)CSc2ccc(F)c(F)c2)s1 ZINC000014094325 519087553 /nfs/dbraw/zinc/08/75/53/519087553.db2.gz JKHDFCQOEKTRSL-UHFFFAOYSA-N 0 0 359.448 3.825 50 30 FHEARN C=CC[C@@H]1S/C(=N\N=C\c2ccc(OCc3ccccc3)cc2)NC1=O ZINC000008336944 519108733 /nfs/dbraw/zinc/10/87/33/519108733.db2.gz SCGSWNHBPLTURS-LANLRWRYSA-N 0 0 365.458 3.763 50 30 FHEARN C=CCc1ccc(OCC(=O)Nc2ccc3oc(C)nc3c2)c(OC)c1 ZINC000015594590 519135710 /nfs/dbraw/zinc/13/57/10/519135710.db2.gz FGNPMLJXAAKCRC-UHFFFAOYSA-N 0 0 352.390 3.891 50 30 FHEARN C=CCn1c(C)cc(C(=O)CSc2nc(C)c(C)n2CCOC)c1C ZINC000032893991 519170729 /nfs/dbraw/zinc/17/07/29/519170729.db2.gz MKXDWOWVZSIPPA-UHFFFAOYSA-N 0 0 361.511 3.726 50 30 FHEARN C=CCn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1cccc(C)c1 ZINC000004356846 519201425 /nfs/dbraw/zinc/20/14/25/519201425.db2.gz AKNTURQNIZQITH-UHFFFAOYSA-N 0 0 370.522 3.790 50 30 FHEARN C=CCn1c(SCCOc2ccc(OC)cc2)nnc1-c1ccco1 ZINC000007341764 519234717 /nfs/dbraw/zinc/23/47/17/519234717.db2.gz CLDAJTDUZCHKKE-UHFFFAOYSA-N 0 0 357.435 3.904 50 30 FHEARN C=CCn1c(S[C@H](C(N)=O)c2ccc(F)cc2)nnc1-c1ccccc1 ZINC000008748459 519254901 /nfs/dbraw/zinc/25/49/01/519254901.db2.gz OJMQZVBQQCIMOP-INIZCTEOSA-N 0 0 368.437 3.589 50 30 FHEARN C=CCn1c2c(cccc2OC)s/c1=N\C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000100909556 519261653 /nfs/dbraw/zinc/26/16/53/519261653.db2.gz ZCNIFCHWMONLJZ-HNENSFHCSA-N 0 0 369.402 3.547 50 30 FHEARN C=CCn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)c1ccc(F)cc1 ZINC000100874196 519261726 /nfs/dbraw/zinc/26/17/26/519261726.db2.gz CKFHYZYXNAJCDJ-VZCXRCSSSA-N 0 0 370.405 3.556 50 30 FHEARN CC(=O)/C(=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)C ZINC000006171259 519352119 /nfs/dbraw/zinc/35/21/19/519352119.db2.gz KVMGXKOHIGBNEF-UYRXBGFRSA-N 0 0 352.386 3.830 50 30 FHEARN CCCCCCCCCS(=O)(=O)N/N=C/c1cccc([N+](=O)[O-])c1 ZINC000003140793 520029763 /nfs/dbraw/zinc/02/97/63/520029763.db2.gz WEPPRKDCHDCPTB-SAPNQHFASA-N 0 0 355.460 3.599 50 30 FHEARN CCCCCCC[C@]1(C)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O ZINC000102792068 520070404 /nfs/dbraw/zinc/07/04/04/520070404.db2.gz XAFNCYACATWAMF-FQEVSTJZSA-N 0 0 357.454 3.608 50 30 FHEARN CCNC(=S)NN=Cc1ccc(OCCOc2ccccc2C)cc1 ZINC000008653738 520204811 /nfs/dbraw/zinc/20/48/11/520204811.db2.gz IVIVPEGOSRUGDT-KGENOOAVSA-N 0 0 357.479 3.682 50 30 FHEARN CCNc1c2ccccc2oc(=O)c1NC(=O)NCc1cccc(OC)c1 ZINC000028048708 520256107 /nfs/dbraw/zinc/25/61/07/520256107.db2.gz GODZZHPEACJPEQ-UHFFFAOYSA-N 0 0 367.405 3.760 50 30 FHEARN CCOC(=NC(=O)c1cccc(OC)c1)N[C@H]1CCCc2ccccc21 ZINC000004752207 520390728 /nfs/dbraw/zinc/39/07/28/520390728.db2.gz SYUOTRSWNPZRIE-IBGZPJMESA-N 0 0 352.434 3.895 50 30 FHEARN CC1(C)Cc2cccc(OCC(=O)[C@H](C#N)c3nc4ccccc4[nH]3)c2O1 ZINC000006313649 520582015 /nfs/dbraw/zinc/58/20/15/520582015.db2.gz PQXRPTWXDKPOHZ-AWEZNQCLSA-N 0 0 361.401 3.532 50 30 FHEARN CCOc1ccc(C2N=NC(=S)N2NN=Cc2ccc(C)cc2)cc1 ZINC000006876065 520824171 /nfs/dbraw/zinc/82/41/71/520824171.db2.gz ZQZMVKMHLRLOFB-XDHOZWIPSA-N 0 0 353.451 3.519 50 30 FHEARN CCOC(=O)c1c(C)[nH]c(C(=O)/C=C\c2ccc(OC)cc2OC)c1C ZINC000096792235 521375179 /nfs/dbraw/zinc/37/51/79/521375179.db2.gz KNZZAWJJZJAPPA-NTMALXAHSA-N 0 0 357.406 3.722 50 30 FHEARN CCSc1ccccc1C(=O)OCC(=O)N(CC#N)c1ccccc1 ZINC000024872381 521773022 /nfs/dbraw/zinc/77/30/22/521773022.db2.gz OAICTOLCZCAPCO-UHFFFAOYSA-N 0 0 354.431 3.512 50 30 FHEARN CCSc1nncn1/N=C/c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000036611451 521799069 /nfs/dbraw/zinc/79/90/69/521799069.db2.gz DQNWMOYWWNZHCU-SRZZPIQSSA-N 0 0 368.462 3.933 50 30 FHEARN COc1cc(/C=C/C(=O)OCCCOc2ccccc2)ccc1OCC#N ZINC000025402178 521935378 /nfs/dbraw/zinc/93/53/78/521935378.db2.gz PNYUJAOZZHRXLN-PKNBQFBNSA-N 0 0 367.401 3.623 50 30 FHEARN COc1cc(C=Nn2cn[nH]c2=S)ccc1OCc1ccccc1F ZINC000005483437 522002148 /nfs/dbraw/zinc/00/21/48/522002148.db2.gz XYWNAEZXVSRHED-AWQFTUOYSA-N 0 0 358.398 3.550 50 30 FHEARN CC[C@H](C)n1c(SCC(=O)N(C)C(C)(C)C#N)nnc1-c1ccccc1 ZINC000058249789 522071450 /nfs/dbraw/zinc/07/14/50/522071450.db2.gz MUXYNCVMCGFRGE-AWEZNQCLSA-N 0 0 371.510 3.769 50 30 FHEARN CCc1nc(C#N)c(N2CCC(c3nc(-c4ccc(C)s4)no3)CC2)o1 ZINC000080344583 522155906 /nfs/dbraw/zinc/15/59/06/522155906.db2.gz XEMAWOQVNAAQTM-UHFFFAOYSA-N 0 0 369.450 3.913 50 30 FHEARN COc1cc(C(=O)O/N=C2/CCSc3ccccc32)cc(OC)c1OC ZINC000006180815 522168444 /nfs/dbraw/zinc/16/84/44/522168444.db2.gz NALAOYXZTYMOSO-ZHZULCJRSA-N 0 0 373.430 3.769 50 30 FHEARN COc1ccc(C(=O)/C=C\c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC ZINC000096766935 523545044 /nfs/dbraw/zinc/54/50/44/523545044.db2.gz VPTOLZREMUECPH-ALCCZGGFSA-N 0 0 373.361 3.525 50 30 FHEARN COc1ccc(C(=O)C[C@H](C#N)c2ccc(OC)c(OC)c2)cc1OC ZINC000001615074 523593105 /nfs/dbraw/zinc/59/31/05/523593105.db2.gz KNSUGJPUWURPHN-OAHLLOKOSA-N 0 0 355.390 3.601 50 30 biogenic FHEARN COc1ccc(C2(C/N=C/c3ccc(O)cc3)CCOCC2)cc1OC ZINC000018122361 523866663 /nfs/dbraw/zinc/86/66/63/523866663.db2.gz UUTRDSKWQOIDLJ-HYARGMPZSA-N 0 0 355.434 3.577 50 30 FHEARN Cc1ccc(OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)c([N+](=O)[O-])n1 ZINC000008411233 525377358 /nfs/dbraw/zinc/37/73/58/525377358.db2.gz ACFVLSKGXTWYNF-WOJGMQOQSA-N 0 0 367.405 3.558 50 30 FHEARN Cc1[nH]c2ccc(C(=O)O[C@@H](C)C(=O)NC3(C#N)CCCCC3)cc2c1C ZINC000009552076 525424713 /nfs/dbraw/zinc/42/47/13/525424713.db2.gz UELCVGRXWOHXNR-HNNXBMFYSA-N 0 0 367.449 3.673 50 30 FHEARN COc1cccc(C(=O)C(C#N)=NNc2cccc(-c3ccnc(C)n3)c2)c1 ZINC000015919739 525780575 /nfs/dbraw/zinc/78/05/75/525780575.db2.gz PRCHBSXXKSNQKI-LHLOQNFPSA-N 0 0 371.400 3.635 50 30 FHEARN Cc1ccc([C@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)CCC3)o1 ZINC000018168084 525983113 /nfs/dbraw/zinc/98/31/13/525983113.db2.gz WIOGEZIINGXNPI-FQEVSTJZSA-N 0 0 373.449 3.524 50 30 FHEARN Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000008740946 525985071 /nfs/dbraw/zinc/98/50/71/525985071.db2.gz NVSMULMEAAKZFT-IBGZPJMESA-N 0 0 374.396 3.762 50 30 FHEARN Cc1cc(/C=C\C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc(C)c1OC(F)F ZINC000050665994 526093443 /nfs/dbraw/zinc/09/34/43/526093443.db2.gz KWFOBFOGPOOQLB-UTCJRWHESA-N 0 0 358.344 3.971 50 30 FHEARN N#CCC[C@H](C#N)CSc1nnc(-c2cccnc2)n1-c1ccccc1 ZINC000012526473 526465327 /nfs/dbraw/zinc/46/53/27/526465327.db2.gz FOTYCVFNAMUJKA-OAHLLOKOSA-N 0 0 360.446 3.865 50 30 FHEARN N#CC(C(=O)NCCC1=CCCCC1)c1nc2ccccc2nc1Cl ZINC000011692172 526491318 /nfs/dbraw/zinc/49/13/18/526491318.db2.gz NCDISMGNCKMIBY-CQSZACIVSA-N 0 0 354.841 3.897 50 30 FHEARN O=C(CCSc1nnc(NN=C2CCCCC2)[nH]1)Nc1ccccc1 ZINC000020523238 526546096 /nfs/dbraw/zinc/54/60/96/526546096.db2.gz QPLATZLKAYSFOS-UHFFFAOYSA-N 0 0 358.471 3.658 50 30 FHEARN N#Cc1cccc(NC(=O)Cn2c(=N)sc3ccc4ccccc4c32)c1 ZINC000334157837 526717757 /nfs/dbraw/zinc/71/77/57/526717757.db2.gz UZTQSGKCFLLGDW-UHFFFAOYSA-N 0 0 358.426 3.846 50 30 FHEARN O=C(COc1ccc(Cl)cc1Cl)O/N=C/c1cccc([N+](=O)[O-])c1 ZINC000003139788 526956045 /nfs/dbraw/zinc/95/60/45/526956045.db2.gz CZGYTAHQFFFSDA-QGMBQPNBSA-N 0 0 369.160 3.858 50 30 FHEARN O=C1C=Cc2ccccc2C1=NNc1ccc(I)cc1 ZINC000252428544 526960715 /nfs/dbraw/zinc/96/07/15/526960715.db2.gz KYUHUTQTMRJCBG-UHFFFAOYSA-N 0 0 374.181 3.703 50 30 FHEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000241383526 527005362 /nfs/dbraw/zinc/00/53/62/527005362.db2.gz MWALMTJKXYVLMQ-YESZJQIVSA-N 0 0 355.482 3.683 50 30 FHEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc(C2CC2)n1C ZINC000018100481 527080733 /nfs/dbraw/zinc/08/07/33/527080733.db2.gz HYLGLJGBLKVFLG-BOPFTXTBSA-N 0 0 368.506 3.665 50 30 FHEARN O=S(=O)(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccccc1 ZINC000002390482 527202770 /nfs/dbraw/zinc/20/27/70/527202770.db2.gz ROHMQNRVYUDJSJ-RCCKNPSSSA-N 0 0 366.442 3.578 50 30 FHEARN Cc1nn(-c2ccccc2)c(C)c1/C=N/N1CCN(Cc2ccccc2)CC1 ZINC000019893370 527537600 /nfs/dbraw/zinc/53/76/00/527537600.db2.gz FOORCIAZMIWALX-JJIBRWJFSA-N 0 0 373.504 3.641 50 30 in-vitro FHEARN Cc1nn(-c2ccccc2)c(C)c1C=NN1CCN(Cc2ccccc2)CC1 ZINC000252429345 527540471 /nfs/dbraw/zinc/54/04/71/527540471.db2.gz FOORCIAZMIWALX-UHFFFAOYSA-N 0 0 373.504 3.641 50 30 FHEARN O=C(/C(=N\Nc1ccccc1)c1nc2ccccc2oc1=O)c1ccccc1 ZINC000017201709 527593319 /nfs/dbraw/zinc/59/33/19/527593319.db2.gz FOIOQRDLZZMGHE-PLRJNAJWSA-N 0 0 369.380 3.887 50 30 FHEARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(N2CCOCC2)c1 ZINC000011334620 527606526 /nfs/dbraw/zinc/60/65/26/527606526.db2.gz RXFMDFLQKQLQIQ-FNORWQNLSA-N 0 0 372.808 3.981 50 30 FHEARN COc1cccc(-c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)c1 ZINC000096346488 537066455 /nfs/dbraw/zinc/06/64/55/537066455.db2.gz ZXOCUUPZNNRPEW-UHFFFAOYSA-N 0 0 360.417 3.548 50 30 FHEARN COc1ccccc1NC(=O)CSc1nc(-c2ccco2)ccc1C#N ZINC000012250981 567894200 /nfs/dbraw/zinc/89/42/00/567894200.db2.gz CGCCCKUPLVEVTB-UHFFFAOYSA-N 0 0 365.414 3.953 50 30 FHEARN C[C@H](Oc1ccc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)cc1)C(=O)[O-] ZINC000215828857 568091085 /nfs/dbraw/zinc/09/10/85/568091085.db2.gz JUTWYLUIILPASM-KRWDZBQOSA-N 0 0 364.445 3.596 50 30 FHEARN N#C[C@H]1CCCN(Cc2cc(Cl)ccc2OCCCn2ccnc2)C1 ZINC000216179722 568110145 /nfs/dbraw/zinc/11/01/45/568110145.db2.gz FBVBAICQHOLROQ-MRXNPFEDSA-N 0 0 358.873 3.741 50 30 FHEARN CCNC(=S)N=NCc1ccc(OCCc2ccccc2)c(OC)c1 ZINC000012374204 568542721 /nfs/dbraw/zinc/54/27/21/568542721.db2.gz RXBPHALZESHOLB-STZFKDTASA-N 0 0 357.479 3.546 50 30 FHEARN CCNC(=S)N=NCc1ccc(OCc2ccccc2C)c(OC)c1 ZINC000012374198 568542728 /nfs/dbraw/zinc/54/27/28/568542728.db2.gz RFLRSVZUYRPRLI-MTJSOVHGSA-N 0 0 357.479 3.812 50 30 FHEARN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C2\C(=O)Nc3ccccc32)S1 ZINC000034222299 568587501 /nfs/dbraw/zinc/58/75/01/568587501.db2.gz DFBCRGBYBJYDRL-CCEZHUSRSA-N 0 0 369.833 3.862 50 30 FHEARN CCC(=O)Nc1ccc(/N=C/c2ccc(I)o2)cc1 ZINC000000680954 570448642 /nfs/dbraw/zinc/44/86/42/570448642.db2.gz UXIVTPIQVXUUPC-CXUHLZMHSA-N 0 0 368.174 3.983 50 30 FHEARN COc1cccc(Oc2ccc(NC(=O)N3CCC[C@H](C#N)C3)cn2)c1 ZINC000096180871 570478912 /nfs/dbraw/zinc/47/89/12/570478912.db2.gz VPBQOSQYJWAMTA-CQSZACIVSA-N 0 0 352.394 3.650 50 30 FHEARN CCOc1cc(/C=C2\N=C(SC)SC2=O)cc(Cl)c1OC(C)=O ZINC000002882617 570542861 /nfs/dbraw/zinc/54/28/61/570542861.db2.gz SSDUOGKRNOHLFI-WDZFZDKYSA-N 0 0 371.867 3.997 50 30 FHEARN Cc1sc(C2=C(N)N(c3ccc(F)cc3)CC2=O)nc1-c1ccccc1 ZINC000034770111 570553040 /nfs/dbraw/zinc/55/30/40/570553040.db2.gz PRJGPODGFCIKRR-UHFFFAOYSA-N 0 0 365.433 3.974 50 30 FHEARN C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/N=C/c1cccs1 ZINC000004899056 570556000 /nfs/dbraw/zinc/55/60/00/570556000.db2.gz RRXCQTIWJNRWFD-QHUXICGISA-N 0 0 355.488 3.811 50 30 FHEARN Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2Cl)cc1 ZINC000003276831 570556578 /nfs/dbraw/zinc/55/65/78/570556578.db2.gz OKSFNMZZGILCOI-OAHLLOKOSA-N 0 0 357.822 3.630 50 30 FHEARN CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CCC2 ZINC000003901589 570571171 /nfs/dbraw/zinc/57/11/71/570571171.db2.gz KJOYYSABLGJKAE-LJQANCHMSA-N 0 0 355.434 3.616 50 30 FHEARN Cc1nc(C(F)(F)F)c(C(=O)ONC(=N)c2ccc(Cl)cc2)s1 ZINC000004394866 570589730 /nfs/dbraw/zinc/58/97/30/570589730.db2.gz CKHJTLFBKABIEW-UHFFFAOYSA-N 0 0 363.748 3.601 50 30 FHEARN CN1C(=O)/C(=C2/C(=O)Nc3ccccc32)S/C1=N\c1ccc(Cl)cc1 ZINC000004470467 570591701 /nfs/dbraw/zinc/59/17/01/570591701.db2.gz BQFSPZWMEVVSOB-MMMFIMJISA-N 0 0 369.833 3.896 50 30 FHEARN CCOc1ccc2c(c1)/C(=N\N=C1/C[C@H](c3ccccc3)N=N1)C(=O)N2C ZINC000100734973 570596107 /nfs/dbraw/zinc/59/61/07/570596107.db2.gz LTSMYVCXOYZSDC-AMWGEBFMSA-N 0 0 361.405 3.762 50 30 FHEARN CN1c2cc3c(cc2S/C1=C\C(=O)c1cccc([N+](=O)[O-])c1)OCO3 ZINC000004567604 570596868 /nfs/dbraw/zinc/59/68/68/570596868.db2.gz YWJXZRCNJCILLU-IDUWFGFVSA-N 0 0 356.359 3.590 50 30 FHEARN CCOC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2ccco2)C1=O ZINC000004602451 570597649 /nfs/dbraw/zinc/59/76/49/570597649.db2.gz MVGYVVJYNCRJBC-UVTDQMKNSA-N 0 0 359.378 3.962 50 30 FHEARN CSc1ccc([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1 ZINC000100791014 570600579 /nfs/dbraw/zinc/60/05/79/570600579.db2.gz YALLSRQOZOEILL-HNNXBMFYSA-N 0 0 350.395 3.772 50 30 FHEARN C=CCOc1c(Cl)cc([C@@H]2NC(=O)NC(C)=C2C(C)=O)cc1Cl ZINC000004811255 570607812 /nfs/dbraw/zinc/60/78/12/570607812.db2.gz NCGRQPVBRYYHIR-AWEZNQCLSA-N 0 0 355.221 3.775 50 30 FHEARN C[C@H](NC(=O)CC1CCCCC1)C(=O)N1CCC(Cc2ncc[nH]2)CC1 ZINC000329198399 570610840 /nfs/dbraw/zinc/61/08/40/570610840.db2.gz VPKKLPXHMDCBPE-HNNXBMFYSA-N 0 0 360.502 3.506 50 30 FHEARN O=C1N/C(=N\N=C\c2ccc(Cl)cc2)S[C@H]1Cc1ccc(F)cc1 ZINC000004889226 570612458 /nfs/dbraw/zinc/61/24/58/570612458.db2.gz HALVPNNTMBSUAZ-VYXQJKENSA-N 0 0 361.829 3.643 50 30 FHEARN O=C([O-])c1ccc(/C=N/N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000004907234 570612812 /nfs/dbraw/zinc/61/28/12/570612812.db2.gz WBIHRTWMBHNUSL-LFVJCYFKSA-N 0 0 373.456 3.690 50 30 FHEARN COc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1Br ZINC000004990391 570616721 /nfs/dbraw/zinc/61/67/21/570616721.db2.gz IQTKIZVYYZRASL-CXUHLZMHSA-N 0 0 350.172 3.812 50 30 FHEARN N#CC1(NC(=O)CN2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CCC1 ZINC000329502118 570617421 /nfs/dbraw/zinc/61/74/21/570617421.db2.gz WBVLHPZPOUDIIF-CYBMUJFWSA-N 0 0 368.264 3.849 50 30 FHEARN C/C(=N\N=C1/NC(=O)[C@H](Cc2cccc(Cl)c2)S1)c1ccccc1 ZINC000005214326 570622470 /nfs/dbraw/zinc/62/24/70/570622470.db2.gz IKPPKMQPBIEQQV-GKXUUXLPSA-N 0 0 357.866 3.894 50 30 FHEARN Cc1nc(SCC(=O)N2CCc3ccccc3C2)c(C#N)c(C)c1C ZINC000005172622 570627994 /nfs/dbraw/zinc/62/79/94/570627994.db2.gz GFGKCUVIHYYUHD-UHFFFAOYSA-N 0 0 351.475 3.556 50 30 FHEARN Cc1ccc(S(=O)(=O)N(C)/N=C/c2ccc(Cl)c(Cl)c2)cc1 ZINC000005187522 570630586 /nfs/dbraw/zinc/63/05/86/570630586.db2.gz TYZGRRRYMPHLQH-VCHYOVAHSA-N 0 0 357.262 3.956 50 30 FHEARN C/C(=N\N=C1/NC(=O)[C@@H](Cc2ccc(F)cc2)S1)c1ccc(C)cc1 ZINC000005214343 570635716 /nfs/dbraw/zinc/63/57/16/570635716.db2.gz UXIMQZQPEJIASD-NEIHUHTASA-N 0 0 355.438 3.688 50 30 FHEARN COc1ccc(C/N=C/c2cc(Br)ccc2O)cc1OC ZINC000005287961 570646299 /nfs/dbraw/zinc/64/62/99/570646299.db2.gz MRVOSBCLQGLTCA-VCHYOVAHSA-N 0 0 350.212 3.791 50 30 FHEARN CC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4)nc3c2[C@H]1c1ccco1 ZINC000005346745 570649632 /nfs/dbraw/zinc/64/96/32/570649632.db2.gz MNKSZZWGOWVABM-KRWDZBQOSA-N 0 0 372.384 3.772 50 30 FHEARN CCSC1=N/C(=C\c2cc3c(cc2Br)OCO3)C(=O)S1 ZINC000006727498 570653110 /nfs/dbraw/zinc/65/31/10/570653110.db2.gz RCRHJJSQSWRCSP-OQFOIZHKSA-N 0 0 372.265 3.901 50 30 FHEARN O=C1C[C@H](c2cccc(O)c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000006819559 570654813 /nfs/dbraw/zinc/65/48/13/570654813.db2.gz AQCIFOFDWHJUTD-RHSMWYFYSA-N 0 0 351.377 3.536 50 30 FHEARN COc1cccc(CN=Nc2ncnc3sc4c(c32)CCCC4)c1O ZINC000005556595 570671373 /nfs/dbraw/zinc/67/13/73/570671373.db2.gz GCILKTUEQFTIFG-ZVBGSRNCSA-N 0 0 354.435 3.730 50 30 FHEARN CSc1nc(NCCOC(=O)C(C)C)c(C#N)c(-c2ccc(C)cc2)n1 ZINC000005607439 570680555 /nfs/dbraw/zinc/68/05/55/570680555.db2.gz LOKQVVANCMHMBK-UHFFFAOYSA-N 0 0 370.478 3.657 50 30 FHEARN CCCCCCCC(=O)N1N=C(c2ccncc2)C[C@]1(O)C(F)(F)F ZINC000008454091 570682038 /nfs/dbraw/zinc/68/20/38/570682038.db2.gz IXIOGPPKPZYKJQ-INIZCTEOSA-N 0 0 357.376 3.629 50 30 FHEARN Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)N2CCc3ccccc3C2)n1 ZINC000005642634 570683816 /nfs/dbraw/zinc/68/38/16/570683816.db2.gz KIFHUUQEWSOLHJ-HNNXBMFYSA-N 0 0 351.475 3.636 50 30 FHEARN COC(=O)/C=C1\S/C(=N\c2ccccn2)N(c2ccc(Cl)cc2)C1=O ZINC000012339173 570738358 /nfs/dbraw/zinc/73/83/58/570738358.db2.gz JLMFNNUVHVITRV-SQHGGUCHSA-N 0 0 373.821 3.559 50 30 FHEARN C[C@@H](Sc1nc2ccccc2n1CCC#N)C(=O)NC1CCCCC1 ZINC000012629818 570754676 /nfs/dbraw/zinc/75/46/76/570754676.db2.gz FFZXTWZODONBGX-CQSZACIVSA-N 0 0 356.495 3.879 50 30 FHEARN O=C1CCCN1c1ccccc1NC=C1C(=O)CC2(CCCCC2)CC1=O ZINC000101019100 570802774 /nfs/dbraw/zinc/80/27/74/570802774.db2.gz ZDFHDBBBNGTHRB-UHFFFAOYSA-N 0 0 366.461 3.992 50 30 FHEARN C=CCN1C(=O)/C(=C/c2ccc(OC)cc2)S/C1=N/c1nccs1 ZINC000004523269 570817930 /nfs/dbraw/zinc/81/79/30/570817930.db2.gz PIHOWQJICAPRGD-MYRHIGEGSA-N 0 0 357.460 3.942 50 30 FHEARN Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccccc1)C1=C(N2)c2ccccc2C1=O ZINC000104171612 570857635 /nfs/dbraw/zinc/85/76/35/570857635.db2.gz LCLXSMGMWGLGFR-HNNXBMFYSA-N 0 0 371.396 3.557 50 30 FHEARN COc1cccc(NC(=NC(=O)c2ccc(C)cc2)NCc2ccccn2)c1 ZINC000046125462 570926761 /nfs/dbraw/zinc/92/67/61/570926761.db2.gz VBNVSCVTIGHYBS-UHFFFAOYSA-N 0 0 374.444 3.797 50 30 FHEARN Cc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(C)c(C)c2)cc1 ZINC000046129698 570927976 /nfs/dbraw/zinc/92/79/76/570927976.db2.gz QURYATKYDIKVKO-FQEVSTJZSA-N 0 0 365.477 3.989 50 30 FHEARN Cc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(C)c(C)c2)cc1 ZINC000046129702 570928172 /nfs/dbraw/zinc/92/81/72/570928172.db2.gz QURYATKYDIKVKO-HXUWFJFHSA-N 0 0 365.477 3.989 50 30 FHEARN Cc1cccc(NC(=NC(=O)c2ccccc2)NC[C@@H]2CCCO2)c1C ZINC000046131629 570929037 /nfs/dbraw/zinc/92/90/37/570929037.db2.gz ZYDRDNYGIFBTJH-SFHVURJKSA-N 0 0 351.450 3.680 50 30 FHEARN Cc1ccc(-n2ccnc2SCC(=O)N[C@@](C)(C#N)C(C)C)c(C)c1 ZINC000021688694 570932772 /nfs/dbraw/zinc/93/27/72/570932772.db2.gz FBULJOVPVDZGOX-IBGZPJMESA-N 0 0 356.495 3.636 50 30 FHEARN N#Cc1c(COC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cn2ccccc12 ZINC000048300824 570944720 /nfs/dbraw/zinc/94/47/20/570944720.db2.gz BAVVLCSXSIMBBJ-UHFFFAOYSA-N 0 0 360.348 3.697 50 30 FHEARN COc1ccccc1/C=N/N=C1\S[C@H](C)C(=O)N1Cc1ccc(F)cc1 ZINC000051366820 570947328 /nfs/dbraw/zinc/94/73/28/570947328.db2.gz XHTDHQCBSYIFBW-CSMPYOBQSA-N 0 0 371.437 3.688 50 30 FHEARN COc1ccccc1-c1nc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)n[nH]1 ZINC000048362978 570951478 /nfs/dbraw/zinc/95/14/78/570951478.db2.gz ZTPZBMPJAFXGRB-HNNXBMFYSA-N 0 0 370.796 3.725 50 30 FHEARN C=C(Br)CSc1nnc([C@H]2COc3ccccc3O2)o1 ZINC000048834188 570960028 /nfs/dbraw/zinc/96/00/28/570960028.db2.gz GBIJIAZNYSADSH-LLVKDONJSA-N 0 0 355.213 3.583 50 30 FHEARN Cn1c(-c2ccccc2)nnc1C(C#N)C(=O)C1(c2ccc(F)cc2)CCC1 ZINC000066867289 571041301 /nfs/dbraw/zinc/04/13/01/571041301.db2.gz BBYBOVYSYZOPFT-GOSISDBHSA-N 0 0 374.419 3.919 50 30 FHEARN N#C[C@H]1c2nc3ccccc3nc2N2C=CC(C(=O)c3ccccc3)=C[C@@H]12 ZINC000001272728 571045868 /nfs/dbraw/zinc/04/58/68/571045868.db2.gz NJIMBDNRCFGZTG-APWZRJJASA-N 0 0 350.381 3.762 50 30 FHEARN CN1c2ccccc2S/C1=C1\S/C(=N\c2ccc(O)cc2)N(C)C1=O ZINC000008564605 571050441 /nfs/dbraw/zinc/05/04/41/571050441.db2.gz NFRKXHKKEPTCEV-FESQGUELSA-N 0 0 369.471 3.996 50 30 FHEARN CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000003088814 571053820 /nfs/dbraw/zinc/05/38/20/571053820.db2.gz AMTVVNONABPDKN-OAHLLOKOSA-N 0 0 361.825 3.583 50 30 FHEARN N#Cc1ccc(CSc2nnc(Cc3cccc4ccccc43)n2N)cc1 ZINC000008657811 571054262 /nfs/dbraw/zinc/05/42/62/571054262.db2.gz VQKWDQYVOFNRIV-UHFFFAOYSA-N 0 0 371.469 3.900 50 30 FHEARN COc1ccc(NC(=S)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000008683082 571054959 /nfs/dbraw/zinc/05/49/59/571054959.db2.gz GPUHIRSALCEOGX-HNNXBMFYSA-N 0 0 371.506 3.928 50 30 FHEARN CCOc1ccccc1-c1noc(COc2ccc(C#N)cc2OC)n1 ZINC000008706022 571055835 /nfs/dbraw/zinc/05/58/35/571055835.db2.gz QZBBODWTPKRNKA-UHFFFAOYSA-N 0 0 351.362 3.595 50 30 FHEARN Cc1c(C)n(-c2ccccc2)c(NC(=O)CSc2nncs2)c1C#N ZINC000008705591 571055924 /nfs/dbraw/zinc/05/59/24/571055924.db2.gz NBMYKWVNLBZSHG-UHFFFAOYSA-N 0 0 369.475 3.548 50 30 FHEARN N#Cc1cc(NC(=O)CCc2nc(-c3ccsc3)no2)ccc1Cl ZINC000008776969 571061476 /nfs/dbraw/zinc/06/14/76/571061476.db2.gz BTOBXWLKJUMTRR-UHFFFAOYSA-N 0 0 358.810 3.894 50 30 FHEARN C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2cccc3ccccc32)C1=O ZINC000039570143 571064970 /nfs/dbraw/zinc/06/49/70/571064970.db2.gz YCAVJVPHYWBSSV-QFIPXVFZSA-N 0 0 355.397 3.679 50 30 FHEARN C/C(=N\OC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000033958513 571067267 /nfs/dbraw/zinc/06/72/67/571067267.db2.gz LPUIKNDBLUFNDU-LICLKQGHSA-N 0 0 363.167 3.938 50 30 FHEARN Fc1c(F)c(C(F)(F)F)c(F)c(C(F)(F)F)c1N1CCOCC1 ZINC000003149099 571071938 /nfs/dbraw/zinc/07/19/38/571071938.db2.gz AEKLCMYLMRBJJD-UHFFFAOYSA-N 0 0 353.184 3.978 50 30 FHEARN C[C@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000040116755 571079670 /nfs/dbraw/zinc/07/96/70/571079670.db2.gz QNZDHWIYYZERDP-GOSISDBHSA-N 0 0 373.334 3.544 50 30 FHEARN CC(C)(O)C#Cc1ccc(-c2nccn2Cc2ccc3c(c2)OCO3)s1 ZINC000067919826 571084036 /nfs/dbraw/zinc/08/40/36/571084036.db2.gz STAKWLDRCGHUAP-UHFFFAOYSA-N 0 0 366.442 3.511 50 30 FHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCCOc1cccc(C)c1 ZINC000012397746 571085069 /nfs/dbraw/zinc/08/50/69/571085069.db2.gz WXWDXOAYAHPFLI-UHFFFAOYSA-N 0 0 363.417 3.758 50 30 FHEARN COCCNc1oc(-c2ccc(COc3ccccc3C)o2)nc1C#N ZINC000032999862 571097202 /nfs/dbraw/zinc/09/72/02/571097202.db2.gz XUEPBNWTJRXMDU-UHFFFAOYSA-N 0 0 353.378 3.752 50 30 FHEARN N#Cc1ccsc1NC(=O)Cc1csc(COc2ccc(F)cc2)n1 ZINC000022980618 571099314 /nfs/dbraw/zinc/09/93/14/571099314.db2.gz UCOTYYQRPQZSHY-UHFFFAOYSA-N 0 0 373.434 3.976 50 30 FHEARN CC(C)NC(=O)N1CCCCC[C@@H]1C1CCN(c2ncccc2C#N)CC1 ZINC000069842370 571103882 /nfs/dbraw/zinc/10/38/82/571103882.db2.gz RQKYWOMCKWNPSD-LJQANCHMSA-N 0 0 369.513 3.532 50 30 FHEARN O=[N+]([O-])c1ccc(N=NCc2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc1 ZINC000004600573 571107128 /nfs/dbraw/zinc/10/71/28/571107128.db2.gz XKIRBAHQHVJJKK-VCHYOVAHSA-N 0 0 353.294 3.604 50 30 FHEARN N#Cc1ccc(Cc2cnc(NC(=O)Cc3noc4ccccc34)s2)cc1 ZINC000012807281 571111173 /nfs/dbraw/zinc/11/11/73/571111173.db2.gz RSZZAOMMCLIMNK-UHFFFAOYSA-N 0 0 374.425 3.928 50 30 FHEARN N#Cc1ccc(Cc2cnc(NC(=O)[C@H]3Cc4ccccc4O3)s2)cc1 ZINC000012808416 571111576 /nfs/dbraw/zinc/11/15/76/571111576.db2.gz DXSLVCUZIHZCTH-GOSISDBHSA-N 0 0 361.426 3.548 50 30 FHEARN CC1CCN(S(=O)(=O)c2ccc(/N=C/c3ccc(C#N)cc3)cc2)CC1 ZINC000005791815 571112021 /nfs/dbraw/zinc/11/20/21/571112021.db2.gz BYWJWIIQDDBSSE-PXLXIMEGSA-N 0 0 367.474 3.729 50 30 FHEARN N#Cc1ccc2c(Cl)c(S(=O)(=O)c3cc(F)cc(F)c3)cnc2c1 ZINC000085345095 571112117 /nfs/dbraw/zinc/11/21/17/571112117.db2.gz FBWXNPUWLYQWKY-UHFFFAOYSA-N 0 0 364.760 3.871 50 30 FHEARN COc1ccc(Cl)cc1CN1CCN(c2nc(C)cc(C)c2C#N)CC1 ZINC000006059860 571115744 /nfs/dbraw/zinc/11/57/44/571115744.db2.gz GYEUGNGUGSIFHW-UHFFFAOYSA-N 0 0 370.884 3.554 50 30 FHEARN C=CCn1c(CNC(=O)c2ccco2)nnc1SCc1cccc(C)c1 ZINC000012325295 571118035 /nfs/dbraw/zinc/11/80/35/571118035.db2.gz QIIQYFDNEXDJDS-UHFFFAOYSA-N 0 0 368.462 3.588 50 30 FHEARN Cc1c(-c2ccccc2)oc(=O)c(C#N)c1N1CCN(c2ccccc2)CC1 ZINC000585145646 571124723 /nfs/dbraw/zinc/12/47/23/571124723.db2.gz NYYDEMBJARONCT-UHFFFAOYSA-N 0 0 371.440 3.814 50 30 FHEARN NC(=NOCC(=O)Nc1cccc(Oc2ccccc2)c1)c1cccs1 ZINC000071805907 571126121 /nfs/dbraw/zinc/12/61/21/571126121.db2.gz YISNPGMKNGAGTF-UHFFFAOYSA-N 0 0 367.430 3.816 50 30 FHEARN c1ccc([C@@H]2O[C@]23CCC[C@]2(O[C@H]2c2ccccc2)C32OCCO2)cc1 ZINC000257357793 571135151 /nfs/dbraw/zinc/13/51/51/571135151.db2.gz PWNONDAOOROMHQ-UWHLTILDSA-N 0 0 350.414 3.934 50 30 FHEARN CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CCc1ccc(C#N)cc1 ZINC000025276822 571142682 /nfs/dbraw/zinc/14/26/82/571142682.db2.gz IAIZTSPXKDSWPZ-UHFFFAOYSA-N 0 0 364.405 3.573 50 30 FHEARN N#Cc1ccccc1[C@@H]1[C@H]2CCCC=C2c2c(N)snc2C1(C#N)C#N ZINC000001021806 571143623 /nfs/dbraw/zinc/14/36/23/571143623.db2.gz MELADKHDKLWJDX-DOTOQJQBSA-N 0 0 357.442 3.863 50 30 FHEARN N#Cc1c(N)nc2c(c1-c1ccc([C@@H]3CCCO3)s1)N1CCC2CC1 ZINC000101882802 571147285 /nfs/dbraw/zinc/14/72/85/571147285.db2.gz IHTIZEZPPAONER-ZDUSSCGKSA-N 0 0 352.463 3.813 50 30 FHEARN C=CCNC(=S)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000006185914 571153685 /nfs/dbraw/zinc/15/36/85/571153685.db2.gz UKWMTPYFRMQPHA-UDWIEESQSA-N 0 0 367.503 3.585 50 30 FHEARN N#Cc1ccc(NC(=O)c2nc(C3CC3)n(-c3ccccc3Cl)n2)cc1 ZINC000121622593 571155600 /nfs/dbraw/zinc/15/56/00/571155600.db2.gz FMKTVHMVQXSRRE-UHFFFAOYSA-N 0 0 363.808 3.922 50 30 FHEARN Cc1cc(C)cc(OCCn2cc(/C=N/NC(N)=S)c3ccccc32)c1 ZINC000004663185 571155811 /nfs/dbraw/zinc/15/58/11/571155811.db2.gz RSLSKIPBKTZRGA-WSDLNYQXSA-N 0 0 366.490 3.504 50 30 FHEARN COC(=O)c1ccc(Nc2sc3c(c2C#N)CCCC3)c([N+](=O)[O-])c1 ZINC000004668828 571155954 /nfs/dbraw/zinc/15/59/54/571155954.db2.gz IYNBKHXUQDNUEW-UHFFFAOYSA-N 0 0 357.391 3.937 50 30 FHEARN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(C#N)cc1 ZINC000075109975 571156052 /nfs/dbraw/zinc/15/60/52/571156052.db2.gz YAYCMMXIXWEOKO-HZPDHXFCSA-N 0 0 358.442 3.516 50 30 FHEARN CC(C)N=C(N[C@@H](CN1CCCC1=O)c1ccccc1)c1cccs1 ZINC000075126055 571156372 /nfs/dbraw/zinc/15/63/72/571156372.db2.gz XJEUADZLKOFKOS-KRWDZBQOSA-N 0 0 355.507 3.856 50 30 FHEARN N#CC1(C#N)[C@H](C(=O)c2ccccc2)[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000075273529 571159133 /nfs/dbraw/zinc/15/91/33/571159133.db2.gz LSBNYAZUKPZSLQ-IRXDYDNUSA-N 0 0 350.761 3.699 50 30 FHEARN COC(=O)/C=C1\CC[C@@H]2[C@H]3C[C@@H](F)C4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]12C ZINC000257358071 571163754 /nfs/dbraw/zinc/16/37/54/571163754.db2.gz RMDJMPHXGCYQJX-AVQFWDQBSA-N 0 0 374.452 3.745 50 30 FHEARN CCOc1ccc2c(c1)s/c(=N/N=C/c1cc(OC)ccc1OC)n2C ZINC000004703542 571167009 /nfs/dbraw/zinc/16/70/09/571167009.db2.gz VTFTZIGAWOHFIL-IHBSRWQLSA-N 0 0 371.462 3.591 50 30 FHEARN CCOC(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(C#N)c1C ZINC000005870418 571167312 /nfs/dbraw/zinc/16/73/12/571167312.db2.gz RJCSBJOFSOFZGM-UHFFFAOYSA-N 0 0 373.390 3.574 50 30 FHEARN COc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(SC)nn21 ZINC000004716079 571167515 /nfs/dbraw/zinc/16/75/15/571167515.db2.gz PEONCTQRTDMUTN-INIZCTEOSA-N 0 0 370.478 3.667 50 30 FHEARN COc1c2c(cc3c1[C@@H](C(=S)Nc1ccccc1C)N(C)CC3)OCO2 ZINC000006237995 571167731 /nfs/dbraw/zinc/16/77/31/571167731.db2.gz YHVVMWZFOQHJRK-KRWDZBQOSA-N 0 0 370.474 3.921 50 30 biogenic FHEARN Cc1ccc(C(=O)Nc2cccc(C#N)c2)cc1I ZINC000006278498 571169348 /nfs/dbraw/zinc/16/93/48/571169348.db2.gz COGNKHDRYDDBAS-UHFFFAOYSA-N 0 0 362.170 3.724 50 30 FHEARN COc1ccccc1-c1nc(NC(=O)[C@@H](C)n2cnc3ccccc32)n[nH]1 ZINC000052779044 571171031 /nfs/dbraw/zinc/17/10/31/571171031.db2.gz UZHJQPUIWQHKBZ-GFCCVEGCSA-N 0 0 362.393 3.679 50 30 FHEARN O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1Cc2ccccc2O/C1=N\O ZINC000012471401 571172556 /nfs/dbraw/zinc/17/25/56/571172556.db2.gz IPMAWLXLSHXEHL-PORMKJMCSA-N 0 0 351.189 3.971 50 30 FHEARN CSc1ncc(C(=O)Nc2cccc(C#N)c2)n1-c1ccc(F)cc1 ZINC000012535408 571175844 /nfs/dbraw/zinc/17/58/44/571175844.db2.gz LEIXTRWOCGYVAC-UHFFFAOYSA-N 0 0 352.394 3.857 50 30 FHEARN N#Cc1cccc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1 ZINC000006400886 571183952 /nfs/dbraw/zinc/18/39/52/571183952.db2.gz SQUIWFUFFZUOCU-UHFFFAOYSA-N 0 0 356.381 3.807 50 30 FHEARN CSc1nnc(SCC(=O)Nc2c(C#N)oc3ccccc32)s1 ZINC000003527895 571184871 /nfs/dbraw/zinc/18/48/71/571184871.db2.gz ZXNUGDJRHVCJTR-UHFFFAOYSA-N 0 0 362.461 3.609 50 30 FHEARN Cc1cc(C)c(C#N)c(SCC(=O)N(CCC#N)c2ccccc2)n1 ZINC000012619948 571191777 /nfs/dbraw/zinc/19/17/77/571191777.db2.gz HJHMQZBHIXEHSJ-UHFFFAOYSA-N 0 0 350.447 3.609 50 30 FHEARN Cc1ccccc1-c1nc(C#N)c(N2CCN(Cc3ccccc3)CC2)o1 ZINC000054061439 571198774 /nfs/dbraw/zinc/19/87/74/571198774.db2.gz KZMOWBVWXJZQJP-UHFFFAOYSA-N 0 0 358.445 3.844 50 30 FHEARN O=[N+]([O-])c1cccc(C=NN2C(=S)N=NC2c2ccccc2Cl)c1 ZINC000005768446 571214350 /nfs/dbraw/zinc/21/43/50/571214350.db2.gz SWIBKIWANKLUHB-RQZCQDPDSA-N 0 0 359.798 3.678 50 30 FHEARN O=C(CC1=C(c2ccccc2)CCC1=O)N[C@H]1COC2(C1)CCCCC2 ZINC000426424398 571223860 /nfs/dbraw/zinc/22/38/60/571223860.db2.gz SIVSTZRQMQBELM-QGZVFWFLSA-N 0 0 353.462 3.801 50 30 FHEARN N#CC1CCN(C(=O)NCC[C@@H](c2ccco2)c2ccc(F)cc2)CC1 ZINC000426523759 571230101 /nfs/dbraw/zinc/23/01/01/571230101.db2.gz ZHAXJALQPOPKMX-GOSISDBHSA-N 0 0 355.413 3.886 50 30 FHEARN CCN(CC)C(=O)C(=O)c1cn(Cc2ccccc2C#N)c2ccccc12 ZINC000004759130 571231237 /nfs/dbraw/zinc/23/12/37/571231237.db2.gz GKCGYKGAUJRCIW-UHFFFAOYSA-N 0 0 359.429 3.612 50 30 FHEARN CCOc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2nc(SCC)nn21 ZINC000006738239 571244475 /nfs/dbraw/zinc/24/44/75/571244475.db2.gz HCEJHTGJDVBQMC-KRWDZBQOSA-N 0 0 370.478 3.811 50 30 FHEARN CC[C@H](C(=O)Nc1cccc(C#N)c1)n1nc(-c2ccc(C)cc2)ccc1=O ZINC000006767302 571245385 /nfs/dbraw/zinc/24/53/85/571245385.db2.gz OKDFVQYWIFJMAL-HXUWFJFHSA-N 0 0 372.428 3.680 50 30 FHEARN CCOC(=O)C1=C(Nc2ccccc2C)SC(=Cc2cccn2C)C1=O ZINC000036258148 571246145 /nfs/dbraw/zinc/24/61/45/571246145.db2.gz PHDFZURLPBWXKE-FOWTUZBSSA-N 0 0 368.458 3.877 50 30 FHEARN Cc1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000006914495 571254413 /nfs/dbraw/zinc/25/44/13/571254413.db2.gz ZWJYWPGNXFGRSS-LBPRGKRZSA-N 0 0 368.458 3.849 50 30 FHEARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccccc3C#N)c12 ZINC000036616295 571257672 /nfs/dbraw/zinc/25/76/72/571257672.db2.gz SZKAKQDVLWWNBW-UHFFFAOYSA-N 0 0 357.373 3.661 50 30 FHEARN CCCOc1ccc(C(F)(F)F)cc1NCC(=O)N[C@@](C)(C#N)C(C)C ZINC000036638386 571259784 /nfs/dbraw/zinc/25/97/84/571259784.db2.gz NQWDYAAVQOVJQI-KRWDZBQOSA-N 0 0 371.403 3.961 50 30 FHEARN Cc1occc1-c1nnc(S[C@@H](C)C(=O)N(C)C2(C#N)CCCCC2)o1 ZINC000007166979 571262559 /nfs/dbraw/zinc/26/25/59/571262559.db2.gz GZDFWTMPYCTMRR-ZDUSSCGKSA-N 0 0 374.466 3.804 50 30 FHEARN CCCN1CCN(C(=O)COc2ccc(CC#N)cc2)c2ccc(F)cc21 ZINC000170611437 571267585 /nfs/dbraw/zinc/26/75/85/571267585.db2.gz VSRIGRSXYVXCMS-UHFFFAOYSA-N 0 0 367.424 3.534 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1cc(OC)cc(OC)c1 ZINC000170618289 571268589 /nfs/dbraw/zinc/26/85/89/571268589.db2.gz ZHORSRSJWUTTPD-YLJYHZDGSA-N 0 0 370.401 3.616 50 30 FHEARN COc1ccc(C(C)=NN=C(C)c2ccc(OC)cc2OC)c(OC)c1 ZINC000252459964 571278890 /nfs/dbraw/zinc/27/88/90/571278890.db2.gz ALPRNNHLTNJSAQ-UHFFFAOYSA-N 0 0 356.422 3.954 50 30 FHEARN Cc1cc(C)c(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)c(C)c1 ZINC000007779747 571288597 /nfs/dbraw/zinc/28/85/97/571288597.db2.gz XFYFWQRZDCNMNM-UHFFFAOYSA-N 0 0 368.458 3.829 50 30 FHEARN COc1cccc(/C=C2/SC(=Nc3ccc(C)cc3)N(C)C2=O)c1O ZINC000252633861 571290776 /nfs/dbraw/zinc/29/07/76/571290776.db2.gz WHMZJICXBLKBFH-ZRHYCJNMSA-N 0 0 354.431 3.943 50 30 FHEARN N#Cc1ccc(NC(=O)N2CCC(n3cc(-c4ccccc4)nn3)CC2)cc1 ZINC000055284889 571318502 /nfs/dbraw/zinc/31/85/02/571318502.db2.gz CHXHKOBSSHRTQW-UHFFFAOYSA-N 0 0 372.432 3.686 50 30 FHEARN COc1ccc(-c2nc(C#N)c(S(=O)(=O)c3ccc(Cl)cc3)o2)cc1 ZINC000027664190 571319845 /nfs/dbraw/zinc/31/98/45/571319845.db2.gz URHQKVLNXQPQAJ-UHFFFAOYSA-N 0 0 374.805 3.708 50 30 FHEARN CCCCCCN1CC2(CCN(C(=O)c3ccccc3C#N)CC2)OC1=O ZINC000077344289 571321004 /nfs/dbraw/zinc/32/10/04/571321004.db2.gz ZRELYFGDHSKUBG-UHFFFAOYSA-N 0 0 369.465 3.566 50 30 FHEARN Cc1ccc([C@H](CNc2oc(C(C)(C)C)nc2C#N)N2CCOCC2)cc1 ZINC000027793565 571321444 /nfs/dbraw/zinc/32/14/44/571321444.db2.gz HTLIACAXGNCSQG-SFHVURJKSA-N 0 0 368.481 3.638 50 30 FHEARN CC(C)c1n[nH]c2c1CN(C(=O)c1cccc(-c3ccc(C#N)nc3)c1)CC2 ZINC000426594772 571322167 /nfs/dbraw/zinc/32/21/67/571322167.db2.gz DIFJRARRBYCTPL-UHFFFAOYSA-N 0 0 371.444 3.665 50 30 FHEARN CCCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)SC2 ZINC000013142332 571323116 /nfs/dbraw/zinc/32/31/16/571323116.db2.gz ZHYKVAWSYGILCY-UHFFFAOYSA-N 0 0 363.552 3.860 50 30 FHEARN CCc1nn(Cc2nc3ccccc3c(C)c2Cl)c(=O)c(C#N)c1CC ZINC000078610648 571323416 /nfs/dbraw/zinc/32/34/16/571323416.db2.gz WHPKQTZDJLHQHQ-UHFFFAOYSA-N 0 0 366.852 3.798 50 30 FHEARN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCOCC(F)(F)C1 ZINC000329677140 571327689 /nfs/dbraw/zinc/32/76/89/571327689.db2.gz VCDZRPRQIHRKKT-HNNXBMFYSA-N 0 0 366.408 3.705 50 30 FHEARN Cc1sc(NC(=O)c2ccccc2S(=O)(=O)C(C)C)c(C#N)c1C ZINC000095350024 571328858 /nfs/dbraw/zinc/32/88/58/571328858.db2.gz NLPRWTAEKVROJS-UHFFFAOYSA-N 0 0 362.476 3.671 50 30 FHEARN N#Cc1ccc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 ZINC000225552128 571337146 /nfs/dbraw/zinc/33/71/46/571337146.db2.gz HBYQXNSDSSNLJS-UHFFFAOYSA-N 0 0 358.279 3.879 50 30 FHEARN COc1ccccc1N(CCC#N)C(=O)CSc1nc2ccccc2[nH]1 ZINC000002661936 571340322 /nfs/dbraw/zinc/34/03/22/571340322.db2.gz XWASXPBGKIFLHE-UHFFFAOYSA-N 0 0 366.446 3.610 50 30 FHEARN CCN(CC)C(=O)c1sc(NC(=O)/C=C/c2ccco2)c(C#N)c1C ZINC000002738815 571340632 /nfs/dbraw/zinc/34/06/32/571340632.db2.gz VPYRSIOMJCMURS-CMDGGOBGSA-N 0 0 357.435 3.655 50 30 FHEARN C=CCOc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000002784931 571341009 /nfs/dbraw/zinc/34/10/09/571341009.db2.gz BUCLBOLCFGVLPE-PDGQHHTCSA-N 0 0 368.820 3.998 50 30 FHEARN Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccccc1C#N ZINC000002861270 571341475 /nfs/dbraw/zinc/34/14/75/571341475.db2.gz ILSIIOHZKVHXGF-UHFFFAOYSA-N 0 0 359.223 3.955 50 30 FHEARN C=CCN(C(=O)c1cc(-c2ccc(OC)cc2OC)[nH]n1)c1ccccc1 ZINC000057477088 571343573 /nfs/dbraw/zinc/34/35/73/571343573.db2.gz RWZVBXMFUAIOMM-UHFFFAOYSA-N 0 0 363.417 3.927 50 30 FHEARN N#Cc1cnn(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1N ZINC000003332174 571347607 /nfs/dbraw/zinc/34/76/07/571347607.db2.gz NTZJTVWPJDLNAF-UHFFFAOYSA-N 0 0 368.849 3.971 50 30 FHEARN N#Cc1c(F)cccc1N1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000030773522 571348381 /nfs/dbraw/zinc/34/83/81/571348381.db2.gz YQHWCTDBWFMBLF-UHFFFAOYSA-N 0 0 366.392 3.568 50 30 FHEARN N#Cc1cccc(NC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc32)c1 ZINC000003448247 571349928 /nfs/dbraw/zinc/34/99/28/571349928.db2.gz MIXZOSRDWDHAJG-UHFFFAOYSA-N 0 0 366.380 3.510 50 30 FHEARN CCOC(=O)c1cc(C#N)c(Sc2ccccc2N)nc1C(F)(F)F ZINC000003466961 571350119 /nfs/dbraw/zinc/35/01/19/571350119.db2.gz JWXHVFJHMJTLON-UHFFFAOYSA-N 0 0 367.352 3.882 50 30 FHEARN COc1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)c(OC)c1 ZINC000004174118 571356433 /nfs/dbraw/zinc/35/64/33/571356433.db2.gz PAODMDVHBSJHHZ-UHFFFAOYSA-N 0 0 365.414 3.951 50 30 FHEARN N#CCc1ccc(NC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000066343167 571358397 /nfs/dbraw/zinc/35/83/97/571358397.db2.gz RNMNTSXMTYWKCV-MRXNPFEDSA-N 0 0 352.413 3.540 50 30 FHEARN CCN(Cc1ccc(OC)c(F)c1)[C@@H](C)C(=O)Nc1ccccc1C#N ZINC000008130942 571359299 /nfs/dbraw/zinc/35/92/99/571359299.db2.gz LVWJNDVHAOMLEH-AWEZNQCLSA-N 0 0 355.413 3.555 50 30 FHEARN Cc1cc(Br)ccc1NC(=O)CN(C)Cc1cccc(C#N)c1 ZINC000008170424 571359636 /nfs/dbraw/zinc/35/96/36/571359636.db2.gz LVCQGNSNWLRHMT-UHFFFAOYSA-N 0 0 372.266 3.700 50 30 FHEARN C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000331975886 945070159 /nfs/dbraw/zinc/07/01/59/945070159.db2.gz MLEKGWKSKPMGMJ-UZLBHIALSA-N 0 0 356.466 3.523 50 30 FHEARN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1noc(C(C)(C)C)n1 ZINC000332073718 945139105 /nfs/dbraw/zinc/13/91/05/945139105.db2.gz WVBTVHQHRZDWNK-UHFFFAOYSA-N 0 0 356.813 3.564 50 30 FHEARN C[C@@H](C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2)n1cncn1 ZINC000079143167 938341672 /nfs/dbraw/zinc/34/16/72/938341672.db2.gz PIIAQEFWEWSHRV-NWDGAFQWSA-N 0 0 357.483 3.562 50 30 FHEARN N#Cc1ccc2c(c1)N(C(=O)c1csc(C3CCCCC3)n1)CC(=O)N2 ZINC000333343262 945314405 /nfs/dbraw/zinc/31/44/05/945314405.db2.gz QBHFPUFNZSRBAF-UHFFFAOYSA-N 0 0 366.446 3.661 50 30 FHEARN N#Cc1c(C#N)c(N2CCOc3cc(O)ccc3C2)nc2c1CCCCCC2 ZINC000329215813 942367537 /nfs/dbraw/zinc/36/75/37/942367537.db2.gz NJCJQTSWXQVRDH-UHFFFAOYSA-N 0 0 374.444 3.589 50 30 FHEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSC(=S)N1CCCC1 ZINC000103764511 943609991 /nfs/dbraw/zinc/60/99/91/943609991.db2.gz GIXVOZBGVBUYOB-SFQUDFHCSA-N 0 0 360.548 3.981 50 30 FHEARN Cc1cccc2c1OC[C@H]([NH+]=C([O-])N1CCC(c3nccs3)CC1)C2 ZINC000329625098 944110147 /nfs/dbraw/zinc/11/01/47/944110147.db2.gz OKEWXMDFNACGNM-MRXNPFEDSA-N 0 0 357.479 3.549 50 30 FHEARN Cc1nn(C)c(C)c1[C@@H](NC(=O)c1cc(C(C)(C)C)on1)C(F)(F)F ZINC000331198687 944396169 /nfs/dbraw/zinc/39/61/69/944396169.db2.gz TXOYAFGZMBQDKD-CYBMUJFWSA-N 0 0 358.364 3.931 50 30 FHEARN O=c1c2[nH]c3ccc(Br)cc3c2ncn1/N=C/c1ccccc1 ZINC000000726934 210265853 /nfs/dbraw/zinc/26/58/53/210265853.db2.gz LBTFJRVESKIMRG-AWQFTUOYSA-N 0 0 367.206 3.523 50 30 FHEARN CCOc1ccc(/C=N/n2c(=O)c3ccccc3nc2-c2ccco2)cc1 ZINC000000726819 210265578 /nfs/dbraw/zinc/26/55/78/210265578.db2.gz SQIBNGORSCMKLB-HYARGMPZSA-N 0 0 359.385 3.937 50 30 FHEARN C/C(=N/OCC(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000000708634 210264839 /nfs/dbraw/zinc/26/48/39/210264839.db2.gz VVWRJYIWMFAKHR-XKZIYDEJSA-N 0 0 353.447 3.878 50 30 FHEARN N#Cc1c(SCC(N)=O)nc(-c2cccs2)cc1-c1ccccc1 ZINC000000704415 210262709 /nfs/dbraw/zinc/26/27/09/210262709.db2.gz KGTOIYCTGVNDFW-UHFFFAOYSA-N 0 0 351.456 3.926 50 30 FHEARN Cc1cc(C)n(/N=C/c2cccc(OCc3ccccc3)c2)c(=O)c1C#N ZINC000000672438 210261242 /nfs/dbraw/zinc/26/12/42/210261242.db2.gz MLAOOMAIYYOFNB-ZVHZXABRSA-N 0 0 357.413 3.798 50 30 FHEARN N#C[C@H](Cc1ccccc1)NC(=O)/C=C\c1ccccc1Br ZINC000096315815 210238187 /nfs/dbraw/zinc/23/81/87/210238187.db2.gz VLMWYHRNWNBASF-SNGWPZLWSA-N 0 0 355.235 3.713 50 30 FHEARN C[C@H]1C[C@H](C)C[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cccnc2)O3)C1 ZINC000020518060 210236455 /nfs/dbraw/zinc/23/64/55/210236455.db2.gz CFUSTWQYPPFZOG-XALRFSPBSA-N 0 0 364.445 3.881 50 30 FHEARN C=CCN1c2ccccc2[C@@]2(NCCc3c4cc(Cl)ccc4[nH]c32)C1=O ZINC000020064226 210235168 /nfs/dbraw/zinc/23/51/68/210235168.db2.gz RBJBABBSMWIVDR-NRFANRHFSA-N 0 0 363.848 3.743 50 30 FHEARN O=C1c2ccc3c(c2O/C1=C\c1cccs1)CN(C[C@@H]1CCCO1)CO3 ZINC000013718559 210234094 /nfs/dbraw/zinc/23/40/94/210234094.db2.gz XGTPIFGKDGXQNB-OCTXWABXSA-N 0 0 369.442 3.695 50 30 FHEARN COc1ccc(/C=C2\Oc3c(ccc(OC(=O)N(C)C)c3C)C2=O)cc1 ZINC000013540834 210233535 /nfs/dbraw/zinc/23/35/35/210233535.db2.gz ARKFAZQYAZHUTP-BOPFTXTBSA-N 0 0 353.374 3.680 50 30 FHEARN N#Cc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2Cl)cc1F ZINC000263619608 210223224 /nfs/dbraw/zinc/22/32/24/210223224.db2.gz ZNWLWZQDLJXIKT-UHFFFAOYSA-N 0 0 364.760 3.871 50 30 FHEARN C[Si](C)(c1c(F)c(F)cc(F)c1F)c1c(F)c(F)cc(F)c1F ZINC000169816927 210175648 /nfs/dbraw/zinc/17/56/48/210175648.db2.gz WKFQXKPGTKUDKE-UHFFFAOYSA-N 0 0 356.288 3.622 50 30 FHEARN C(#C[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 ZINC000169817509 210175460 /nfs/dbraw/zinc/17/54/60/210175460.db2.gz MGTOFLSIIRHBNT-UHFFFAOYSA-N 0 0 360.532 3.748 50 30 FHEARN O=C(Cc1noc2ccccc21)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000032900402 210168421 /nfs/dbraw/zinc/16/84/21/210168421.db2.gz VAMFRBCEWIGWDN-UHFFFAOYSA-N 0 0 358.319 3.557 50 30 FHEARN C=CCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(C)cc2)c1=O ZINC000002284807 210151571 /nfs/dbraw/zinc/15/15/71/210151571.db2.gz KQOCUCRZMGMBNB-UHFFFAOYSA-N 0 0 367.412 3.778 50 30 FHEARN C=CCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1c1ccccc1 ZINC000001803471 210151632 /nfs/dbraw/zinc/15/16/32/210151632.db2.gz XTNPDALGDVOCLE-HXUWFJFHSA-N 0 0 368.502 3.712 50 30 FHEARN C=C(C)Cc1c(C)nc(SCC(=O)C(C)(C)C)nc1OC(=O)N(C)C ZINC000001044732 210149061 /nfs/dbraw/zinc/14/90/61/210149061.db2.gz DLPAMMSTUNNPAP-UHFFFAOYSA-N 0 0 365.499 3.671 50 30 FHEARN C#C[C@](C)(CC)NC(=O)c1cnn2c1nc(-c1ccccc1)cc2C(F)F ZINC000001074421 210148219 /nfs/dbraw/zinc/14/82/19/210148219.db2.gz OUDLPQBJJLBHOG-HXUWFJFHSA-N 0 0 368.387 3.866 50 30 FHEARN C=CCN1c2ccccc2[C@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)C1=O ZINC000000783747 210147992 /nfs/dbraw/zinc/14/79/92/210147992.db2.gz HSZHPXQTCCYMID-HSZRJFAPSA-N 0 0 363.457 3.977 50 30 FHEARN C=CCn1c(CN(C)CC2CCCCC2)nnc1SC[C@H]1CCCO1 ZINC000015066989 210145676 /nfs/dbraw/zinc/14/56/76/210145676.db2.gz HMLBSAZPNALFHW-QGZVFWFLSA-N 0 0 364.559 3.747 50 30 FHEARN C=CCN1C(=O)/C(=C\c2cc(Br)ccc2O)SC1=S ZINC000013476532 210143661 /nfs/dbraw/zinc/14/36/61/210143661.db2.gz RQZQIHZNBYBTKA-YRNVUSSQSA-N 0 0 356.266 3.542 50 30 FHEARN C=C1[C@H](C(=O)N2c3ccccc3C[C@@H]2C)[C@@H]1C(=O)N1c2ccccc2C[C@H]1C ZINC000012559445 210142716 /nfs/dbraw/zinc/14/27/16/210142716.db2.gz GWZQTOHOERXPOC-NDJGUNTQSA-N 0 0 372.468 3.744 50 30 FHEARN C=CCn1c(=O)c2sccc2nc1SCc1cn2ccccc2n1 ZINC000012531876 210142422 /nfs/dbraw/zinc/14/24/22/210142422.db2.gz SQMQYISIQNQDTE-UHFFFAOYSA-N 0 0 354.460 3.584 50 30 FHEARN C=CCN1C(=O)[C@@]([N-]c2cccc(C)[nH+]2)(C(F)(F)F)N=C1c1ccccc1 ZINC000012408221 210139344 /nfs/dbraw/zinc/13/93/44/210139344.db2.gz KCRZXYOWUDTBKM-SFHVURJKSA-N 0 0 374.366 3.536 50 30 FHEARN CC#CCN(Cc1ccco1)C(=O)CCc1nnc(-c2ccc(C)s2)o1 ZINC000011661492 210138706 /nfs/dbraw/zinc/13/87/06/210138706.db2.gz WOYJHIUNAAKBEI-UHFFFAOYSA-N 0 0 369.446 3.684 50 30 FHEARN C=CCn1c(=O)c2ccsc2nc1SCc1nccn1C(F)F ZINC000009366959 210137882 /nfs/dbraw/zinc/13/78/82/210137882.db2.gz GSBWMIAFRFNJES-UHFFFAOYSA-N 0 0 354.407 3.528 50 30 FHEARN C=CCSc1nnc(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)s1 ZINC000009319312 210136665 /nfs/dbraw/zinc/13/66/65/210136665.db2.gz LXBMRTGYOITAIC-UHFFFAOYSA-N 0 0 373.459 3.792 50 30 FHEARN C=CCN(C(=O)c1cc(OC)cc(OC)c1)c1nc2c(s1)CCCC2 ZINC000006309924 210107115 /nfs/dbraw/zinc/10/71/15/210107115.db2.gz ITRHXEBFOKCQFU-UHFFFAOYSA-N 0 0 358.463 3.872 50 30 FHEARN C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2C1=O ZINC000006847792 210107162 /nfs/dbraw/zinc/10/71/62/210107162.db2.gz KBFJPBABWKRVOE-UHFFFAOYSA-N 0 0 358.756 3.513 50 30 FHEARN C=CCOc1ccc(C=C2SC(=S)NC2=O)cc1Br ZINC000004093726 210103416 /nfs/dbraw/zinc/10/34/16/210103416.db2.gz BQECPZOGYWSGKG-XFFZJAGNSA-N 0 0 356.266 3.503 50 30 FHEARN C=CCSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1CC ZINC000005311121 210105550 /nfs/dbraw/zinc/10/55/50/210105550.db2.gz JLLUSCHCJJCATG-UHFFFAOYSA-N 0 0 365.524 3.509 50 30 FHEARN C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OCC)c1 ZINC000005563131 210105635 /nfs/dbraw/zinc/10/56/35/210105635.db2.gz FTVMZPFAEDZLMP-LJQANCHMSA-N 0 0 361.397 3.923 50 30 FHEARN C=C(C)COc1c(OC)cccc1[C@H]1CC(=O)Nc2cc3c(cc21)OCO3 ZINC000065382628 210098682 /nfs/dbraw/zinc/09/86/82/210098682.db2.gz OWMGEWWOGVPFLM-CQSZACIVSA-N 0 0 367.401 3.853 50 30 FHEARN Cc1ccc(-c2cs/c(=N/N=C/c3ccccc3[N+](=O)[O-])n2C)cc1 ZINC000001415365 210075777 /nfs/dbraw/zinc/07/57/77/210075777.db2.gz DXQGCQOAXLWQFX-DSTXHIGZSA-N 0 0 352.419 3.905 50 30 FHEARN C=CCN(CCc1ccccc1)C(=O)CCc1nnc(-c2ccsc2)o1 ZINC000058192841 210073534 /nfs/dbraw/zinc/07/35/34/210073534.db2.gz VBOLPCKFYBKJDY-UHFFFAOYSA-N 0 0 367.474 3.988 50 30 FHEARN C=CCn1nc(C)c([C@@H]2c3[nH]cnc3CCN2Cc2sccc2C)c1C ZINC000072463833 210064783 /nfs/dbraw/zinc/06/47/83/210064783.db2.gz JYZOHPZXUGYAFZ-HXUWFJFHSA-N 0 0 367.522 3.927 50 30 FHEARN C=CCOc1ccc(-c2nn3c(CN4CCCCCC4)nnc3s2)cc1 ZINC000071260599 210063542 /nfs/dbraw/zinc/06/35/42/210063542.db2.gz QPCYTHZPAUPCBO-UHFFFAOYSA-N 0 0 369.494 3.794 50 30 FHEARN C=CCSc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000042470271 210046520 /nfs/dbraw/zinc/04/65/20/210046520.db2.gz DTHYQCLYKHRAJP-MRXNPFEDSA-N 0 0 373.522 3.831 50 30 FHEARN N#Cc1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)cn1 ZINC000299774403 210020239 /nfs/dbraw/zinc/02/02/39/210020239.db2.gz CWLUNXWPMVSIHY-IBGZPJMESA-N 0 0 368.868 3.564 50 30 FHEARN CO/C=C(\C(=O)OC)c1ccccc1Oc1snc(Cl)c1C#N ZINC000000687892 219313255 /nfs/dbraw/zinc/31/32/55/219313255.db2.gz PBGJCFSMUAPHGV-FLIBITNWSA-N 0 0 350.783 3.621 50 30 FHEARN COc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3C)NC1=O)OCO2 ZINC000000981745 219350157 /nfs/dbraw/zinc/35/01/57/219350157.db2.gz MBEPMPPFJDELHD-IUXPMGMMSA-N 0 0 368.414 3.624 50 30 FHEARN Cc1ccc(N=C2NC(=O)C[C@H](C(=O)Nc3ccc(F)c(Cl)c3)N2)cc1 ZINC000001287955 219393542 /nfs/dbraw/zinc/39/35/42/219393542.db2.gz LUYKLQWCOUEJHG-OAHLLOKOSA-N 0 0 374.803 3.732 50 30 FHEARN CSc1ccc(CN2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1 ZINC000064838171 212044633 /nfs/dbraw/zinc/04/46/33/212044633.db2.gz SCBQIRMIKPXYIZ-UHFFFAOYSA-N 0 0 367.499 3.730 50 30 FHEARN CCN(C(C)=O)c1nc(/C=C2/COc3c(C)cc(C)cc3C2=O)cs1 ZINC000063412033 212032253 /nfs/dbraw/zinc/03/22/53/212032253.db2.gz JNLDRPYPWIQGLU-ZSOIEALJSA-N 0 0 356.447 3.791 50 30 FHEARN CCOC(=O)c1cncc(C#CCOC(=O)Nc2ccc(Cl)cc2)c1 ZINC000003118972 212019797 /nfs/dbraw/zinc/01/97/97/212019797.db2.gz MJOUJNHEOUCZLB-UHFFFAOYSA-N 0 0 358.781 3.512 50 30 FHEARN CCc1nnc([C@@H]2Cc3ccccc3CN2Cc2ccc(C#N)cc2F)o1 ZINC000058420556 212009885 /nfs/dbraw/zinc/00/98/85/212009885.db2.gz XEIKELJOIOQRIF-IBGZPJMESA-N 0 0 362.408 3.942 50 30 FHEARN Cc1nc(-c2ccc(C#N)cc2)n(CC(=O)Nc2cccc(Cl)c2C)n1 ZINC000058250260 212000049 /nfs/dbraw/zinc/00/00/49/212000049.db2.gz HACOHFAFGKNUBR-UHFFFAOYSA-N 0 0 365.824 3.726 50 30 FHEARN COC(=O)[C@H](C#N)c1nc2ccccc2nc1Oc1ccc2ncccc2c1 ZINC000058297765 212002720 /nfs/dbraw/zinc/00/27/20/212002720.db2.gz MEPKCTBVBQNJFB-OAHLLOKOSA-N 0 0 370.368 3.750 50 30 FHEARN C=CCNC(=O)c1ccccc1NC(=O)c1cccc(Br)c1 ZINC000014110904 220106698 /nfs/dbraw/zinc/10/66/98/220106698.db2.gz GECUSDZFHMBSBQ-UHFFFAOYSA-N 0 0 359.223 3.617 50 30 FHEARN Cc1cccc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CCC3)c1 ZINC000015834554 220166335 /nfs/dbraw/zinc/16/63/35/220166335.db2.gz WBJFDXIWBKMTGT-UHFFFAOYSA-N 0 0 351.431 3.512 50 30 FHEARN Cc1ccsc1/C=C/C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 ZINC000016171961 220180227 /nfs/dbraw/zinc/18/02/27/220180227.db2.gz YYGNCISIPNVALK-IPLHWJFFSA-N 0 0 369.465 3.618 50 30 FHEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(C)ccc2O)C1=O ZINC000036257387 211657334 /nfs/dbraw/zinc/65/73/34/211657334.db2.gz CFQRCMRANGHWHS-LFIBNONCSA-N 0 0 367.426 3.854 50 30 FHEARN C[C@H](C#N)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000032945149 211576945 /nfs/dbraw/zinc/57/69/45/211576945.db2.gz GBZKRLKGKTTYJZ-GFCCVEGCSA-N 0 0 351.391 3.847 50 30 FHEARN CC[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1OC(F)F ZINC000030371231 211522766 /nfs/dbraw/zinc/52/27/66/211522766.db2.gz NELNZKVEGBNZGB-OAHLLOKOSA-N 0 0 366.389 3.589 50 30 FHEARN Cc1nnc(NCc2ccc(COCC(F)(F)F)cc2)c(C#N)c1C ZINC000029441423 211512555 /nfs/dbraw/zinc/51/25/55/211512555.db2.gz VPSNTUWOMFUODF-UHFFFAOYSA-N 0 0 350.344 3.656 50 30 FHEARN COc1ccc(C2=NN/C(=N\c3cccc(NC(C)=O)c3)SC2)cc1F ZINC000026144357 211441371 /nfs/dbraw/zinc/44/13/71/211441371.db2.gz DJFHEODMONIJKV-UHFFFAOYSA-N 0 0 372.425 3.521 50 30 FHEARN Cc1ccc(N2C(=O)C[C@@H](C(=O)Nc3nc[nH]n3)[C@@H]2c2cccs2)cc1 ZINC000023141095 211377743 /nfs/dbraw/zinc/37/77/43/211377743.db2.gz AFJHKUXJNWUGHS-CZUORRHYSA-N 0 0 367.434 3.557 50 30 FHEARN C[C@@]1(c2ccco2)NC(=O)N(Cc2ccc(-c3ccccc3C#N)cc2)C1=O ZINC000022417188 211350499 /nfs/dbraw/zinc/35/04/99/211350499.db2.gz IJBJGMNCPYTYCW-QFIPXVFZSA-N 0 0 371.396 3.785 50 30 FHEARN N#Cc1ccccc1/C=C/C(=O)Nc1nc2ccccc2nc1N1CCCC1 ZINC000021553400 211316951 /nfs/dbraw/zinc/31/69/51/211316951.db2.gz GAQNJHQJQNMBTB-VAWYXSNFSA-N 0 0 369.428 3.754 50 30 FHEARN N#CCSc1ccccc1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000021709111 211321129 /nfs/dbraw/zinc/32/11/29/211321129.db2.gz LQWGPPQFALRXNB-UHFFFAOYSA-N 0 0 351.431 3.681 50 30 FHEARN COCCNc1oc(-c2ccc(COc3ccc(C)cc3)o2)nc1C#N ZINC000020891016 211299985 /nfs/dbraw/zinc/29/99/85/211299985.db2.gz MFUXAQONYWVKTD-UHFFFAOYSA-N 0 0 353.378 3.752 50 30 FHEARN COc1ccc(-n2c(Nc3cccc(C#N)c3)c3[nH]cccc-3c2=O)cc1 ZINC000021106466 211308117 /nfs/dbraw/zinc/30/81/17/211308117.db2.gz QUVHWUKKCTYUSE-HXUWFJFHSA-N 0 0 356.385 3.733 50 30 FHEARN Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3ccccc3C#N)sc21 ZINC000020616156 211291230 /nfs/dbraw/zinc/29/12/30/211291230.db2.gz WTDCYQSUUJDIAV-UHFFFAOYSA-N 0 0 350.325 3.778 50 30 FHEARN N#CCc1ccc(Nc2c3[nH]cccc-3c(=O)n2Cc2cccs2)cc1 ZINC000020319529 211274386 /nfs/dbraw/zinc/27/43/86/211274386.db2.gz VBNIONBMXCDSTC-LJQANCHMSA-N 0 0 360.442 3.976 50 30 FHEARN COc1ccc(/C=C2\S/C(=N\c3ccccc3)NC2=O)c(OC)c1OC ZINC000020247761 211271910 /nfs/dbraw/zinc/27/19/10/211271910.db2.gz WMJKFCOEXKXXAU-PTNGSMBKSA-N 0 0 370.430 3.604 50 30 FHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccn1 ZINC000019854747 211260319 /nfs/dbraw/zinc/26/03/19/211260319.db2.gz IAAIUGODCUHJCO-IBGZPJMESA-N 0 0 354.450 3.639 50 30 FHEARN O=C1c2ccccc2C2=NC3=C(C(=O)CCC3)[C@@H](c3ccc4c(c3)OCO4)[C@H]12 ZINC000019832071 211257597 /nfs/dbraw/zinc/25/75/97/211257597.db2.gz UTFDOICSYNMKMM-CTNGQTDRSA-N 0 0 371.392 3.821 50 30 FHEARN C/C(=N\N1CCN(Cc2ccc(C)cc2C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000019800697 211256301 /nfs/dbraw/zinc/25/63/01/211256301.db2.gz XDVMVYKBMKKFQU-RELWKKBWSA-N 0 0 366.465 3.753 50 30 FHEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)N1 ZINC000019315179 211214222 /nfs/dbraw/zinc/21/42/22/211214222.db2.gz APURBVYJKSWMFZ-GOSISDBHSA-N 0 0 370.405 3.514 50 30 FHEARN COc1ccnc(Cn2ccc(-c3cccc(-c4ncccc4C#N)c3)n2)c1 ZINC000019147634 211203172 /nfs/dbraw/zinc/20/31/72/211203172.db2.gz IUZMPPPCXCFYTJ-UHFFFAOYSA-N 0 0 367.412 3.936 50 30 FHEARN COc1cc2c(c(OC)c1)[C@@H](c1cccc(O)c1)C1=C(CCCC1=O)N2 ZINC000018200463 211195523 /nfs/dbraw/zinc/19/55/23/211195523.db2.gz BDWROGODCAFASE-IBGZPJMESA-N 0 0 351.402 3.974 50 30 FHEARN COc1ccccc1-c1c(C#N)c(N)nc2c1CN(Cc1ccccc1)CC2 ZINC000018241844 211195399 /nfs/dbraw/zinc/19/53/99/211195399.db2.gz FLTLNMQPQLVMPG-UHFFFAOYSA-N 0 0 370.456 3.769 50 30 FHEARN CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNc2cccc(O)c2)C1=O ZINC000017991597 211188118 /nfs/dbraw/zinc/18/81/18/211188118.db2.gz SEZGSHANQKPIOV-PTNGSMBKSA-N 0 0 363.369 3.692 50 30 FHEARN COc1ccc(N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)cc1 ZINC000018114086 211192556 /nfs/dbraw/zinc/19/25/56/211192556.db2.gz GADWVPGOKJLMRO-UHFFFAOYSA-N 0 0 363.442 3.535 50 30 FHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(Br)cc2)cc1 ZINC000017016267 211174696 /nfs/dbraw/zinc/17/46/96/211174696.db2.gz URSBXXLCWDXPIO-OAHLLOKOSA-N 0 0 372.218 3.623 50 30 FHEARN COc1cccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)c1OC ZINC000016677831 211166555 /nfs/dbraw/zinc/16/65/55/211166555.db2.gz DGRXTLONKAMYOY-HYARGMPZSA-N 0 0 373.884 3.509 50 30 FHEARN N#Cc1ccc(C(=O)CSc2n[nH]c(C=Cc3cccs3)n2)cc1 ZINC000014200621 211085872 /nfs/dbraw/zinc/08/58/72/211085872.db2.gz WNRPWUHNWSJWCX-BQYQJAHWSA-N 0 0 352.444 3.883 50 30 FHEARN C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000014122480 211075596 /nfs/dbraw/zinc/07/55/96/211075596.db2.gz FNVAGAKKVPJVGA-CYBMUJFWSA-N 0 0 350.447 3.799 50 30 FHEARN C[C@@H](Sc1nnc(CCC2CCCC2)[nH]1)C(=O)Nc1ccccc1C#N ZINC000014076269 211070249 /nfs/dbraw/zinc/07/02/49/211070249.db2.gz JBYNRUSPPYHGAM-CYBMUJFWSA-N 0 0 369.494 3.918 50 30 FHEARN N#Cc1ccccc1CS(=O)(=O)N(Cc1ccco1)Cc1cccs1 ZINC000014067971 211070330 /nfs/dbraw/zinc/07/03/30/211070330.db2.gz JHYODQAVBSBKMP-UHFFFAOYSA-N 0 0 372.471 3.745 50 30 FHEARN CC(C)c1nc(OCC(=O)NCc2ccccc2)c(C#N)c2c1CCCC2 ZINC000013722101 211052677 /nfs/dbraw/zinc/05/26/77/211052677.db2.gz VXBZNHHTZZHQJK-UHFFFAOYSA-N 0 0 363.461 3.651 50 30 FHEARN Cc1noc2nc(C)cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c12 ZINC000013642191 211045478 /nfs/dbraw/zinc/04/54/78/211045478.db2.gz SOSNZNYHDGCPDZ-UHFFFAOYSA-N 0 0 352.419 3.904 50 30 FHEARN COc1cc(Br)c(/C=C2\COc3ccccc3C2=O)cc1O ZINC000013137345 211026730 /nfs/dbraw/zinc/02/67/30/211026730.db2.gz WAEYPBLNQIVZGG-IZZDOVSWSA-N 0 0 361.191 3.822 50 30 FHEARN N#CC(=NNc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(Br)cc1 ZINC000013108431 211024928 /nfs/dbraw/zinc/02/49/28/211024928.db2.gz YUZBUEYGRDAFSB-XMHGGMMESA-N 0 0 373.166 3.532 50 30 FHEARN COc1ccc2c(c1)CC/C(=C\c1c(C)n(C)n(-c3ccccc3)c1=O)C2=O ZINC000012886858 211004260 /nfs/dbraw/zinc/00/42/60/211004260.db2.gz FJJPWSCBVIUGEX-SAPNQHFASA-N 0 0 374.440 3.706 50 30 FHEARN CCOC(=O)c1cccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1 ZINC000010213947 210867710 /nfs/dbraw/zinc/86/77/10/210867710.db2.gz OMEFJRNGSYJORD-UHFFFAOYSA-N 0 0 363.373 3.679 50 30 FHEARN CCOCCCNc1nnc(SCc2ccc(C#N)cc2F)s1 ZINC000009336272 210828052 /nfs/dbraw/zinc/82/80/52/210828052.db2.gz KDOZRVKGUSKIFT-UHFFFAOYSA-N 0 0 352.460 3.680 50 30 FHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)CCOc1ccccc1F ZINC000008744736 210800774 /nfs/dbraw/zinc/80/07/74/210800774.db2.gz RXUUBURFZXFGFK-UHFFFAOYSA-N 0 0 367.380 3.541 50 30 FHEARN O=C1C[C@@H](c2cccc(O)c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000006819558 210706941 /nfs/dbraw/zinc/70/69/41/210706941.db2.gz AQCIFOFDWHJUTD-PBHICJAKSA-N 0 0 351.377 3.536 50 30 FHEARN CCc1nc(SCC(=O)Nc2ccc(O)cc2)c(C#N)c2c1CCCC2 ZINC000006351003 210667287 /nfs/dbraw/zinc/66/72/87/210667287.db2.gz IJZULEBEKLFNPB-UHFFFAOYSA-N 0 0 367.474 3.831 50 30 FHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 ZINC000005884873 210646551 /nfs/dbraw/zinc/64/65/51/210646551.db2.gz CZQWEUMOSBFRBV-QGZVFWFLSA-N 0 0 371.820 3.565 50 30 FHEARN COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1 ZINC000006046487 210652852 /nfs/dbraw/zinc/65/28/52/210652852.db2.gz DFSCDWBDHULLMG-QGZVFWFLSA-N 0 0 356.809 3.859 50 30 FHEARN CNc1ccc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-] ZINC000005692890 210637026 /nfs/dbraw/zinc/63/70/26/210637026.db2.gz BLDGJJNPWPBKBL-SOFGYWHQSA-N 0 0 372.377 3.558 50 30 FHEARN CCCc1ccc(C#N)c(SCC(=O)Nc2ccc(NC(C)=O)cc2)n1 ZINC000005585149 210630567 /nfs/dbraw/zinc/63/05/67/210630567.db2.gz YSKRCGHAGSWYHH-UHFFFAOYSA-N 0 0 368.462 3.595 50 30 FHEARN Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 ZINC000005017027 210591554 /nfs/dbraw/zinc/59/15/54/210591554.db2.gz CZFHIKLBHWGYJC-FMIVXFBMSA-N 0 0 360.373 3.939 50 30 FHEARN O=C1C[C@H](c2ccc(F)cc2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004914691 210579975 /nfs/dbraw/zinc/57/99/75/210579975.db2.gz BTAMLTLRATZKSX-WMLDXEAASA-N 0 0 353.368 3.969 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccco1 ZINC000004919893 210578943 /nfs/dbraw/zinc/57/89/43/210578943.db2.gz MIAKANQSXNUVFG-MGPUTAFESA-N 0 0 370.401 3.616 50 30 FHEARN COc1ccc(-n2c(NN=C(C)C)nc3sc4c(c3c2=O)CCC4)cc1 ZINC000004859712 210573182 /nfs/dbraw/zinc/57/31/82/210573182.db2.gz IEHBMJLRWNWSTL-UHFFFAOYSA-N 0 0 368.462 3.752 50 30 FHEARN Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc(C#N)cc2)CC1=O ZINC000004702441 210555142 /nfs/dbraw/zinc/55/51/42/210555142.db2.gz AKHMNMOMPXRKMO-CQSZACIVSA-N 0 0 353.809 3.512 50 30 FHEARN CCc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(OC)c(O)c3)S2)cc1 ZINC000004695378 210553429 /nfs/dbraw/zinc/55/34/29/210553429.db2.gz VFVGAAUBALUVQQ-GZTJUZNOSA-N 0 0 354.431 3.855 50 30 FHEARN CCC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 ZINC000004592095 210544431 /nfs/dbraw/zinc/54/44/31/210544431.db2.gz SJZOGLNJPMTMDH-QGOAFFKASA-N 0 0 372.337 3.500 50 30 FHEARN CCOc1ccc(-n2c(S[C@@H](C)C#N)nc3ccccc3c2=O)cc1 ZINC000003494005 210482145 /nfs/dbraw/zinc/48/21/45/210482145.db2.gz HRCIXYFWYFTTDS-ZDUSSCGKSA-N 0 0 351.431 3.789 50 30 FHEARN C[C@]1(C(=O)NC(=S)N(CCC#N)c2ccccc2F)CC1(Cl)Cl ZINC000003281232 210462458 /nfs/dbraw/zinc/46/24/58/210462458.db2.gz LKWTYIXYLMCCJP-CQSZACIVSA-N 0 0 374.268 3.531 50 30 FHEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(O)cc2)C2=C(CCCC2=O)N1 ZINC000003098463 210448690 /nfs/dbraw/zinc/44/86/90/210448690.db2.gz PCBFGNUQEMKSII-HXUWFJFHSA-N 0 0 367.445 3.846 50 30 FHEARN CCOC(=O)NC(Nc1ccc(C#N)cc1)(C(F)(F)F)C(F)(F)F ZINC000003183343 210454436 /nfs/dbraw/zinc/45/44/36/210454436.db2.gz JULDNSSXHRVJJF-UHFFFAOYSA-N 0 0 355.238 3.537 50 30 FHEARN COc1cccc(/C=N/NC(N)=S)c1OCc1cccc2ccccc21 ZINC000002805748 210426376 /nfs/dbraw/zinc/42/63/76/210426376.db2.gz DHNKDXVHWISBKC-WSDLNYQXSA-N 0 0 365.458 3.595 50 30 FHEARN N#Cc1cnn2c1nc(-c1ccc(OC(F)F)cc1)cc2C(F)(F)F ZINC000002786593 210423703 /nfs/dbraw/zinc/42/37/03/210423703.db2.gz UHKSWQXBJNGPGE-UHFFFAOYSA-N 0 0 354.238 3.888 50 30 FHEARN O=C(Oc1c(/C=N/N2CCOCC2)sc2ccccc21)c1ccccc1 ZINC000002287538 210387873 /nfs/dbraw/zinc/38/78/73/210387873.db2.gz FKLOVCCWCPQQLD-KGENOOAVSA-N 0 0 366.442 3.787 50 30 FHEARN Cc1ccc(C2N=NC(=S)N2N=CC=Cc2ccccc2[N+](=O)[O-])cc1 ZINC000002347002 210393878 /nfs/dbraw/zinc/39/38/78/210393878.db2.gz DHOLMHFYXLBMEV-RGRGLRPZSA-N 0 0 365.418 3.998 50 30 FHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(OC)c1 ZINC000002055162 210379107 /nfs/dbraw/zinc/37/91/07/210379107.db2.gz YZIBORGQMJCCMQ-LJQANCHMSA-N 0 0 355.434 3.616 50 30 FHEARN COc1ccc(OC)c(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c1 ZINC000002193637 210383519 /nfs/dbraw/zinc/38/35/19/210383519.db2.gz QNZBZVMAPWLCME-MHWRWJLKSA-N 0 0 358.394 3.735 50 30 FHEARN Cc1cc(NC(=O)C(F)(F)[C@@]2(F)OC(F)(F)C(F)(F)C2(F)F)no1 ZINC000001777284 210370409 /nfs/dbraw/zinc/37/04/09/210370409.db2.gz JWQVUOSRUBYIOD-SECBINFHSA-N 0 0 372.143 3.766 50 30 FHEARN COc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc(OC)c1OC ZINC000001940169 210375410 /nfs/dbraw/zinc/37/54/10/210375410.db2.gz HBZGSKQOJIPBDG-UHFFFAOYSA-N 0 0 372.446 3.777 50 30 FHEARN S=C1N=NC(c2ccncc2)N1N=Cc1cccc(Cl)c1Cl ZINC000001475283 210356585 /nfs/dbraw/zinc/35/65/85/210356585.db2.gz FTOMBUWHGBHESS-QGMBQPNBSA-N 0 0 350.234 3.818 50 30 FHEARN COc1ccc(OC)c(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)c1 ZINC000001473733 210355896 /nfs/dbraw/zinc/35/58/96/210355896.db2.gz NJLNDCLHMPBGKH-VXLYETTFSA-N 0 0 374.853 3.787 50 30 FHEARN CN(C)N1C(=O)C[C@H](c2c(F)cccc2Cl)C2=C1CC(C)(C)CC2=O ZINC000001422736 210351835 /nfs/dbraw/zinc/35/18/35/210351835.db2.gz DKTRTWBAOSFNPH-LLVKDONJSA-N 0 0 364.848 3.915 50 30 FHEARN O=C1N/C(=N\c2ccccn2)S[C@@H]1Cc1cccc(C(F)(F)F)c1 ZINC000001453155 210354690 /nfs/dbraw/zinc/35/46/90/210354690.db2.gz HAAREUIAIMREHT-GFCCVEGCSA-N 0 0 351.353 3.562 50 30 FHEARN COc1ccc(/C=N/N=C2/NC(=O)C(Cc3ccccc3Cl)S2)cc1 ZINC000001248726 210339355 /nfs/dbraw/zinc/33/93/55/210339355.db2.gz LPHNDZLEDLCRMT-MBTVCVBTSA-N 0 0 373.865 3.513 50 30 FHEARN CCCC(=O)C1=C(N(C)c2ccccc2)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000001234019 210338507 /nfs/dbraw/zinc/33/85/07/210338507.db2.gz SRSDGAYLPAGFRJ-GOSISDBHSA-N 0 0 357.450 3.534 50 30 FHEARN COC(=O)c1sc(NC(=O)COc2ccc(C(C)C)cc2)c(C#N)c1C ZINC000001156468 210326478 /nfs/dbraw/zinc/32/64/78/210326478.db2.gz GRQBMJSQJFJFFR-UHFFFAOYSA-N 0 0 372.446 3.856 50 30 FHEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(O)cc2)C1=O ZINC000001144816 210325147 /nfs/dbraw/zinc/32/51/47/210325147.db2.gz YBSHPQOULVCUQT-RVDMUPIBSA-N 0 0 353.399 3.546 50 30 FHEARN Clc1cc(-c2ccc(/C=N/n3cnnc3)o2)ccc1Br ZINC000001197811 210333463 /nfs/dbraw/zinc/33/34/63/210333463.db2.gz RBYNZXGGTOXOGC-NGYBGAFCSA-N 0 0 351.591 3.836 50 30 FHEARN N#Cc1c2c(sc1-n1ncnc1-c1ccc3c(c1)OCO3)CCCCC2 ZINC000001190271 210332350 /nfs/dbraw/zinc/33/23/50/210332350.db2.gz RPUQCCKRPBSYHU-UHFFFAOYSA-N 0 0 364.430 3.865 50 30 FHEARN COc1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1Br ZINC000001187560 210332237 /nfs/dbraw/zinc/33/22/37/210332237.db2.gz ZCSKHCPRIAPFEQ-UHFFFAOYSA-N 0 0 352.228 3.712 50 30 FHEARN O=C1C=C(c2cccs2)C[C@@H](c2ccccc2)[C@H]1n1cnc([N+](=O)[O-])n1 ZINC000001056206 210310201 /nfs/dbraw/zinc/31/02/01/210310201.db2.gz WQFXMBBDKDFVAK-WMLDXEAASA-N 0 0 366.402 3.629 50 30 FHEARN COC(=O)[C@H]1C(=O)C=C(Nc2ccc(F)cc2)C[C@@H]1c1ccc(OC)cc1 ZINC000001079990 210314976 /nfs/dbraw/zinc/31/49/76/210314976.db2.gz PITPOKMPKVZPRG-UYAOXDASSA-N 0 0 369.392 3.676 50 30 FHEARN CCOc1cc(C#N)c(NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC ZINC000001076820 210313703 /nfs/dbraw/zinc/31/37/03/210313703.db2.gz FFUKIQRXJHNROV-UHFFFAOYSA-N 0 0 355.350 3.516 50 30 FHEARN C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(F)cc3Cl)cc2C1=O ZINC000009690211 210302263 /nfs/dbraw/zinc/30/22/63/210302263.db2.gz QIBMZJQUNBCPTE-UHFFFAOYSA-N 0 0 358.756 3.513 50 30 FHEARN O=C1C=C(c2cccs2)C[C@H](c2cccs2)[C@H]1n1cnc([N+](=O)[O-])n1 ZINC000001056416 210309136 /nfs/dbraw/zinc/30/91/36/210309136.db2.gz WEUDMPKDCOMRRO-IAQYHMDHSA-N 0 0 372.431 3.691 50 30 FHEARN CCOC(=O)c1cc(/C(C)=N/OC(=O)c2ccc(C(C)(C)C)cc2)on1 ZINC000001047996 210307978 /nfs/dbraw/zinc/30/79/78/210307978.db2.gz VLPNMQCUFSPHPK-UDWIEESQSA-N 0 0 358.394 3.730 50 30 FHEARN Cc1cc(C)c2c(n1)sc1c2nnn(/N=C/c2ccccc2Cl)c1=O ZINC000001035445 210305027 /nfs/dbraw/zinc/30/50/27/210305027.db2.gz RUYKBPYTFAQFPE-UFWORHAWSA-N 0 0 369.837 3.554 50 30 FHEARN COC(=O)c1sc(N2CCOCC2)c(C#N)c1-c1ccc(Cl)cc1 ZINC000001037689 210304976 /nfs/dbraw/zinc/30/49/76/210304976.db2.gz ZMMUCOKYVLVYTK-UHFFFAOYSA-N 0 0 362.838 3.563 50 30 FHEARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@H]2c2ccc(Br)cc2)C1 ZINC000000950989 210295133 /nfs/dbraw/zinc/29/51/33/210295133.db2.gz XOUNBXYBUMMNBR-HNNXBMFYSA-N 0 0 373.254 3.699 50 30 FHEARN N#Cc1c2c(sc1NC(=O)CSc1nc3ccccc3o1)CCC2 ZINC000000879529 210284955 /nfs/dbraw/zinc/28/49/55/210284955.db2.gz MYMWRZGVEVSXID-UHFFFAOYSA-N 0 0 355.444 3.980 50 30 FHEARN O=C1C[C@H](c2ccccc2)CC2=Nc3ncnn3[C@H](c3ccc(F)cc3)C12 ZINC000009359177 210274806 /nfs/dbraw/zinc/27/48/06/210274806.db2.gz RHDFSFOXMIXPND-FOIQADDNSA-N 0 0 360.392 3.833 50 30 FHEARN CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000000847272 210279946 /nfs/dbraw/zinc/27/99/46/210279946.db2.gz JATFYDMGZWHNST-HXUWFJFHSA-N 0 0 368.477 3.674 50 30 FHEARN CCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000000823462 210275877 /nfs/dbraw/zinc/27/58/77/210275877.db2.gz KCHVOCHYVGRHAA-IBGZPJMESA-N 0 0 369.461 3.862 50 30 FHEARN COC(=O)c1ccc(/C=C/C(=O)c2ccc(NC(=O)NC(C)C)cc2)cc1 ZINC000032831757 220686204 /nfs/dbraw/zinc/68/62/04/220686204.db2.gz TVOQTEUPZYUROX-AWNIVKPZSA-N 0 0 366.417 3.899 50 30 FHEARN CC(C)(C)OC(=O)N(CCCNc1ccc([N+](=O)[O-])cc1C#N)C1CC1 ZINC000032927028 220700714 /nfs/dbraw/zinc/70/07/14/220700714.db2.gz RXYFUYZVMFMDQP-UHFFFAOYSA-N 0 0 360.414 3.668 50 30 FHEARN C=CCN1C(=O)S/C(=C\c2cc(Cl)c(OCC)c(OC)c2)C1=O ZINC000033642811 220746681 /nfs/dbraw/zinc/74/66/81/220746681.db2.gz SBWABEALMCRVCO-LCYFTJDESA-N 0 0 353.827 3.970 50 30 FHEARN C#CCOc1ccccc1[C@H]1Nc2ccccc2C(=O)N1c1ccncc1 ZINC000054702482 533201004 /nfs/dbraw/zinc/20/10/04/533201004.db2.gz JKFSDEFEPOMDRY-NRFANRHFSA-N 0 0 355.397 3.865 50 30 FHEARN Cc1ccc(Cn2cccc2C(=O)C(=O)Nc2cccc(C#N)c2)cc1C ZINC000065084776 221168906 /nfs/dbraw/zinc/16/89/06/221168906.db2.gz KCFSFYCBPOLDAU-UHFFFAOYSA-N 0 0 357.413 3.846 50 30 FHEARN COc1cccc(-c2c[nH]nc2C2CCN(c3cc(C#N)ccn3)CC2)c1 ZINC000067473352 221255870 /nfs/dbraw/zinc/25/58/70/221255870.db2.gz NPHBTHOAECRCOB-UHFFFAOYSA-N 0 0 359.433 3.736 50 30 FHEARN CCNc1ncc(-c2cc(-c3ccc(Cl)cc3)nc(N)c2C#N)cn1 ZINC000067643473 221264976 /nfs/dbraw/zinc/26/49/76/221264976.db2.gz OAMPCMCCCRQGME-UHFFFAOYSA-N 0 0 350.813 3.745 50 30 FHEARN C=CCNC(=O)C[C@H]1COc2ccc(Cl)cc2N1Cc1ccccc1 ZINC000064663740 132305107 /nfs/dbraw/zinc/30/51/07/132305107.db2.gz MUACDPNAYNWGJJ-KRWDZBQOSA-N 0 0 356.853 3.800 50 30 FHEARN C=CCN1CCN(C(=O)Nc2cc(Cl)ccc2OC)c2cccnc21 ZINC000064929529 132305434 /nfs/dbraw/zinc/30/54/34/132305434.db2.gz MWSLRWFOHJZKGG-UHFFFAOYSA-N 0 0 358.829 3.788 50 30 FHEARN COc1cccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)c1OC ZINC000001189942 132380811 /nfs/dbraw/zinc/38/08/11/132380811.db2.gz LAXLCTCMHRQYLM-KGENOOAVSA-N 0 0 359.857 3.513 50 30 FHEARN CCOC(=O)c1cc(C#N)c(=S)n2c1NCN(c1ccc(C)c(C)c1)C2 ZINC000009419233 132846413 /nfs/dbraw/zinc/84/64/13/132846413.db2.gz KJRXGTITKHQJPH-UHFFFAOYSA-N 0 0 368.462 3.730 50 30 FHEARN N#Cc1ncn(CC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)n1 ZINC000014143900 132873164 /nfs/dbraw/zinc/87/31/64/132873164.db2.gz BHQRINOSSOLSAT-UHFFFAOYSA-N 0 0 367.821 3.633 50 30 FHEARN CSc1ccc(/C=C\C(=O)OCC(=O)Nc2sccc2C#N)cc1 ZINC000096499090 222122651 /nfs/dbraw/zinc/12/26/51/222122651.db2.gz FYNONCYDHWLKSB-DAXSKMNVSA-N 0 0 358.444 3.537 50 30 FHEARN N#Cc1ccc(S(=O)(=O)Nc2cccc(/C=C\c3ccccn3)c2)cc1 ZINC000096742815 222129121 /nfs/dbraw/zinc/12/91/21/222129121.db2.gz UXMHSUIERVPCAB-YFHOEESVSA-N 0 0 361.426 3.924 50 30 FHEARN O=C(C1=C(O)C(=O)O[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000096793951 222130895 /nfs/dbraw/zinc/13/08/95/222130895.db2.gz GNIURVKIGJJOQX-INIZCTEOSA-N 0 0 359.721 3.541 50 30 FHEARN COc1cc(/C=C\C(=O)c2ccc3c(c2)NC(=O)CO3)cc(Cl)c1OC ZINC000096889722 222136573 /nfs/dbraw/zinc/13/65/73/222136573.db2.gz ZJFVMJRSGKBMNE-HYXAFXHYSA-N 0 0 373.792 3.584 50 30 FHEARN O=C(/C=C\c1cccc(Br)c1)c1ccc2c(c1)NC(=O)CO2 ZINC000096920109 222140070 /nfs/dbraw/zinc/14/00/70/222140070.db2.gz BUUGICGELLBDSX-XQRVVYSFSA-N 0 0 358.191 3.676 50 30 FHEARN CC[C@@H]1S/C(=N/S(=O)(=O)c2ccc(C)cc2)N(c2ccccc2)C1=O ZINC000101219150 222265741 /nfs/dbraw/zinc/26/57/41/222265741.db2.gz VWUOWRGBWXFBRK-RUNIHZNKSA-N 0 0 374.487 3.598 50 30 FHEARN COc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1 ZINC000100119741 222235909 /nfs/dbraw/zinc/23/59/09/222235909.db2.gz UFJCLJJJMKCACZ-UHFFFAOYSA-N 0 0 362.429 3.884 50 30 FHEARN CCCC(Nc1ccc(OC)cc1)=C1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000100162992 222238581 /nfs/dbraw/zinc/23/85/81/222238581.db2.gz DOVKOPOVJWJYHP-ODECOBMASA-N 0 0 373.449 3.519 50 30 FHEARN CCCCCCCCCCNC(=O)CCC(=O)N(CCC#N)CCC#N ZINC000100684581 222248828 /nfs/dbraw/zinc/24/88/28/222248828.db2.gz RZBNBEXTYRXROR-UHFFFAOYSA-N 0 0 362.518 3.679 50 30 FHEARN Cc1c(/N=C/C=C/c2ccccc2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000101095105 222262206 /nfs/dbraw/zinc/26/22/06/222262206.db2.gz XBABECWXTPHFID-OCPJZBGJSA-N 0 0 362.389 3.808 50 30 FHEARN CCOc1ccc2ccccc2c1/C=N/c1ccc(S(N)(=O)=O)cc1 ZINC000101667573 222280307 /nfs/dbraw/zinc/28/03/07/222280307.db2.gz YPIMVQSDRFADDC-FYJGNVAPSA-N 0 0 354.431 3.637 50 30 FHEARN CC(=O)[C@@H]1[C@H](c2ccccc2)C(C#N)(C#N)[C@@H](c2ccccc2)C[C@@]1(C)O ZINC000107173224 222390921 /nfs/dbraw/zinc/39/09/21/222390921.db2.gz KKHGJDYWHZQWDQ-YUMYIRISSA-N 0 0 358.441 3.947 50 30 FHEARN CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 ZINC000003535159 263330020 /nfs/dbraw/zinc/33/00/20/263330020.db2.gz OCNIHDCSCOSJSR-NRFANRHFSA-N 0 0 366.417 3.690 50 30 FHEARN CCOC(=O)COc1ccc(C=NNc2ccc(Cl)cc2)cc1OC ZINC000004646913 263334729 /nfs/dbraw/zinc/33/47/29/263334729.db2.gz ATHUIEZIHAKAIZ-RGVLZGJSSA-N 0 0 362.813 3.737 50 30 FHEARN Cc1ccccc1C(=O)OCC#CCSc1nnc(-c2ccccc2)o1 ZINC000004704607 263336487 /nfs/dbraw/zinc/33/64/87/263336487.db2.gz ABFWAQUKUUMVCH-UHFFFAOYSA-N 0 0 364.426 3.998 50 30 FHEARN O=C(/C=C/c1ccc(Br)s1)c1ccc2c(c1)NC(=O)CO2 ZINC000005335867 263339986 /nfs/dbraw/zinc/33/99/86/263339986.db2.gz IDIHDTBQFKPJNN-DUXPYHPUSA-N 0 0 364.220 3.738 50 30 FHEARN COc1cc(/C=C/C(=O)Nc2cccc(SC)c2)ccc1OCC#N ZINC000006790042 263347050 /nfs/dbraw/zinc/34/70/50/263347050.db2.gz QLPIXBAWQMLESC-VQHVLOKHSA-N 0 0 354.431 3.971 50 30 FHEARN C=CCn1nnc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)n1 ZINC000009048896 263357958 /nfs/dbraw/zinc/35/79/58/263357958.db2.gz LTGOAZFHOFMWDU-UHFFFAOYSA-N 0 0 354.222 3.633 50 30 FHEARN C=CCSc1nnc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)s1 ZINC000009954632 263363158 /nfs/dbraw/zinc/36/31/58/263363158.db2.gz OUZMZBPRTMEIEQ-UHFFFAOYSA-N 0 0 374.495 3.703 50 30 FHEARN C=CCNc1nc(C(=O)OCc2cc(=O)oc3cc(C)c(C)cc23)cs1 ZINC000010134372 263363657 /nfs/dbraw/zinc/36/36/57/263363657.db2.gz UDELDPHUBGXDQA-UHFFFAOYSA-N 0 0 370.430 3.821 50 30 FHEARN C=CCCC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1Oc1cccnc1 ZINC000012435579 263370443 /nfs/dbraw/zinc/37/04/43/263370443.db2.gz FZMLYUWUURIXDZ-GOSISDBHSA-N 0 0 365.433 3.770 50 30 FHEARN CC[C@@H](CNC(=O)CCc1c(C)nn(CCC#N)c1C)c1ccccc1 ZINC000023019556 263386969 /nfs/dbraw/zinc/38/69/69/263386969.db2.gz ZDCDVKDTZNSJAI-SFHVURJKSA-N 0 0 352.482 3.656 50 30 FHEARN C=CCc1c(C)nn(-c2nc(CC(=O)Nc3ccccc3)cs2)c1C ZINC000033019173 263394642 /nfs/dbraw/zinc/39/46/42/263394642.db2.gz LDSZIWURYFYOQQ-UHFFFAOYSA-N 0 0 352.463 3.855 50 30 FHEARN CC(C)c1nnc([C@@H](C)NC(=O)c2ccc(-c3cc(C#N)ccn3)cc2)o1 ZINC000426504409 263612150 /nfs/dbraw/zinc/61/21/50/263612150.db2.gz CORDWMRJCIHILX-CYBMUJFWSA-N 0 0 361.405 3.618 50 30 FHEARN C/C(=N\OCO/N=C(\C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000004314591 518472473 /nfs/dbraw/zinc/47/24/73/518472473.db2.gz XKMDRLSRYKKHMY-KLCVKJMQSA-N 0 0 372.337 3.642 50 30 FHEARN CC(C)(C)C(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N ZINC000019855882 518556233 /nfs/dbraw/zinc/55/62/33/518556233.db2.gz UXLZGMYVRQZAOI-UHFFFAOYSA-N 0 0 356.476 3.843 50 30 FHEARN C=C(C)COc1ccccc1C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000055403831 518620740 /nfs/dbraw/zinc/62/07/40/518620740.db2.gz IOCLNUSXARSGRI-IBGZPJMESA-N 0 0 366.461 3.858 50 30 FHEARN C=CCN(CC(=O)Nc1nc(C)cs1)C(=O)[C@@H](CC)c1ccccc1 ZINC000035746102 518758807 /nfs/dbraw/zinc/75/88/07/518758807.db2.gz SBTWNIASSJXXGH-INIZCTEOSA-N 0 0 357.479 3.598 50 30 FHEARN C=CCN(Cc1ccccc1F)C(=O)Cc1cc(OC)c(OC)c(OC)c1 ZINC000058216955 518785521 /nfs/dbraw/zinc/78/55/21/518785521.db2.gz NZNNRIDLMRPULB-UHFFFAOYSA-N 0 0 373.424 3.609 50 30 FHEARN C=CCNc1ccccc1C(=O)N(Cc1ccccn1)C[C@H]1CCCO1 ZINC000055413450 518960963 /nfs/dbraw/zinc/96/09/63/518960963.db2.gz XKLMNYWOBHIDAY-GOSISDBHSA-N 0 0 351.450 3.501 50 30 FHEARN C=CCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 ZINC000002108572 519012393 /nfs/dbraw/zinc/01/23/93/519012393.db2.gz JTQSRNNMFYLABS-ZVQQDINOSA-N 0 0 360.457 3.889 50 30 biogenic FHEARN C=CCOc1ccc(CN[C@]2(CO)CCOc3ccccc32)cc1Cl ZINC000225649580 519035372 /nfs/dbraw/zinc/03/53/72/519035372.db2.gz CZJAJVKRQMDNHD-FQEVSTJZSA-N 0 0 359.853 3.665 50 30 FHEARN CC(C)(C)c1ccc(OCCOc2ccccc2/C=N/NC(N)=S)cc1 ZINC000002970871 519042611 /nfs/dbraw/zinc/04/26/11/519042611.db2.gz WDFUNYWUTOSQQM-HYARGMPZSA-N 0 0 371.506 3.609 50 30 FHEARN C=CCc1cc(C(=O)N2CCN(c3ccccc3F)CC2)ccc1OC ZINC000014396554 519127357 /nfs/dbraw/zinc/12/73/57/519127357.db2.gz PQBISGAXSJMICU-UHFFFAOYSA-N 0 0 354.425 3.525 50 30 FHEARN C=CCn1c(C)nnc1S[C@H](C)C(=O)N[C@@H](CCC)c1ccccc1 ZINC000032559447 519174544 /nfs/dbraw/zinc/17/45/44/519174544.db2.gz WQZOFLRECJYNJI-PBHICJAKSA-N 0 0 358.511 3.911 50 30 FHEARN C=CCn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1ccc(F)cc1 ZINC000004345962 519201168 /nfs/dbraw/zinc/20/11/68/519201168.db2.gz WBPAZSNRTSCDAP-UHFFFAOYSA-N 0 0 374.485 3.621 50 30 FHEARN C=CCn1c(S[C@@H](C)C(=O)NC2CC2)nnc1-c1ccc(Cl)cc1 ZINC000005130425 519250037 /nfs/dbraw/zinc/25/00/37/519250037.db2.gz QDNBQTKHCDXPHV-NSHDSACASA-N 0 0 362.886 3.544 50 30 FHEARN C=CCn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc2c(c1)OCCO2 ZINC000100874427 519262460 /nfs/dbraw/zinc/26/24/60/519262460.db2.gz BTOKPHSNPSANOU-VZCXRCSSSA-N 0 0 370.405 3.540 50 30 FHEARN CC(C)COc1ccc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 ZINC000004332818 519762534 /nfs/dbraw/zinc/76/25/34/519762534.db2.gz WVEOZCYNARGWFJ-INIZCTEOSA-N 0 0 372.465 3.609 50 30 FHEARN CCCCCCCC(=O)OCCN(CC)S(=O)(=O)c1ccccc1 ZINC000101356717 519966333 /nfs/dbraw/zinc/96/63/33/519966333.db2.gz HBOQUUVMUDFHDO-UHFFFAOYSA-N 0 0 355.500 3.601 50 30 FHEARN CCCOc1ccc(C=NN2C(=S)N=NC2c2ccc(OC)cc2)cc1 ZINC000245226105 520340309 /nfs/dbraw/zinc/34/03/09/520340309.db2.gz IJQANIXFLNGWBH-UHFFFAOYSA-N 0 0 368.462 3.913 50 30 FHEARN CCOC(=O)C(=NNc1cccc(C(F)(F)F)c1)NCc1ccccc1 ZINC000003185047 520395047 /nfs/dbraw/zinc/39/50/47/520395047.db2.gz PYOAFWFRXSIWOC-UHFFFAOYSA-N 0 0 365.355 3.784 50 30 FHEARN CCOc1ccc(CNC(=S)NN=Cc2ccc(OC)c(OC)c2)cc1 ZINC000008686779 520927271 /nfs/dbraw/zinc/92/72/71/520927271.db2.gz FCXLTQGDMSICFY-FYJGNVAPSA-N 0 0 373.478 3.512 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@H]1c1ccco1 ZINC000240902765 521089150 /nfs/dbraw/zinc/08/91/50/521089150.db2.gz IVFRUNMVGVCYJG-PXNSSMCTSA-N 0 0 353.418 3.665 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@H]1c1ccco1 ZINC000240902764 521277434 /nfs/dbraw/zinc/27/74/34/521277434.db2.gz IVFRUNMVGVCYJG-FXAWDEMLSA-N 0 0 353.418 3.665 50 30 FHEARN CCOc1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)c1O ZINC000239248024 521328797 /nfs/dbraw/zinc/32/87/97/521328797.db2.gz XWQDBQLKQGCJJV-UHFFFAOYSA-N 0 0 374.853 3.874 50 30 FHEARN CCC(CC)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCC1 ZINC000002195260 521534231 /nfs/dbraw/zinc/53/42/31/521534231.db2.gz DPKMVDJFCASFAW-INIZCTEOSA-N 0 0 366.465 3.817 50 30 FHEARN CCSc1ccc(C(=N)NOC(=O)c2cccc(C(F)(F)F)c2)cn1 ZINC000004390295 521734620 /nfs/dbraw/zinc/73/46/20/521734620.db2.gz IZNYMNPQABSTMF-UHFFFAOYSA-N 0 0 369.368 3.690 50 30 FHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C)cc1 ZINC000006407368 523282332 /nfs/dbraw/zinc/28/23/32/523282332.db2.gz SGJXROWDQQFGNE-IBGZPJMESA-N 0 0 365.429 3.610 50 30 FHEARN CCc1ccc([C@@H](NCC(=O)NC2(C#N)CCCC2)c2cccs2)cc1 ZINC000039990637 524033043 /nfs/dbraw/zinc/03/30/43/524033043.db2.gz WEEKBBVLQCUTSR-HXUWFJFHSA-N 0 0 367.518 3.942 50 30 FHEARN Cc1cc(C)c(/C=C\C(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1C ZINC000096759325 524211216 /nfs/dbraw/zinc/21/12/16/524211216.db2.gz QQXKTISGHIUPDT-FLIBITNWSA-N 0 0 351.446 3.975 50 30 FHEARN Cc1cccc([C@@H](C(=O)N2CCC(c3cccc(C#N)c3)CC2)N(C)C)c1 ZINC000091695826 524814430 /nfs/dbraw/zinc/81/44/30/524814430.db2.gz VBNWBCOBDAZNTC-QFIPXVFZSA-N 0 0 361.489 3.876 50 30 FHEARN C[C@@H]1C[C@H](C)CN(C(=O)CSc2nc3ccccc3n2CCC#N)C1 ZINC000013139766 525376939 /nfs/dbraw/zinc/37/69/39/525376939.db2.gz CLANNKVTZCMZTB-GASCZTMLSA-N 0 0 356.495 3.547 50 30 FHEARN COc1cccc(C2N=NC(=S)N2N=CC=Cc2ccccc2OC)c1 ZINC000005932595 525732401 /nfs/dbraw/zinc/73/24/01/525732401.db2.gz RJKVFXNCZSUTPF-XCHVBMRISA-N 0 0 366.446 3.798 50 30 FHEARN C[C@@](C#N)(NC(=O)CCc1nnc(-c2ccsc2)o1)C1CCCCC1 ZINC000083862118 525737683 /nfs/dbraw/zinc/73/76/83/525737683.db2.gz RGYOVCWGKROJLT-SFHVURJKSA-N 0 0 358.467 3.709 50 30 FHEARN C[C@H](ON=C(N)Cc1ccccc1Cl)C(=O)N1c2ccccc2C[C@@H]1C ZINC000078696013 525878003 /nfs/dbraw/zinc/87/80/03/525878003.db2.gz ZHXCHAWYIKNMKX-KBPBESRZSA-N 0 0 371.868 3.538 50 30 FHEARN Cc1ccc(C(C)C)c(OCCOc2cccc(/C=N/NC(N)=S)c2)c1 ZINC000004511058 526248291 /nfs/dbraw/zinc/24/82/91/526248291.db2.gz JVQRYOUETLYGGA-LPYMAVHISA-N 0 0 371.506 3.743 50 30 FHEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccccn1 ZINC000240824851 526390131 /nfs/dbraw/zinc/39/01/31/526390131.db2.gz QLJLIVYQJAOJAV-UHFFFAOYSA-N 0 0 350.234 3.818 50 30 FHEARN N#CC1CCN(C(=O)NCc2ccc(COCc3ccccc3)cc2)CC1 ZINC000058210244 526439774 /nfs/dbraw/zinc/43/97/74/526439774.db2.gz SRRGMCZDGPYQBI-UHFFFAOYSA-N 0 0 363.461 3.849 50 30 FHEARN N#C[C@H](C(=O)CCCc1c[nH]c2ccccc12)c1nnc2n1CCCCC2 ZINC000041509869 526505101 /nfs/dbraw/zinc/50/51/01/526505101.db2.gz IWLJXHSWIMPCMV-QGZVFWFLSA-N 0 0 361.449 3.685 50 30 FHEARN Cc1oc(C)c(C(=O)OCC(=O)Nc2ccccc2SCC#N)c1C ZINC000008420432 526765998 /nfs/dbraw/zinc/76/59/98/526765998.db2.gz XBILETGKSRSILV-UHFFFAOYSA-N 0 0 358.419 3.616 50 30 FHEARN N=C(NOC(=O)COc1ccc(Cl)cc1Cl)c1ccccc1Cl ZINC000004888917 526808834 /nfs/dbraw/zinc/80/88/34/526808834.db2.gz XOEKOHNUXFBSSZ-UHFFFAOYSA-N 0 0 373.623 3.889 50 30 FHEARN O=C(/C=C/c1cnn(-c2ccccc2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000007325188 527650990 /nfs/dbraw/zinc/65/09/90/527650990.db2.gz JQQRNYUTNXZYDW-MDWZMJQESA-N 0 0 357.413 3.895 50 30 FHEARN CCOc1ccccc1-c1n[nH]c2c1CN(c1nc(C)ccc1C#N)CC2 ZINC000023505213 535481398 /nfs/dbraw/zinc/48/13/98/535481398.db2.gz DFVOSRROBIWZAX-UHFFFAOYSA-N 0 0 359.433 3.613 50 30 FHEARN CCOCCCn1c(SCC#N)nc2c3ccccc3sc2c1=O ZINC000006918685 568113473 /nfs/dbraw/zinc/11/34/73/568113473.db2.gz IENLFYFVECKOTJ-UHFFFAOYSA-N 0 0 359.476 3.653 50 30 FHEARN C=CCSc1nnc(NC(=O)CSc2nc3ccccc3o2)s1 ZINC000002870708 568375956 /nfs/dbraw/zinc/37/59/56/568375956.db2.gz YLPCWMGVAUSJNW-UHFFFAOYSA-N 0 0 364.477 3.688 50 30 aggregator FHEARN O=C(NCc1ccccc1F)c1ccc(C#CC2(O)CCCCC2)cc1 ZINC000002853798 568383574 /nfs/dbraw/zinc/38/35/74/568383574.db2.gz RBHDEMMJSBECGN-UHFFFAOYSA-N 0 0 351.421 3.802 50 30 FHEARN Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(O)cc1)[C@@H](C#N)C(=N)O2 ZINC000004859693 570551771 /nfs/dbraw/zinc/55/17/71/570551771.db2.gz JKNAEKWEAVBGFU-MJGOQNOKSA-N 0 0 358.401 3.587 50 30 FHEARN CN1c2cc3c(cc2S/C1=C/C(=O)c1cccc([N+](=O)[O-])c1)OCO3 ZINC000100299036 570552037 /nfs/dbraw/zinc/55/20/37/570552037.db2.gz YWJXZRCNJCILLU-REZTVBANSA-N 0 0 356.359 3.590 50 30 FHEARN CC(=O)[C@@H]1[C@@H](c2cccc(F)c2)C(C#N)(C#N)[C@@H]2C=Cc3ccccc3N12 ZINC000033445776 570552045 /nfs/dbraw/zinc/55/20/45/570552045.db2.gz FARYOVKZTHXNHH-PWRODBHTSA-N 0 0 357.388 3.816 50 30 FHEARN Cc1c(/N=C/c2ccc(OC(F)F)cc2)c(=O)n(-c2ccccc2)n1C ZINC000003170586 570553445 /nfs/dbraw/zinc/55/34/45/570553445.db2.gz KLQNNFZWOLSRDR-WSDLNYQXSA-N 0 0 357.360 3.836 50 30 FHEARN COc1ccccc1/C=N/N=C1/S[C@H](C)C(=O)N1Cc1ccc(F)cc1 ZINC000004899023 570556007 /nfs/dbraw/zinc/55/60/07/570556007.db2.gz XHTDHQCBSYIFBW-APOTWCRESA-N 0 0 371.437 3.688 50 30 FHEARN COc1ccc([C@H]2C[C@@H]([C@H]3C(=O)CCC[C@H]3O)C3=C(CCCC3=O)O2)cc1 ZINC000004114498 570576748 /nfs/dbraw/zinc/57/67/48/570576748.db2.gz QRSLYQPONMQITO-OBNJBMLMSA-N 0 0 370.445 3.510 50 30 FHEARN CC(C)c1ccc(-c2nnn([C@H](C)C(=O)Nc3cccc(C#N)c3)n2)cc1 ZINC000005087256 570582912 /nfs/dbraw/zinc/58/29/12/570582912.db2.gz QJQKWAZVULWTGU-CQSZACIVSA-N 0 0 360.421 3.535 50 30 FHEARN COc1ccccc1N1CCN(/N=C\c2ccccc2C(F)(F)F)CC1 ZINC000004482737 570591913 /nfs/dbraw/zinc/59/19/13/570591913.db2.gz CVSOQZJYBCIMHD-UCQKPKSFSA-N 0 0 363.383 3.870 50 30 FHEARN Cc1cccc(C(=O)N[C@H](C(=O)OCc2cc(C#N)ccc2F)C(C)C)c1 ZINC000011763650 570594874 /nfs/dbraw/zinc/59/48/74/570594874.db2.gz ZPKRHFKPBUCLJD-IBGZPJMESA-N 0 0 368.408 3.504 50 30 FHEARN CNc1ccc(Br)cc(C(=O)/C=C/c2ccc(OC)cc2)c1=O ZINC000004667405 570600198 /nfs/dbraw/zinc/60/01/98/570600198.db2.gz UWBCNTCTAWMNBH-BJMVGYQFSA-N 0 0 374.234 3.756 50 30 FHEARN COC(=O)C([C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1)[N+](=O)[O-] ZINC000004839301 570609669 /nfs/dbraw/zinc/60/96/69/570609669.db2.gz NXFNMFQEHPUXLW-IAGOWNOFSA-N 0 0 358.781 3.772 50 30 FHEARN O=C1C[C@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000004913906 570613522 /nfs/dbraw/zinc/61/35/22/570613522.db2.gz NZADYMNDCSKBCT-GXTWGEPZSA-N 0 0 368.414 3.661 50 30 FHEARN COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1 ZINC000004915479 570614122 /nfs/dbraw/zinc/61/41/22/570614122.db2.gz YVQQDLFGTUXOPL-QAPCUYQASA-N 0 0 365.404 3.839 50 30 FHEARN C=CCN1C(=O)[C@H](Cc2cccc(Cl)c2)S/C1=N/N=C/c1ccco1 ZINC000005047925 570619187 /nfs/dbraw/zinc/61/91/87/570619187.db2.gz SFUUXISYGXLKHO-RYSKPNPXSA-N 0 0 373.865 3.996 50 30 FHEARN COc1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3ccc(Cl)cc3)S2)cc1 ZINC000005048628 570619633 /nfs/dbraw/zinc/61/96/33/570619633.db2.gz CCZIGSNPLKKLMR-YODDIOPGSA-N 0 0 373.865 3.513 50 30 FHEARN O=C1CS/C(=N/N=C\c2cccc(Br)c2)N1c1ccccc1 ZINC000005061354 570620492 /nfs/dbraw/zinc/62/04/92/570620492.db2.gz FRFVEERXPDYMDB-OVNKMMOWSA-N 0 0 374.263 3.919 50 30 FHEARN COc1ccccc1C(=O)O/N=C1/CCCc2c1ccc(OC)c2[N+](=O)[O-] ZINC000005074246 570620725 /nfs/dbraw/zinc/62/07/25/570620725.db2.gz FEZNMZZCAVNZQH-HKWRFOASSA-N 0 0 370.361 3.509 50 30 FHEARN COc1cccc([C@H]2C3=C(NC4=C2C(=O)CCC4)c2ccccc2C3=O)c1 ZINC000005095290 570621161 /nfs/dbraw/zinc/62/11/61/570621161.db2.gz AZAOPXCUWDXTQL-LJQANCHMSA-N 0 0 357.409 3.997 50 30 FHEARN N#Cc1ccc(NC(=O)N2CCN(CCc3ccccc3)CC2)cc1Cl ZINC000071901282 570621623 /nfs/dbraw/zinc/62/16/23/570621623.db2.gz ZIIUDVGSKLTBRA-UHFFFAOYSA-N 0 0 368.868 3.604 50 30 FHEARN Cc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4O)CC3=Nc3ncnn32)cc1 ZINC000005203753 570633146 /nfs/dbraw/zinc/63/31/46/570633146.db2.gz RIDQMOCZEPJQEZ-QVKFZJNVSA-N 0 0 372.428 3.708 50 30 FHEARN CC(C)[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCCO2 ZINC000005407905 570653418 /nfs/dbraw/zinc/65/34/18/570653418.db2.gz NFRUHTOHIIBVSA-HXUWFJFHSA-N 0 0 350.418 3.847 50 30 FHEARN COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(C)cc1 ZINC000006813188 570654897 /nfs/dbraw/zinc/65/48/97/570654897.db2.gz NZJBEITWUKRMOI-QGZVFWFLSA-N 0 0 371.458 3.671 50 30 FHEARN COc1cc(C#N)ccc1OCC(=O)c1cc(C)n(-c2nccs2)c1C ZINC000005629895 570682858 /nfs/dbraw/zinc/68/28/58/570682858.db2.gz VFVROLGFBWFCDN-UHFFFAOYSA-N 0 0 367.430 3.693 50 30 FHEARN C[C@@H]1/C(=N/O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004344353 570750508 /nfs/dbraw/zinc/75/05/08/570750508.db2.gz LFGUOKSONBHVJF-TZVIPLRESA-N 0 0 370.365 3.745 50 30 FHEARN O=C(CCc1ncc(-c2ccccc2)o1)Nc1n[nH]c(C(F)(F)F)n1 ZINC000012974020 570769096 /nfs/dbraw/zinc/76/90/96/570769096.db2.gz CWPGJEXRGVEZRB-UHFFFAOYSA-N 0 0 351.288 3.699 50 30 FHEARN O=[N+]([O-])c1cccc(-c2ccc(CN=NC(=S)NCc3ccco3)o2)c1 ZINC000013658782 570782489 /nfs/dbraw/zinc/78/24/89/570782489.db2.gz VEUOZDDEHGZFKK-YBFXNURJSA-N 0 0 370.390 3.857 50 30 FHEARN CCOc1ccccc1N1CCN(C(=S)NCc2ccccc2)CC1 ZINC000013878969 570794904 /nfs/dbraw/zinc/79/49/04/570794904.db2.gz HXTWTMMGBWIRIG-UHFFFAOYSA-N 0 0 355.507 3.693 50 30 FHEARN O=C(Nc1nnc(/N=C/c2ccc([N+](=O)[O-])s2)s1)c1cccs1 ZINC000004480607 570796741 /nfs/dbraw/zinc/79/67/41/570796741.db2.gz JMZAESKSTNXQGY-AWNIVKPZSA-N 0 0 365.421 3.572 50 30 FHEARN C=CCc1cccc2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3C)c(=O)oc21 ZINC000004094417 570811679 /nfs/dbraw/zinc/81/16/79/570811679.db2.gz XHSBZQPAROHIMK-UHFFFAOYSA-N 0 0 364.357 3.990 50 30 FHEARN CCCC(=O)C1=C(c2ccccc2)N(C(=O)CCC)n2c(C)nnc2S1 ZINC000004518263 570814732 /nfs/dbraw/zinc/81/47/32/570814732.db2.gz QWVHOCSXSNBEGX-UHFFFAOYSA-N 0 0 370.478 3.695 50 30 FHEARN Cc1noc2nc(C3CC3)cc(C(=O)OCc3cn4ccccc4c3C#N)c12 ZINC000032899121 570836978 /nfs/dbraw/zinc/83/69/78/570836978.db2.gz YTIZLWGJADBAEP-UHFFFAOYSA-N 0 0 372.384 3.890 50 30 FHEARN C[C@H](SCCOc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000015498502 570839405 /nfs/dbraw/zinc/83/94/05/570839405.db2.gz IZHUWSHBCKFHET-LBPRGKRZSA-N 0 0 362.401 3.976 50 30 FHEARN C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(C)C)cc1 ZINC000032904783 570843086 /nfs/dbraw/zinc/84/30/86/570843086.db2.gz WGDABQNRPXNHAP-UHFFFAOYSA-N 0 0 358.463 3.527 50 30 FHEARN CCOC(=O)C(=NNc1cccc(C(F)(F)F)c1)NC1CCCCC1 ZINC000003188351 570887304 /nfs/dbraw/zinc/88/73/04/570887304.db2.gz SVBFGBGNRXPLRP-UHFFFAOYSA-N 0 0 357.376 3.916 50 30 FHEARN N#C[C@H](c1ccccc1)c1ccc(NC(=O)N2CCOCC2)cc1Cl ZINC000047565539 570892500 /nfs/dbraw/zinc/89/25/00/570892500.db2.gz LXDLCHCZBQBEBV-QGZVFWFLSA-N 0 0 355.825 3.860 50 30 FHEARN C[C@@H]1C[C@H]1c1ccc(CN(C(=O)COc2cccc(C#N)c2)C2CC2)o1 ZINC000045034488 570904665 /nfs/dbraw/zinc/90/46/65/570904665.db2.gz INRWUECPWDQWBI-AUUYWEPGSA-N 0 0 350.418 3.845 50 30 FHEARN COc1cccc(NC(=NC(=O)c2cccc(C)c2)NCc2ccccn2)c1 ZINC000046125444 570926665 /nfs/dbraw/zinc/92/66/65/570926665.db2.gz HBGMKYRVPGXCHP-UHFFFAOYSA-N 0 0 374.444 3.797 50 30 FHEARN Cc1ccc(C(=O)N=C(NCc2cccnc2)Nc2ccc(F)cc2)cc1 ZINC000046128270 570927606 /nfs/dbraw/zinc/92/76/06/570927606.db2.gz YMVTYTZBYUHBDX-UHFFFAOYSA-N 0 0 362.408 3.927 50 30 FHEARN Cc1ccc(NC(=NC(=O)c2ccc(F)cc2)NC[C@H]2CCCO2)cc1 ZINC000046130338 570928014 /nfs/dbraw/zinc/92/80/14/570928014.db2.gz HBLKNKYSNCYYBY-GOSISDBHSA-N 0 0 355.413 3.511 50 30 FHEARN Cc1ccc(NC(=NC(=O)c2cccc(C)c2)NC[C@@H]2CCCO2)cc1 ZINC000046130312 570928060 /nfs/dbraw/zinc/92/80/60/570928060.db2.gz DXTDWNHROCDXBG-IBGZPJMESA-N 0 0 351.450 3.680 50 30 FHEARN CCc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(C)cc2)cc1 ZINC000046130370 570928114 /nfs/dbraw/zinc/92/81/14/570928114.db2.gz MOKXRDWYEIEAOK-FQEVSTJZSA-N 0 0 365.477 3.934 50 30 FHEARN CCc1ccccc1NC(=NC(=O)c1ccccc1)NC[C@@H]1CCCO1 ZINC000046131147 570928447 /nfs/dbraw/zinc/92/84/47/570928447.db2.gz YDTDOEIYXDNJKH-SFHVURJKSA-N 0 0 351.450 3.626 50 30 FHEARN Cc1cc(C)cc(NC(=NC(=O)c2ccc(F)cc2)NC[C@@H]2CCCO2)c1 ZINC000046131510 570928455 /nfs/dbraw/zinc/92/84/55/570928455.db2.gz PFCBNOHFVBZRLY-IBGZPJMESA-N 0 0 369.440 3.819 50 30 FHEARN CCc1cccc(NC(=NC(=O)c2ccccc2)NC[C@H]2CCCO2)c1 ZINC000046130791 570928506 /nfs/dbraw/zinc/92/85/06/570928506.db2.gz QMEAWMPWOMJGIU-LJQANCHMSA-N 0 0 351.450 3.626 50 30 FHEARN CC(C)N(C[C@H]1CCCN(c2ncccc2C#N)C1)C(=O)OC(C)(C)C ZINC000048271540 570939784 /nfs/dbraw/zinc/93/97/84/570939784.db2.gz IGGIUZLBQHEBCX-INIZCTEOSA-N 0 0 358.486 3.815 50 30 FHEARN N#Cc1ccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 ZINC000051364487 570945235 /nfs/dbraw/zinc/94/52/35/570945235.db2.gz WEJQKFKYEOGSPU-SFHVURJKSA-N 0 0 355.397 3.717 50 30 FHEARN Cc1sc(NC(=O)CCCn2c3ccccc3oc2=O)c(C#N)c1C ZINC000048324354 570945577 /nfs/dbraw/zinc/94/55/77/570945577.db2.gz ZNGOQCPUGVUJCA-UHFFFAOYSA-N 0 0 355.419 3.563 50 30 FHEARN COc1ccccc1-c1nc(NC(=O)COCc2ccccc2Cl)n[nH]1 ZINC000048356190 570950083 /nfs/dbraw/zinc/95/00/83/570950083.db2.gz RXHCCKCGXVMDAT-UHFFFAOYSA-N 0 0 372.812 3.939 50 30 FHEARN C=CCn1c(SCCOc2cccc(C#N)c2)nc2sccc2c1=O ZINC000048356037 570950167 /nfs/dbraw/zinc/95/01/67/570950167.db2.gz PJIOGOBPNSMGBV-UHFFFAOYSA-N 0 0 369.471 3.687 50 30 FHEARN Cc1ccc(-c2nc(C)cc(OCC(=O)Nc3ccc(C#N)cc3)n2)cc1 ZINC000049006890 570961072 /nfs/dbraw/zinc/96/10/72/570961072.db2.gz QJSLKIYBEURLMA-UHFFFAOYSA-N 0 0 358.401 3.650 50 30 FHEARN C=CCn1nc(C)c(CN2CCc3nc[nH]c3[C@@H]2c2cccc(F)c2)c1C ZINC000067473381 570999229 /nfs/dbraw/zinc/99/92/29/570999229.db2.gz BNFPGPDZPTVHNL-NRFANRHFSA-N 0 0 365.456 3.696 50 30 FHEARN N#C[C@@H]1c2nc3ccccc3nc2N2C=CC(C(=O)c3ccccc3)=C[C@@H]12 ZINC000001272729 571046008 /nfs/dbraw/zinc/04/60/08/571046008.db2.gz NJIMBDNRCFGZTG-LPHOPBHVSA-N 0 0 350.381 3.762 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC ZINC000003082322 571053656 /nfs/dbraw/zinc/05/36/56/571053656.db2.gz PVCGMZDEZYIOOS-LJQANCHMSA-N 0 0 369.461 3.862 50 30 FHEARN FC(F)Oc1ccc(NC(=S)NC[C@@H]2COc3ccccc3O2)cc1 ZINC000008685136 571055183 /nfs/dbraw/zinc/05/51/83/571055183.db2.gz DQSUESGBYAWOHB-CYBMUJFWSA-N 0 0 366.389 3.826 50 30 FHEARN C[C@@H](Sc1n[nH]c(-c2cccs2)n1)C(=O)Nc1ccc(C#N)cc1 ZINC000008757205 571060275 /nfs/dbraw/zinc/06/02/75/571060275.db2.gz ANCRATXTGPRLSO-SNVBAGLBSA-N 0 0 355.448 3.524 50 30 FHEARN CN(C)C(=O)O[C@@H]1C=CC(=O)[C@@](C)(c2ccc(-c3ccccc3)cc2)O1 ZINC000033815025 571067078 /nfs/dbraw/zinc/06/70/78/571067078.db2.gz TYYVMWTWMVOKBB-PZJWPPBQSA-N 0 0 351.402 3.749 50 30 FHEARN COc1ccc(Cl)cc1CN(C)[C@@H](C)C(=O)Nc1sccc1C#N ZINC000008919105 571073260 /nfs/dbraw/zinc/07/32/60/571073260.db2.gz GURQDUSIZDVAHK-NSHDSACASA-N 0 0 363.870 3.741 50 30 FHEARN C=CCN(Cc1ccco1)C(=O)CCc1nc(-c2ccccc2F)no1 ZINC000065431040 571074210 /nfs/dbraw/zinc/07/42/10/571074210.db2.gz SNLDQDMSFUETSX-UHFFFAOYSA-N 0 0 355.369 3.616 50 30 FHEARN Cc1noc(C)c1CCC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 ZINC000024983721 571083289 /nfs/dbraw/zinc/08/32/89/571083289.db2.gz JUHAOXARSBCANU-UHFFFAOYSA-N 0 0 366.446 3.782 50 30 FHEARN N#Cc1cc([N+](=O)[O-])ccc1NCCNc1ncc(Cl)cc1Cl ZINC000084351052 571083313 /nfs/dbraw/zinc/08/33/13/571083313.db2.gz CBGDXCIMVHYSQL-UHFFFAOYSA-N 0 0 352.181 3.692 50 30 FHEARN CC(C)(C)c1noc(C2CN(c3ccc(Br)cc3C#N)C2)n1 ZINC000685940874 571100070 /nfs/dbraw/zinc/10/00/70/571100070.db2.gz YKWKONJTGXCZKZ-UHFFFAOYSA-N 0 0 361.243 3.605 50 30 FHEARN CCOC(=O)N1CCc2c(C#N)c(NC(=O)c3ccc(F)cc3)sc2C1 ZINC000004281001 571103427 /nfs/dbraw/zinc/10/34/27/571103427.db2.gz FFIUNOOIWIUOLO-UHFFFAOYSA-N 0 0 373.409 3.526 50 30 FHEARN O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccco1)C1c3ccccc3C2c2ccccc21 ZINC000004304443 571110265 /nfs/dbraw/zinc/11/02/65/571110265.db2.gz ZBOWLFYYHHLFEU-HMIUDANVSA-N 0 0 368.392 3.506 50 30 FHEARN CCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccccc2)cc1OC ZINC000005788542 571111714 /nfs/dbraw/zinc/11/17/14/571111714.db2.gz NOPWGPSFEWLXIQ-LJQANCHMSA-N 0 0 366.417 3.605 50 30 FHEARN CCOc1ccccc1[C@H]1c2ccc(O)cc2Oc2nc(N)c(C#N)c(N)c21 ZINC000085409081 571113026 /nfs/dbraw/zinc/11/30/26/571113026.db2.gz RUPFXMQVLFANBB-KRWDZBQOSA-N 0 0 374.400 3.508 50 30 FHEARN COc1cccc(/C=C2\Oc3cc(OC(=O)C4CC4)ccc3C2=O)c1OC ZINC000013777899 571114521 /nfs/dbraw/zinc/11/45/21/571114521.db2.gz MUNVZBQLCYYCQN-ZDLGFXPLSA-N 0 0 366.369 3.635 50 30 FHEARN C=CCn1c(C)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000012851215 571118722 /nfs/dbraw/zinc/11/87/22/571118722.db2.gz UZXLPWFYGSWEAW-UHFFFAOYSA-N 0 0 357.266 3.810 50 30 FHEARN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nc2cc(Cl)ccc2n1C ZINC000057996470 571123675 /nfs/dbraw/zinc/12/36/75/571123675.db2.gz TYDXTMFYZSRNGV-GTNSWQLSSA-N 0 0 364.902 3.762 50 30 FHEARN C=CCN(Cc1ccccc1F)C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000058202364 571128792 /nfs/dbraw/zinc/12/87/92/571128792.db2.gz ZWDMZDQQEGTJDT-UHFFFAOYSA-N 0 0 368.456 3.700 50 30 FHEARN CCOc1cc(/C=N/n2cnnc2SCc2ccc(C)cc2)ccc1O ZINC000000940370 571135272 /nfs/dbraw/zinc/13/52/72/571135272.db2.gz FBQWRRAWCMFAQU-SRZZPIQSSA-N 0 0 368.462 3.865 50 30 FHEARN C=CCOc1ccc(/C=C\C(=O)OCC(=O)NCCC2=CCCCC2)cc1 ZINC000096450184 571138754 /nfs/dbraw/zinc/13/87/54/571138754.db2.gz YMXYPVMOLHKUDX-RAXLEYEMSA-N 0 0 369.461 3.815 50 30 FHEARN N#Cc1ccc(NCC(=O)N2CCC(Oc3ccccc3Cl)CC2)cc1 ZINC000126109109 571139023 /nfs/dbraw/zinc/13/90/23/571139023.db2.gz NHYJGWHNVGZBES-UHFFFAOYSA-N 0 0 369.852 3.694 50 30 FHEARN CC(=O)[C@@H]1[C@H](c2ccccc2F)C(C#N)(C#N)[C@@H]2C=Cc3ccccc3N12 ZINC000016034319 571151974 /nfs/dbraw/zinc/15/19/74/571151974.db2.gz AGDKEVSFFHBIQT-PCCBWWKXSA-N 0 0 357.388 3.816 50 30 FHEARN CN1C(=O)[C@@H](CC(=O)Nc2ccccc2Cl)S/C1=N\c1ccccc1 ZINC000004681667 571159950 /nfs/dbraw/zinc/15/99/50/571159950.db2.gz NQFHGJRZBCMHGD-MEUCICPISA-N 0 0 373.865 3.930 50 30 FHEARN C#CCOc1ccc(Cl)cc1C(=O)N=C(N)NC1CCCCCCC1 ZINC000071775210 571166586 /nfs/dbraw/zinc/16/65/86/571166586.db2.gz VPWQCZCMPYUPEC-UHFFFAOYSA-N 0 0 361.873 3.509 50 30 FHEARN CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)o1)C1=C(CCCC1=O)N2 ZINC000005923933 571168343 /nfs/dbraw/zinc/16/83/43/571168343.db2.gz GNZLCANYRUZGKN-HNNXBMFYSA-N 0 0 371.462 3.738 50 30 FHEARN N#CCOc1cc(F)ccc1NC(=O)c1cnn(-c2ccccc2Cl)c1 ZINC000120776651 571173715 /nfs/dbraw/zinc/17/37/15/571173715.db2.gz GRSFRRIKXQYIMX-UHFFFAOYSA-N 0 0 370.771 3.819 50 30 FHEARN CCOc1ccccc1OCCCC(=O)Oc1ccc(C#N)cc1OC ZINC000006310127 571174215 /nfs/dbraw/zinc/17/42/15/571174215.db2.gz XLSRAYGNFQGZLR-UHFFFAOYSA-N 0 0 355.390 3.730 50 30 FHEARN Cc1ccc(CN(C)C(=O)CSc2nc3ccccc3n2CCC#N)o1 ZINC000012531808 571175138 /nfs/dbraw/zinc/17/51/38/571175138.db2.gz WYDRONXHRUDNGH-UHFFFAOYSA-N 0 0 368.462 3.602 50 30 FHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)Cn3cnc4ccccc43)sc2C1 ZINC000012551445 571179774 /nfs/dbraw/zinc/17/97/74/571179774.db2.gz QDKIKOKDUMSHIZ-GFCCVEGCSA-N 0 0 350.447 3.733 50 30 FHEARN CN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1N1CCCCC1 ZINC000012554074 571180456 /nfs/dbraw/zinc/18/04/56/571180456.db2.gz SZHLLFUIQUEPJT-UHFFFAOYSA-N 0 0 362.477 3.619 50 30 FHEARN COCCN(Cc1ccc(C#N)cc1)c1nc(-c2ccccc2)ns1 ZINC000122845269 571182451 /nfs/dbraw/zinc/18/24/51/571182451.db2.gz KTBLIGJHBMJCDT-UHFFFAOYSA-N 0 0 350.447 3.730 50 30 FHEARN CCc1cc2c(ncnc2SCC(=O)Nc2cccc(C#N)c2)s1 ZINC000002622489 571191586 /nfs/dbraw/zinc/19/15/86/571191586.db2.gz DRRMZVYHSMPGFM-UHFFFAOYSA-N 0 0 354.460 3.856 50 30 FHEARN Cc1ccc(NC(=O)[C@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1Cl ZINC000006478142 571201614 /nfs/dbraw/zinc/20/16/14/571201614.db2.gz TYRVLOZZXBXUGT-STMXVASLSA-N 0 0 360.763 3.696 50 30 FHEARN Cc1cc(-c2cccc(C(=O)NCc3nccn3C(C)C)c2)nc(C)c1C#N ZINC000584893038 571202028 /nfs/dbraw/zinc/20/20/28/571202028.db2.gz HELWIESNSWUMFZ-UHFFFAOYSA-N 0 0 373.460 3.945 50 30 FHEARN Cc1ccccc1[C@H]1C(C(=O)Nc2ccccn2)=C(C)NC2=C1C(=O)CCC2 ZINC000005646570 571214364 /nfs/dbraw/zinc/21/43/64/571214364.db2.gz FEBHLVREBIFVGE-NRFANRHFSA-N 0 0 373.456 3.997 50 30 FHEARN N#C[C@H]1CCCN(C(=O)c2cccc(-c3ccc(Cn4ccnc4)cc3)c2)C1 ZINC000426698501 571235627 /nfs/dbraw/zinc/23/56/27/571235627.db2.gz WCVBUUOYCUMNRM-LJQANCHMSA-N 0 0 370.456 3.974 50 30 FHEARN CCOc1ccc(C2N=NC(=S)N2NN=Cc2ccc(C)s2)cc1 ZINC000009087831 571237483 /nfs/dbraw/zinc/23/74/83/571237483.db2.gz PGTNLFRIKWCGAO-LICLKQGHSA-N 0 0 359.480 3.580 50 30 FHEARN N#Cc1ccc(C(=O)Oc2ccc3c(c2)oc(=O)cc3C(F)(F)F)cc1 ZINC000006628262 571237650 /nfs/dbraw/zinc/23/76/50/571237650.db2.gz AFASSBYNXRHHQH-UHFFFAOYSA-N 0 0 359.259 3.903 50 30 FHEARN CC[C@@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2ccccc2)C1=O ZINC000036093475 571241120 /nfs/dbraw/zinc/24/11/20/571241120.db2.gz WWBJYSXXPCKNMT-MXWPMSCXSA-N 0 0 367.474 3.939 50 30 FHEARN C=CCN1c2ccccc2[C@@](O)(CC(=O)C=CC=Cc2ccccc2)C1=O ZINC000169618360 571244275 /nfs/dbraw/zinc/24/42/75/571244275.db2.gz SGLAWCKYTLMZBX-YLAGOWMUSA-N 0 0 359.425 3.636 50 30 FHEARN CCn1cc(/C=C/C(=O)c2ccc(I)cc2)c(C)n1 ZINC000006791941 571246766 /nfs/dbraw/zinc/24/67/66/571246766.db2.gz UJVJREHULXEAHU-RMKNXTFCSA-N 0 0 366.202 3.712 50 30 FHEARN Cc1cc(-c2ccc(C)c(S(=O)(=O)Nc3cccc(C#N)c3)c2)on1 ZINC000006887752 571253127 /nfs/dbraw/zinc/25/31/27/571253127.db2.gz QYMOWZDALIUNHW-UHFFFAOYSA-N 0 0 353.403 3.631 50 30 FHEARN N#Cc1c(N)nc2c(c1N)[C@@H](c1ccccc1Cl)c1ccc(N)cc1O2 ZINC000036559233 571257056 /nfs/dbraw/zinc/25/70/56/571257056.db2.gz OOXCZVSNJHAVMK-HNNXBMFYSA-N 0 0 363.808 3.639 50 30 FHEARN N#Cc1cnn(-c2ncnc3scc(-c4ccccc4Cl)c32)c1N ZINC000036646082 571259814 /nfs/dbraw/zinc/25/98/14/571259814.db2.gz AFUBGAMGPDGRNA-UHFFFAOYSA-N 0 0 352.810 3.651 50 30 FHEARN N#Cc1cnc2c(F)ccc(Cl)c2c1N[C@@H]1c2ccccc2C[C@@H]1O ZINC000170014727 571260536 /nfs/dbraw/zinc/26/05/36/571260536.db2.gz WJBBUZJOLOPLIA-MAUKXSAKSA-N 0 0 353.784 3.969 50 30 FHEARN CCOc1ccc(C2N=NC(=S)N2NN=Cc2ccc(Cl)cc2)cc1 ZINC000006876068 571276746 /nfs/dbraw/zinc/27/67/46/571276746.db2.gz IEQNRIGHTGMJRE-YBFXNURJSA-N 0 0 373.869 3.864 50 30 FHEARN Cc1cccc(NC(=S)NN=Cc2cc(Br)ccc2O)c1 ZINC000252460358 571278913 /nfs/dbraw/zinc/27/89/13/571278913.db2.gz DUOBDEAFXOWDLH-UHFFFAOYSA-N 0 0 364.268 3.784 50 30 FHEARN O=C(/C=C\c1cnn(-c2ccccc2)c1)c1cccc(N2CCOC2=O)c1 ZINC000214909803 571283724 /nfs/dbraw/zinc/28/37/24/571283724.db2.gz ONKVWKDRHDDVRV-KTKRTIGZSA-N 0 0 359.385 3.725 50 30 FHEARN CCC(=Nc1ccc([N+](=O)[O-])cc1)N(C#N)CCOC(=O)c1ccccc1 ZINC000252600724 571284629 /nfs/dbraw/zinc/28/46/29/571284629.db2.gz DTJDHVPGSSPHEG-UHFFFAOYSA-N 0 0 366.377 3.675 50 30 FHEARN COc1ccc2c(c1)C(=NOC(=O)c1ccc(OC)c(OC)c1)CCC2 ZINC000252608133 571284970 /nfs/dbraw/zinc/28/49/70/571284970.db2.gz HGYXKQJOJACMFE-UHFFFAOYSA-N 0 0 355.390 3.610 50 30 FHEARN COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cccc(C#N)c1 ZINC000007689132 571285868 /nfs/dbraw/zinc/28/58/68/571285868.db2.gz VIICIYCUXBXSNL-UHFFFAOYSA-N 0 0 364.323 3.855 50 30 FHEARN CC(Cn1nnc2ccccc21)=NOC(=O)c1cc(F)c(F)cc1Cl ZINC000252614634 571285982 /nfs/dbraw/zinc/28/59/82/571285982.db2.gz JLFNMMWBXNYBBA-UHFFFAOYSA-N 0 0 364.739 3.596 50 30 FHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCc1cc(-c2cccs2)on1 ZINC000007819410 571289875 /nfs/dbraw/zinc/28/98/75/571289875.db2.gz UZZVNQUABWCEDS-GFCCVEGCSA-N 0 0 354.387 3.785 50 30 FHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CN(C)Cc3cccc(F)c3)sc2C1 ZINC000007843507 571290282 /nfs/dbraw/zinc/29/02/82/571290282.db2.gz CBENMFNZWVOQGJ-CYBMUJFWSA-N 0 0 371.481 3.954 50 30 FHEARN Cc1c(C#N)c2[nH]c3ccccc3n2c(=O)c1C=Nc1cccc(N(C)C)c1 ZINC000252633596 571290707 /nfs/dbraw/zinc/29/07/07/571290707.db2.gz WEPFQBNFQCCONA-UHFFFAOYSA-N 0 0 369.428 3.778 50 30 FHEARN CC(=NOCON=C(C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000252636578 571291492 /nfs/dbraw/zinc/29/14/92/571291492.db2.gz XKMDRLSRYKKHMY-UHFFFAOYSA-N 0 0 372.337 3.642 50 30 FHEARN C=CCn1c(C)c(C=c2sc3nc4ccccc4n3c2=O)c2ccccc21 ZINC000252677058 571292542 /nfs/dbraw/zinc/29/25/42/571292542.db2.gz XZTNMIGJPVZVPG-UHFFFAOYSA-N 0 0 371.465 3.906 50 30 FHEARN COc1ccc(-c2nnc(SCc3ccccc3C#N)o2)c(OC)c1 ZINC000007007502 571319756 /nfs/dbraw/zinc/31/97/56/571319756.db2.gz BNUJLHCPDLBAPK-UHFFFAOYSA-N 0 0 353.403 3.918 50 30 FHEARN N#CCCn1cc(C(=O)CN2CCOc3cccc(F)c32)c2ccccc21 ZINC000079103662 571327020 /nfs/dbraw/zinc/32/70/20/571327020.db2.gz RYEJROITJIONIV-UHFFFAOYSA-N 0 0 363.392 3.776 50 30 FHEARN N#C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)c1nnc2n1CCCCC2 ZINC000095348919 571328784 /nfs/dbraw/zinc/32/87/84/571328784.db2.gz DAPBDOMOSGVELD-LLVKDONJSA-N 0 0 364.236 3.557 50 30 FHEARN N#Cc1ccccc1-c1ccccc1C(=O)NCCc1ccc(CO)cc1 ZINC000095463242 571330324 /nfs/dbraw/zinc/33/03/24/571330324.db2.gz FOXDTBLTZRXVDJ-UHFFFAOYSA-N 0 0 356.425 3.690 50 30 FHEARN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)CCC(F)(F)F ZINC000095953657 571332770 /nfs/dbraw/zinc/33/27/70/571332770.db2.gz RQDUQHNVEVFOEC-LBPRGKRZSA-N 0 0 359.417 3.904 50 30 FHEARN C[C@H](CC#N)Sc1ccccc1NC(=O)CSc1nncn1C1CC1 ZINC000095953385 571332813 /nfs/dbraw/zinc/33/28/13/571332813.db2.gz BFHCDMXUDIPEFO-GFCCVEGCSA-N 0 0 373.507 3.738 50 30 FHEARN C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H](C)[C@H]1COc2ccccc21 ZINC000095974327 571333267 /nfs/dbraw/zinc/33/32/67/571333267.db2.gz ZOILYAKJOJOCBF-DNVCBOLYSA-N 0 0 352.409 3.535 50 30 FHEARN C=CCn1c(C)cc(C(=O)CSc2nc(-c3ccccc3)cn2N)c1C ZINC000002662847 571340307 /nfs/dbraw/zinc/34/03/07/571340307.db2.gz YMHAMJJJFOWVCV-UHFFFAOYSA-N 0 0 366.490 3.843 50 30 FHEARN Cn1nc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1C(F)(F)F ZINC000002781129 571340951 /nfs/dbraw/zinc/34/09/51/571340951.db2.gz NOKVODFLJANJPV-UHFFFAOYSA-N 0 0 354.357 3.503 50 30 FHEARN Cc1cc(C(F)F)nc(SCn2cc(Br)cn2)c1C#N ZINC000002783910 571340979 /nfs/dbraw/zinc/34/09/79/571340979.db2.gz ZHJKQXHTOOUAKZ-UHFFFAOYSA-N 0 0 359.199 3.908 50 30 FHEARN NC(=S)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 ZINC000002805706 571341200 /nfs/dbraw/zinc/34/12/00/571341200.db2.gz PRIZDNPCWVBWPG-UFWORHAWSA-N 0 0 354.262 3.740 50 30 FHEARN CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)c1cccc(F)c1C#N ZINC000029531099 571342694 /nfs/dbraw/zinc/34/26/94/571342694.db2.gz XRESUSQFOANVPR-UHFFFAOYSA-N 0 0 365.330 3.626 50 30 FHEARN COc1ccccc1NC(=O)C1CCN(Cc2cc(C#N)ccc2F)CC1 ZINC000029908562 571343970 /nfs/dbraw/zinc/34/39/70/571343970.db2.gz GMGXPEJPOAPGPE-UHFFFAOYSA-N 0 0 367.424 3.557 50 30 FHEARN N#Cc1ccc(-c2ccccc2Cl)n(Cc2ccc([N+](=O)[O-])cc2)c1=O ZINC000003051156 571344307 /nfs/dbraw/zinc/34/43/07/571344307.db2.gz JVDYGOFJUKUMNE-UHFFFAOYSA-N 0 0 365.776 3.997 50 30 FHEARN CCCN(C)c1ccc(/C=N/NC(=S)Nc2cccc(OC)c2)cc1 ZINC000003051074 571344328 /nfs/dbraw/zinc/34/43/28/571344328.db2.gz DDOXOSFAXHBKOQ-XSFVSMFZSA-N 0 0 356.495 3.862 50 30 FHEARN N#CCCn1cc(/C=C2\N=C3CCCCCN3C2=O)c(-c2ccccc2)n1 ZINC000003192872 571345389 /nfs/dbraw/zinc/34/53/89/571345389.db2.gz UTAPJGKUHNUHMR-JXAWBTAJSA-N 0 0 359.433 3.619 50 30 FHEARN N#Cc1ccc(NC(=O)CSc2nncn2-c2ccccc2)cc1Cl ZINC000003345568 571347962 /nfs/dbraw/zinc/34/79/62/571347962.db2.gz UXLMRQCFMIBCTJ-UHFFFAOYSA-N 0 0 369.837 3.523 50 30 FHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)[C@H]3COc4ccccc4O3)sc2C1 ZINC000004088489 571355082 /nfs/dbraw/zinc/35/50/82/571355082.db2.gz PMVPMAWTSPHZIM-BDJLRTHQSA-N 0 0 354.431 3.523 50 30 FHEARN O=C(/C=C/N1CCC[C@H]1C(=O)Nc1cccc2ccccc21)C(F)(F)F ZINC000004119702 571355615 /nfs/dbraw/zinc/35/56/15/571355615.db2.gz HIMCEPMQQGXSHH-TYZQSYOASA-N 0 0 362.351 3.888 50 30 FHEARN N#Cc1ccsc1NC(=O)CSc1nccn1Cc1ccccc1 ZINC000007984243 571358041 /nfs/dbraw/zinc/35/80/41/571358041.db2.gz VGZZFDAZEJBZED-UHFFFAOYSA-N 0 0 354.460 3.595 50 30 FHEARN CCN(Cc1ccc(OC)c(F)c1)[C@H](C)C(=O)Nc1ccccc1C#N ZINC000008130944 571359286 /nfs/dbraw/zinc/35/92/86/571359286.db2.gz LVWJNDVHAOMLEH-CQSZACIVSA-N 0 0 355.413 3.555 50 30 FHEARN C[C@@H]1CN(Cc2ccc(C(=O)Nc3cc(C4CC4)[nH]n3)cc2)C[C@H](C)O1 ZINC000328930907 942226559 /nfs/dbraw/zinc/22/65/59/942226559.db2.gz HQPAOENSHJDXNX-OKILXGFUSA-N 0 0 354.454 3.533 50 30 FHEARN C[C@H](NC(=O)N1CCN(c2cccc3[nH]ccc32)CC1)c1cccc(C#N)c1 ZINC000598998918 946576220 /nfs/dbraw/zinc/57/62/20/946576220.db2.gz MHHIZSOSYLWPQU-INIZCTEOSA-N 0 0 373.460 3.632 50 30 FHEARN C#CCCC1(CCC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)N=N1 ZINC000888096254 948423823 /nfs/dbraw/zinc/42/38/23/948423823.db2.gz PBQVTABXNLEALO-OAHLLOKOSA-N 0 0 358.873 3.638 50 30 FHEARN Cc1ccc(NC(=S)NN=C2C(=O)Nc3ccc([N+](=O)[O-])cc32)c(C)c1 ZINC000006566479 948566637 /nfs/dbraw/zinc/56/66/37/948566637.db2.gz RFAOXBLYGYNCKI-UHFFFAOYSA-N 0 0 369.406 3.504 50 30 FHEARN COc1ccc(OCc2nc(C#N)c(NCc3ccc(F)cc3)o2)cc1 ZINC000000730239 210268223 /nfs/dbraw/zinc/26/82/23/210268223.db2.gz UAGWJFYIDURWRQ-UHFFFAOYSA-N 0 0 353.353 3.885 50 30 FHEARN COc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OC ZINC000000755577 210267765 /nfs/dbraw/zinc/26/77/65/210267765.db2.gz LTKHZOZGVFQKIB-UHFFFAOYSA-N 0 0 354.402 3.832 50 30 FHEARN CCOC(=O)c1c(NC(C)=O)sc2c1CC[C@](C#N)(c1ccccc1)C2 ZINC000000751973 210267407 /nfs/dbraw/zinc/26/74/07/210267407.db2.gz HKLVYGDGAFHARS-FQEVSTJZSA-N 0 0 368.458 3.833 50 30 FHEARN N#Cc1cc2c(nc1SCC(=O)NCCc1ccccc1)CCCCC2 ZINC000000719848 210266022 /nfs/dbraw/zinc/26/60/22/210266022.db2.gz RTAUQPXZFDGBRY-UHFFFAOYSA-N 0 0 365.502 3.673 50 30 FHEARN CC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000000703545 210263156 /nfs/dbraw/zinc/26/31/56/210263156.db2.gz IMSWFBZTJOFICF-HXUWFJFHSA-N 0 0 360.417 3.735 50 30 FHEARN COc1ccc([N+](=O)[O-])cc1/N=C/c1cc(Br)ccc1O ZINC000000670225 210260079 /nfs/dbraw/zinc/26/00/79/210260079.db2.gz JDZGZZJACVSFLU-LZYBPNLTSA-N 0 0 351.156 3.822 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c[nH]c2ccccc21 ZINC000000628877 210253953 /nfs/dbraw/zinc/25/39/53/210253953.db2.gz HYISLMYYKFAVGX-IBGZPJMESA-N 0 0 364.445 3.945 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1 ZINC000000628442 210253182 /nfs/dbraw/zinc/25/31/82/210253182.db2.gz JIVDNMWILIQLHA-SFHVURJKSA-N 0 0 357.425 3.993 50 30 FHEARN Cc1cc(C)c(C#N)c(SCC(=O)c2cc3ccccc3oc2=O)n1 ZINC000000626907 210252607 /nfs/dbraw/zinc/25/26/07/210252607.db2.gz ZAFZDSFBJJYFSO-UHFFFAOYSA-N 0 0 350.399 3.652 50 30 FHEARN C[NH+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1Br)O2 ZINC000020518297 210237355 /nfs/dbraw/zinc/23/73/55/210237355.db2.gz DRURZKUHKFYNRJ-SXGWCWSVSA-N 0 0 374.234 3.833 50 30 FHEARN C=CCN1c2ccccc2[C@]2(NCCc3c4cc(Cl)ccc4[nH]c32)C1=O ZINC000020064225 210236490 /nfs/dbraw/zinc/23/64/90/210236490.db2.gz RBJBABBSMWIVDR-OAQYLSRUSA-N 0 0 363.848 3.743 50 30 FHEARN Cc1ccsc1/C=C1\Oc2cc(OC(=O)N3CCOCC3)ccc2C1=O ZINC000013769556 210232955 /nfs/dbraw/zinc/23/29/55/210232955.db2.gz HVIIVDXWQLGFCU-WJDWOHSUSA-N 0 0 371.414 3.504 50 30 FHEARN CCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1OC)C2=O ZINC000005825969 210232158 /nfs/dbraw/zinc/23/21/58/210232158.db2.gz YLJREKVMKFZOBY-NVMNQCDNSA-N 0 0 354.358 3.635 50 30 biogenic FHEARN N#Cc1cc(S(=O)(=O)c2cnc3c(F)cccc3c2Cl)ccc1F ZINC000232314112 210180083 /nfs/dbraw/zinc/18/00/83/210180083.db2.gz OHGTTYSTIPPVQG-UHFFFAOYSA-N 0 0 364.760 3.871 50 30 FHEARN N#Cc1ccc2ncc(S(=O)(=O)c3ccc(F)c(F)c3)c(Cl)c2c1 ZINC000232314144 210178960 /nfs/dbraw/zinc/17/89/60/210178960.db2.gz MHPFEXFILULDCO-UHFFFAOYSA-N 0 0 364.760 3.871 50 30 FHEARN C=C(C)Cn1cnc2c3cc4c(nc3sc2c1=O)C[C@](C)(CC)OC4 ZINC000032103254 210167668 /nfs/dbraw/zinc/16/76/68/210167668.db2.gz WWKHTFWKGHZHNA-IBGZPJMESA-N 0 0 355.463 3.824 50 30 FHEARN C=CCN1C(=O)c2ccccc2N[C@@H]1c1cc2c(cc1OC)C[C@H](C)O2 ZINC000018054448 210154869 /nfs/dbraw/zinc/15/48/69/210154869.db2.gz LRYIVOPPHVXKTP-RBZFPXEDSA-N 0 0 350.418 3.771 50 30 FHEARN C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(CC)cc1 ZINC000002502882 210151409 /nfs/dbraw/zinc/15/14/09/210151409.db2.gz UWFBHZJDAOVLJC-GOSISDBHSA-N 0 0 370.474 3.628 50 30 FHEARN C=CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@H]1c1ccc(C)cc1 ZINC000002463560 210151268 /nfs/dbraw/zinc/15/12/68/210151268.db2.gz ZJRDFCZNGYQAJZ-RDJZCZTQSA-N 0 0 370.474 3.763 50 30 FHEARN C=CCN1C(=O)/C(=C\c2cc(Br)ccc2OC)SC1=S ZINC000002302901 210151322 /nfs/dbraw/zinc/15/13/22/210151322.db2.gz QOKWIQSEDSAWGC-XYOKQWHBSA-N 0 0 370.293 3.845 50 30 FHEARN C=CCNC(=O)c1ccccc1NC(=O)[C@H](C)SCc1ccccc1 ZINC000002093913 210150891 /nfs/dbraw/zinc/15/08/91/210150891.db2.gz JVYGLSXMWQMVFI-HNNXBMFYSA-N 0 0 354.475 3.863 50 30 FHEARN C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cc(OC)ccc1OC)C2 ZINC000002469463 210150277 /nfs/dbraw/zinc/15/02/77/210150277.db2.gz XGFHXLZQGHYMDJ-CYBMUJFWSA-N 0 0 369.417 3.596 50 30 FHEARN C=CCc1cccc2cc(C(=O)Nc3ccc(OC)cc3OC)c(=O)oc21 ZINC000000783455 210149393 /nfs/dbraw/zinc/14/93/93/210149393.db2.gz ANSWVWYGMLPFQQ-UHFFFAOYSA-N 0 0 365.385 3.791 50 30 FHEARN O=C(NCc1ccc2c(c1)OCO2)c1ccc(C#Cc2ccccc2)cc1 ZINC000001221107 210148102 /nfs/dbraw/zinc/14/81/02/210148102.db2.gz FHBCRXINBBRNND-UHFFFAOYSA-N 0 0 355.393 3.745 50 30 biogenic FHEARN C=CCN(C(=O)c1ccc2c(c1)nc1n(c2=O)CCCC1)c1ccccc1 ZINC000015677501 210145838 /nfs/dbraw/zinc/14/58/38/210145838.db2.gz GLBDAKAGLZSRQQ-UHFFFAOYSA-N 0 0 359.429 3.566 50 30 FHEARN C=CCOc1ccc(/C=C/C(=O)OCC(=O)NC2CCCCCC2)cc1 ZINC000013104529 210141953 /nfs/dbraw/zinc/14/19/53/210141953.db2.gz ZRZLLZMKLLODSP-SDNWHVSQSA-N 0 0 357.450 3.647 50 30 FHEARN O=C(NCC#Cc1ccccc1)C1(c2ccc(Br)cc2)CC1 ZINC000012769169 210141978 /nfs/dbraw/zinc/14/19/78/210141978.db2.gz FQKAZFATPGNGNJ-UHFFFAOYSA-N 0 0 354.247 3.649 50 30 FHEARN Cc1ccccc1[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)cc2)CCS1 ZINC000219305720 222698280 /nfs/dbraw/zinc/69/82/80/222698280.db2.gz UMCUKUMRTJJRPN-IBGZPJMESA-N 0 0 372.515 3.736 50 30 FHEARN C=CCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(-c2cccc(OC)c2)cc1 ZINC000012477559 210140854 /nfs/dbraw/zinc/14/08/54/210140854.db2.gz BKUBASVYHFFKMH-FQEVSTJZSA-N 0 0 364.445 3.868 50 30 FHEARN C=CCCC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2-c1ccc(OC)cc1 ZINC000011767581 210140895 /nfs/dbraw/zinc/14/08/95/210140895.db2.gz BWSAJMIPUSODEU-GOSISDBHSA-N 0 0 353.466 3.977 50 30 FHEARN C=C(C)CNC(=O)Cc1c(C)n(Cc2ccccc2)c2c1C(=O)CCC2 ZINC000012441745 210140514 /nfs/dbraw/zinc/14/05/14/210140514.db2.gz PGHLTNBNZMITGY-UHFFFAOYSA-N 0 0 350.462 3.599 50 30 FHEARN C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)CCC ZINC000012390835 210140214 /nfs/dbraw/zinc/14/02/14/210140214.db2.gz IUQFCMURUYDVAH-UHFFFAOYSA-N 0 0 360.479 3.862 50 30 FHEARN C=CCn1c(SC[C@@H](O)c2ccccc2)nnc1-c1ccc(OC)cc1 ZINC000011811326 210139398 /nfs/dbraw/zinc/13/93/98/210139398.db2.gz PFDHDMUJESIOPV-GOSISDBHSA-N 0 0 367.474 3.965 50 30 FHEARN C=CCn1c(SCc2cn3cccc(C)c3n2)nc2sccc2c1=O ZINC000009157069 210137119 /nfs/dbraw/zinc/13/71/19/210137119.db2.gz HPEONCDSQWWMMH-UHFFFAOYSA-N 0 0 368.487 3.892 50 30 FHEARN C=CCNC(=O)[C@H](C)Sc1nc2ccccc2n1-c1ccc(OC)cc1 ZINC000007065431 210107391 /nfs/dbraw/zinc/10/73/91/210107391.db2.gz JEPJBUPXKPLGTM-AWEZNQCLSA-N 0 0 367.474 3.817 50 30 FHEARN CCOC(=O)C=C(Nc1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1 ZINC000005947843 210108543 /nfs/dbraw/zinc/10/85/43/210108543.db2.gz DAZOOXOQGJRQSB-UHFFFAOYSA-N 0 0 372.337 3.598 50 30 FHEARN C=CCn1c(SCc2cn3cccc(C)c3n2)nnc1-c1ccncc1 ZINC000006105725 210108158 /nfs/dbraw/zinc/10/81/58/210108158.db2.gz KYHQXNTUOYKDJC-UHFFFAOYSA-N 0 0 362.462 3.775 50 30 FHEARN C#CCOC(=O)[C@@H](OCC#C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000005613728 210106051 /nfs/dbraw/zinc/10/60/51/210106051.db2.gz DCSNZONGHFZPCA-IBGZPJMESA-N 0 0 356.462 3.855 50 30 FHEARN C=C(C)COc1cc(OCC(=C)C)c2c(C)c(CC(=O)OC)c(=O)oc2c1 ZINC000005547250 210105602 /nfs/dbraw/zinc/10/56/02/210105602.db2.gz FIVDYUHQVIRTJS-UHFFFAOYSA-N 0 0 372.417 3.727 50 30 FHEARN C#CCOc1c(Cl)cc(/C=C2\N=C(c3cccs3)OC2=O)cc1OC ZINC000008179565 210101812 /nfs/dbraw/zinc/10/18/12/210101812.db2.gz RCUHTLPBDCZHCP-LCYFTJDESA-N 0 0 373.817 3.767 50 30 FHEARN Cc1ccc2[nH]c(=O)cc(C(=O)N(CC#Cc3ccccc3)CC(C)C)c2c1 ZINC000055153722 210068430 /nfs/dbraw/zinc/06/84/30/210068430.db2.gz CYMFVPPBBSSIND-UHFFFAOYSA-N 0 0 372.468 3.986 50 30 FHEARN C=CCN(C)C(=O)c1csc(NC(=O)c2ccc(Cl)c(Cl)c2)n1 ZINC000040355535 210045189 /nfs/dbraw/zinc/04/51/89/210045189.db2.gz NVNGELMBDUOXPS-UHFFFAOYSA-N 0 0 370.261 3.960 50 30 FHEARN C=C(C)Cn1nc(SC)n2c1nc1sc3c(c1c2=O)CCCCC3 ZINC000040267082 210044085 /nfs/dbraw/zinc/04/40/85/210044085.db2.gz KVNZHZCPWNUOLN-UHFFFAOYSA-N 0 0 360.508 3.673 50 30 FHEARN COC1=C(Nc2ccc(Br)cc2)C(=O)c2ccccc2C1=O ZINC000001287626 219393586 /nfs/dbraw/zinc/39/35/86/219393586.db2.gz IRJDJJXGFBARDN-UHFFFAOYSA-N 0 0 358.191 3.798 50 30 FHEARN COc1ccc(C(=O)/C=C/N2CCc3cc(O)c(OC)cc3[C@H]2C)cc1 ZINC000002110399 219427161 /nfs/dbraw/zinc/42/71/61/219427161.db2.gz CLJHHIMFBPOUKU-CFRMROPGSA-N 0 0 353.418 3.725 50 30 biogenic FHEARN Cc1ccc(C)c(S(=O)(=O)/N=C2\C=C(Cl)C(=O)c3ccccc32)c1 ZINC000004279895 219561530 /nfs/dbraw/zinc/56/15/30/219561530.db2.gz ALDNWLFTBSXGFF-CAPFRKAQSA-N 0 0 359.834 3.800 50 30 FHEARN CSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436278 219575452 /nfs/dbraw/zinc/57/54/52/219575452.db2.gz ANBUWIJDJADGSB-INIZCTEOSA-N 0 0 354.479 3.967 50 30 FHEARN CCS(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000005241777 219664486 /nfs/dbraw/zinc/66/44/86/219664486.db2.gz CUGWXCXXMQSXHX-UHFFFAOYSA-N 0 0 374.487 3.544 50 30 FHEARN Cc1ccc([C@@H](NS(=O)(=O)c2cccc(C#N)c2)c2cccs2)cc1 ZINC000007702493 219817117 /nfs/dbraw/zinc/81/71/17/219817117.db2.gz ZCWOENPIRWBCTI-LJQANCHMSA-N 0 0 368.483 3.996 50 30 FHEARN CCOc1cccc2s/c(=N/C(=O)c3ccc(C#N)cc3)n(CC)c21 ZINC000012378116 219987152 /nfs/dbraw/zinc/98/71/52/219987152.db2.gz SFLWHJSGAKJJOD-XUTLUUPISA-N 0 0 351.431 3.734 50 30 FHEARN COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2C#N)c(OC)c1 ZINC000012807431 220032445 /nfs/dbraw/zinc/03/24/45/220032445.db2.gz OCNGQZJHYGJTME-JTPHSUOKSA-N 0 0 362.429 3.952 50 30 FHEARN N#Cc1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1 ZINC000012824207 220035093 /nfs/dbraw/zinc/03/50/93/220035093.db2.gz CYXACTCHHXLXML-INIZCTEOSA-N 0 0 365.389 3.969 50 30 FHEARN Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cn2ccccc2n1 ZINC000049723815 211894275 /nfs/dbraw/zinc/89/42/75/211894275.db2.gz QXCAEDZUMHJEIH-UHFFFAOYSA-N 0 0 369.384 3.954 50 30 FHEARN Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(O)cc1)[C@H](C#N)C(=N)O2 ZINC000013766009 220093291 /nfs/dbraw/zinc/09/32/91/220093291.db2.gz JKNAEKWEAVBGFU-PKOBYXMFSA-N 0 0 358.401 3.587 50 30 FHEARN Cc1ccn2c(=O)cc(CON=C3c4ccccc4-c4ccccc43)nc2c1 ZINC000014354334 220123720 /nfs/dbraw/zinc/12/37/20/220123720.db2.gz IOKIKSFBLREXHP-UHFFFAOYSA-N 0 0 367.408 3.953 50 30 FHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCc1c[nH]c2ccccc12 ZINC000017296059 220211496 /nfs/dbraw/zinc/21/14/96/220211496.db2.gz DPXZRYKGRAXDGB-UHFFFAOYSA-N 0 0 358.401 3.704 50 30 FHEARN COc1cccc(NC(=O)COc2nc(C(C)C)c3c(c2C#N)CCC3)c1 ZINC000032106427 211545129 /nfs/dbraw/zinc/54/51/29/211545129.db2.gz GFHJZDSEDRVTGU-UHFFFAOYSA-N 0 0 365.433 3.591 50 30 FHEARN N#Cc1ccccc1COC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000031318064 211530423 /nfs/dbraw/zinc/53/04/23/211530423.db2.gz SZUUTLLMWLKZGS-UHFFFAOYSA-N 0 0 363.413 3.885 50 30 FHEARN C=CCNC(=O)Nc1ccc(Cc2ccc(NC(=O)NCC=C)cc2)cc1 ZINC000003086111 211473327 /nfs/dbraw/zinc/47/33/27/211473327.db2.gz IVVXDHZMWFWYIF-UHFFFAOYSA-N 0 0 364.449 3.892 50 30 FHEARN COc1ccc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)c(OC)c1 ZINC000027229305 211462480 /nfs/dbraw/zinc/46/24/80/211462480.db2.gz DVIJAEMYFCVTIX-LICLKQGHSA-N 0 0 354.431 3.904 50 30 FHEARN N#Cc1ccc(CN2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1 ZINC000023994877 211398484 /nfs/dbraw/zinc/39/84/84/211398484.db2.gz VXDPERHDQAVONE-UHFFFAOYSA-N 0 0 354.841 3.561 50 30 FHEARN C[C@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)N(CCC#N)c1ccccc1 ZINC000023550374 211391574 /nfs/dbraw/zinc/39/15/74/211391574.db2.gz YIQKSGGIEPTXCU-HNNXBMFYSA-N 0 0 361.401 3.660 50 30 FHEARN CSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1C(=O)C[C@H](C)CC1=N2 ZINC000022608289 211357576 /nfs/dbraw/zinc/35/75/76/211357576.db2.gz FULOESUDTYECLY-RFAUZJTJSA-N 0 0 360.870 3.921 50 30 FHEARN O=C1N/C(=N\C2CCCC2)S/C1=C\c1ccccc1Br ZINC000020987451 211301431 /nfs/dbraw/zinc/30/14/31/211301431.db2.gz LOBDNWNRRWZLCZ-LCYFTJDESA-N 0 0 351.269 3.952 50 30 FHEARN COc1ccc(NC(=O)c2ccc(NC(=O)C3(C#N)CCCC3)cc2)cc1 ZINC000020962432 211300856 /nfs/dbraw/zinc/30/08/56/211300856.db2.gz KBFGTPKJCBEUNC-UHFFFAOYSA-N 0 0 363.417 3.970 50 30 FHEARN CN1CCc2c(C#N)c(SCc3ccccc3)nc(N3CCCC3)c2C1 ZINC000020649711 211291923 /nfs/dbraw/zinc/29/19/23/211291923.db2.gz SKQLFVJTMFGRDS-UHFFFAOYSA-N 0 0 364.518 3.834 50 30 FHEARN Cc1nn(-c2ccc(C)cc2)c2nc(N)c(C#N)c(-c3ccc(O)c(O)c3)c12 ZINC000020533504 211285487 /nfs/dbraw/zinc/28/54/87/211285487.db2.gz ZZLQDOITJMKLDB-UHFFFAOYSA-N 0 0 371.400 3.569 50 30 FHEARN CC1=C(C(=O)N2CCCCC2)[C@H](c2ccccc2F)C2=C(CCCC2=O)N1 ZINC000020028899 211264604 /nfs/dbraw/zinc/26/46/04/211264604.db2.gz JLDALSCATHGLCF-FQEVSTJZSA-N 0 0 368.452 3.806 50 30 FHEARN COC(=O)C1=C(C)NC(=Cc2cc(C)n(-c3cc(C)ccc3C)c2C)C1=O ZINC000019792705 211255644 /nfs/dbraw/zinc/25/56/44/211255644.db2.gz SZYKGDPQCXECFF-WQRHYEAKSA-N 0 0 364.445 3.671 50 30 FHEARN Fc1cccc(C=NN2C(=S)N=NC2c2cc(-c3ccccc3)n[nH]2)c1 ZINC000018210296 211196581 /nfs/dbraw/zinc/19/65/81/211196581.db2.gz XMDOATOHFXBAIL-RGVLZGJSSA-N 0 0 364.409 3.645 50 30 FHEARN CCO/C(=N/S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000018153890 211191559 /nfs/dbraw/zinc/19/15/59/211191559.db2.gz SDFAJVSJVAGLST-BMRADRMJSA-N 0 0 368.252 3.621 50 30 FHEARN COc1cccc(NC(=S)N/N=C2\CC(C)(C)Oc3ccc(O)cc32)c1 ZINC000018118046 211191272 /nfs/dbraw/zinc/19/12/72/211191272.db2.gz ZNIKCXKYWGYYMM-LTGZKZEYSA-N 0 0 371.462 3.653 50 30 FHEARN CC/N=C1\S[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC(=O)N1CC ZINC000018067169 211190359 /nfs/dbraw/zinc/19/03/59/211190359.db2.gz YVNCHMOXNVRRMX-LOPKLFAVSA-N 0 0 374.293 3.662 50 30 FHEARN CCOc1ccc(/C=C/c2nc(C#N)c(N3C[C@@H](C)O[C@@H](C)C3)o2)cc1 ZINC000017777711 211186738 /nfs/dbraw/zinc/18/67/38/211186738.db2.gz SMAADTHPXFACRX-ONWOKCAKSA-N 0 0 353.422 3.729 50 30 FHEARN Cc1ccc(-c2nc3n(c2CNC(=O)c2ccc(C#N)cc2)CCS3)cc1 ZINC000017051239 211174765 /nfs/dbraw/zinc/17/47/65/211174765.db2.gz LCTJAIRDUQLEQD-UHFFFAOYSA-N 0 0 374.469 3.766 50 30 FHEARN CCCOc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1OCCC ZINC000016096008 211155295 /nfs/dbraw/zinc/15/52/95/211155295.db2.gz IXCQQODKGKEQQW-UHFFFAOYSA-N 0 0 374.462 3.937 50 30 FHEARN N#Cc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 ZINC000015883101 211149112 /nfs/dbraw/zinc/14/91/12/211149112.db2.gz VGMBDHQXALHGNJ-UHFFFAOYSA-N 0 0 363.804 3.674 50 30 FHEARN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)c(C)n1-c1ccc(F)cc1 ZINC000015723447 211137196 /nfs/dbraw/zinc/13/71/96/211137196.db2.gz CADOOAURUAPDMR-UFFVCSGVSA-N 0 0 353.357 3.982 50 30 FHEARN CCOc1ccc(C(=O)/C=C/c2cc(OC)c3c(c2OC)OCO3)cc1 ZINC000015108106 211123318 /nfs/dbraw/zinc/12/33/18/211123318.db2.gz BOLTUAVIIQAYPV-JXMROGBWSA-N 0 0 356.374 3.727 50 30 FHEARN CC1(C)Cc2c(C#N)c(Nc3ccc(Cl)cc3)n3cnnc3c2CO1 ZINC000015106153 211121835 /nfs/dbraw/zinc/12/18/35/211121835.db2.gz WNTVDTFNKSGJRK-UHFFFAOYSA-N 0 0 353.813 3.849 50 30 FHEARN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000014141294 211079348 /nfs/dbraw/zinc/07/93/48/211079348.db2.gz LMDDOKMTCNFXFR-GOSISDBHSA-N 0 0 357.816 3.502 50 30 FHEARN C[C@H](Sc1nnc(CCC2CCCC2)[nH]1)C(=O)Nc1ccccc1C#N ZINC000014076272 211068919 /nfs/dbraw/zinc/06/89/19/211068919.db2.gz JBYNRUSPPYHGAM-ZDUSSCGKSA-N 0 0 369.494 3.918 50 30 FHEARN C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(O)cc3)NC2=O)cc1 ZINC000013786616 211060455 /nfs/dbraw/zinc/06/04/55/211060455.db2.gz URJCKYVEGGJHFR-ATVHPVEESA-N 0 0 352.415 3.849 50 30 FHEARN COc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000013730214 211053883 /nfs/dbraw/zinc/05/38/83/211053883.db2.gz VAEBJCXHBDOHKI-KRWDZBQOSA-N 0 0 354.406 3.898 50 30 FHEARN COc1ccc(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)cc1 ZINC000013689231 211050146 /nfs/dbraw/zinc/05/01/46/211050146.db2.gz LRWLGAUIQGMOPT-UHFFFAOYSA-N 0 0 363.417 3.808 50 30 FHEARN CC(=O)Nc1ccc(/N=C2\C(=O)Nc3cc(Br)c(C)cc32)cc1 ZINC000013477618 211035447 /nfs/dbraw/zinc/03/54/47/211035447.db2.gz JUJWGPUOMJPSLI-UHFFFAOYSA-N 0 0 372.222 3.789 50 30 FHEARN CCN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N\c1cccc(F)c1 ZINC000013424074 211033025 /nfs/dbraw/zinc/03/30/25/211033025.db2.gz FLAGIZNIHPOYMH-BWORXHKJSA-N 0 0 371.437 3.806 50 30 FHEARN COc1cc(/C=C2\Sc3ccccc3C2=O)cc(OC)c1OC(C)=O ZINC000013424354 211032481 /nfs/dbraw/zinc/03/24/81/211032481.db2.gz SHAJNCLHIWNGOR-YVLHZVERSA-N 0 0 356.399 3.959 50 30 FHEARN N#Cc1ccc(NC(=O)c2csc(COc3ccc(F)cc3)n2)cc1 ZINC000013005525 211018870 /nfs/dbraw/zinc/01/88/70/211018870.db2.gz NAEGOULPJRXCFK-UHFFFAOYSA-N 0 0 353.378 3.985 50 30 FHEARN COc1ccccc1NC(=O)[C@@H](C)Sc1nc(C2CC2)nc(C)c1C#N ZINC000012919345 211006729 /nfs/dbraw/zinc/00/67/29/211006729.db2.gz NOHRNZDQIMWNAS-GFCCVEGCSA-N 0 0 368.462 3.662 50 30 FHEARN Cc1cccc(-n2nnnc2SCc2cn3ccccc3c2C#N)c1C ZINC000012978642 211014287 /nfs/dbraw/zinc/01/42/87/211014287.db2.gz ZKFGLDFEBARYAU-UHFFFAOYSA-N 0 0 360.446 3.696 50 30 FHEARN CN(C)/C=N\c1nc2nccc(-c3ccc(Oc4ccccc4)cc3)n2n1 ZINC000012861480 211000739 /nfs/dbraw/zinc/00/07/39/211000739.db2.gz NVCFKEZLSGGKHR-HMAPJEAMSA-N 0 0 358.405 3.805 50 30 FHEARN N#Cc1cccc(S(=O)(=O)N[C@@H]2CCSc3ccc(Cl)cc32)c1 ZINC000012901995 211005970 /nfs/dbraw/zinc/00/59/70/211005970.db2.gz DGTAGJUBVMXECF-OAHLLOKOSA-N 0 0 364.879 3.727 50 30 FHEARN N#Cc1ccc(-c2csc(NC(=O)[C@@H]3COc4ccccc4C3)n2)cc1 ZINC000012813907 210996357 /nfs/dbraw/zinc/99/63/57/210996357.db2.gz ODIQLCGRHCSYJQ-INIZCTEOSA-N 0 0 361.426 3.872 50 30 FHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000012615518 210977566 /nfs/dbraw/zinc/97/75/66/210977566.db2.gz KYEALTQSYSPVJA-OAHLLOKOSA-N 0 0 350.393 3.781 50 30 FHEARN N#Cc1ccc(COC(=O)c2ccc(OCc3cscn3)cc2)cc1 ZINC000009165410 210819723 /nfs/dbraw/zinc/81/97/23/210819723.db2.gz QOZOFTULVSBTCP-UHFFFAOYSA-N 0 0 350.399 3.951 50 30 FHEARN Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4CCOCC4)o3)o2)c1 ZINC000008844537 210805204 /nfs/dbraw/zinc/80/52/04/210805204.db2.gz LWQNFEMDNQXVQG-UHFFFAOYSA-N 0 0 365.389 3.530 50 30 FHEARN C=CCNC(=S)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000005613126 210631254 /nfs/dbraw/zinc/63/12/54/210631254.db2.gz HXSBIPIJHJHQJE-HYARGMPZSA-N 0 0 361.474 3.523 50 30 FHEARN O=[N+]([O-])c1ccc(NN=Cc2ccc(Br)c([N+](=O)[O-])c2)cc1 ZINC000005513575 210625454 /nfs/dbraw/zinc/62/54/54/210625454.db2.gz JUSPNVJHRCQEAX-OVCLIPMQSA-N 0 0 365.143 3.712 50 30 FHEARN Cc1nc(S[C@@H](C)C(=O)N2CCc3ccccc32)c(C#N)c(C)c1C ZINC000005172514 210604812 /nfs/dbraw/zinc/60/48/12/210604812.db2.gz LTEYOGAKMTZFOL-HNNXBMFYSA-N 0 0 351.475 3.948 50 30 FHEARN Cc1ccc(Cl)cc1N1CC(=O)C(c2nc3ccccc3s2)=C1N ZINC000005009229 210590554 /nfs/dbraw/zinc/59/05/54/210590554.db2.gz NMEOZQFNXYMWLO-UHFFFAOYSA-N 0 0 355.850 3.975 50 30 FHEARN COc1ccc(Br)c2c1/C(=N/OC(=O)c1ccco1)CC2 ZINC000004700672 210553265 /nfs/dbraw/zinc/55/32/65/210553265.db2.gz MGGHXTBZVNLPAF-GZTJUZNOSA-N 0 0 350.168 3.558 50 30 FHEARN Cc1nn(C)c(C)c1/C=C/C(=O)c1ccc(I)cc1 ZINC000004652016 210547573 /nfs/dbraw/zinc/54/75/73/210547573.db2.gz WVPHGZGIMDCTOO-CMDGGOBGSA-N 0 0 366.202 3.538 50 30 FHEARN CCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(C)nn32)cc1 ZINC000004520762 210536157 /nfs/dbraw/zinc/53/61/57/210536157.db2.gz KUKLKNUDPZMSNB-SFHVURJKSA-N 0 0 352.438 3.643 50 30 FHEARN CCOc1cccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000003899604 210498939 /nfs/dbraw/zinc/49/89/39/210498939.db2.gz BZTUWLBJGYVUKO-LJQANCHMSA-N 0 0 369.461 3.862 50 30 FHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC ZINC000002801443 210425401 /nfs/dbraw/zinc/42/54/01/210425401.db2.gz ACMKZIKGKBAYMZ-LJQANCHMSA-N 0 0 355.434 3.616 50 30 FHEARN CCC(=O)NC1=NN2C(=NC(c3ccccc3)=C[C@@H]2c2ccc(F)cc2)N1 ZINC000002257613 210387261 /nfs/dbraw/zinc/38/72/61/210387261.db2.gz QGQLJVJCWYLQET-QGZVFWFLSA-N 0 0 363.396 3.820 50 30 FHEARN O=C(C=Cc1ccccc1)C[C@@]1(O)C(=O)Nc2cc(Cl)cc(Cl)c21 ZINC000002412581 210396788 /nfs/dbraw/zinc/39/67/88/210396788.db2.gz GHXRGSAUNOTDED-DKFQHHCZSA-N 0 0 362.212 3.806 50 30 FHEARN Cc1c(/N=C\C=C\c2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000001953785 210375637 /nfs/dbraw/zinc/37/56/37/210375637.db2.gz CWYGVHPTUWPSGR-ZOYVTTDVSA-N 0 0 362.389 3.808 50 30 FHEARN COc1ccc(OC)c(-c2cc(-c3ccccc3OC)c(C#N)c(N)n2)c1 ZINC000019804652 220298231 /nfs/dbraw/zinc/29/82/31/220298231.db2.gz NIQXMCJOKGWWKV-UHFFFAOYSA-N 0 0 361.401 3.895 50 30 FHEARN CCOc1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)c1O ZINC000001473740 210356138 /nfs/dbraw/zinc/35/61/38/210356138.db2.gz XWQDBQLKQGCJJV-VXLYETTFSA-N 0 0 374.853 3.874 50 30 FHEARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000001421888 210352186 /nfs/dbraw/zinc/35/21/86/210352186.db2.gz ZKIDLZUXOXQDTH-HNNXBMFYSA-N 0 0 362.355 3.955 50 30 FHEARN CSc1ccc([C@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001427976 210352158 /nfs/dbraw/zinc/35/21/58/210352158.db2.gz BGACWAYXQVWCTC-OAHLLOKOSA-N 0 0 358.507 3.844 50 30 FHEARN CN(C)N1C(=O)C[C@@H](c2ccc(C(F)(F)F)cc2)C2=C1CCCC2=O ZINC000001422735 210351701 /nfs/dbraw/zinc/35/17/01/210351701.db2.gz HMMCWTZFPXAWLO-ZDUSSCGKSA-N 0 0 352.356 3.505 50 30 FHEARN CC(=O)O/N=C1/c2cc(Cl)ccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000001397233 210348210 /nfs/dbraw/zinc/34/82/10/210348210.db2.gz NZUDJYXIEXZSKT-SILNSSARSA-N 0 0 363.200 3.807 50 30 FHEARN C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2c(ccc([O-])c2C[NH+](C)C)C1=O ZINC000020612415 220336555 /nfs/dbraw/zinc/33/65/55/220336555.db2.gz FKXAMXHPWXNDIH-GHOUAXAESA-N 0 0 363.413 3.777 50 30 FHEARN O=C(C=Cc1ccco1)C[C@]1(O)C(=O)Nc2ccc(Br)cc21 ZINC000001255514 210339647 /nfs/dbraw/zinc/33/96/47/210339647.db2.gz ZUEDAGBPQYPQOZ-DWTRPJMMSA-N 0 0 362.179 3.504 50 30 FHEARN O=C1c2ccccc2/C(=N/S(=O)(=O)c2ccc(Cl)cc2)C=C1Cl ZINC000001234493 210337960 /nfs/dbraw/zinc/33/79/60/210337960.db2.gz LXVBTGUJNQBBFO-XDJHFCHBSA-N 0 0 366.225 3.837 50 30 FHEARN Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(C#N)cc4F)cc3n2)cc1 ZINC000001171719 210328826 /nfs/dbraw/zinc/32/88/26/210328826.db2.gz OVCOSEFDKFJBDA-UHFFFAOYSA-N 0 0 371.375 3.992 50 30 FHEARN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S(C)(=O)=O)n2)cc1 ZINC000001141624 210324254 /nfs/dbraw/zinc/32/42/54/210324254.db2.gz JZJVKNNCAUWHIL-UHFFFAOYSA-N 0 0 364.426 3.699 50 30 FHEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(O)cc2)C1=O ZINC000001212603 210335830 /nfs/dbraw/zinc/33/58/30/210335830.db2.gz ITARRCLTLIMJBH-FOWTUZBSSA-N 0 0 367.426 3.936 50 30 FHEARN COc1ccc(/C=N/N2CCOCC2)cc1COc1ccc(Cl)cc1 ZINC000001205967 210335601 /nfs/dbraw/zinc/33/56/01/210335601.db2.gz HXFBAUIAPYECJG-FYJGNVAPSA-N 0 0 360.841 3.594 50 30 FHEARN CCOc1cc(/C=N/n2cnnc2)ccc1OCc1ccccc1Cl ZINC000001190685 210332860 /nfs/dbraw/zinc/33/28/60/210332860.db2.gz KMTQGYINHWEEBR-LSHDLFTRSA-N 0 0 356.813 3.791 50 30 FHEARN CCc1c(C)sc(NC(=O)Cn2nc(C(F)(F)F)cc2C)c1C#N ZINC000001049546 210310293 /nfs/dbraw/zinc/31/02/93/210310293.db2.gz OFQRXHXZAWVLFV-UHFFFAOYSA-N 0 0 356.373 3.653 50 30 FHEARN O=C(/C=C1/C(=O)Nc2ccc(Br)cc21)c1cccc([N+](=O)[O-])c1 ZINC000001045424 210307637 /nfs/dbraw/zinc/30/76/37/210307637.db2.gz KZLIVJYEGVRXJO-MDWZMJQESA-N 0 0 373.162 3.576 50 30 FHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)Cc3ccc4c(c3)OCO4)sc2C1 ZINC000009521377 210286170 /nfs/dbraw/zinc/28/61/70/210286170.db2.gz DMCPPOXPHGZSES-LLVKDONJSA-N 0 0 354.431 3.654 50 30 FHEARN CCCC(=O)C1=C(Nc2ccccc2C)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000000805837 210273790 /nfs/dbraw/zinc/27/37/90/210273790.db2.gz MBEZIZKGGBBAJC-SFHVURJKSA-N 0 0 357.450 3.818 50 30 FHEARN Cc1cc(-c2ccc(S(=O)(=O)Nc3cccc(C#N)c3)c(C)c2)on1 ZINC000064979671 221160826 /nfs/dbraw/zinc/16/08/26/221160826.db2.gz MJXNUIWUWQNTSR-UHFFFAOYSA-N 0 0 353.403 3.631 50 30 FHEARN Cn1nc(C2CC2)c2c1NC(=O)C[C@@H]2c1ccc(-c2ccccc2C#N)o1 ZINC000065371681 221204333 /nfs/dbraw/zinc/20/43/33/221204333.db2.gz LYJOPLHUTMPJSS-OAHLLOKOSA-N 0 0 358.401 3.903 50 30 FHEARN CC(C)OC(=O)N[C@H]1Cc2c3cc(C#N)ccc3n(Cc3ccccn3)c2C1 ZINC000067802526 221287670 /nfs/dbraw/zinc/28/76/70/221287670.db2.gz IHIWYQYVBNODSV-KRWDZBQOSA-N 0 0 374.444 3.558 50 30 in-man FHEARN Cc1nc(N)sc1-c1cc(-c2cccc(OC(F)F)c2)c(C#N)c(N)n1 ZINC000071416190 221346882 /nfs/dbraw/zinc/34/68/82/221346882.db2.gz ABGQBRXNOVBMCW-UHFFFAOYSA-N 0 0 373.388 3.818 50 30 FHEARN N#Cc1cccc(-c2nccn2[C@@H](CCn2cncn2)c2ccccc2)c1 ZINC000071749872 221360648 /nfs/dbraw/zinc/36/06/48/221360648.db2.gz GEUFQCDQPMIETP-FQEVSTJZSA-N 0 0 354.417 3.693 50 30 FHEARN C[NH+](C)Cc1cc(-c2cc(-c3ccsc3)nc(N)c2C#N)ccc1[O-] ZINC000071752692 221363069 /nfs/dbraw/zinc/36/30/69/221363069.db2.gz MLVZAWRDZOKAOX-UHFFFAOYSA-N 0 0 350.447 3.698 50 30 FHEARN CCc1nn(C)c(Cl)c1-c1cc(-c2scnc2C)nc(N)c1C#N ZINC000071760289 221366116 /nfs/dbraw/zinc/36/61/16/221366116.db2.gz NTMRPZVKQPBEND-UHFFFAOYSA-N 0 0 358.858 3.584 50 30 FHEARN Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc([C@H]2CCCCO2)o1 ZINC000071765633 221372494 /nfs/dbraw/zinc/37/24/94/221372494.db2.gz BKVWQYHDUGXRIN-OAHLLOKOSA-N 0 0 363.421 3.746 50 30 FHEARN CCn1nc(C)c(-c2cc(-c3ccc(NC(C)=O)cc3)c(C#N)c(N)n2)c1C ZINC000071765497 221372837 /nfs/dbraw/zinc/37/28/37/221372837.db2.gz UTRCORQQZAOZHC-UHFFFAOYSA-N 0 0 374.448 3.661 50 30 FHEARN C/C(=N\N1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000005605497 533416109 /nfs/dbraw/zinc/41/61/09/533416109.db2.gz FXYHXEXLGWXHTD-HMMYKYKNSA-N 0 0 358.283 3.995 50 30 FHEARN C[C@H](Nc1cccc(F)c1C#N)c1cc(F)ccc1N1CCC(O)CC1 ZINC000078559892 132190704 /nfs/dbraw/zinc/19/07/04/132190704.db2.gz FGLLOMBCTXZAKC-ZDUSSCGKSA-N 0 0 357.404 3.971 50 30 FHEARN Cc1cc(C)c(C#N)c(N2CCC[C@H](c3nccn3Cc3ccncc3)C2)n1 ZINC000095520053 132214081 /nfs/dbraw/zinc/21/40/81/132214081.db2.gz ZIRDDRLQNUMUJS-IBGZPJMESA-N 0 0 372.476 3.594 50 30 FHEARN C=CCN1CC2(CCC1=O)CCN(c1cc(C(F)(F)F)cc(C)n1)CC2 ZINC000091849340 132303947 /nfs/dbraw/zinc/30/39/47/132303947.db2.gz YWQDJLVXNKYFNH-UHFFFAOYSA-N 0 0 367.415 3.804 50 30 FHEARN C(=NN=c1cc(N2CCCCC2)[nH]c(N2CCCCC2)n1)c1ccccc1 ZINC000004551769 132823617 /nfs/dbraw/zinc/82/36/17/132823617.db2.gz MUSSEZOMLNLIJA-OQKWZONESA-N 0 0 364.497 3.903 50 30 FHEARN N#Cc1ccc(N2CCC3(C[C@H]3c3nnc(-c4ccccc4)o3)CC2)nc1 ZINC000071889484 136141408 /nfs/dbraw/zinc/14/14/08/136141408.db2.gz UOBBBXCVKVZZTK-KRWDZBQOSA-N 0 0 357.417 3.777 50 30 FHEARN CCOc1ccccc1NC(=O)/C=C\c1ccc(OCC#N)c(OC)c1 ZINC000096536744 222123522 /nfs/dbraw/zinc/12/35/22/222123522.db2.gz WNEWTFRFOZFMOM-LUAWRHEFSA-N 0 0 352.390 3.648 50 30 FHEARN N#Cc1ccc(/C=C\c2cn3cc(I)ccc3n2)cc1 ZINC000097475281 222183475 /nfs/dbraw/zinc/18/34/75/222183475.db2.gz OVBPIADAGIYKKM-ALCCZGGFSA-N 0 0 371.181 3.981 50 30 FHEARN C[C@@H](OC(=O)/C=C\c1cccc2cccnc12)C(=O)Nc1cccc(C#N)c1 ZINC000098003336 222219889 /nfs/dbraw/zinc/21/98/89/222219889.db2.gz ZXTMKWRNXIWIIA-JQPIKURYSA-N 0 0 371.396 3.690 50 30 FHEARN C[S@](=O)(=NC(=O)c1cncc(C#Cc2ccccc2)c1)c1ccccc1 ZINC000100214782 222239497 /nfs/dbraw/zinc/23/94/97/222239497.db2.gz XRDLIWOJXHQZSS-AREMUKBSSA-N 0 0 360.438 3.779 50 30 FHEARN CNC(C)=C(C(=O)OC)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000100377549 222242881 /nfs/dbraw/zinc/24/28/81/222242881.db2.gz UPFSSMUESFWIEQ-XFFZJAGNSA-N 0 0 369.261 3.573 50 30 FHEARN CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000100494429 222245585 /nfs/dbraw/zinc/24/55/85/222245585.db2.gz MAAUCDGBNAAPNZ-SFHVURJKSA-N 0 0 360.454 3.837 50 30 FHEARN Cc1ccc(S(=O)(=O)/N=C2\C=C(Cl)C(=O)C(Cl)=C2Cl)cc1 ZINC000100529109 222246270 /nfs/dbraw/zinc/24/62/70/222246270.db2.gz XRYRPMVIHDWJCQ-LICLKQGHSA-N 0 0 364.637 3.519 50 30 FHEARN COC(=O)c1ccc(/N=C/c2cc(Br)ccc2O)c(F)c1 ZINC000100542757 222247177 /nfs/dbraw/zinc/24/71/77/222247177.db2.gz MVKPGHGMXQHCQC-QGMBQPNBSA-N 0 0 352.159 3.831 50 30 FHEARN COc1ccc(NC(C)=O)c(/N=C/c2cc(Br)ccc2O)c1 ZINC000103751976 222342839 /nfs/dbraw/zinc/34/28/39/222342839.db2.gz MTJZPTXRXMGQHW-GIJQJNRQSA-N 0 0 363.211 3.872 50 30 FHEARN CC1=CC(=O)C(=C2C[C@@H](c3ccc(O)cc3)Nc3ccccc3N2)C(=O)O1 ZINC000102443879 222297292 /nfs/dbraw/zinc/29/72/92/222297292.db2.gz NQSSHIXMXVWCBI-DMEQXSTQSA-N 0 0 362.385 3.645 50 30 FHEARN Nc1c(-c2nc3ccccc3s2)c(O)cn1N=Cc1ccc(O)cc1 ZINC000102729436 222307146 /nfs/dbraw/zinc/30/71/46/222307146.db2.gz LYLQIGGTDNMMJV-RICWVNQTSA-N 0 0 350.403 3.598 50 30 FHEARN Cc1ccc(/N=C/c2c(=O)n3cccc(C)c3nc2N2CCCC2)cc1C ZINC000102944114 222315218 /nfs/dbraw/zinc/31/52/18/222315218.db2.gz KFYTYQQTFWAJCW-OEAKJJBVSA-N 0 0 360.461 3.971 50 30 FHEARN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000104126583 222350515 /nfs/dbraw/zinc/35/05/15/222350515.db2.gz NFQOZZXITLZMLG-LFVOPCPISA-N 0 0 374.371 3.847 50 30 FHEARN CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2ccco2)C1=O ZINC000000672623 263141294 /nfs/dbraw/zinc/14/12/94/263141294.db2.gz MTGNMBMSVBMHQA-RVDMUPIBSA-N 0 0 371.414 3.832 50 30 FHEARN CCN(CC)c1ccc(/C=N/NC(=S)Nc2cccc(C)c2)c(O)c1 ZINC000000671795 263141337 /nfs/dbraw/zinc/14/13/37/263141337.db2.gz MMOUCNYLFWCROS-DEDYPNTBSA-N 0 0 356.495 3.867 50 30 FHEARN CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 ZINC000003347105 263328957 /nfs/dbraw/zinc/32/89/57/263328957.db2.gz JVVBFHGPAXSNLB-MRXNPFEDSA-N 0 0 364.858 3.537 50 30 FHEARN CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(C#N)cc2)cc1 ZINC000007122394 263348961 /nfs/dbraw/zinc/34/89/61/263348961.db2.gz MQPBGYRUWWZZGO-AWEZNQCLSA-N 0 0 364.401 3.725 50 30 FHEARN C=C(C)CNC(=O)CCc1nnc(C2(c3ccc(Cl)cc3)CCC2)o1 ZINC000012051137 263368992 /nfs/dbraw/zinc/36/89/92/263368992.db2.gz QJAVYBQYZUGISD-UHFFFAOYSA-N 0 0 359.857 3.818 50 30 FHEARN O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1ccco1)C1c3ccccc3C2c2ccccc21 ZINC000018192991 263373230 /nfs/dbraw/zinc/37/32/30/263373230.db2.gz ZBOWLFYYHHLFEU-KJADNVALSA-N 0 0 368.392 3.506 50 30 FHEARN O=C(/C=C\c1ccccc1F)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000033654258 263395915 /nfs/dbraw/zinc/39/59/15/263395915.db2.gz DLYZZZHMFZXJDM-XFXZXTDPSA-N 0 0 359.422 3.506 50 30 FHEARN CCc1cnc(NC(=O)CC(O)CC(=O)Nc2ncc(CC)s2)s1 ZINC000328592812 263469025 /nfs/dbraw/zinc/46/90/25/263469025.db2.gz AXTKYHVDWBGDQZ-UHFFFAOYSA-N 0 0 368.484 3.742 50 30 FHEARN C#CCOc1ccc(/C=C2/N=C(/C=C\c3ccccc3)OC2=O)cc1OC ZINC000033478480 518318753 /nfs/dbraw/zinc/31/87/53/518318753.db2.gz STHSOGPQFSGCGR-SGLCGFEFSA-N 0 0 359.381 3.717 50 30 FHEARN C#CCn1c2c(cccc2Cl)s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 ZINC000100909868 518340576 /nfs/dbraw/zinc/34/05/76/518340576.db2.gz JCGOINRLLSGYPV-ZPHPHTNESA-N 0 0 371.805 3.639 50 30 FHEARN C=C(C)COc1cccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)c1 ZINC000006764380 518617498 /nfs/dbraw/zinc/61/74/98/518617498.db2.gz APZDMIGQRDUZHH-UHFFFAOYSA-N 0 0 363.417 3.964 50 30 FHEARN C=CCN(C(=O)CSc1nncn1-c1ccccc1)c1ccccc1 ZINC000008210861 518734539 /nfs/dbraw/zinc/73/45/39/518734539.db2.gz FPVHBFCHVQHJLZ-UHFFFAOYSA-N 0 0 350.447 3.579 50 30 FHEARN C=CCNC(=O)COc1cccc(-c2noc(-c3cccc(Cl)c3)n2)c1 ZINC000033327306 518896261 /nfs/dbraw/zinc/89/62/61/518896261.db2.gz XXOSPIDDNXHPCF-UHFFFAOYSA-N 0 0 369.808 3.738 50 30 FHEARN C=CCNC(=O)Cc1cccc(N(Cc2ccc(C)cc2)C(=O)C2CC2)c1 ZINC000037601116 518902026 /nfs/dbraw/zinc/90/20/26/518902026.db2.gz QBPSDWDIIFLYJE-UHFFFAOYSA-N 0 0 362.473 3.783 50 30 FHEARN C=CCNC(=O)c1cnc(-c2ccccc2)nc1Nc1cccc(OC)c1 ZINC000034922028 518945695 /nfs/dbraw/zinc/94/56/95/518945695.db2.gz RYOUBFGPRMOCTN-UHFFFAOYSA-N 0 0 360.417 3.812 50 30 FHEARN C=CCOc1ccc(C(=O)N(C)Cc2nc(-c3cccc(C)c3)no2)cc1 ZINC000007781067 519024162 /nfs/dbraw/zinc/02/41/62/519024162.db2.gz BFJHINUGKMBVOW-UHFFFAOYSA-N 0 0 363.417 3.882 50 30 FHEARN C=CCc1cc(Cl)ccc1OCCOCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000016247677 519131414 /nfs/dbraw/zinc/13/14/14/519131414.db2.gz YGSMKKXXHUIXGQ-IYBDPMFKSA-N 0 0 353.890 3.573 50 30 FHEARN C=CCn1c(C)cc(C(=O)COC(=O)c2c(C)cccc2[N+](=O)[O-])c1C ZINC000032850568 519168420 /nfs/dbraw/zinc/16/84/20/519168420.db2.gz IHNOSKUEEDWEFD-UHFFFAOYSA-N 0 0 356.378 3.547 50 30 FHEARN C=CCn1c(C)nnc1SCC(=O)N1CC[C@H](C)Sc2ccccc21 ZINC000036661734 519172252 /nfs/dbraw/zinc/17/22/52/519172252.db2.gz NBXNAINRRKYKBD-ZDUSSCGKSA-N 0 0 374.535 3.782 50 30 FHEARN C=CCn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1ccccc1F ZINC000004357101 519201306 /nfs/dbraw/zinc/20/13/06/519201306.db2.gz MUGIENYWJMAENW-UHFFFAOYSA-N 0 0 374.485 3.621 50 30 FHEARN C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccco1 ZINC000004134333 519226140 /nfs/dbraw/zinc/22/61/40/519226140.db2.gz HFJDFFXNAWHTFG-UHFFFAOYSA-N 0 0 358.398 3.594 50 30 FHEARN C=CCn1c(S[C@@H](C(N)=O)c2ccccc2)nnc1-c1ccc(C)cc1 ZINC000122480557 519250643 /nfs/dbraw/zinc/25/06/43/519250643.db2.gz GERPQDQCQJASDY-QGZVFWFLSA-N 0 0 364.474 3.758 50 30 FHEARN C=CCn1c2ccc(NC(=O)COc3ccc(C)cc3)cc2sc1=O ZINC000015865091 519262734 /nfs/dbraw/zinc/26/27/34/519262734.db2.gz XIUCDOMYCKWRSE-UHFFFAOYSA-N 0 0 354.431 3.575 50 30 FHEARN C=CCn1cnnc1S[C@H](C)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000036023240 519286676 /nfs/dbraw/zinc/28/66/76/519286676.db2.gz WYYGFTSILXTWQU-IIMQCXAKSA-N 0 0 368.506 3.825 50 30 FHEARN C=CCn1ncc(CN2CCc3onc(-c4ccc(F)c(F)c4)c3C2)c1C ZINC000067872496 519292173 /nfs/dbraw/zinc/29/21/73/519292173.db2.gz DZSUNOBCLPJCJM-UHFFFAOYSA-N 0 0 370.403 3.869 50 30 FHEARN CC(C)[C@@](C)(C#N)NC(=O)CSc1nc(C2CC2)nc2ccccc21 ZINC000010941378 519807699 /nfs/dbraw/zinc/80/76/99/519807699.db2.gz ZSJIVQIYWCKMPN-LJQANCHMSA-N 0 0 354.479 3.654 50 30 FHEARN CCCCCCCCCNC(=O)C[C@@H](NC(N)=O)c1ccccc1F ZINC000102807933 520027935 /nfs/dbraw/zinc/02/79/35/520027935.db2.gz VCGPFSVJXFIHSU-QGZVFWFLSA-N 0 0 351.466 3.792 50 30 FHEARN CCCCCOc1ccc([C@H]2C(C(C)=O)C(C)=Nc3ncnn32)cc1OC ZINC000013125225 520259117 /nfs/dbraw/zinc/25/91/17/520259117.db2.gz SKAIHRKSQHDYOZ-IBGZPJMESA-N 0 0 370.453 3.734 50 30 FHEARN CCCOc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)cc1 ZINC000020170992 520320117 /nfs/dbraw/zinc/32/01/17/520320117.db2.gz ZWXYMMBRGKNPEH-HAVVHWLPSA-N 0 0 351.494 3.936 50 30 FHEARN CCOC(=O)/C(=C/c1ccc(N2CCC(c3ccccc3)=N2)cc1)C(C)=O ZINC000005578198 520392599 /nfs/dbraw/zinc/39/25/99/520392599.db2.gz MOICTNVFTWFQIG-HMMYKYKNSA-N 0 0 362.429 3.837 50 30 FHEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccn2C)C1=O ZINC000036258386 520539042 /nfs/dbraw/zinc/53/90/42/520539042.db2.gz MMTPCDRTKDFWNQ-NTCAYCPXSA-N 0 0 354.431 3.569 50 30 FHEARN CCOc1cc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)ccc1O ZINC000019791061 520638768 /nfs/dbraw/zinc/63/87/68/520638768.db2.gz AIRSOJITXLPOPG-HZHRSRAPSA-N 0 0 367.493 3.559 50 30 FHEARN CCCCNc1nnc(SCC(=O)N(C)C2(C#N)CCCCC2)s1 ZINC000079183127 520699715 /nfs/dbraw/zinc/69/97/15/520699715.db2.gz QNSVXLXOWVEMIM-UHFFFAOYSA-N 0 0 367.544 3.527 50 30 FHEARN COc1cc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc(OC)c1 ZINC000007350199 521939710 /nfs/dbraw/zinc/93/97/10/521939710.db2.gz YJGPBNMTWLEIDH-CMDGGOBGSA-N 0 0 351.402 3.727 50 30 FHEARN COc1cc(/C=N/C[C@H]2CCCO2)ccc1OCc1ccc(Cl)nc1 ZINC000004089607 521985421 /nfs/dbraw/zinc/98/54/21/521985421.db2.gz LAWRUBRIRALFEC-PPAWOMOGSA-N 0 0 360.841 3.921 50 30 FHEARN CC[C@@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1 ZINC000002367033 522001860 /nfs/dbraw/zinc/00/18/60/522001860.db2.gz WQQIXFOUKOQUCN-HZPDHXFCSA-N 0 0 366.465 3.817 50 30 aggregator FHEARN COc1cc(C#N)c(NC(=NCc2ccc(F)cc2)SC)cc1OC ZINC000005675321 522032124 /nfs/dbraw/zinc/03/21/24/522032124.db2.gz IHBOOUGLYVACRB-UHFFFAOYSA-N 0 0 359.426 3.855 50 30 FHEARN COc1cc(N=NC(C)c2cccc([N+](=O)[O-])c2)nc(-c2ccccc2)n1 ZINC000005289581 522629759 /nfs/dbraw/zinc/62/97/59/522629759.db2.gz RVCLYDOWDKWIMG-LPYMAVHISA-N 0 0 363.377 3.897 50 30 FHEARN CN(CCOC(=O)c1cc(Cl)cc(Cl)c1)c1ccc(C#N)cn1 ZINC000020230178 522885649 /nfs/dbraw/zinc/88/56/49/522885649.db2.gz NFULHPMQIAXESM-UHFFFAOYSA-N 0 0 350.205 3.553 50 30 FHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc(C)cc1 ZINC000013570294 523277762 /nfs/dbraw/zinc/27/77/62/523277762.db2.gz GGOVDAMAXPTSJO-SFHVURJKSA-N 0 0 369.417 3.511 50 30 FHEARN COc1ccc(CN=Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 ZINC000016945078 523440266 /nfs/dbraw/zinc/44/02/66/523440266.db2.gz WVIFQBGMGQNWPM-RGVLZGJSSA-N 0 0 369.446 3.704 50 30 FHEARN COc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)c(OC)c1 ZINC000239121151 523884028 /nfs/dbraw/zinc/88/40/28/523884028.db2.gz JJXCTFJKEBPRLJ-UHFFFAOYSA-N 0 0 374.853 3.787 50 30 FHEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc2ccccn21 ZINC000018036956 524034544 /nfs/dbraw/zinc/03/45/44/524034544.db2.gz NOYAGIRIKWZBMQ-ATVHPVEESA-N 0 0 364.474 3.702 50 30 FHEARN CCc1ccc([C@H](NCC(=O)NC2(C#N)CCCC2)c2cccs2)cc1 ZINC000039990636 524051400 /nfs/dbraw/zinc/05/14/00/524051400.db2.gz WEEKBBVLQCUTSR-FQEVSTJZSA-N 0 0 367.518 3.942 50 30 FHEARN Cc1cc(C=NO)c(C)n1-c1ccc(I)c(C)c1 ZINC000252320704 524609741 /nfs/dbraw/zinc/60/97/41/524609741.db2.gz NWWSKVHXCQFWDM-UHFFFAOYSA-N 0 0 354.191 3.815 50 30 FHEARN Cc1ccccc1CSc1nc(N=NCc2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000006318946 525186991 /nfs/dbraw/zinc/18/69/91/525186991.db2.gz UNBCBNHTOCSQQZ-VCHYOVAHSA-N 0 0 368.422 3.760 50 30 FHEARN Cc1[nH]c2ccc(C(=O)O[C@H](C)C(=O)NC3(C#N)CCCCC3)cc2c1C ZINC000009552077 525423995 /nfs/dbraw/zinc/42/39/95/525423995.db2.gz UELCVGRXWOHXNR-OAHLLOKOSA-N 0 0 367.449 3.673 50 30 FHEARN Cc1ccc(S(=O)(=O)N2C(=O)C(C)(C)SC2=Nc2ccccc2)cc1 ZINC000245247930 525517028 /nfs/dbraw/zinc/51/70/28/525517028.db2.gz ZDZRHGJYEKCBHL-UHFFFAOYSA-N 0 0 374.487 3.725 50 30 FHEARN COc1cccc(-c2nc(C(=O)OCCC#Cc3ccccc3)c(C)[nH]2)c1 ZINC000095450781 525722490 /nfs/dbraw/zinc/72/24/90/525722490.db2.gz QGBGTWPSZRFZDE-UHFFFAOYSA-N 0 0 360.413 3.992 50 30 FHEARN C[C@@H](ON=C(N)Cc1ccccc1Cl)C(=O)N1c2ccccc2C[C@H]1C ZINC000078695998 525883195 /nfs/dbraw/zinc/88/31/95/525883195.db2.gz ZHXCHAWYIKNMKX-ZIAGYGMSSA-N 0 0 371.868 3.538 50 30 FHEARN CSc1cc2c(cc1NC(=O)N(CCC#N)Cc1ccco1)OCCO2 ZINC000079105291 525947713 /nfs/dbraw/zinc/94/77/13/525947713.db2.gz PVVCLVLIGDEWBQ-UHFFFAOYSA-N 0 0 373.434 3.720 50 30 FHEARN Cc1csc(SCC2CCN(C(=O)c3cccc(C#N)c3)CC2)n1 ZINC000090608130 526397514 /nfs/dbraw/zinc/39/75/14/526397514.db2.gz UYGZHFFYQGJZEA-UHFFFAOYSA-N 0 0 357.504 3.968 50 30 FHEARN Fc1nc(F)c(F)c(NCCCNc2c(F)c(F)nc(F)c2F)c1F ZINC000017434122 526426396 /nfs/dbraw/zinc/42/63/96/526426396.db2.gz SXFVOOSWOKCVKQ-UHFFFAOYSA-N 0 0 372.219 3.504 50 30 FHEARN N#Cc1ccc(OC2CCN(C(=O)CCSc3ccccc3)CC2)nc1 ZINC000090607640 526669457 /nfs/dbraw/zinc/66/94/57/526669457.db2.gz YHVNPPTYXFSYIN-UHFFFAOYSA-N 0 0 367.474 3.505 50 30 FHEARN N#Cc1cccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000103503453 526701225 /nfs/dbraw/zinc/70/12/25/526701225.db2.gz ZQQLXJKERHSBFY-OAHLLOKOSA-N 0 0 357.291 3.538 50 30 FHEARN N=C(NOC(=O)COc1ccc2ccccc2c1)c1ccc(Cl)cc1 ZINC000005101988 526808503 /nfs/dbraw/zinc/80/85/03/526808503.db2.gz CDKDUEIJFHSAFA-UHFFFAOYSA-N 0 0 354.793 3.736 50 30 FHEARN Cc1nccc(-c2cccc(NCC(=O)N(C)C3(C#N)CCCCC3)c2)n1 ZINC000042120895 527323563 /nfs/dbraw/zinc/32/35/63/527323563.db2.gz ACJAMRZRUICWJR-UHFFFAOYSA-N 0 0 363.465 3.549 50 30 FHEARN O=[N+]([O-])c1ccccc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1 ZINC000239105312 527397772 /nfs/dbraw/zinc/39/77/72/527397772.db2.gz IFEJIKFCNQJTSJ-UHFFFAOYSA-N 0 0 359.798 3.678 50 30 FHEARN COc1ccccc1N1CCN(/N=C/c2ccc(C(F)(F)F)cc2)CC1 ZINC000001214620 537062937 /nfs/dbraw/zinc/06/29/37/537062937.db2.gz KEBMJOAQCWWLHG-OEAKJJBVSA-N 0 0 363.383 3.870 50 30 FHEARN CCOc1ccc(/C=C2/Oc3ccc(C(=O)OC)cc3C2=O)cc1OCC ZINC000002704839 560188495 /nfs/dbraw/zinc/18/84/95/560188495.db2.gz USGMNLZFSTUZPH-YBFXNURJSA-N 0 0 368.385 3.887 50 30 biogenic,in-vitro FHEARN CCOc1cc(C#N)ccc1OS(=O)(=O)c1ccc(F)cc1Cl ZINC000024754233 568079022 /nfs/dbraw/zinc/07/90/22/568079022.db2.gz HCOAADZVLOYTBX-UHFFFAOYSA-N 0 0 355.774 3.517 50 30 FHEARN COCc1cc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)ccc1OC ZINC000215730649 568085938 /nfs/dbraw/zinc/08/59/38/568085938.db2.gz UVUAHAPBJIBWKG-UHFFFAOYSA-N 0 0 350.462 3.899 50 30 FHEARN C[C@@H](Oc1ccc(C[NH+]2CCC(C#N)(c3ccccc3)CC2)cc1)C(=O)[O-] ZINC000215828903 568091106 /nfs/dbraw/zinc/09/11/06/568091106.db2.gz JUTWYLUIILPASM-QGZVFWFLSA-N 0 0 364.445 3.596 50 30 FHEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccsc1 ZINC000012348406 568288611 /nfs/dbraw/zinc/28/86/11/568288611.db2.gz CVHQIRCPOXQLJA-MRXNPFEDSA-N 0 0 363.442 3.792 50 30 FHEARN CCOC(=O)C1=C(C)NC(=Cc2ccccc2OCc2ccccc2)C1=O ZINC000000792888 570456503 /nfs/dbraw/zinc/45/65/03/570456503.db2.gz BJGVHFQECBKFPO-QGOAFFKASA-N 0 0 363.413 3.616 50 30 FHEARN COc1ccc(C(=O)O/N=C2/c3ccccc3-c3ncccc32)cc1OC ZINC000001156262 570485296 /nfs/dbraw/zinc/48/52/96/570485296.db2.gz HXZNYXMTXCOZAI-ATJXCDBQSA-N 0 0 360.369 3.689 50 30 FHEARN CCOc1ccc(/C=C/c2nc(C#N)c(N3C[C@@H](C)O[C@H](C)C3)o2)cc1 ZINC000004839404 570524048 /nfs/dbraw/zinc/52/40/48/570524048.db2.gz SMAADTHPXFACRX-FSQQNCNXSA-N 0 0 353.422 3.729 50 30 FHEARN Cn1c(SCc2cccc(C#N)c2)nc2sc3c(c2c1=O)CCC3 ZINC000004841422 570527283 /nfs/dbraw/zinc/52/72/83/570527283.db2.gz IXXHGEZNMZRREN-UHFFFAOYSA-N 0 0 353.472 3.648 50 30 FHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC ZINC000002801442 570532673 /nfs/dbraw/zinc/53/26/73/570532673.db2.gz ACMKZIKGKBAYMZ-IBGZPJMESA-N 0 0 355.434 3.616 50 30 FHEARN COc1cc(C=NNc2nc3cc(Cl)ccc3[nH]2)cc(OC)c1OC ZINC000004855363 570551796 /nfs/dbraw/zinc/55/17/96/570551796.db2.gz ZCQMEGXGDYFKDW-DJKKODMXSA-N 0 0 360.801 3.688 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004919566 570559588 /nfs/dbraw/zinc/55/95/88/570559588.db2.gz ZISQYMBZBZMMEZ-YJBOKZPZSA-N 0 0 355.346 3.507 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1cccc(OC)c1OC ZINC000004919587 570559747 /nfs/dbraw/zinc/55/97/47/570559747.db2.gz ZBTFJXJOAWOGKX-KXBFYZLASA-N 0 0 370.401 3.616 50 30 FHEARN Cc1nnc(SCC(=O)Nc2cccc(C#N)c2)n1C1CCCCC1 ZINC000004925434 570561704 /nfs/dbraw/zinc/56/17/04/570561704.db2.gz KQDFIFJNNGVYOF-UHFFFAOYSA-N 0 0 355.467 3.694 50 30 FHEARN CC(C)Oc1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1 ZINC000005009248 570574515 /nfs/dbraw/zinc/57/45/15/570574515.db2.gz IMTJRLLTZFPQHO-UHFFFAOYSA-N 0 0 365.458 3.800 50 30 FHEARN Cc1nc2scc(-c3ccc(C(C)C)cc3)c2c(=O)n1/N=C/N(C)C ZINC000004284207 570583142 /nfs/dbraw/zinc/58/31/42/570583142.db2.gz XOCOFSPKAZYIHH-RGVLZGJSSA-N 0 0 354.479 3.910 50 30 FHEARN COc1ccc(/C(C)=N/N=C2\NC(=O)[C@@H](Cc3ccc(C)cc3)S2)cc1 ZINC000005124056 570586903 /nfs/dbraw/zinc/58/69/03/570586903.db2.gz KSRPXQBWLYPLBL-SDLXJUDFSA-N 0 0 367.474 3.558 50 30 FHEARN N#CCOc1ccccc1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000004544543 570595619 /nfs/dbraw/zinc/59/56/19/570595619.db2.gz JLIZFVHNWQWFKR-FOWTUZBSSA-N 0 0 352.440 3.995 50 30 FHEARN C=CC[C@@H]1N(C(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)CCCC1(C)C ZINC000225512114 570609352 /nfs/dbraw/zinc/60/93/52/570609352.db2.gz KDICHCQSNUMJJM-UXHICEINSA-N 0 0 372.509 3.856 50 30 FHEARN C=CCc1c(C(=O)OC)ccc(Br)c1OCc1cc(C)on1 ZINC000225542918 570609380 /nfs/dbraw/zinc/60/93/80/570609380.db2.gz NJVCOWVKJNSEFY-UHFFFAOYSA-N 0 0 366.211 3.840 50 30 FHEARN O=C1N/C(=N\N=C\c2ccc(Cl)cc2)S[C@@H]1Cc1ccc(F)cc1 ZINC000004889225 570612314 /nfs/dbraw/zinc/61/23/14/570612314.db2.gz HALVPNNTMBSUAZ-IXJMWADBSA-N 0 0 361.829 3.643 50 30 FHEARN CCOC(=O)c1c(C)c(C(C)=[NH+][N-]c2ccc([N+](=O)[O-])cc2)sc1N ZINC000004964967 570614783 /nfs/dbraw/zinc/61/47/83/570614783.db2.gz JGENTHMBZKDVST-ZDLGFXPLSA-N 0 0 362.411 3.560 50 30 FHEARN O=[N+]([O-])c1ccccc1C=NNc1ccc2nn(-c3ccccc3)nc2c1 ZINC000004953532 570614867 /nfs/dbraw/zinc/61/48/67/570614867.db2.gz OKLKHGJRTYDGQQ-DEDYPNTBSA-N 0 0 358.361 3.775 50 30 FHEARN N=C(NOC(=O)c1ccccc1Cl)c1ccc(Br)cc1 ZINC000005042475 570619194 /nfs/dbraw/zinc/61/91/94/570619194.db2.gz PEAWTRFFRWQGCF-UHFFFAOYSA-N 0 0 353.603 3.580 50 30 FHEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(O)c1 ZINC000005129032 570621533 /nfs/dbraw/zinc/62/15/33/570621533.db2.gz TWJJATUTUQUXEW-LJQANCHMSA-N 0 0 367.445 3.725 50 30 FHEARN Cc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccccc3O)CC2=Nc2ncnn21 ZINC000005203472 570633087 /nfs/dbraw/zinc/63/30/87/570633087.db2.gz ZWGVPVOHXHALJI-LHSJRXKWSA-N 0 0 372.428 3.708 50 30 FHEARN COc1cccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000005917274 570638746 /nfs/dbraw/zinc/63/87/46/570638746.db2.gz HHKMNHMGQBVIBR-SFHVURJKSA-N 0 0 365.429 3.859 50 30 FHEARN COc1cc(C#N)ccc1O[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000005429893 570655489 /nfs/dbraw/zinc/65/54/89/570655489.db2.gz NDFIDJFNGKDWPE-KBXCAEBGSA-N 0 0 350.418 3.528 50 30 FHEARN COc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)c1 ZINC000005577064 570677249 /nfs/dbraw/zinc/67/72/49/570677249.db2.gz VVBVLEZMGGOHQV-BOPFTXTBSA-N 0 0 353.447 3.653 50 30 FHEARN CC(C)c1ccc2c(c1)C(=NNC(=S)NCc1ccccc1)C(=O)N2 ZINC000007013453 570682795 /nfs/dbraw/zinc/68/27/95/570682795.db2.gz SJOCZKZWQMASSF-UHFFFAOYSA-N 0 0 352.463 3.780 50 30 FHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2ccccc2)cc1 ZINC000005800689 570683750 /nfs/dbraw/zinc/68/37/50/570683750.db2.gz NMUPXGZROVNVQD-GOSISDBHSA-N 0 0 371.396 3.568 50 30 FHEARN O=C1C[C@@H](c2ccco2)CC2=Nc3ncnn3[C@H](c3cc(F)cc(F)c3)C12 ZINC000008743662 570687140 /nfs/dbraw/zinc/68/71/40/570687140.db2.gz XOMIKTJMVYGCFX-XTZNXHDOSA-N 0 0 368.343 3.565 50 30 FHEARN COc1cc(Br)c(CCNc2ccccc2C#N)cc1OC ZINC000032808483 570805909 /nfs/dbraw/zinc/80/59/09/570805909.db2.gz IGRMKAZSDSGBPM-UHFFFAOYSA-N 0 0 361.239 3.993 50 30 FHEARN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc(C#N)cc1F ZINC000032860259 570823874 /nfs/dbraw/zinc/82/38/74/570823874.db2.gz SSVLWLWOABDQMQ-NSHDSACASA-N 0 0 360.366 3.830 50 30 FHEARN COc1ccccc1NC(=O)CCSc1nc(C)c(C(C)=O)cc1C#N ZINC000032871159 570828432 /nfs/dbraw/zinc/82/84/32/570828432.db2.gz WMFNEGBPGXJTOK-UHFFFAOYSA-N 0 0 369.446 3.594 50 30 FHEARN Cc1ccc(CCC2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000010672179 570913315 /nfs/dbraw/zinc/91/33/15/570913315.db2.gz BJWZHJDZQAMLIA-UHFFFAOYSA-N 0 0 368.502 3.900 50 30 FHEARN O=C(N/C(=N/c1ccccc1)NCc1ccncc1)c1ccc(F)c(F)c1 ZINC000045939823 570915229 /nfs/dbraw/zinc/91/52/29/570915229.db2.gz DLYIMIIQOIMXBF-UHFFFAOYSA-N 0 0 366.371 3.567 50 30 FHEARN O=C(NC(=NCc1ccncc1)Nc1ccccc1F)c1ccc(F)cc1 ZINC000045939884 570915261 /nfs/dbraw/zinc/91/52/61/570915261.db2.gz UGJOXQPPMDJAAY-UHFFFAOYSA-N 0 0 366.371 3.567 50 30 FHEARN Cc1ccccc1NC(=NC(=O)c1ccc(F)cc1)NC[C@H]1CCCO1 ZINC000046129296 570927680 /nfs/dbraw/zinc/92/76/80/570927680.db2.gz OXOFAQJEVYUUCP-QGZVFWFLSA-N 0 0 355.413 3.511 50 30 FHEARN Cc1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(C)c(C)c2)c1 ZINC000046129659 570927983 /nfs/dbraw/zinc/92/79/83/570927983.db2.gz MNMUYLZCFVEATP-FQEVSTJZSA-N 0 0 365.477 3.989 50 30 FHEARN Cc1ccc(C)c(NC(=NC(=O)c2cccc(F)c2)NC[C@H]2CCCO2)c1 ZINC000046130151 570928080 /nfs/dbraw/zinc/92/80/80/570928080.db2.gz XAXDFXKFZRCHCN-GOSISDBHSA-N 0 0 369.440 3.819 50 30 FHEARN CCc1ccc(NC(=NC(=O)c2cccc(C)c2)NC[C@@H]2CCCO2)cc1 ZINC000046133334 570928861 /nfs/dbraw/zinc/92/88/61/570928861.db2.gz HTVFJQUDYCDZMJ-FQEVSTJZSA-N 0 0 365.477 3.934 50 30 FHEARN N#Cc1c(F)cccc1NCCNC(=O)Nc1ccccc1C(F)(F)F ZINC000047698763 570930121 /nfs/dbraw/zinc/93/01/21/570930121.db2.gz PFBSEISTKOENEQ-UHFFFAOYSA-N 0 0 366.318 3.950 50 30 FHEARN COc1ccccc1-c1nc(NC(=O)[C@H](C)OCc2ccccc2)n[nH]1 ZINC000048356078 570950199 /nfs/dbraw/zinc/95/01/99/570950199.db2.gz OELHJIOUFGCUKB-ZDUSSCGKSA-N 0 0 352.394 3.674 50 30 FHEARN N#C[C@H](c1ccccc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000028896336 571035208 /nfs/dbraw/zinc/03/52/08/571035208.db2.gz YZXZCUAMBYLKCL-RXXSEBCPSA-N 0 0 363.505 3.612 50 30 FHEARN C=CCn1c(SCc2noc(C(C)C)n2)nnc1-c1ccccc1OC ZINC000052889321 571047128 /nfs/dbraw/zinc/04/71/28/571047128.db2.gz VPANFINSDDOQRO-UHFFFAOYSA-N 0 0 371.466 3.938 50 30 FHEARN COc1cc(/C=C/c2nc(C#N)c(N3CCCCC3)o2)cc(OC)c1OC ZINC000008469922 571047735 /nfs/dbraw/zinc/04/77/35/571047735.db2.gz CUEXPYQVBPTTPY-BQYQJAHWSA-N 0 0 369.421 3.733 50 30 FHEARN C[C@H](OC(=O)c1cccc2cccnc21)C(=O)N(CCC#N)c1ccccc1 ZINC000083888368 571056770 /nfs/dbraw/zinc/05/67/70/571056770.db2.gz JTHBKIVLLXWBQZ-INIZCTEOSA-N 0 0 373.412 3.727 50 30 FHEARN C=CCN(Cc1ccccc1OCC)C(=O)c1cccc(NC(C)=O)c1 ZINC000055280984 571058455 /nfs/dbraw/zinc/05/84/55/571058455.db2.gz RMOGAJUPRPEZNA-UHFFFAOYSA-N 0 0 352.434 3.872 50 30 FHEARN C=CCN(Cc1ccccc1F)C(=O)C[C@H](NC(C)=O)c1cccs1 ZINC000058202371 571062707 /nfs/dbraw/zinc/06/27/07/571062707.db2.gz OAWNYKWKNWJDOY-KRWDZBQOSA-N 0 0 360.454 3.669 50 30 FHEARN CCNC(=S)N/N=C\c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000033286714 571063853 /nfs/dbraw/zinc/06/38/53/571063853.db2.gz JYUIOHKTKYWVON-YVNNLAQVSA-N 0 0 368.428 3.931 50 30 FHEARN Cc1cccc(NC(=NC(=O)c2ccc(F)cc2)NCc2cccnc2)c1 ZINC000046127678 571064574 /nfs/dbraw/zinc/06/45/74/571064574.db2.gz PAVVNEBMFHBNMQ-UHFFFAOYSA-N 0 0 362.408 3.927 50 30 FHEARN C=CCN(Cc1cccc(OC)c1)C(=O)c1nc2cccc(C)n2c1F ZINC000065404687 571074205 /nfs/dbraw/zinc/07/42/05/571074205.db2.gz ZSHVQQSARHBRLX-UHFFFAOYSA-N 0 0 353.397 3.619 50 30 FHEARN COc1cc(C#N)ccc1OCCCC(=O)N1c2ccccc2C[C@@H]1C ZINC000040107366 571078088 /nfs/dbraw/zinc/07/80/88/571078088.db2.gz VGEYIZCGWIOLAL-HNNXBMFYSA-N 0 0 350.418 3.704 50 30 FHEARN COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000040107296 571078094 /nfs/dbraw/zinc/07/80/94/571078094.db2.gz RLYZSIDQVANDMK-ZWKOTPCHSA-N 0 0 356.466 3.907 50 30 FHEARN CN(CCC(=O)Nc1ccccc1C#N)Cc1nc2ccccc2s1 ZINC000012760449 571080137 /nfs/dbraw/zinc/08/01/37/571080137.db2.gz JGAAODIBPJDXFG-UHFFFAOYSA-N 0 0 350.447 3.629 50 30 FHEARN CCOC(=O)c1cc(C#N)c(SCc2cccc([N+](=O)[O-])c2C)nc1C ZINC000040127528 571081176 /nfs/dbraw/zinc/08/11/76/571081176.db2.gz GHTPIDIHQKVELJ-UHFFFAOYSA-N 0 0 371.418 3.947 50 30 FHEARN N#Cc1cc2c(n(-c3ccc(Cl)cc3)c1=O)C[C@H](c1ccco1)CC2=O ZINC000032985475 571083242 /nfs/dbraw/zinc/08/32/42/571083242.db2.gz KAPKGFLDVKPIDJ-LBPRGKRZSA-N 0 0 364.788 3.868 50 30 FHEARN Cc1ccccc1-n1c2c(cc(C#N)c1=O)C(=O)C[C@H](c1ccccc1)C2 ZINC000032985438 571083302 /nfs/dbraw/zinc/08/33/02/571083302.db2.gz QHJHPENRVJIGHM-QGZVFWFLSA-N 0 0 354.409 3.930 50 30 FHEARN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1cc2cc([N+](=O)[O-])ccc2oc1=O ZINC000004598238 571100881 /nfs/dbraw/zinc/10/08/81/571100881.db2.gz UQDQAWOVRRVNRU-XVNBXDOJSA-N 0 0 366.285 3.506 50 30 FHEARN CC(C)c1ccc(C[C@H]2S/C(=N\N=C\c3ccccc3O)NC2=O)cc1 ZINC000006050035 571112853 /nfs/dbraw/zinc/11/28/53/571112853.db2.gz GFUFMIZBTAOYRK-AGKWGAAGSA-N 0 0 367.474 3.680 50 30 FHEARN C=CCn1c(SCCc2ccc(OC)cc2)nc2ccsc2c1=O ZINC000012636335 571118365 /nfs/dbraw/zinc/11/83/65/571118365.db2.gz OFLGPMJFFJOZJQ-UHFFFAOYSA-N 0 0 358.488 3.987 50 30 FHEARN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2n1C ZINC000057996467 571123516 /nfs/dbraw/zinc/12/35/16/571123516.db2.gz TYDXTMFYZSRNGV-DIFFPNOSSA-N 0 0 364.902 3.762 50 30 FHEARN COc1ccc(C)cc1NC(=O)COc1c(Cl)cc(C#N)cc1OC ZINC000006126662 571128574 /nfs/dbraw/zinc/12/85/74/571128574.db2.gz BPBRDJIEJGFOSF-UHFFFAOYSA-N 0 0 360.797 3.555 50 30 FHEARN C[C@@H](CCc1ccc(Br)cc1)NC(=O)N1CCC(C#N)CC1 ZINC000058209788 571129116 /nfs/dbraw/zinc/12/91/16/571129116.db2.gz LXFYVEZXGKKYIO-ZDUSSCGKSA-N 0 0 364.287 3.715 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)N(O)C[C@H]1c1cccc(Oc2ccc(CC)cc2)c1 ZINC000003997642 571129863 /nfs/dbraw/zinc/12/98/63/571129863.db2.gz PCABVTNIDXAZMY-OALUTQOASA-N 0 0 369.417 3.536 50 30 FHEARN C=CCNC(=S)NN=Cc1ccc(OCc2ccccc2Cl)cc1 ZINC000015985797 571148656 /nfs/dbraw/zinc/14/86/56/571148656.db2.gz SYABEILRJCUMSV-UHFFFAOYSA-N 0 0 359.882 3.903 50 30 FHEARN COc1ccc(/C(C)=N\N2CCN(Cc3ccc(C)cc3C)CC2)cc1 ZINC000033097059 571155529 /nfs/dbraw/zinc/15/55/29/571155529.db2.gz FKBROFBJVVZEEA-NMWGTECJSA-N 0 0 351.494 3.854 50 30 FHEARN C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1c(C#N)cnn1-c1ccccc1 ZINC000004673419 571157254 /nfs/dbraw/zinc/15/72/54/571157254.db2.gz QKPAXSGBQIRJOU-ZDUSSCGKSA-N 0 0 366.808 3.803 50 30 FHEARN N#Cc1ccccc1Cn1cccc(-c2nc(-c3ccsc3)no2)c1=O ZINC000075166153 571157685 /nfs/dbraw/zinc/15/76/85/571157685.db2.gz JEDKCPGOIRIMSP-UHFFFAOYSA-N 0 0 360.398 3.547 50 30 FHEARN CCNC(=O)C[C@@H]1CCCCN1C(=O)c1nc(C2CC2)n2ccccc12 ZINC000329090374 571164932 /nfs/dbraw/zinc/16/49/32/571164932.db2.gz WMMHFPDNNFMSRJ-HNNXBMFYSA-N 0 0 354.454 3.573 50 30 FHEARN CC(=N[N-]c1nc2nc3c(cccc3C)c-2[nH][nH+]1)c1cccc([N+](=O)[O-])c1 ZINC000004713020 571168036 /nfs/dbraw/zinc/16/80/36/571168036.db2.gz CCUQSSWAPAPPHU-NHDPSOOVSA-N 0 0 361.365 3.559 50 30 FHEARN N#Cc1c(NC(=O)CN2CCc3ccccc3C2)sc2c1CCCCC2 ZINC000035500519 571177626 /nfs/dbraw/zinc/17/76/26/571177626.db2.gz JOZMYFRHXYUQDU-UHFFFAOYSA-N 0 0 365.502 3.885 50 30 FHEARN Cc1cc(C)c(C#N)c(SCCCCN2C(=O)c3ccccc3C2=O)n1 ZINC000012546767 571178401 /nfs/dbraw/zinc/17/84/01/571178401.db2.gz LUMWBAYCSSELJG-UHFFFAOYSA-N 0 0 365.458 3.739 50 30 FHEARN Cc1cc(C)n(-c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4n3C)cc2)n1 ZINC000012560812 571182676 /nfs/dbraw/zinc/18/26/76/571182676.db2.gz YCJMJTOZMPBFNE-GOSISDBHSA-N 0 0 369.428 3.866 50 30 FHEARN CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccccc1C#N)O[C@@H](C)C2 ZINC000012564486 571183961 /nfs/dbraw/zinc/18/39/61/571183961.db2.gz TYPJKPDEERSABD-UONOGXRCSA-N 0 0 365.433 3.719 50 30 FHEARN O=C(/C=C/c1csc(-c2ccccn2)n1)c1ccc2c(c1)OCCO2 ZINC000040139575 571185897 /nfs/dbraw/zinc/18/58/97/571185897.db2.gz ZTULFTYCOUCSQD-AATRIKPKSA-N 0 0 350.399 3.872 50 30 FHEARN Cc1nn(C)cc1C(=O)/C=C/c1ccc(COc2ccc([N+](=O)[O-])cc2)o1 ZINC000006527239 571207081 /nfs/dbraw/zinc/20/70/81/571207081.db2.gz FHXROYOUTZYIGK-MDZDMXLPSA-N 0 0 367.361 3.705 50 30 FHEARN N#Cc1ccccc1NC(=O)COc1ncnc2c(Cl)cc(Cl)cc12 ZINC000006566725 571209714 /nfs/dbraw/zinc/20/97/14/571209714.db2.gz AKRWBIVFTHFQGQ-UHFFFAOYSA-N 0 0 373.199 3.826 50 30 FHEARN CCOc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)nc2c1 ZINC000006589784 571211164 /nfs/dbraw/zinc/21/11/64/571211164.db2.gz CENCWRZNHWMTAP-LBPRGKRZSA-N 0 0 366.446 3.953 50 30 FHEARN Cc1cccc(-c2nc3n(n2)[C@H](c2ccc(O)cc2)C2C(=O)CCCC2=N3)c1 ZINC000006732454 571243973 /nfs/dbraw/zinc/24/39/73/571243973.db2.gz VAWHOWCSTSRPAI-HXUWFJFHSA-N 0 0 372.428 3.981 50 30 FHEARN N#Cc1c2c(sc1NC(=O)CSc1ncccn1)CCCCCC2 ZINC000006741332 571244467 /nfs/dbraw/zinc/24/44/67/571244467.db2.gz SBDMIBIOJVPRMG-UHFFFAOYSA-N 0 0 358.492 3.800 50 30 FHEARN COc1ccc(/N=C2\NN=C(c3c[nH]c4ccccc43)CS2)cc1OC ZINC000006786159 571246573 /nfs/dbraw/zinc/24/65/73/571246573.db2.gz JXIGFRJLSMOSLQ-UHFFFAOYSA-N 0 0 366.446 3.913 50 30 FHEARN COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](C)c1ccccc1 ZINC000036398111 571253243 /nfs/dbraw/zinc/25/32/43/571253243.db2.gz UXUJLDYBAOWYSU-MRXNPFEDSA-N 0 0 352.434 3.646 50 30 FHEARN Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)N(C)Cc2cccc(F)c2)n1 ZINC000007049458 571258529 /nfs/dbraw/zinc/25/85/29/571258529.db2.gz NZPZQYOVVBLYSL-AWEZNQCLSA-N 0 0 357.454 3.848 50 30 FHEARN Cc1cc(C)c(C#N)c(SCC(=O)N2CC=C(c3ccccc3)CC2)n1 ZINC000007096874 571260834 /nfs/dbraw/zinc/26/08/34/571260834.db2.gz NUGQDUPADGMDMQ-UHFFFAOYSA-N 0 0 363.486 3.978 50 30 FHEARN N#Cc1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 ZINC000036774854 571262833 /nfs/dbraw/zinc/26/28/33/571262833.db2.gz GTAYOUAIWYTVBN-HNNXBMFYSA-N 0 0 351.362 3.579 50 30 FHEARN N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000007217453 571263161 /nfs/dbraw/zinc/26/31/61/571263161.db2.gz DSTARGFSNGUFCI-INIZCTEOSA-N 0 0 369.471 3.694 50 30 FHEARN C[C@@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000065453397 571263493 /nfs/dbraw/zinc/26/34/93/571263493.db2.gz IZIVCBUJMBAPTO-ZDUSSCGKSA-N 0 0 374.487 3.594 50 30 FHEARN Cc1ccc2c(c1)nc(CCNc1nc(C(F)(F)F)ccc1C#N)n2C ZINC000170631901 571269640 /nfs/dbraw/zinc/26/96/40/571269640.db2.gz HWBYSYTUTDRNIS-UHFFFAOYSA-N 0 0 359.355 3.822 50 30 FHEARN N#CC1(NC(=O)CSc2ccc(C(F)(F)F)cn2)CCCCCC1 ZINC000042698032 571270379 /nfs/dbraw/zinc/27/03/79/571270379.db2.gz YUODAUOYYOYHMV-UHFFFAOYSA-N 0 0 357.401 3.925 50 30 FHEARN Cc1cc(C)n(N=Cc2ccc(OCc3ccccc3)cc2)c(=O)c1C#N ZINC000252459890 571278906 /nfs/dbraw/zinc/27/89/06/571278906.db2.gz ACTDQRKVTMDEAV-UHFFFAOYSA-N 0 0 357.413 3.798 50 30 FHEARN O=C(C=NOCc1coc(-c2cccs2)n1)Nc1ccc(F)cc1F ZINC000252458358 571278925 /nfs/dbraw/zinc/27/89/25/571278925.db2.gz BVBPGOLERIHPLZ-UHFFFAOYSA-N 0 0 363.345 3.822 50 30 FHEARN O=C1c2ccccc2C(=O)N1N=Cc1ccc(OCc2ccccc2)cc1 ZINC000252462345 571279103 /nfs/dbraw/zinc/27/91/03/571279103.db2.gz RRJDTXQGNZURLQ-UHFFFAOYSA-N 0 0 356.381 3.896 50 30 FHEARN CC(=O)Nc1ccc(C(C)=NOCc2cc3c(c(Cl)c2)OCO3)cc1 ZINC000252467576 571279282 /nfs/dbraw/zinc/27/92/82/571279282.db2.gz SUFXXFIBMFAIMA-UHFFFAOYSA-N 0 0 360.797 3.968 50 30 FHEARN CC1CCN(CN2c3ccccc3C(=Nc3ccc(F)cc3)C2=O)CC1 ZINC000252594089 571284323 /nfs/dbraw/zinc/28/43/23/571284323.db2.gz BPILFSKGZLGKSU-UHFFFAOYSA-N 0 0 351.425 3.983 50 30 FHEARN COc1ccc(C(C)=NN2CCN(Cc3ccc(C)cc3)CC2)cc1OC ZINC000252596705 571284487 /nfs/dbraw/zinc/28/44/87/571284487.db2.gz CLNVGGPDUKAMRT-UHFFFAOYSA-N 0 0 367.493 3.554 50 30 FHEARN CN(C)c1ccc(C=Nc2nnc(-c3ccc4c(c3)OCO4)s2)cc1 ZINC000252602703 571284726 /nfs/dbraw/zinc/28/47/26/571284726.db2.gz FJOLYGUXRNNOSH-UHFFFAOYSA-N 0 0 352.419 3.750 50 30 FHEARN COc1ccc(OC)c(/C=C2/SC(=Nc3ccccc3)N(C)C2=O)c1 ZINC000252607678 571284954 /nfs/dbraw/zinc/28/49/54/571284954.db2.gz HDXRUXWTHRWOJB-NETLLJLASA-N 0 0 354.431 3.938 50 30 FHEARN N#Cc1cccc(S(=O)(=O)N[C@@H](c2cccs2)c2ccccc2)c1 ZINC000007702244 571286038 /nfs/dbraw/zinc/28/60/38/571286038.db2.gz VREHFZBGERDPOM-GOSISDBHSA-N 0 0 354.456 3.688 50 30 FHEARN CCCOc1ccccc1CN=Nc1nnc2c3ccccc3n(C)c2n1 ZINC000252626668 571289013 /nfs/dbraw/zinc/28/90/13/571289013.db2.gz RDFZKEVQHWYMLW-UHFFFAOYSA-N 0 0 360.421 3.751 50 30 FHEARN CCCSc1nnc(NN=C(C)c2ccc(Br)cc2)[nH]1 ZINC000253476493 571291661 /nfs/dbraw/zinc/29/16/61/571291661.db2.gz VQDXKRJXRNOIKC-UHFFFAOYSA-N 0 0 354.277 3.905 50 30 FHEARN COc1cc(-c2cc(-c3ccc(NC(C)=O)cc3)nc(N)c2C#N)ccc1O ZINC000019926393 571308371 /nfs/dbraw/zinc/30/83/71/571308371.db2.gz XVGURDFKTBMYRK-UHFFFAOYSA-N 0 0 374.400 3.542 50 30 FHEARN C=CCC1(CC=C)C[C@H](O)[C@@H]2[C@H](CC=C3CC4(CC[C@@]32C)OCCO4)C1=O ZINC000032105554 571308436 /nfs/dbraw/zinc/30/84/36/571308436.db2.gz QHQOIHNSBHTJLJ-IWFBPKFRSA-N 0 0 372.505 3.955 50 30 FHEARN CCc1c(C)sc(NC(=O)COCc2cc(-c3ccco3)on2)c1C#N ZINC000006876677 571319633 /nfs/dbraw/zinc/31/96/33/571319633.db2.gz ZVVKKFHXVJDJJM-UHFFFAOYSA-N 0 0 371.418 3.894 50 30 FHEARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3C#N)CC2=O)cc1Cl ZINC000008218546 571320160 /nfs/dbraw/zinc/32/01/60/571320160.db2.gz MNSFQXRZWKZAKF-AWEZNQCLSA-N 0 0 353.809 3.512 50 30 FHEARN CC(C)(C)OC(=O)N1CC[C@H](Nc2ccc(C#N)c(C(F)(F)F)c2)C1 ZINC000078619942 571321395 /nfs/dbraw/zinc/32/13/95/571321395.db2.gz MVZCTHVFKWFLAO-ZDUSSCGKSA-N 0 0 355.360 3.998 50 30 FHEARN COc1ccccc1-c1nc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)n[nH]1 ZINC000055248179 571321473 /nfs/dbraw/zinc/32/14/73/571321473.db2.gz HYSDAHIFSBXQTL-MRXNPFEDSA-N 0 0 363.377 3.586 50 30 FHEARN N#Cc1c2c(sc1NC(=O)CSc1nncs1)CCCCCC2 ZINC000079124072 571321534 /nfs/dbraw/zinc/32/15/34/571321534.db2.gz LOHIHEYTMBAGPA-UHFFFAOYSA-N 0 0 364.521 3.861 50 30 FHEARN CN1CCc2c(C#N)c(N3CCCCC3)nc(NCc3ccccc3)c2C1 ZINC000013116108 571323083 /nfs/dbraw/zinc/32/30/83/571323083.db2.gz BGTVSCUIMOUGOF-UHFFFAOYSA-N 0 0 361.493 3.544 50 30 FHEARN Cc1cc(SCC(=O)NCC(C)C)n2c3ccccc3nc2c1C#N ZINC000013286735 571323178 /nfs/dbraw/zinc/32/31/78/571323178.db2.gz ZTTWDVKVITVSGR-UHFFFAOYSA-N 0 0 352.463 3.532 50 30 FHEARN O=C(Nc1cnc2c(Br)cccn12)c1cccnc1Cl ZINC000328591850 571323540 /nfs/dbraw/zinc/32/35/40/571323540.db2.gz VAWLNPLTVNEOGY-UHFFFAOYSA-N 0 0 351.591 3.782 50 30 FHEARN N#Cc1cc(Br)ccc1NCCOc1ccc2c(c1)OCO2 ZINC000095398714 571329328 /nfs/dbraw/zinc/32/93/28/571329328.db2.gz OPDXAZLTUUPHHY-UHFFFAOYSA-N 0 0 361.195 3.540 50 30 FHEARN COc1ccccc1-c1nc(NC(=O)Cc2cc(F)c(F)cc2F)n[nH]1 ZINC000095474790 571330795 /nfs/dbraw/zinc/33/07/95/571330795.db2.gz IBACUBNSLIDGJG-UHFFFAOYSA-N 0 0 362.311 3.728 50 30 FHEARN CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)Nc1nc[nH]n1 ZINC000095476314 571330869 /nfs/dbraw/zinc/33/08/69/571330869.db2.gz XRZCXMQRBYNQPQ-NSHDSACASA-N 0 0 355.225 3.912 50 30 FHEARN CC(C)Sc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)SC2 ZINC000020813749 571331719 /nfs/dbraw/zinc/33/17/19/571331719.db2.gz QKGLFPVXENPUSF-UHFFFAOYSA-N 0 0 363.552 3.858 50 30 FHEARN N#CCCSc1ccccc1NC(=O)CCc1ccc2c(c1)OCO2 ZINC000095953569 571332782 /nfs/dbraw/zinc/33/27/82/571332782.db2.gz UFXDRABFEGNTIV-UHFFFAOYSA-N 0 0 354.431 3.992 50 30 FHEARN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000002616312 571339187 /nfs/dbraw/zinc/33/91/87/571339187.db2.gz QJGAABRWIKGZIU-JOCHJYFZSA-N 0 0 361.445 3.823 50 30 FHEARN CCN(C[C@@H]1CCOC1)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000056982637 571342259 /nfs/dbraw/zinc/34/22/59/571342259.db2.gz ANXPZZZNWADQJE-KRWDZBQOSA-N 0 0 364.445 3.636 50 30 FHEARN Cc1cccn2c(=O)c(C=Nc3ccccc3)c(NCc3ccco3)nc12 ZINC000254738186 571342295 /nfs/dbraw/zinc/34/22/95/571342295.db2.gz LRSZXQVABVJWTN-UHFFFAOYSA-N 0 0 358.401 3.959 50 30 FHEARN C#CCCn1c(-c2ccc3c(c2)COC3)csc1=Nc1cnn(CC)c1 ZINC000254758903 571342791 /nfs/dbraw/zinc/34/27/91/571342791.db2.gz NLDLDVHNSSQTBF-UHFFFAOYSA-N 0 0 364.474 3.719 50 30 FHEARN O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc2c(c1)OCO2 ZINC000002994358 571343362 /nfs/dbraw/zinc/34/33/62/571343362.db2.gz SVZBIZXAGNXFAT-NVNXTCNLSA-N 0 0 358.806 3.960 50 30 FHEARN CC1(C)CC(=O)C(=Cc2cn(CCC#N)nc2-c2ccc(F)cc2)C(=O)C1 ZINC000003188443 571345302 /nfs/dbraw/zinc/34/53/02/571345302.db2.gz LHIXRJPHIMXKHP-UHFFFAOYSA-N 0 0 365.408 3.944 50 30 FHEARN N#Cc1ccc(Cl)cc1NC(=O)CSc1nncn1-c1ccccc1 ZINC000003291502 571346735 /nfs/dbraw/zinc/34/67/35/571346735.db2.gz JBKZKTLSGIDNID-UHFFFAOYSA-N 0 0 369.837 3.523 50 30 FHEARN N#Cc1ccccc1NC(=O)CSc1nccn1CCc1ccccc1 ZINC000004013949 571353923 /nfs/dbraw/zinc/35/39/23/571353923.db2.gz AZDGRLSRUUOPJC-UHFFFAOYSA-N 0 0 362.458 3.728 50 30 FHEARN CON=CNc1nc2nccc(-c3ccc(Oc4ccccc4)cc3)n2n1 ZINC000004041482 571354458 /nfs/dbraw/zinc/35/44/58/571354458.db2.gz WCECCZMWIVSDSX-UHFFFAOYSA-N 0 0 360.377 3.585 50 30 FHEARN CO/N=C/[C@H](C#N)c1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F ZINC000004050656 571354520 /nfs/dbraw/zinc/35/45/20/571354520.db2.gz MWZIZKAVTWFVKL-SNEVESSPSA-N 0 0 362.233 3.907 50 30 FHEARN CC(C)(C)c1ccc(C(=O)CCCN2CCn3nc(C#N)cc3C2)cc1 ZINC000670456864 571354753 /nfs/dbraw/zinc/35/47/53/571354753.db2.gz DGIYZOHEWMWDDW-UHFFFAOYSA-N 0 0 350.466 3.531 50 30 FHEARN O=C(/C=C/N1CCC[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1)C(F)(F)F ZINC000004119705 571355583 /nfs/dbraw/zinc/35/55/83/571355583.db2.gz XSGHPWWFLHERDM-HOSRBBHYSA-N 0 0 364.726 3.527 50 30 FHEARN Cc1[nH][nH]c(=O)c1[C@H](c1cccc(OCc2ccccc2)c1)C(C#N)C#N ZINC000005210447 938996165 /nfs/dbraw/zinc/99/61/65/938996165.db2.gz MAQRSTLJWKUHEH-HXUWFJFHSA-N 0 0 358.401 3.798 50 30 FHEARN O=C(NCCc1nc2c(s1)CCCC2)N1CCOC[C@@H]1c1ccccc1 ZINC000329022435 942241515 /nfs/dbraw/zinc/24/15/15/942241515.db2.gz IHVYSDSKIHRMMX-QGZVFWFLSA-N 0 0 371.506 3.552 50 30 FHEARN C=C[C@@H]1CCCCN1CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000330202328 944344498 /nfs/dbraw/zinc/34/44/98/944344498.db2.gz ZDQUQNFSVAKUBF-LJQANCHMSA-N 0 0 361.530 3.555 50 30 FHEARN Cc1cc(NC(=O)NCC2CCC(C#N)CC2)nn1-c1ccccc1Cl ZINC000331701218 944516948 /nfs/dbraw/zinc/51/69/48/944516948.db2.gz VWDHQHBOVIDQSC-UHFFFAOYSA-N 0 0 371.872 3.708 50 30 FHEARN CO[C@@H]1CCN(C(=O)N[C@H](C)COc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000331266192 947373103 /nfs/dbraw/zinc/37/31/03/947373103.db2.gz IBHWXCQSGALCBA-HZSPNIEDSA-N 0 0 374.403 3.886 50 30 FHEARN Cc1c2ccc(NC(=O)N3CCc4c(CC#N)cccc4C3)cc2nn1C ZINC000888100311 948439577 /nfs/dbraw/zinc/43/95/77/948439577.db2.gz QJYWPXHXXUNDKA-UHFFFAOYSA-N 0 0 359.433 3.538 50 30 FHEARN O=S(=O)(NN=C1CCCCCCC1)c1ccc(Br)cc1 ZINC000000673305 210261028 /nfs/dbraw/zinc/26/10/28/210261028.db2.gz KOAZPFLKASKSTJ-UHFFFAOYSA-N 0 0 359.289 3.828 50 30 FHEARN O=C1c2ccccc2N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)N1O ZINC000000651712 210258519 /nfs/dbraw/zinc/25/85/19/210258519.db2.gz QXURFQSYEYFVLP-QGZVFWFLSA-N 0 0 351.318 3.811 50 30 aggregator FHEARN COc1ccc(-c2c(C)sc(NC(=O)c3ccnn3C)c2C#N)cc1 ZINC000000648319 210257845 /nfs/dbraw/zinc/25/78/45/210257845.db2.gz QPSQPHLXEVIHPZ-UHFFFAOYSA-N 0 0 352.419 3.590 50 30 FHEARN CSc1nc(Oc2ccc(Cl)cc2C)cc(-n2ncc(C#N)c2N)n1 ZINC000000644455 210256018 /nfs/dbraw/zinc/25/60/18/210256018.db2.gz GCBAGZYSZAJWBL-UHFFFAOYSA-N 0 0 372.841 3.592 50 30 FHEARN COc1ccc(Nc2oc(COc3ccccc3OC)nc2C#N)cc1 ZINC000000646630 210255608 /nfs/dbraw/zinc/25/56/08/210255608.db2.gz YRCNNISBIIASHD-UHFFFAOYSA-N 0 0 351.362 3.886 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1COCc1ccccc1 ZINC000000628793 210253255 /nfs/dbraw/zinc/25/32/55/210253255.db2.gz KUTCMKRTWOJQHK-MRXNPFEDSA-N 0 0 369.461 3.513 50 30 FHEARN COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)c1 ZINC000000625724 210252491 /nfs/dbraw/zinc/25/24/91/210252491.db2.gz QNEUPCNQCCWOOI-LJQANCHMSA-N 0 0 355.434 3.615 50 30 FHEARN C/C=C/c1ccc(OCC(=O)N(C)Cc2cccc(C#N)c2)c(OC)c1 ZINC000025101325 210237489 /nfs/dbraw/zinc/23/74/89/210237489.db2.gz FAXXKPQSEGZZAC-GQCTYLIASA-N 0 0 350.418 3.637 50 30 FHEARN CC[NH+](CC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(OC)cc1)O2 ZINC000020624349 210237376 /nfs/dbraw/zinc/23/73/76/210237376.db2.gz HJASBTALPVQHNR-UNOMPAQXSA-N 0 0 353.418 3.859 50 30 FHEARN C[C@@H]1C[C@@H](C)C[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2cccnc2)O3)C1 ZINC000020518056 210236125 /nfs/dbraw/zinc/23/61/25/210236125.db2.gz CFUSTWQYPPFZOG-VIZFDEMNSA-N 0 0 364.445 3.881 50 30 FHEARN Cc1cc([O-])c(C[NH+]2CCC(C)CC2)c2c1C(=O)/C(=C/c1ccncc1)O2 ZINC000020572878 210236159 /nfs/dbraw/zinc/23/61/59/210236159.db2.gz ZXNXXSUWBGGOEH-UNOMPAQXSA-N 0 0 364.445 3.944 50 30 FHEARN Cc1cc(C)c(C#N)c(SCc2cc(=O)oc3c(C)c(O)ccc23)n1 ZINC000010266852 210233447 /nfs/dbraw/zinc/23/34/47/210233447.db2.gz SFEFWJZRJQELQU-UHFFFAOYSA-N 0 0 352.415 3.983 50 30 FHEARN COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O ZINC000005897197 210231784 /nfs/dbraw/zinc/23/17/84/210231784.db2.gz OQWJPAYXKRJILU-PKSBALPTSA-N 0 0 358.777 3.897 50 30 FHEARN COC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc(OC)cc1)C2=O ZINC000006073994 210231528 /nfs/dbraw/zinc/23/15/28/210231528.db2.gz VSSBZPALBIVFAK-NCUBORBFSA-N 0 0 368.385 3.560 50 30 biogenic FHEARN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N/NC(N)=S ZINC000004082589 210229203 /nfs/dbraw/zinc/22/92/03/210229203.db2.gz LYALGFDSSRNLPA-MNPUUQJQSA-N 0 0 363.571 3.579 50 30 biogenic FHEARN O=C1c2ccc([O-])c(C[NH+]3CCCC3)c2O/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000002346778 210226164 /nfs/dbraw/zinc/22/61/64/210226164.db2.gz FZJSFDVRFIWFHY-WQRHYEAKSA-N 0 0 366.373 3.512 50 30 FHEARN C=CCNC(=O)COc1ncnc2scc(-c3ccc(Cl)cc3)c21 ZINC000078224900 210213059 /nfs/dbraw/zinc/21/30/59/210213059.db2.gz GSGROLQKHKADKG-UHFFFAOYSA-N 0 0 359.838 3.693 50 30 FHEARN C=CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CC2)[C@H]1c1cccc(C)c1 ZINC000034924180 210171262 /nfs/dbraw/zinc/17/12/62/210171262.db2.gz HANRJDBXRAAHNM-RTWAWAEBSA-N 0 0 360.457 3.740 50 30 FHEARN C=CCOc1cccn2c1nc(C)c(-c1cc(C)n(-c3ccccc3)n1)c2=O ZINC000035911281 210170603 /nfs/dbraw/zinc/17/06/03/210170603.db2.gz WRWOPYVITJFRQX-UHFFFAOYSA-N 0 0 372.428 3.729 50 30 FHEARN C=CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CC2)[C@@H]1c1cccc(C)c1 ZINC000034924181 210169547 /nfs/dbraw/zinc/16/95/47/210169547.db2.gz HANRJDBXRAAHNM-LEWJYISDSA-N 0 0 360.457 3.740 50 30 FHEARN C=CCN1c2ccc(C)cc2[C@@]2(CC(=O)Nc3c2cnn3C(C)(C)C)C1=O ZINC000032096573 210168573 /nfs/dbraw/zinc/16/85/73/210168573.db2.gz LKQKWKHSYDHIBT-OAQYLSRUSA-N 0 0 364.449 3.757 50 30 FHEARN C#CCSc1nc2c(c(=O)n1C)C1(CCCCC1)Cc1ccccc1-2 ZINC000002117659 210150127 /nfs/dbraw/zinc/15/01/27/210150127.db2.gz QIAHJBUKSVCWRZ-UHFFFAOYSA-N 0 0 350.487 3.931 50 30 biogenic FHEARN C=CCN(c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)S(C)(=O)=O ZINC000000667723 210148395 /nfs/dbraw/zinc/14/83/95/210148395.db2.gz GBZDWZQSOQOAJD-UHFFFAOYSA-N 0 0 364.854 3.544 50 30 FHEARN C=CCN1c2ccc(Cl)cc2[C@](O)(CC(=O)c2ccc(C)cc2)C1=O ZINC000001320485 210147701 /nfs/dbraw/zinc/14/77/01/210147701.db2.gz USLVDJSHDUCUQT-HXUWFJFHSA-N 0 0 355.821 3.642 50 30 FHEARN C#CCCOc1cc(-c2ccc(C)s2)cc2c1OCCN(C(C)=O)C2 ZINC000014957037 210146259 /nfs/dbraw/zinc/14/62/59/210146259.db2.gz MVQFBXPZVGEHSX-UHFFFAOYSA-N 0 0 355.459 3.867 50 30 FHEARN C#CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccccc1 ZINC000014303014 210143315 /nfs/dbraw/zinc/14/33/15/210143315.db2.gz CXVHQTPOBPZYPH-UHFFFAOYSA-N 0 0 366.424 3.510 50 30 FHEARN C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)C(C)C ZINC000012407401 210140533 /nfs/dbraw/zinc/14/05/33/210140533.db2.gz HRQMBLGPQXUSLB-UHFFFAOYSA-N 0 0 360.479 3.718 50 30 FHEARN C=CCn1c(C)nnc1S[C@H](C)C(=O)c1ccc(NC(=O)C(C)C)cc1 ZINC000008572275 210135350 /nfs/dbraw/zinc/13/53/50/210135350.db2.gz VEFJZZYARZSOGN-CYBMUJFWSA-N 0 0 372.494 3.731 50 30 FHEARN C=CCNC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc32)n1C1CC1 ZINC000007872829 210126827 /nfs/dbraw/zinc/12/68/27/210126827.db2.gz SSXLGZBOPGGONP-LBPRGKRZSA-N 0 0 367.478 3.544 50 30 FHEARN C=CCSc1ccccc1NS(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000007709641 210125890 /nfs/dbraw/zinc/12/58/90/210125890.db2.gz KAWHBFZXVBUVIP-UHFFFAOYSA-N 0 0 362.476 3.724 50 30 FHEARN C=CCSc1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000006589134 210108050 /nfs/dbraw/zinc/10/80/50/210108050.db2.gz KYWZEGCQXILPKC-UHFFFAOYSA-N 0 0 356.816 3.630 50 30 FHEARN C=CCNC(=O)C1CCC(CNc2[nH]c(=S)nc3ccccc32)CC1 ZINC000006947490 210108122 /nfs/dbraw/zinc/10/81/22/210108122.db2.gz JPDNAFYBBAAIBI-UHFFFAOYSA-N 0 0 356.495 3.813 50 30 FHEARN C=CCOC(=O)c1scc(S(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000004344780 210104003 /nfs/dbraw/zinc/10/40/03/210104003.db2.gz CPSNPSXHTLBBOK-UHFFFAOYSA-N 0 0 356.852 3.886 50 30 FHEARN C=CCN1C(=O)S/C(=C/c2ccc(I)cc2)C1=O ZINC000004472285 210103862 /nfs/dbraw/zinc/10/38/62/210103862.db2.gz MWKQQMVCXVLYKT-DHZHZOJOSA-N 0 0 371.199 3.514 50 30 FHEARN C=CCn1cc([C@@H]2CC(=O)N(c3ccccc3OC)C2=O)c2ccccc21 ZINC000101370301 210103302 /nfs/dbraw/zinc/10/33/02/210103302.db2.gz RFTOHLOWHUFXMP-INIZCTEOSA-N 0 0 360.413 3.883 50 30 FHEARN C=CCNC(=O)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F ZINC000005200917 210105505 /nfs/dbraw/zinc/10/55/05/210105505.db2.gz BZGLCJUXMFHTGK-JQWIXIFHSA-N 0 0 356.373 3.521 50 30 FHEARN C#CCOc1ccc([C@H]2CC(=O)Nc3c2cnn3-c2ccc(C)cc2)cc1 ZINC000065331553 210099815 /nfs/dbraw/zinc/09/98/15/210099815.db2.gz AZFUFMQXCBCEKL-LJQANCHMSA-N 0 0 357.413 3.667 50 30 FHEARN CC(C)(O)C#Cc1ccc(-c2c(-c3ccccc3)ncn2CCCO)cc1 ZINC000065451118 210099788 /nfs/dbraw/zinc/09/97/88/210099788.db2.gz AJBOMJRCOMIIHH-UHFFFAOYSA-N 0 0 360.457 3.722 50 30 FHEARN C=C[C@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl ZINC000095965020 210089496 /nfs/dbraw/zinc/08/94/96/210089496.db2.gz NRBMRYAZNDYXLT-LIRRHRJNSA-N 0 0 368.864 3.598 50 30 FHEARN C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)c1nnc2nc(C)cc(C)n21 ZINC000055402810 210068623 /nfs/dbraw/zinc/06/86/23/210068623.db2.gz OWNLWHBVRYWCOI-MOPGFXCFSA-N 0 0 373.460 3.829 50 30 FHEARN Cc1noc([C@@H]2CCCCN2C(=O)c2cccc(-c3cccnc3C#N)c2)n1 ZINC000299761330 210010682 /nfs/dbraw/zinc/01/06/82/210010682.db2.gz JHJKXMKJIWWYSO-IBGZPJMESA-N 0 0 373.416 3.679 50 30 FHEARN N#Cc1cn(CC(=O)Nc2ccc(Br)cc2)c2ccccc12 ZINC000000678641 219312383 /nfs/dbraw/zinc/31/23/83/219312383.db2.gz IWCQOHQTZKNGMF-UHFFFAOYSA-N 0 0 354.207 3.914 50 30 FHEARN CC(=O)N1CCCN(Cc2ncc(-c3ccc(C#N)cc3)o2)c2ccccc21 ZINC000225438126 222841591 /nfs/dbraw/zinc/84/15/91/222841591.db2.gz CWKDWCPGMVDVOL-UHFFFAOYSA-N 0 0 372.428 3.976 50 30 FHEARN Cc1ccc(-c2nc3n(n2)[C@H](c2cccnc2)C2C(=O)CCCC2=N3)cc1 ZINC000004189664 219553968 /nfs/dbraw/zinc/55/39/68/219553968.db2.gz KRXRSEFQAOJBLC-LJQANCHMSA-N 0 0 357.417 3.671 50 30 FHEARN O=C(C1=C(O)C(=O)O[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000008513441 219863703 /nfs/dbraw/zinc/86/37/03/219863703.db2.gz ISLPXIXVPYLXIU-MRXNPFEDSA-N 0 0 359.721 3.541 50 30 FHEARN Cc1nc(NC(=O)[C@H](C)n2cnc3ccccc32)sc1SCC#N ZINC000053650686 211919370 /nfs/dbraw/zinc/91/93/70/211919370.db2.gz JDHMMCNTJSJKEB-NSHDSACASA-N 0 0 357.464 3.617 50 30 FHEARN C=CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccccc1 ZINC000003563090 211746484 /nfs/dbraw/zinc/74/64/84/211746484.db2.gz SXRAEHYAICIIJA-WBVHZDCISA-N 0 0 370.522 3.918 50 30 FHEARN Cc1cc(OCc2ccc(C=NN3C(=S)N=NC3C)o2)ccc1Cl ZINC000036611110 211669571 /nfs/dbraw/zinc/66/95/71/211669571.db2.gz OCWGSGWCRHKMCX-QGMBQPNBSA-N 0 0 362.842 3.891 50 30 FHEARN N#Cc1ccc(C(=O)N2CCC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1 ZINC000033275941 211596335 /nfs/dbraw/zinc/59/63/35/211596335.db2.gz GGACVXGCEDLCRB-SFHVURJKSA-N 0 0 358.401 3.628 50 30 FHEARN CSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1C(=O)C[C@H](C)CC1=N2 ZINC000022608291 211356381 /nfs/dbraw/zinc/35/63/81/211356381.db2.gz FULOESUDTYECLY-PSLIRLAXSA-N 0 0 360.870 3.921 50 30 FHEARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)CC(C)(C)C3)cc1O ZINC000021660315 211321758 /nfs/dbraw/zinc/32/17/58/211321758.db2.gz RFWZSVDGEOXBLH-KRWDZBQOSA-N 0 0 354.406 3.898 50 30 FHEARN NC(=NS(=O)(=O)c1cc(Cl)sc1Cl)c1ccc(Cl)cc1 ZINC000020421200 211279999 /nfs/dbraw/zinc/27/99/99/211279999.db2.gz QSSFTTZHIKNXBW-UHFFFAOYSA-N 0 0 369.682 3.803 50 30 FHEARN COC(=O)C1=C(C)NC(=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)C1=O ZINC000019859112 211259657 /nfs/dbraw/zinc/25/96/57/211259657.db2.gz AUKQVYVPZAMOSW-MFOYZWKCSA-N 0 0 370.836 3.708 50 30 FHEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccnc2)C2=C(CCCC2=O)N1 ZINC000019790760 211255117 /nfs/dbraw/zinc/25/51/17/211255117.db2.gz SZVQRCCJPPUGTQ-HXUWFJFHSA-N 0 0 366.461 3.925 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(F)c1 ZINC000019314471 211214443 /nfs/dbraw/zinc/21/44/43/211214443.db2.gz KBXZHDKWLJGXJY-GOSISDBHSA-N 0 0 357.425 3.993 50 30 FHEARN Cc1cc(C)nc(N=NCC2C(=O)CC(c3ccc(F)cc3)CC2=O)n1 ZINC000018354703 211197587 /nfs/dbraw/zinc/19/75/87/211197587.db2.gz UWJSHNXLMLDXFZ-MNUWJXFPSA-N 0 0 354.385 3.589 50 30 FHEARN O=C1N/C(=N/N=C/c2ccc(Br)cc2)S[C@@H]1c1ccccc1 ZINC000018323503 211197158 /nfs/dbraw/zinc/19/71/58/211197158.db2.gz FNAWFUVYZDQEOE-YFEUJDIGSA-N 0 0 374.263 3.743 50 30 FHEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@H]2c1ccnc2ccccc21 ZINC000018200764 211195115 /nfs/dbraw/zinc/19/51/15/211195115.db2.gz HFGURFLSVGKEPR-INIZCTEOSA-N 0 0 360.417 3.864 50 30 FHEARN Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccccc2)n1 ZINC000018067686 211190722 /nfs/dbraw/zinc/19/07/22/211190722.db2.gz WXFWYEUEBIQUDN-NRFANRHFSA-N 0 0 373.456 3.997 50 30 FHEARN C[C@@H](Oc1ccc(C(C)(C)C)cc1)c1ccnc2nc(/N=C/N(C)C)nn21 ZINC000017995374 211188410 /nfs/dbraw/zinc/18/84/10/211188410.db2.gz XXJZXWHJOWHGRD-CYGNYLSHSA-N 0 0 366.469 3.783 50 30 FHEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COc1ccc2c(c1)OCO2 ZINC000017511741 211185701 /nfs/dbraw/zinc/18/57/01/211185701.db2.gz LDQQTSNLIWMABB-JMIUGGIZSA-N 0 0 351.402 3.675 50 30 aggregator FHEARN COc1cc2c(cc1OC)[C@@H](c1ccc([N+](=O)[O-])o1)C1=C(CCCC1=O)N2 ZINC000018197487 211193836 /nfs/dbraw/zinc/19/38/36/211193836.db2.gz OWQZKVKTZHVJPX-SFHVURJKSA-N 0 0 370.361 3.770 50 30 FHEARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3ccccc3F)C12 ZINC000018197378 211193767 /nfs/dbraw/zinc/19/37/67/211193767.db2.gz UYKUWYUJIRPQRY-VOJFVSQTSA-N 0 0 366.421 3.894 50 30 FHEARN CCN(CC)c1ccc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CCC3)cc1 ZINC000018195528 211193182 /nfs/dbraw/zinc/19/31/82/211193182.db2.gz HOLKFDVAPUELIM-INIZCTEOSA-N 0 0 352.438 3.526 50 30 FHEARN CC(=O)Oc1ccccc1N(/C=C1\Sc2ccccc2C1=O)C(C)=O ZINC000018143652 211192661 /nfs/dbraw/zinc/19/26/61/211192661.db2.gz FYMAWNKPKXJSSG-WQRHYEAKSA-N 0 0 353.399 3.795 50 30 FHEARN C=CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(N(C)C)cc1 ZINC000016742397 211168126 /nfs/dbraw/zinc/16/81/26/211168126.db2.gz VTLYISGSEXWZQZ-QGZVFWFLSA-N 0 0 368.458 3.578 50 30 FHEARN COc1cc(C#N)ccc1OC(=O)Cc1csc(-c2ccc(F)cc2)n1 ZINC000015355895 211127659 /nfs/dbraw/zinc/12/76/59/211127659.db2.gz YALBNMWBWHDCNE-UHFFFAOYSA-N 0 0 368.389 3.978 50 30 FHEARN N#Cc1c(COC(=O)C2=Cc3cc(Cl)ccc3OC2)cn2ccccc12 ZINC000014854444 211101936 /nfs/dbraw/zinc/10/19/36/211101936.db2.gz ZCDABICGAOPETB-UHFFFAOYSA-N 0 0 364.788 3.984 50 30 FHEARN COc1ccc(Cl)cc1CN1C(=O)CS/C1=C\C(=O)C(C)(C)C ZINC000014305508 211091028 /nfs/dbraw/zinc/09/10/28/211091028.db2.gz GTLGOQDCWLQRPH-PXNMLYILSA-N 0 0 353.871 3.881 50 30 FHEARN CCn1c(Sc2ccc(C#N)cc2[N+](=O)[O-])nnc1-c1cccs1 ZINC000014198421 211084366 /nfs/dbraw/zinc/08/43/66/211084366.db2.gz XDLUILSMVKGODI-UHFFFAOYSA-N 0 0 357.420 3.958 50 30 FHEARN C[C@@H]1CN(C(=O)c2ccccc2Sc2ccccc2C#N)C[C@H](C)O1 ZINC000013153417 211026947 /nfs/dbraw/zinc/02/69/47/211026947.db2.gz JOHLRDQAOQGMSI-GASCZTMLSA-N 0 0 352.459 3.959 50 30 FHEARN CC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccccc1OCc1ccccc1 ZINC000013125223 211024640 /nfs/dbraw/zinc/02/46/40/211024640.db2.gz WEFIGTVIYCQERC-FQEVSTJZSA-N 0 0 360.417 3.735 50 30 FHEARN CC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000013132251 211024409 /nfs/dbraw/zinc/02/44/09/211024409.db2.gz AEHRBTXSWXTXRN-HXUWFJFHSA-N 0 0 360.417 3.735 50 30 aggregator FHEARN COc1ccc(OC)c([C@H]2CCCN2C(=O)/C=C/c2ccccc2C#N)c1 ZINC000012987279 211015414 /nfs/dbraw/zinc/01/54/14/211015414.db2.gz SRCPVOHSYLLFLS-RGFVMQALSA-N 0 0 362.429 3.952 50 30 FHEARN Cc1cccc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)n1 ZINC000012882338 211002050 /nfs/dbraw/zinc/00/20/50/211002050.db2.gz KXMBRDWMHUHPBE-UHFFFAOYSA-N 0 0 367.459 3.658 50 30 FHEARN COc1ccc(/C=C2\S/C(=N\c3ccccc3C)NC2=O)cc1OC ZINC000012032529 210908455 /nfs/dbraw/zinc/90/84/55/210908455.db2.gz HRDTYNVHLMQRMO-BOPFTXTBSA-N 0 0 354.431 3.904 50 30 FHEARN COc1ccc(NC=C2C(=O)c3ccccc3O[C@]2(O)C(F)(F)F)cc1 ZINC000009060755 210813954 /nfs/dbraw/zinc/81/39/54/210813954.db2.gz LABLDYRDMJRUTP-QXSWTLKVSA-N 0 0 365.307 3.517 50 30 FHEARN C[C@H](Sc1nnc(CCC2CCCC2)[nH]1)C(=O)Nc1ccc(C#N)cc1 ZINC000008727418 210800125 /nfs/dbraw/zinc/80/01/25/210800125.db2.gz ZUSGCHQYZRJPEG-ZDUSSCGKSA-N 0 0 369.494 3.918 50 30 FHEARN Cc1c(C)n(C2CCCC2)c(NC(=O)CSc2ncccn2)c1C#N ZINC000008709305 210797695 /nfs/dbraw/zinc/79/76/95/210797695.db2.gz GHLUXDDKKPQIIA-UHFFFAOYSA-N 0 0 355.467 3.613 50 30 FHEARN Cc1ccccc1Nc1nc(N)nc(CSCc2ccc(C#N)cc2)n1 ZINC000008161695 210772199 /nfs/dbraw/zinc/77/21/99/210772199.db2.gz HNLJAYBWGFCLMN-UHFFFAOYSA-N 0 0 362.462 3.811 50 30 FHEARN COCCn1c(C)cc(C2=NN/C(=N\c3ccccc3F)SC2)c1C ZINC000005862661 210643922 /nfs/dbraw/zinc/64/39/22/210643922.db2.gz DHXSHESWLZVTEU-UHFFFAOYSA-N 0 0 360.458 3.619 50 30 FHEARN N#Cc1c2c(sc1NC(=O)CSc1nc3ccccc3[nH]1)CCC2 ZINC000005628325 210631717 /nfs/dbraw/zinc/63/17/17/210631717.db2.gz VRYPOKIZFPVDIW-UHFFFAOYSA-N 0 0 354.460 3.716 50 30 FHEARN N#CCCCSc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1 ZINC000005571319 210628957 /nfs/dbraw/zinc/62/89/57/210628957.db2.gz UONGRVDIMIYQAK-ZDUSSCGKSA-N 0 0 363.870 3.625 50 30 FHEARN N#Cc1ccccc1NC(=O)c1cccn(Cc2ccccc2Cl)c1=O ZINC000005269855 210610593 /nfs/dbraw/zinc/61/05/93/210610593.db2.gz BKOZFYNSJMHXKX-UHFFFAOYSA-N 0 0 363.804 3.674 50 30 FHEARN CC(C)CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccnc1 ZINC000005408130 210619646 /nfs/dbraw/zinc/61/96/46/210619646.db2.gz SMDVWCMQSHYOCE-QGZVFWFLSA-N 0 0 370.836 3.969 50 30 FHEARN N=C(NOC(=O)c1ccccc1Br)c1ccc(Cl)cc1 ZINC000005112033 210600502 /nfs/dbraw/zinc/60/05/02/210600502.db2.gz ZFQOAPSEQFMEIH-UHFFFAOYSA-N 0 0 353.603 3.580 50 30 FHEARN O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000004914105 210579180 /nfs/dbraw/zinc/57/91/80/210579180.db2.gz AFZFNIMBAMPYFQ-OCCSQVGLSA-N 0 0 368.414 3.661 50 30 FHEARN CCCOc1cc(Cl)c([C@@H]2NC(=O)NC(C)=C2C(C)=O)cc1OCC ZINC000004503827 210534041 /nfs/dbraw/zinc/53/40/41/210534041.db2.gz XZJBUYDXJRDQDN-KRWDZBQOSA-N 0 0 366.845 3.744 50 30 FHEARN COC(=O)c1ccc(/C=C2/S/C(=N/c3cccc(C)c3)NC2=O)cc1 ZINC000004470312 210531493 /nfs/dbraw/zinc/53/14/93/210531493.db2.gz OWPLUBDSIQPNIR-LFIBNONCSA-N 0 0 352.415 3.673 50 30 FHEARN Cc1nc2nc(C#N)c(C#N)n2c(C)c1Cc1c(Cl)cccc1Cl ZINC000004023788 210504552 /nfs/dbraw/zinc/50/45/52/210504552.db2.gz NYCBODPQDXTFJF-UHFFFAOYSA-N 0 0 356.216 3.987 50 30 FHEARN COC[C@@H](C)n1c(SCc2ccccc2C#N)nc2ccccc2c1=O ZINC000003542481 210485916 /nfs/dbraw/zinc/48/59/16/210485916.db2.gz VWNIXMFYYSWQJX-CQSZACIVSA-N 0 0 365.458 3.768 50 30 FHEARN CC(=O)c1cc(C#N)c(SCC(=O)Nc2ccc(C)c(C)c2)nc1C ZINC000003418721 210476055 /nfs/dbraw/zinc/47/60/55/210476055.db2.gz PMMKJHZWHRYNBG-UHFFFAOYSA-N 0 0 353.447 3.812 50 30 FHEARN NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1Cc1ccco1 ZINC000003187140 210454647 /nfs/dbraw/zinc/45/46/47/210454647.db2.gz ALUFFCOZYZAAOR-UHFFFAOYSA-N 0 0 371.849 3.769 50 30 FHEARN CCCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N(CC)CC ZINC000002303076 210390855 /nfs/dbraw/zinc/39/08/55/210390855.db2.gz WJBOQQZSUGHHEO-INIZCTEOSA-N 0 0 367.497 3.780 50 30 FHEARN CN1CCN(c2oc(-c3ccc(OCc4ccccc4)cc3)nc2C#N)CC1 ZINC000002421444 210397677 /nfs/dbraw/zinc/39/76/77/210397677.db2.gz IVCNJSJNRODFAW-UHFFFAOYSA-N 0 0 374.444 3.544 50 30 FHEARN C#CCO[S@](=O)O[C@@H]1CCCC[C@@H]1Oc1ccc(C(C)(C)C)cc1 ZINC000002038701 210376870 /nfs/dbraw/zinc/37/68/70/210376870.db2.gz ZYHMJXZULPZUED-HOOSLVGPSA-N 0 0 350.480 3.919 50 30 in-vitro FHEARN Cc1ccc2[nH]c3c(nc(C)n(/N=C/c4ccc5ccccc5n4)c3=O)c2c1 ZINC000002206382 210383648 /nfs/dbraw/zinc/38/36/48/210383648.db2.gz IIRWGWADYYPOOX-FSJBWODESA-N 0 0 367.412 3.925 50 30 FHEARN N#Cc1c(SCC(N)=O)nsc1SCc1ccc(Cl)cc1 ZINC000002190325 210383762 /nfs/dbraw/zinc/38/37/62/210383762.db2.gz RFDZPPVMTUCUSZ-UHFFFAOYSA-N 0 0 355.897 3.538 50 30 FHEARN C#CCOc1c(Cl)cc(C=C2C(=O)c3ccccc3C2=O)cc1OC ZINC000002123438 210379823 /nfs/dbraw/zinc/37/98/23/210379823.db2.gz VXWVGJDMPUZWOH-UHFFFAOYSA-N 0 0 352.773 3.823 50 30 FHEARN COc1c2c(c(C(=O)/C=C/c3ccc(C)cc3)c3c1CN(C)CC3)OCO2 ZINC000020112908 220313402 /nfs/dbraw/zinc/31/34/02/220313402.db2.gz GJNZTNYOBNYMLN-CMDGGOBGSA-N 0 0 365.429 3.616 50 30 FHEARN COc1cccc(-c2cc(-c3ccc(OC)c(OC)c3)c(C#N)c(N)n2)c1 ZINC000019879642 220304007 /nfs/dbraw/zinc/30/40/07/220304007.db2.gz PJUCAICNBKJFOS-UHFFFAOYSA-N 0 0 361.401 3.895 50 30 FHEARN Cc1ccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)cc1Cl ZINC000020000632 220308818 /nfs/dbraw/zinc/30/88/18/220308818.db2.gz NAYTUAASAPBXCA-UHFFFAOYSA-N 0 0 357.826 3.547 50 30 FHEARN COc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1OC ZINC000001473712 210356829 /nfs/dbraw/zinc/35/68/29/210356829.db2.gz HBJZKYAYKAKCRG-VXLYETTFSA-N 0 0 374.853 3.787 50 30 FHEARN CSc1ccc([C@@H]2CC(=O)N(N(C)C)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001427977 210351460 /nfs/dbraw/zinc/35/14/60/210351460.db2.gz BGACWAYXQVWCTC-HNNXBMFYSA-N 0 0 358.507 3.844 50 30 FHEARN COc1ccc(CSc2nc(N)nc(-c3cccs3)c2C#N)cc1 ZINC000001398220 210349478 /nfs/dbraw/zinc/34/94/78/210349478.db2.gz SCCJBQKMASXTGW-UHFFFAOYSA-N 0 0 354.460 3.960 50 30 FHEARN C[C@@H]1SC2=NC3=C(C(=O)c4ccccc43)[C@@H](c3ccccc3F)N2C1=O ZINC000001407017 210349430 /nfs/dbraw/zinc/34/94/30/210349430.db2.gz FTSPFNIYQMEXCJ-DYZYQPBXSA-N 0 0 364.401 3.808 50 30 FHEARN C=CCn1c(C)cc(-c2csc(NC(=O)c3ccc(=O)[nH]c3)n2)c1C ZINC000010255679 210346116 /nfs/dbraw/zinc/34/61/16/210346116.db2.gz ZRGAGTXJQRGEPE-UHFFFAOYSA-N 0 0 354.435 3.767 50 30 FHEARN S=C1N=NC(c2ccco2)N1N=Cc1ccc(Br)s1 ZINC000001253459 210339600 /nfs/dbraw/zinc/33/96/00/210339600.db2.gz GWNFRNHSIOCVTB-AWNIVKPZSA-N 0 0 355.242 3.533 50 30 FHEARN CCCC(=O)C1=C(N(C)c2ccccc2)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000001234020 210338035 /nfs/dbraw/zinc/33/80/35/210338035.db2.gz SRSDGAYLPAGFRJ-SFHVURJKSA-N 0 0 357.450 3.534 50 30 FHEARN COc1cccc(/C=N/n2c(=O)c3ccccc3nc2-c2ccccc2)c1 ZINC000001221308 210336389 /nfs/dbraw/zinc/33/63/89/210336389.db2.gz YBAANJOXEOVNBW-HZHRSRAPSA-N 0 0 355.397 3.954 50 30 FHEARN Cc1c(/C=N/n2cnnc2)c2ccccc2n1CCOc1ccc(C)cc1 ZINC000001168889 210329411 /nfs/dbraw/zinc/32/94/11/210329411.db2.gz UCCWIMVNJQKZNI-ZMOGYAJESA-N 0 0 359.433 3.811 50 30 FHEARN N#Cc1ccc(Oc2ccc(I)cc2)c([N+](=O)[O-])c1 ZINC000001170759 210329168 /nfs/dbraw/zinc/32/91/68/210329168.db2.gz VNOYTYSKQVOZAB-UHFFFAOYSA-N 0 0 366.114 3.863 50 30 FHEARN c1ccc(Nc2nc(N=NC3CCCCC3)nc(N3CCCC3)n2)cc1 ZINC000001105189 210316212 /nfs/dbraw/zinc/31/62/12/210316212.db2.gz PZQLWUQQYWQYLH-UHFFFAOYSA-N 0 0 351.458 3.947 50 30 FHEARN CCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OC)cc32)CCCC1=O ZINC000001076663 210312848 /nfs/dbraw/zinc/31/28/48/210312848.db2.gz ZSWPDWYBEXZWRU-UHFFFAOYSA-N 0 0 368.477 3.993 50 30 FHEARN Cn1cc(C(=O)O/N=C/c2c(Cl)cccc2Cl)c(C(F)(F)F)n1 ZINC000001026278 210303788 /nfs/dbraw/zinc/30/37/88/210303788.db2.gz BQSSHYRAWBFPQW-PTXOJBNSSA-N 0 0 366.126 3.937 50 30 FHEARN COC(=O)C1=C(Nc2ccccc2F)SC(=Cc2cccc(O)c2)C1=O ZINC000001002761 210300200 /nfs/dbraw/zinc/30/02/00/210300200.db2.gz IZRZOFAHFMDUMO-XNTDXEJSSA-N 0 0 371.389 3.685 50 30 FHEARN CCN(CC)c1ccc(/C=N/S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000000949464 210293443 /nfs/dbraw/zinc/29/34/43/210293443.db2.gz BTNGMQNFVYYQOA-CPNJWEJPSA-N 0 0 350.871 3.994 50 30 FHEARN COc1ccc([C@H]2N=C(c3ccccc3)C(C)(C)N2OC(C)=O)cc1OC ZINC000000863136 210283060 /nfs/dbraw/zinc/28/30/60/210283060.db2.gz ACOUXTNDPMCMPL-FQEVSTJZSA-N 0 0 368.433 3.764 50 30 FHEARN CC(O)=C1C(=O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1 ZINC000000836106 210279527 /nfs/dbraw/zinc/27/95/27/210279527.db2.gz ZPDBCSBRGPFHKZ-INIZCTEOSA-N 0 0 372.218 3.938 50 30 FHEARN Cn1ncc(C#N)c1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)on1 ZINC000000815149 210275523 /nfs/dbraw/zinc/27/55/23/210275523.db2.gz JQCYQGKFYUOMHO-UHFFFAOYSA-N 0 0 362.176 3.506 50 30 FHEARN O=C1C[C@@H](c2ccccc2)CC2=Nc3ncnn3[C@@H](c3ccccc3F)C12 ZINC000009361188 210274370 /nfs/dbraw/zinc/27/43/70/210274370.db2.gz DCOSWCVEFAJWSB-XOBRGWDASA-N 0 0 360.392 3.833 50 30 FHEARN CC[C@@H](C)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 ZINC000048344371 221009460 /nfs/dbraw/zinc/00/94/60/221009460.db2.gz SUHYLVAIKLVIKW-OAHLLOKOSA-N 0 0 350.418 3.793 50 30 FHEARN C=CCNc1nc(-c2nnc(-c3ccc(OC)cc3)o2)nc2ccccc21 ZINC000064969946 221159499 /nfs/dbraw/zinc/15/94/99/221159499.db2.gz NIRVXTHNUNEDPV-UHFFFAOYSA-N 0 0 359.389 3.953 50 30 FHEARN CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)c(C#N)c1 ZINC000065114217 221170011 /nfs/dbraw/zinc/17/00/11/221170011.db2.gz PDWOMDRXQDFVHO-UHFFFAOYSA-N 0 0 350.353 3.869 50 30 FHEARN CC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1cccc(Cl)c1 ZINC000067350851 221252951 /nfs/dbraw/zinc/25/29/51/221252951.db2.gz VNUNUFIKUZWUJM-UZYVYHOESA-N 0 0 356.765 3.717 50 30 FHEARN COc1cc(-c2c(C)c([C@H]3CCOC(C)(C)C3)nc(N)c2C#N)ccc1O ZINC000067787648 221285695 /nfs/dbraw/zinc/28/56/95/221285695.db2.gz JJLYYZWJAVERNL-AWEZNQCLSA-N 0 0 367.449 3.898 50 30 FHEARN CCN1CCN(C(=O)c2ccccc2SCc2ccc(C#N)cc2)CC1 ZINC000070711149 221334741 /nfs/dbraw/zinc/33/47/41/221334741.db2.gz SWBDEZLJESBKGY-UHFFFAOYSA-N 0 0 365.502 3.628 50 30 FHEARN N#Cc1c(N)nc(-c2ccc(F)cc2C(F)(F)F)cc1[C@H]1CCOC1 ZINC000071750973 221361825 /nfs/dbraw/zinc/36/18/25/221361825.db2.gz WEYRZTNCKUYHEP-VIFPVBQESA-N 0 0 351.303 3.864 50 30 FHEARN COc1ccc(-n2cc(-c3cc(-c4ccoc4)c(C#N)c(N)n3)cn2)cc1 ZINC000071759265 221366692 /nfs/dbraw/zinc/36/66/92/221366692.db2.gz WTXHNXSQXADZDD-UHFFFAOYSA-N 0 0 357.373 3.657 50 30 FHEARN CCOC(=O)N1CCN(CCC[C@](C#N)(c2ccccc2C)C(C)C)CC1 ZINC000071782651 221376504 /nfs/dbraw/zinc/37/65/04/221376504.db2.gz MKJGCXRAZMAYQK-JOCHJYFZSA-N 0 0 371.525 3.967 50 30 FHEARN C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)CC(C)C)n3)cc21 ZINC000019820169 132373804 /nfs/dbraw/zinc/37/38/04/132373804.db2.gz ICTIGIRJZZGQLY-UHFFFAOYSA-N 0 0 371.462 3.706 50 30 FHEARN C=CCN1c2cc(NC(=O)c3ccccc3OCCC)ccc2OCC1=O ZINC000032593390 132374305 /nfs/dbraw/zinc/37/43/05/132374305.db2.gz ZDIHOAJLTTXSEV-UHFFFAOYSA-N 0 0 366.417 3.639 50 30 FHEARN N#Cc1c2c(sc1-n1cccc1)CN(c1ccc([N+](=O)[O-])cc1)CC2 ZINC000004051967 132386230 /nfs/dbraw/zinc/38/62/30/132386230.db2.gz PUZCWSZZLRHLMO-UHFFFAOYSA-N 0 0 350.403 3.881 50 30 FHEARN CC(C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@@H](C)C1 ZINC000004898515 132825216 /nfs/dbraw/zinc/82/52/16/132825216.db2.gz IUYNOHCDQWSYCD-BZUAXINKSA-N 0 0 366.465 3.671 50 30 FHEARN N#Cc1cccnc1N1CCC(CNC(=O)Nc2ccccc2Cl)CC1 ZINC000070929512 136138585 /nfs/dbraw/zinc/13/85/85/136138585.db2.gz PCAPAFULVVZSHT-UHFFFAOYSA-N 0 0 369.856 3.645 50 30 FHEARN Cc1ccc(-c2noc(C3CCN(c4oc(C)nc4C#N)CC3)n2)s1 ZINC000080344563 221695782 /nfs/dbraw/zinc/69/57/82/221695782.db2.gz UVNQKDRGCDSMOS-UHFFFAOYSA-N 0 0 355.423 3.659 50 30 FHEARN CCN(C(C)=O)c1nc(/C=C2/CCOc3c(C)cccc3C2=O)cs1 ZINC000096793933 222130967 /nfs/dbraw/zinc/13/09/67/222130967.db2.gz SFHUGKUJABQOJO-UVTDQMKNSA-N 0 0 356.447 3.873 50 30 FHEARN CNc1ccc(Br)cc(C(=O)/C=C\c2cccc(OC)c2)c1=O ZINC000097474783 222182752 /nfs/dbraw/zinc/18/27/52/222182752.db2.gz KFDKMBIZEXPTMG-TWGQIWQCSA-N 0 0 374.234 3.756 50 30 FHEARN COc1ccc(O/C(=N\S(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000100495020 222245657 /nfs/dbraw/zinc/24/56/57/222245657.db2.gz SGCJSLDHDNJMOJ-MRCUWXFGSA-N 0 0 367.426 3.910 50 30 FHEARN CCCCCCCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc(C)cc1 ZINC000101285070 222267915 /nfs/dbraw/zinc/26/79/15/222267915.db2.gz RNDXQBKSPDJOSE-GOSISDBHSA-N 0 0 369.469 3.784 50 30 FHEARN N#Cc1c2c(sc1N1C(=O)[C@@H]3CC=C(Cl)C[C@@H]3C1=O)CCCCC2 ZINC000100709464 222250950 /nfs/dbraw/zinc/25/09/50/222250950.db2.gz RRSKSLDMAKYXOF-OLZOCXBDSA-N 0 0 360.866 3.911 50 30 FHEARN CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C=[NH+]C[C@H]1CCCO1 ZINC000101728555 222281523 /nfs/dbraw/zinc/28/15/23/222281523.db2.gz FWINXTFNGZSBNB-HMHKGCENSA-N 0 0 370.478 3.738 50 30 FHEARN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000102616143 222302002 /nfs/dbraw/zinc/30/20/02/222302002.db2.gz RARZYWLDHNMAHD-WOOAAIBNSA-N 0 0 374.371 3.847 50 30 FHEARN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccccc1)c1ccccc1 ZINC000102800922 222309127 /nfs/dbraw/zinc/30/91/27/222309127.db2.gz YSFUZBLCESUGLH-LFVOPCPISA-N 0 0 356.381 3.708 50 30 FHEARN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000104126581 222350096 /nfs/dbraw/zinc/35/00/96/222350096.db2.gz NFQOZZXITLZMLG-WOOAAIBNSA-N 0 0 374.371 3.847 50 30 FHEARN CC(=O)O[C@H]1CC[C@@]2(/C=N/O)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915840 222511972 /nfs/dbraw/zinc/51/19/72/222511972.db2.gz JIIVOVFNPCJNDJ-PJFHMYDBSA-N 0 0 359.466 3.890 50 30 FHEARN N=C(Cc1ccc(Cl)cc1Cl)NOC(=O)c1cccc([N+](=O)[O-])c1 ZINC000004725329 263336542 /nfs/dbraw/zinc/33/65/42/263336542.db2.gz UZAMIRJVMWKXLS-UHFFFAOYSA-N 0 0 368.176 3.573 50 30 FHEARN C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1ccccc1F ZINC000006755904 263346331 /nfs/dbraw/zinc/34/63/31/263346331.db2.gz LMERITOPMYVJSI-UHFFFAOYSA-N 0 0 367.380 3.713 50 30 FHEARN C=CCc1cc(OC)ccc1OCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000008775523 263357160 /nfs/dbraw/zinc/35/71/60/263357160.db2.gz SBERTEQFCOHKTJ-UHFFFAOYSA-N 0 0 369.417 3.603 50 30 FHEARN C/N=C1\S/C(=C/c2ccccc2OCc2cccc(F)c2)C(=O)N1C ZINC000009323313 263361298 /nfs/dbraw/zinc/36/12/98/263361298.db2.gz RPLVEXNKRWOQBT-SMSCYPBYSA-N 0 0 356.422 3.937 50 30 FHEARN C=CCn1nnc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)n1 ZINC000010148887 263363676 /nfs/dbraw/zinc/36/36/76/263363676.db2.gz UKUNPBVCZOHWGO-UHFFFAOYSA-N 0 0 364.192 3.678 50 30 FHEARN c1ccc(C(COc2cccnc2)N=Nc2nncc3ccccc32)cc1 ZINC000018194990 263373318 /nfs/dbraw/zinc/37/33/18/263373318.db2.gz JPRJSJAPJJSZSJ-GFMRDNFCSA-N 0 0 355.401 3.920 50 30 FHEARN O=C(Cc1csc(-c2ccccc2)n1)Nc1n[nH]c([C@@H]2CCCO2)n1 ZINC000095480387 263428296 /nfs/dbraw/zinc/42/82/96/263428296.db2.gz PPIUROVJZHXENE-ZDUSSCGKSA-N 0 0 355.423 3.610 50 30 FHEARN COc1ccc(NC(=O)c2ccc(C)c(CO)c2)c(C(=O)NC2CC2)c1 ZINC000328592196 263468720 /nfs/dbraw/zinc/46/87/20/263468720.db2.gz LWNMAWDNBCVLJF-UHFFFAOYSA-N 0 0 354.406 3.599 50 30 FHEARN Cc1n[nH]c(C)c1CCCN(C)C(=O)c1cccc(-c2ncccc2C#N)c1 ZINC000426399082 263576623 /nfs/dbraw/zinc/57/66/23/263576623.db2.gz UJPOZEXXHCFMAC-UHFFFAOYSA-N 0 0 373.460 3.665 50 30 FHEARN C/C(=N/OC(=O)c1c(C)onc1-c1c(F)cccc1Cl)c1cnccn1 ZINC000005721512 518456076 /nfs/dbraw/zinc/45/60/76/518456076.db2.gz ZZDAZXBTBGUNLV-AFPJDJCSSA-N 0 0 374.759 3.814 50 30 FHEARN CC(C)(C)C(=O)/C=C1\SCC(=O)N1CCOc1cccc(Cl)c1 ZINC000013096049 518549925 /nfs/dbraw/zinc/54/99/25/518549925.db2.gz PNWCZEPZIRXSLB-YBEGLDIGSA-N 0 0 353.871 3.751 50 30 FHEARN C=C(C)COc1ccccc1C(=O)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000055403835 518620863 /nfs/dbraw/zinc/62/08/63/518620863.db2.gz IOCLNUSXARSGRI-LJQANCHMSA-N 0 0 366.461 3.858 50 30 FHEARN C=C(C)COc1ccccc1C(=O)N1CCc2[nH]cnc2[C@@H]1c1ccccn1 ZINC000055036616 518621025 /nfs/dbraw/zinc/62/10/25/518621025.db2.gz JDYCNVYYDJQRSO-NRFANRHFSA-N 0 0 374.444 3.548 50 30 FHEARN C=CCN(Cc1ccc(Cl)s1)C(=O)CCNC(=O)c1ccsc1 ZINC000025013740 518779615 /nfs/dbraw/zinc/77/96/15/518779615.db2.gz LAUUVZUOFJYKBB-UHFFFAOYSA-N 0 0 368.911 3.798 50 30 FHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)[C@@H](C)Oc1ccccc1 ZINC000007759367 518799137 /nfs/dbraw/zinc/79/91/37/518799137.db2.gz OHSSEQUWWOZFDX-MRXNPFEDSA-N 0 0 363.417 3.719 50 30 FHEARN C=CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 ZINC000002812179 519039932 /nfs/dbraw/zinc/03/99/32/519039932.db2.gz JKYDUXCXFCOPEC-KRWDZBQOSA-N 0 0 364.445 3.860 50 30 FHEARN C=CCSc1nc(N)c(-c2nc(-c3ccccc3)cs2)cc1C(N)=O ZINC000020293765 519079179 /nfs/dbraw/zinc/07/91/79/519079179.db2.gz DCYUXTCNEVFDID-UHFFFAOYSA-N 0 0 368.487 3.831 50 30 FHEARN C=CC[C@@H](C(=O)N[C@H](C)c1ccccc1)C(=O)N[C@@H](C)c1ccccc1 ZINC000245311324 519095272 /nfs/dbraw/zinc/09/52/72/519095272.db2.gz NLZCBGJMOFLKPE-YRWFTTLQSA-N 0 0 350.462 3.934 50 30 FHEARN C=CCc1ccccc1OCc1cc(=O)n2nc(SCC)sc2n1 ZINC000013367585 519146272 /nfs/dbraw/zinc/14/62/72/519146272.db2.gz CSOIKGCJNFNVNF-UHFFFAOYSA-N 0 0 359.476 3.571 50 30 FHEARN C=CCn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N(C)CCC#N ZINC000007987819 519148638 /nfs/dbraw/zinc/14/86/38/519148638.db2.gz DIZLYIATYHMRMC-UHFFFAOYSA-N 0 0 374.897 3.854 50 30 FHEARN C=CCn1c(S[C@H](C(N)=O)c2ccc(F)cc2)nnc1C1CCCCC1 ZINC000008707403 519254982 /nfs/dbraw/zinc/25/49/82/519254982.db2.gz VCNJRDKWGJJDNF-INIZCTEOSA-N 0 0 374.485 3.970 50 30 FHEARN CC(=NN1CCN(c2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000244716203 519350795 /nfs/dbraw/zinc/35/07/95/519350795.db2.gz LKNUMYQWQYTHSW-UHFFFAOYSA-N 0 0 358.829 3.794 50 30 FHEARN CC(C)NC(=O)Nc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1 ZINC000032831769 519712618 /nfs/dbraw/zinc/71/26/18/519712618.db2.gz ATJDAJWHLUPYLL-YCRREMRBSA-N 0 0 366.417 3.884 50 30 FHEARN CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O ZINC000009530701 519747644 /nfs/dbraw/zinc/74/76/44/519747644.db2.gz DDBNTHVHLYATSW-NVMNQCDNSA-N 0 0 356.349 3.772 50 30 FHEARN CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CSc1ccc2ccccc2c1 ZINC000007779237 519807718 /nfs/dbraw/zinc/80/77/18/519807718.db2.gz QSNHOSMDACULNY-HXUWFJFHSA-N 0 0 370.474 3.530 50 30 FHEARN CCCOc1ccc(/C=C\C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1OC ZINC000050647673 520321748 /nfs/dbraw/zinc/32/17/48/520321748.db2.gz ZFIQRQJESSWTMX-YWEYNIOJSA-N 0 0 352.390 3.550 50 30 FHEARN CCCOc1ccc(C=NN2C(=S)N=NC2COc2ccccc2)cc1 ZINC000005738380 520323482 /nfs/dbraw/zinc/32/34/82/520323482.db2.gz WIHLJKGBNCHYSS-DEDYPNTBSA-N 0 0 368.462 3.817 50 30 FHEARN CCCSc1nnc(NN=C(C)c2ccc(Br)cc2)[nH]1 ZINC000007262852 520572470 /nfs/dbraw/zinc/57/24/70/520572470.db2.gz VQDXKRJXRNOIKC-SXGWCWSVSA-N 0 0 354.277 3.905 50 30 FHEARN CCN(CC)c1ccc(C=NN2C(=S)N=NC2c2ccccc2)c(O)c1 ZINC000239009526 520889221 /nfs/dbraw/zinc/88/92/21/520889221.db2.gz ATSJUPWBIADYLG-UHFFFAOYSA-N 0 0 367.478 3.668 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1cc(OC)ccc1OC ZINC000004919638 521091514 /nfs/dbraw/zinc/09/15/14/521091514.db2.gz LLOZZLVCMMMTEU-UZLBHIALSA-N 0 0 370.401 3.616 50 30 FHEARN CCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C ZINC000254612781 521232886 /nfs/dbraw/zinc/23/28/86/521232886.db2.gz XPJSYVSOPZVTNB-QZLKPZJXSA-N 0 0 360.494 3.811 50 30 FHEARN CCCCc1cc(NC(=O)c2cnn(CCC#N)c2-c2ccccc2)n[nH]1 ZINC000225449202 521263507 /nfs/dbraw/zinc/26/35/07/521263507.db2.gz AUGHDGFUFGUYDR-UHFFFAOYSA-N 0 0 362.437 3.782 50 30 FHEARN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2ccc(OC)c(OC)c2)c1C ZINC000020620849 521357266 /nfs/dbraw/zinc/35/72/66/521357266.db2.gz MBMKDHZMMITICX-VQHVLOKHSA-N 0 0 357.406 3.722 50 30 FHEARN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C\c2ccc(-n3ccnc3)cc2)c1C ZINC000096843746 521358587 /nfs/dbraw/zinc/35/85/87/521358587.db2.gz BALGXXCUYMWEHD-YFHOEESVSA-N 0 0 363.417 3.890 50 30 FHEARN CCCCn1cccc(C(=O)/C=C(\C)c2cccn(CCCC)c2=O)c1=O ZINC000004957668 521391198 /nfs/dbraw/zinc/39/11/98/521391198.db2.gz MOIBPHOUWNEAAU-WUKNDPDISA-N 0 0 368.477 3.896 50 30 FHEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1cccc(F)c1 ZINC000020608969 521528443 /nfs/dbraw/zinc/52/84/43/521528443.db2.gz CYUXHYXEKHKREI-BWORXHKJSA-N 0 0 371.437 3.806 50 30 FHEARN CCOc1ccsc1C(=O)ONC(=N)c1ccc(C(F)(F)F)cc1 ZINC000004324073 521597001 /nfs/dbraw/zinc/59/70/01/521597001.db2.gz UJPCYTOICYQUJE-UHFFFAOYSA-N 0 0 358.341 3.643 50 30 FHEARN COc1cc(/C=C/C(=O)OCCOc2ccc(C)cc2)ccc1OCC#N ZINC000006233926 521933815 /nfs/dbraw/zinc/93/38/15/521933815.db2.gz WCXCJCXLFMJZEP-UXBLZVDNSA-N 0 0 367.401 3.541 50 30 FHEARN COC(=O)C1=C(SC)N(c2ccccc2)[C@H](c2ccccc2)CC1=O ZINC000000707798 522896796 /nfs/dbraw/zinc/89/67/96/522896796.db2.gz 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525348845 /nfs/dbraw/zinc/34/88/45/525348845.db2.gz YSALUCJHTGLMGQ-DSMODRFPSA-N 0 0 363.571 3.579 50 30 FHEARN Cc1c(Cl)cccc1NC(=O)[C@@H](C#N)C(=O)COc1ccc(F)cc1 ZINC000103504646 525773122 /nfs/dbraw/zinc/77/31/22/525773122.db2.gz ZMVIJHHRKXTGRH-AWEZNQCLSA-N 0 0 360.772 3.514 50 30 FHEARN Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000102804309 525787903 /nfs/dbraw/zinc/78/79/03/525787903.db2.gz KZONDYXRXUUHBK-LFVOPCPISA-N 0 0 374.396 3.605 50 30 FHEARN Cc1ccoc1C(=O)OCC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 ZINC000011580374 525791970 /nfs/dbraw/zinc/79/19/70/525791970.db2.gz FYLAZKHUSYGGMA-UHFFFAOYSA-N 0 0 360.797 3.654 50 30 FHEARN COc1cccc(C=NN2CCN(Cc3ccccc3Cl)CC2)c1OC ZINC000244594118 525863329 /nfs/dbraw/zinc/86/33/29/525863329.db2.gz DGRXTLONKAMYOY-UHFFFAOYSA-N 0 0 373.884 3.509 50 30 FHEARN C[C@@]12CC[C@H]3[C@@H](C[C@@H](CN4CC4)C4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(C)O ZINC000261491960 525914535 /nfs/dbraw/zinc/91/45/35/525914535.db2.gz MUIGAJJYQBDLDV-DUXKNNISSA-N 0 0 357.538 3.811 50 30 FHEARN S=C1N=NCN1N=Cc1ccc(COc2cc(Cl)ccc2Cl)o1 ZINC000036611072 526390611 /nfs/dbraw/zinc/39/06/11/526390611.db2.gz RMSVACZWVZGMAK-NGYBGAFCSA-N 0 0 369.233 3.928 50 30 FHEARN N#CCC(=O)Nc1ccc(C(=O)OCc2cccc(Br)c2)cc1 ZINC000005813332 526442571 /nfs/dbraw/zinc/44/25/71/526442571.db2.gz KORVIZPWVOJXTG-UHFFFAOYSA-N 0 0 373.206 3.658 50 30 FHEARN N#Cc1c(N)nc(SCC(=O)c2ccccc2)c(C#N)c1-c1ccco1 ZINC000019900855 526527416 /nfs/dbraw/zinc/52/74/16/526527416.db2.gz LZBOBIXSMDCUFY-UHFFFAOYSA-N 0 0 360.398 3.642 50 30 FHEARN N=C(NOC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1cccnc1 ZINC000004845576 526808861 /nfs/dbraw/zinc/80/88/61/526808861.db2.gz IQUAJUZDTAYLIC-UHFFFAOYSA-N 0 0 368.396 3.774 50 30 FHEARN O=C1c2ccc3c(c2O/C1=C\c1ccco1)[C@H](c1cccnc1)CC(=O)O3 ZINC000253409223 527126386 /nfs/dbraw/zinc/12/63/86/527126386.db2.gz LNYMNCSNEKIYJD-MBBOSUJBSA-N 0 0 359.337 3.732 50 30 FHEARN O=C(/C=C/c1cccc(F)c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000089774698 527625934 /nfs/dbraw/zinc/62/59/34/527625934.db2.gz OTFFTVKBRBBKEM-IZZDOVSWSA-N 0 0 359.422 3.506 50 30 FHEARN O=C(COc1ccc(F)cc1F)Nc1cccc(C#Cc2ccccn2)c1 ZINC000024790686 568116184 /nfs/dbraw/zinc/11/61/84/568116184.db2.gz YUSNDYUGBAYFOI-UHFFFAOYSA-N 0 0 364.351 3.777 50 30 FHEARN O=C(CNC(=O)c1ccccc1)Nc1cccc(C#Cc2cccs2)c1 ZINC000024927303 568275634 /nfs/dbraw/zinc/27/56/34/568275634.db2.gz RWQYFJRZSPBPGL-UHFFFAOYSA-N 0 0 360.438 3.516 50 30 FHEARN COc1ccc(NC(=O)N2CCC(C#N)(c3ccccc3)CC2)c(F)c1 ZINC000096150774 570477501 /nfs/dbraw/zinc/47/75/01/570477501.db2.gz ZYQOCQQQQAZPQE-UHFFFAOYSA-N 0 0 353.397 3.924 50 30 FHEARN CC1(C)CC(=O)C(Sc2ccc([N+](=O)[O-])cc2)=C(N2CCOCC2)C1 ZINC000002584115 570526206 /nfs/dbraw/zinc/52/62/06/570526206.db2.gz FPHLZEGQLBFCNN-UHFFFAOYSA-N 0 0 362.451 3.620 50 30 FHEARN C=CCSC1=N/C(=C\c2cc(OC)c(OC)c(OC)c2)C(=O)S1 ZINC000003001820 570549221 /nfs/dbraw/zinc/54/92/21/570549221.db2.gz ARXYVYJRLUXTKZ-XFFZJAGNSA-N 0 0 351.449 3.602 50 30 FHEARN CCOc1cccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1 ZINC000003899603 570570986 /nfs/dbraw/zinc/57/09/86/570570986.db2.gz BZTUWLBJGYVUKO-IBGZPJMESA-N 0 0 369.461 3.862 50 30 FHEARN CCOC(=O)c1sc(N=NCc2ccc(Br)cc2)nc1C ZINC000003959054 570572238 /nfs/dbraw/zinc/57/22/38/570572238.db2.gz IOFAULJRDQMOLP-LZYBPNLTSA-N 0 0 368.256 3.837 50 30 FHEARN NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc(Cl)c(Cl)c1 ZINC000005012153 570574982 /nfs/dbraw/zinc/57/49/82/570574982.db2.gz OBXTVZPNVZDYET-UHFFFAOYSA-N 0 0 359.216 3.586 50 30 FHEARN Cc1ncc(CO)c(/C=N/c2ccc(-c3nc4ccccc4[nH]3)cc2)c1O ZINC000005110584 570586136 /nfs/dbraw/zinc/58/61/36/570586136.db2.gz TXMSPWDBUQCARF-FOKLQQMPSA-N 0 0 358.401 3.882 50 30 FHEARN COc1ccccc1N1CCN(/N=C\c2cccc(Br)c2)CC1 ZINC000004482734 570592043 /nfs/dbraw/zinc/59/20/43/570592043.db2.gz OPUVRBNAQFAWOO-ZHZULCJRSA-N 0 0 374.282 3.614 50 30 FHEARN C=CC[N-]C(=S)[NH+]=C(Nc1ccc(Cl)cc1)Nc1nc(C)cc(C)n1 ZINC000004543694 570595458 /nfs/dbraw/zinc/59/54/58/570595458.db2.gz LRAMNTKIIBTTTC-UHFFFAOYSA-N 0 0 374.901 3.687 50 30 FHEARN COc1ccc(OC)c(/C=C2/S/C(=N\c3ccccc3)N(C)C2=O)c1 ZINC000004660314 570598990 /nfs/dbraw/zinc/59/89/90/570598990.db2.gz HDXRUXWTHRWOJB-QHHAONBESA-N 0 0 354.431 3.938 50 30 FHEARN CNc1ccc(Br)cc(C(=O)/C=C/c2ccccc2OC)c1=O ZINC000004667403 570599643 /nfs/dbraw/zinc/59/96/43/570599643.db2.gz WZQBBYZJWVEGAY-JXMROGBWSA-N 0 0 374.234 3.756 50 30 FHEARN CNc1ccc(Br)cc(C(=O)/C=C/c2ccc(C#N)cc2)c1=O ZINC000004667411 570600104 /nfs/dbraw/zinc/60/01/04/570600104.db2.gz RZUSGRCNSZJZQB-RMKNXTFCSA-N 0 0 369.218 3.619 50 30 FHEARN Cc1ccc(C(=O)ONC(=N)c2ccc(Br)cc2)c(Cl)c1 ZINC000004755365 570604996 /nfs/dbraw/zinc/60/49/96/570604996.db2.gz CZUSQIKPUZQTSS-UHFFFAOYSA-N 0 0 367.630 3.888 50 30 FHEARN O=C1C[C@@H](c2ccc(F)cc2)CC2=Nc3ncnn3[C@H](c3ccccc3)C12 ZINC000004776965 570606129 /nfs/dbraw/zinc/60/61/29/570606129.db2.gz MXECBZLIJPOJEN-MGPUTAFESA-N 0 0 360.392 3.833 50 30 FHEARN COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1 ZINC000004914505 570613702 /nfs/dbraw/zinc/61/37/02/570613702.db2.gz RZLMPRHWZONEBB-YJBOKZPZSA-N 0 0 365.404 3.839 50 30 FHEARN O=C1C[C@H](c2ccccc2F)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004914750 570614020 /nfs/dbraw/zinc/61/40/20/570614020.db2.gz SICBPJSPPOLFLU-CZUORRHYSA-N 0 0 353.368 3.969 50 30 FHEARN COc1ccc(C=NNc2ccc(Br)cc2)cc1[N+](=O)[O-] ZINC000004991860 570617130 /nfs/dbraw/zinc/61/71/30/570617130.db2.gz QTIGLODNRPEWNS-CXUHLZMHSA-N 0 0 350.172 3.812 50 30 FHEARN Cc1cccc(C[C@@H]2S/C(=N/N=C/c3ccccc3Cl)NC2=O)c1 ZINC000005008859 570617897 /nfs/dbraw/zinc/61/78/97/570617897.db2.gz BQIGIKJXZGEJGY-YODDIOPGSA-N 0 0 357.866 3.813 50 30 FHEARN C/C(=N\N1CCN(c2ccccc2)CC1)c1cccc(Br)c1 ZINC000005033693 570618736 /nfs/dbraw/zinc/61/87/36/570618736.db2.gz QSYZXDSPKATJJG-HMMYKYKNSA-N 0 0 358.283 3.995 50 30 FHEARN C/C(=N/N1CCN(c2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000005032036 570618790 /nfs/dbraw/zinc/61/87/90/570618790.db2.gz LKNUMYQWQYTHSW-ZHZULCJRSA-N 0 0 358.829 3.794 50 30 FHEARN C=CCn1c([C@H](C)CC)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000252479371 570622115 /nfs/dbraw/zinc/62/21/15/570622115.db2.gz BDTXPSMQIOEQLT-CABCVRRESA-N 0 0 373.467 3.688 50 30 FHEARN C=CCn1c([C@@H](C)CC)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 ZINC000252479372 570622225 /nfs/dbraw/zinc/62/22/25/570622225.db2.gz BDTXPSMQIOEQLT-GJZGRUSLSA-N 0 0 373.467 3.688 50 30 FHEARN O=C1ON=C(c2cccc([N+](=O)[O-])c2)/C1=C/c1c(O)ccc2ccccc21 ZINC000005518281 570629333 /nfs/dbraw/zinc/62/93/33/570629333.db2.gz MJMRGWGLYFAOTM-BOPFTXTBSA-N 0 0 360.325 3.798 50 30 FHEARN CC1=C(Cl)C(=O)C(C(C)C)=CC1=NOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000005194636 570631402 /nfs/dbraw/zinc/63/14/02/570631402.db2.gz DXUGHTACHPLHAG-RGEXLXHISA-N 0 0 362.769 3.786 50 30 FHEARN N#CCSc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1 ZINC000005212538 570635384 /nfs/dbraw/zinc/63/53/84/570635384.db2.gz UGQCBZFNGWGGLI-UHFFFAOYSA-N 0 0 372.247 3.764 50 30 FHEARN Cn1cccc1/C=C1\S/C(=N/c2ccc(Br)cc2)NC1=O ZINC000005218928 570635665 /nfs/dbraw/zinc/63/56/65/570635665.db2.gz OHLDJNKEDJUXHP-LCYFTJDESA-N 0 0 362.252 3.679 50 30 FHEARN CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(F)c1)C1=C(CCCC1=O)N2 ZINC000006002215 570640123 /nfs/dbraw/zinc/64/01/23/570640123.db2.gz GSMKPBYGIPGJOD-AWEZNQCLSA-N 0 0 371.437 3.586 50 30 FHEARN N#Cc1ccc(OC(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000005256005 570640218 /nfs/dbraw/zinc/64/02/18/570640218.db2.gz SXODINUCLNTSIA-UHFFFAOYSA-N 0 0 366.598 3.959 50 30 FHEARN N#Cc1c(NC(=O)CSC(=S)N2CCCC2)sc2c1CCCC2 ZINC000005287149 570646341 /nfs/dbraw/zinc/64/63/41/570646341.db2.gz YBODGKWBDCSVAJ-UHFFFAOYSA-N 0 0 365.549 3.551 50 30 FHEARN C=CCOc1ccc(Br)cc1C=C1SC(=S)NC1=O ZINC000005377434 570650955 /nfs/dbraw/zinc/65/09/55/570650955.db2.gz MLVVZKGAPNTNPW-XFFZJAGNSA-N 0 0 356.266 3.503 50 30 FHEARN Cc1[nH]c2ccc(C(=O)C=C3NCCc4cc5c(cc43)OCO5)cc2c1C ZINC000005423565 570654160 /nfs/dbraw/zinc/65/41/60/570654160.db2.gz UTLLSPIFNAPIDU-GRSHGNNSSA-N 0 0 360.413 3.883 50 30 biogenic FHEARN Cc1cc(=O)oc2c3c(ccc12)O/C(=N\Nc1ccc(Cl)cc1)C3=O ZINC000005441881 570656494 /nfs/dbraw/zinc/65/64/94/570656494.db2.gz LQPSSVIXZLNRGF-UZYVYHOESA-N 0 0 354.749 3.756 50 30 FHEARN CCCCCCCCCCCCOCCOCCOCCOCCO ZINC000008214594 570678652 /nfs/dbraw/zinc/67/86/52/570678652.db2.gz WPMWEFXCIYCJSA-UHFFFAOYSA-N 0 0 362.551 3.966 50 30 in-man FHEARN COc1cc(C#N)ccc1OCC(=O)c1cc(C)n(-c2cc(C)on2)c1C ZINC000005629896 570682845 /nfs/dbraw/zinc/68/28/45/570682845.db2.gz DLIDHNGNCRKUNS-UHFFFAOYSA-N 0 0 365.389 3.533 50 30 FHEARN CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(C)cc(C)c2C#N)cc1 ZINC000005641866 570683679 /nfs/dbraw/zinc/68/36/79/570683679.db2.gz RCLCRUIIZAJHTO-CQSZACIVSA-N 0 0 353.447 3.892 50 30 FHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000009089562 570691315 /nfs/dbraw/zinc/69/13/15/570691315.db2.gz MUXKINWBRJXFLV-IBGZPJMESA-N 0 0 363.413 3.768 50 30 FHEARN Cc1nn(-c2ccccc2)c(C)c1C=NN1C(=S)N=NC1c1ccccc1 ZINC000009356924 570694750 /nfs/dbraw/zinc/69/47/50/570694750.db2.gz OVKQCESWTWXCJU-FYJGNVAPSA-N 0 0 374.473 3.919 50 30 FHEARN CSc1nc(N)c2c(n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccccc1 ZINC000004331376 570703219 /nfs/dbraw/zinc/70/32/19/570703219.db2.gz QVRFIRMWDIHYJU-AWEZNQCLSA-N 0 0 366.490 3.981 50 30 FHEARN N#CNC(=N)CSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N ZINC000012376942 570740515 /nfs/dbraw/zinc/74/05/15/570740515.db2.gz WMKWAZROBCDPAK-UHFFFAOYSA-N 0 0 361.352 3.569 50 30 FHEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccs1 ZINC000012385074 570740907 /nfs/dbraw/zinc/74/09/07/570740907.db2.gz UIUNWMXQKVVVBW-SDDDUWNISA-N 0 0 368.458 3.979 50 30 FHEARN COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(N(C)C)cc3)S2)cc1 ZINC000012414013 570743456 /nfs/dbraw/zinc/74/34/56/570743456.db2.gz FVZRWFFFQHNCRW-SFQUDFHCSA-N 0 0 353.447 3.653 50 30 FHEARN Cc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccccc3)S2)c(C)c1 ZINC000012469609 570748438 /nfs/dbraw/zinc/74/84/38/570748438.db2.gz IYXHRNXMLSJXPG-QBEKEKFNSA-N 0 0 367.474 3.894 50 30 FHEARN CC(=O)N1c2ccc(Br)cc2C(=O)/C1=C\c1ccccc1O ZINC000004482645 570797052 /nfs/dbraw/zinc/79/70/52/570797052.db2.gz XACUKTZRXCFZGM-OVCLIPMQSA-N 0 0 358.191 3.745 50 30 FHEARN COc1cc(/C=C/C(=O)c2ccc3c(c2)OCCCO3)cc2c1OCCO2 ZINC000032798780 570804232 /nfs/dbraw/zinc/80/42/32/570804232.db2.gz SDFJDAAISBVNMT-HWKANZROSA-N 0 0 368.385 3.524 50 30 FHEARN Cc1c(C(=O)Nc2ccc(C#N)c(Cl)c2)cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000004524553 570818526 /nfs/dbraw/zinc/81/85/26/570818526.db2.gz JBVDZFMHIQMURC-UHFFFAOYSA-N 0 0 360.713 3.589 50 30 FHEARN CCN(CC)c1ccc(C2=Nc3ncnn3/C2=N/Cc2ccccc2)cc1 ZINC000102651043 570835187 /nfs/dbraw/zinc/83/51/87/570835187.db2.gz LRSBBBUKJPPDRD-LSDHQDQOSA-N 0 0 358.449 3.706 50 30 FHEARN COc1ccccc1C/N=C1\C(c2ccc(C(C)C)cc2)=Nc2ncnn21 ZINC000102651038 570835291 /nfs/dbraw/zinc/83/52/91/570835291.db2.gz GYBQCVRQJSYHLW-LSDHQDQOSA-N 0 0 359.433 3.991 50 30 FHEARN Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C=[NH+]Cc1cccs1 ZINC000103067363 570843216 /nfs/dbraw/zinc/84/32/16/570843216.db2.gz QSYBBAPOXRUGLG-ZDLGFXPLSA-N 0 0 354.460 3.764 50 30 FHEARN N#Cc1c(F)cccc1N1CCN(Cc2ccccc2Br)CC1 ZINC000032913816 570853423 /nfs/dbraw/zinc/85/34/23/570853423.db2.gz XSUVMYOWUORQPB-UHFFFAOYSA-N 0 0 374.257 3.782 50 30 FHEARN N#C[C@H](C(=O)Nc1ccccn1)C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000107347767 570896478 /nfs/dbraw/zinc/89/64/78/570896478.db2.gz RFSCISGKYQADMJ-MCIONIFRSA-N 0 0 373.334 3.551 50 30 FHEARN COc1cccc(C(=O)N=C(NCc2ccncc2)Nc2cccc(C)c2)c1 ZINC000045940643 570915298 /nfs/dbraw/zinc/91/52/98/570915298.db2.gz FKDQMWVYHRQUPA-UHFFFAOYSA-N 0 0 374.444 3.797 50 30 FHEARN COc1ccccc1NC(=NC(=O)c1cccc(C)c1)NCc1ccccn1 ZINC000046126053 570926616 /nfs/dbraw/zinc/92/66/16/570926616.db2.gz HDKWLHCXOZTFNY-UHFFFAOYSA-N 0 0 374.444 3.797 50 30 FHEARN COc1ccc(NC(=NC(=O)c2cccc(C)c2)NCc2ccccn2)cc1 ZINC000046125997 570926659 /nfs/dbraw/zinc/92/66/59/570926659.db2.gz HUWWFPFWIQEQED-UHFFFAOYSA-N 0 0 374.444 3.797 50 30 FHEARN CN(C)c1cccc(C(=O)N=C(NCc2ccccn2)Nc2ccccc2)c1 ZINC000046125167 570926791 /nfs/dbraw/zinc/92/67/91/570926791.db2.gz PXBMRQFHBGCLBK-UHFFFAOYSA-N 0 0 373.460 3.546 50 30 FHEARN O=C(N=C(NCc1ccccn1)Nc1cccc(F)c1)c1ccc(F)cc1 ZINC000046126376 570927168 /nfs/dbraw/zinc/92/71/68/570927168.db2.gz BMFCICAMFRABGM-UHFFFAOYSA-N 0 0 366.371 3.758 50 30 FHEARN Cc1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cc(C)cc(C)c2)c1 ZINC000046131483 570928474 /nfs/dbraw/zinc/92/84/74/570928474.db2.gz RBCBSBPMHAQEOM-FQEVSTJZSA-N 0 0 365.477 3.989 50 30 FHEARN Cc1cccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2cccc(F)c2)c1 ZINC000046131845 570928818 /nfs/dbraw/zinc/92/88/18/570928818.db2.gz TUKJLPIYUKOTFM-GOSISDBHSA-N 0 0 355.413 3.511 50 30 FHEARN Cc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(F)cc2)cc1 ZINC000046132087 570928872 /nfs/dbraw/zinc/92/88/72/570928872.db2.gz VXUJSOPPRPHPHI-GOSISDBHSA-N 0 0 355.413 3.511 50 30 FHEARN CCc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cccc(F)c2)cc1 ZINC000046131892 570928969 /nfs/dbraw/zinc/92/89/69/570928969.db2.gz ROIQRBPKPPRSLR-IBGZPJMESA-N 0 0 369.440 3.765 50 30 FHEARN C=CCn1c(C)nn(CN2CCC[C@@H](c3nc4ccccc4o3)C2)c1=S ZINC000047996165 570932409 /nfs/dbraw/zinc/93/24/09/570932409.db2.gz UKELKYFJAZYTCC-OAHLLOKOSA-N 0 0 369.494 3.887 50 30 FHEARN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc2c(s1)C[C@@H](C)CC2 ZINC000024050782 570970700 /nfs/dbraw/zinc/97/07/00/570970700.db2.gz HBXIHMLVIXTNJZ-LBPRGKRZSA-N 0 0 371.510 3.566 50 30 FHEARN COC[C@@H](C)n1c(SCc2cccc(C#N)c2)nc2ccccc2c1=O ZINC000024754971 570981414 /nfs/dbraw/zinc/98/14/14/570981414.db2.gz SMNSAWDLAJFFFJ-CQSZACIVSA-N 0 0 365.458 3.768 50 30 FHEARN CC(=O)N[C@@H](C)c1ccc(C2=NN/C(=N/C3CCCCC3)SC2)cc1 ZINC000012685840 571044202 /nfs/dbraw/zinc/04/42/02/571044202.db2.gz WSKZQWLAROPZQN-ZDUSSCGKSA-N 0 0 358.511 3.613 50 30 FHEARN CCOc1cc(C#N)ccc1OC(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000067538923 571053438 /nfs/dbraw/zinc/05/34/38/571053438.db2.gz BGJBPKOTYXWQTO-UHFFFAOYSA-N 0 0 351.337 3.501 50 30 FHEARN N#Cc1cccc(S(=O)(=O)N(Cc2ccccc2C#N)c2ccccc2)c1 ZINC000012729023 571054410 /nfs/dbraw/zinc/05/44/10/571054410.db2.gz BOVWUIFQGRFQGR-UHFFFAOYSA-N 0 0 373.437 3.825 50 30 FHEARN CCSCCN(C(=O)c1ccc(C#CC(C)(C)O)o1)C1CCCCC1 ZINC000055182993 571058071 /nfs/dbraw/zinc/05/80/71/571058071.db2.gz ZHAFWVCSAZIBQB-UHFFFAOYSA-N 0 0 363.523 3.930 50 30 FHEARN COc1cc(C)c(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1OC ZINC000008752489 571059654 /nfs/dbraw/zinc/05/96/54/571059654.db2.gz QKPATSLAUVVZEI-UHFFFAOYSA-N 0 0 365.389 3.828 50 30 FHEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccncc2)C1=O ZINC000004116382 571072415 /nfs/dbraw/zinc/07/24/15/571072415.db2.gz RVOQQAQONXMWLP-NTCAYCPXSA-N 0 0 352.415 3.625 50 30 FHEARN COc1ccc(Cl)cc1CN(C)[C@H](C)C(=O)Nc1sccc1C#N ZINC000008919109 571073268 /nfs/dbraw/zinc/07/32/68/571073268.db2.gz GURQDUSIZDVAHK-LLVKDONJSA-N 0 0 363.870 3.741 50 30 FHEARN COc1ccccc1NC(=S)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000036385234 571080211 /nfs/dbraw/zinc/08/02/11/571080211.db2.gz PWXLUYKVAVBBHX-JXMROGBWSA-N 0 0 367.518 3.944 50 30 FHEARN C=CCN1c2cc(NC(=O)c3ccccc3)ccc2OCC(C)(C)C1=O ZINC000008959614 571082751 /nfs/dbraw/zinc/08/27/51/571082751.db2.gz HZCQMAQMRRCIHS-UHFFFAOYSA-N 0 0 350.418 3.877 50 30 FHEARN N#C[C@@H](C(=O)CCc1ccc(F)cc1)c1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000040150584 571086024 /nfs/dbraw/zinc/08/60/24/571086024.db2.gz LWFLPCUTRQYIBG-HNNXBMFYSA-N 0 0 369.783 3.937 50 30 FHEARN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2ncc(C#N)c2N1 ZINC000040288096 571093480 /nfs/dbraw/zinc/09/34/80/571093480.db2.gz QGQOWAQBJSNTKD-IBGZPJMESA-N 0 0 355.401 3.682 50 30 FHEARN C[C@H](ON=Cc1cccs1)C(=O)Nc1ccc(Br)cc1 ZINC000245284046 571096273 /nfs/dbraw/zinc/09/62/73/571096273.db2.gz QCARSAJVLXQWMZ-JTQLQIEISA-N 0 0 353.241 3.888 50 30 FHEARN C=CCn1c(C)cc(C(=O)CON=C(C)c2ccc(NC(C)=O)cc2)c1C ZINC000245283769 571096284 /nfs/dbraw/zinc/09/62/84/571096284.db2.gz OSNRVAFWGHSUAK-UHFFFAOYSA-N 0 0 367.449 3.873 50 30 FHEARN N#Cc1ccsc1NC(=O)CSc1nc(-c2ccc(F)cc2)c[nH]1 ZINC000009219887 571101546 /nfs/dbraw/zinc/10/15/46/571101546.db2.gz CDTMYEMHFOVNMH-UHFFFAOYSA-N 0 0 358.423 3.880 50 30 FHEARN COc1ccc(/N=C2\NS(=O)(=O)C(c3ccccc3)=C2C)cc1Cl ZINC000009286806 571103503 /nfs/dbraw/zinc/10/35/03/571103503.db2.gz GERMIXIVNXWLJR-UHFFFAOYSA-N 0 0 362.838 3.743 50 30 FHEARN C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1ccc(F)cc1 ZINC000007720301 571104336 /nfs/dbraw/zinc/10/43/36/571104336.db2.gz FUNWJQGFRZSZKL-UHFFFAOYSA-N 0 0 367.380 3.713 50 30 FHEARN C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccncc1 ZINC000000623091 571123052 /nfs/dbraw/zinc/12/30/52/571123052.db2.gz AQRYZKOHCPQDMP-UHFFFAOYSA-N 0 0 365.462 3.565 50 30 FHEARN C=C(C)Cn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O ZINC000001071017 571123784 /nfs/dbraw/zinc/12/37/84/571123784.db2.gz DKMIZLZPJQWHGU-UHFFFAOYSA-N 0 0 350.443 3.948 50 30 FHEARN N#CC1(NC(=O)CN2CCCC[C@H]2c2nc3ccccc3s2)CCCC1 ZINC000058160461 571126369 /nfs/dbraw/zinc/12/63/69/571126369.db2.gz ZLDCCYMONAZXGT-INIZCTEOSA-N 0 0 368.506 3.776 50 30 FHEARN N#C[C@@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1Br ZINC000058202562 571128849 /nfs/dbraw/zinc/12/88/49/571128849.db2.gz VLMWYHRNWNBASF-SIFUEBAJSA-N 0 0 355.235 3.713 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)N(O)C[C@@H]1c1cccc(Oc2ccc(CC)cc2)c1 ZINC000003997644 571129771 /nfs/dbraw/zinc/12/97/71/571129771.db2.gz PCABVTNIDXAZMY-MOPGFXCFSA-N 0 0 369.417 3.536 50 30 FHEARN N#Cc1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 ZINC000001518281 571130039 /nfs/dbraw/zinc/13/00/39/571130039.db2.gz CGMUAODZXCSCQT-UHFFFAOYSA-N 0 0 350.359 3.842 50 30 FHEARN CC(C)(C)n1cc(C#N)cc1NC(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000077379615 571140165 /nfs/dbraw/zinc/14/01/65/571140165.db2.gz WOJUUMGYOGTSTL-UHFFFAOYSA-N 0 0 366.343 3.703 50 30 FHEARN CCCCCCCn1c(SCCC(C)C)nc2c1c(=O)[nH]c(=O)n2C ZINC000053319237 571140387 /nfs/dbraw/zinc/14/03/87/571140387.db2.gz JPCGLXCMAKPTLO-UHFFFAOYSA-N 0 0 366.531 3.532 50 30 FHEARN C=CCOc1ccc(CN(C)C(=O)NCc2ccccc2COC)cc1 ZINC000026390740 571149311 /nfs/dbraw/zinc/14/93/11/571149311.db2.gz IYHFZPRQCPGUPM-UHFFFAOYSA-N 0 0 354.450 3.739 50 30 FHEARN COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)c1 ZINC000005862194 571167017 /nfs/dbraw/zinc/16/70/17/571167017.db2.gz FTLBNFMLAYNJML-QGZVFWFLSA-N 0 0 356.809 3.859 50 30 FHEARN CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(Cc3ccccc3C#N)C2=O)cc1 ZINC000005979061 571170071 /nfs/dbraw/zinc/17/00/71/571170071.db2.gz QGTXGMKQUKIDAU-JOCHJYFZSA-N 0 0 361.445 3.823 50 30 FHEARN CCCCOC(=O)c1ccc(NC(=O)COc2cccc(C#N)c2)cc1 ZINC000006401137 571183998 /nfs/dbraw/zinc/18/39/98/571183998.db2.gz NEAJELNWPGNTNK-UHFFFAOYSA-N 0 0 352.390 3.533 50 30 FHEARN N#Cc1ccccc1CSc1nnc(NC(=O)Cc2ccccc2)s1 ZINC000006834886 571185390 /nfs/dbraw/zinc/18/53/90/571185390.db2.gz MFVIBSHSWFBUKZ-UHFFFAOYSA-N 0 0 366.471 3.883 50 30 FHEARN CC[C@H]1CCc2c(C#N)c(NC(=O)CSc3ncccn3)sc2C1 ZINC000006489707 571202420 /nfs/dbraw/zinc/20/24/20/571202420.db2.gz KPLUCSNYHYCLQG-NSHDSACASA-N 0 0 358.492 3.655 50 30 FHEARN Cc1n[nH]c(C)c1CCNC(=O)c1cccc(-c2cc(C)c(C#N)c(C)n2)c1 ZINC000584903474 571203924 /nfs/dbraw/zinc/20/39/24/571203924.db2.gz ZZOTZHGIYXTLEO-UHFFFAOYSA-N 0 0 373.460 3.550 50 30 FHEARN O=[N+]([O-])c1ccc(C=NN2C(=S)N=NC2c2ccccc2Cl)cc1 ZINC000005768443 571214454 /nfs/dbraw/zinc/21/44/54/571214454.db2.gz CZUMGPOGNWYRHG-RQZCQDPDSA-N 0 0 359.798 3.678 50 30 FHEARN COc1ccc(/N=C2/c3ccccc3N(CN3CCC(C)CC3)C2=O)cc1 ZINC000033360510 571237519 /nfs/dbraw/zinc/23/75/19/571237519.db2.gz NZMLRIIZDIXPHY-LNVKXUELSA-N 0 0 363.461 3.852 50 30 FHEARN Cc1ccc(Nc2nnc(SCC(=O)NC3(C#N)CCCC3)s2)cc1 ZINC000006650626 571238935 /nfs/dbraw/zinc/23/89/35/571238935.db2.gz UFYVLZCNDRLMML-UHFFFAOYSA-N 0 0 373.507 3.635 50 30 FHEARN Cc1nn(-c2ccccn2)c2c1[C@@H](c1cccnc1)C1=C(CCCC1=O)N2 ZINC000006714353 571243254 /nfs/dbraw/zinc/24/32/54/571243254.db2.gz UYIRYFDSPURRBL-LJQANCHMSA-N 0 0 357.417 3.535 50 30 FHEARN O=C(c1cccs1)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccccc1 ZINC000006720030 571243411 /nfs/dbraw/zinc/24/34/11/571243411.db2.gz FGGSSOSKJPCBDS-PBHICJAKSA-N 0 0 369.442 3.505 50 30 FHEARN Cc1nnc(S[C@H](C)C(=O)Nc2sccc2C#N)n1-c1ccccc1 ZINC000007171479 571262694 /nfs/dbraw/zinc/26/26/94/571262694.db2.gz DJBHVGZNKPCHIA-LLVKDONJSA-N 0 0 369.475 3.628 50 30 FHEARN N#Cc1ccccc1S(=O)(=O)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000007217460 571263144 /nfs/dbraw/zinc/26/31/44/571263144.db2.gz CFNMEJMOTOZJIK-HNNXBMFYSA-N 0 0 369.471 3.694 50 30 FHEARN CCCCNc1oc(/C=C/c2cc(OC)c(OC)c(OC)c2)nc1C#N ZINC000007261759 571263713 /nfs/dbraw/zinc/26/37/13/571263713.db2.gz KMPQEFLRCWQGJT-BQYQJAHWSA-N 0 0 357.410 3.954 50 30 FHEARN C[C@@H](OC(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000007395673 571265061 /nfs/dbraw/zinc/26/50/61/571265061.db2.gz ROBGQNXXDDSKRY-LLVKDONJSA-N 0 0 362.307 3.761 50 30 FHEARN CC(=O)C1=C(c2ccc(F)cc2)NC(=S)N[C@@H]1c1ccc(Cl)cc1 ZINC000007553987 571268992 /nfs/dbraw/zinc/26/89/92/571268992.db2.gz ZWTORHRKAVAARI-MRXNPFEDSA-N 0 0 360.841 3.998 50 30 FHEARN C=CCc1cc(C(=O)N[C@@H](C)CCc2cccn2C)cc(OC)c1OC ZINC000076041125 571273901 /nfs/dbraw/zinc/27/39/01/571273901.db2.gz BGQVKVHQUABLIN-HNNXBMFYSA-N 0 0 356.466 3.522 50 30 FHEARN N#C[C@@H](C(=O)C=C(C1CC1)C1CC1)c1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000054430140 571276914 /nfs/dbraw/zinc/27/69/14/571276914.db2.gz NTOITQXUZABSNB-HNNXBMFYSA-N 0 0 353.809 3.911 50 30 FHEARN C=CCSc1nnc(NC(=O)c2oc3ccccc3c2COC)s1 ZINC000007594270 571279152 /nfs/dbraw/zinc/27/91/52/571279152.db2.gz IVBLLCPLEQJTEB-UHFFFAOYSA-N 0 0 361.448 3.961 50 30 FHEARN CCCOc1c(Cl)cc(C(=O)N(CCC#N)CCC#N)cc1OCC ZINC000054546542 571280628 /nfs/dbraw/zinc/28/06/28/571280628.db2.gz PSSHUQLFNRMTMZ-UHFFFAOYSA-N 0 0 363.845 3.797 50 30 FHEARN O=c1c2[nH]c3ccccc3c2ncn1N=Cc1ccc(Br)cc1 ZINC000252516159 571281983 /nfs/dbraw/zinc/28/19/83/571281983.db2.gz QJYBWBZTSHVRKV-UHFFFAOYSA-N 0 0 367.206 3.523 50 30 FHEARN COc1cc2c(cc1OC)C(=NNC1=CC(=O)CC(C)(C)C1)NC(C)(C)C2 ZINC000252588831 571283789 /nfs/dbraw/zinc/28/37/89/571283789.db2.gz AEOFRCZLIOVQRN-UHFFFAOYSA-N 0 0 371.481 3.993 50 30 FHEARN Cc1nc2sc3c(c2c(=O)n1N=Cc1cc(Cl)ccc1O)CCCC3 ZINC000252593469 571284339 /nfs/dbraw/zinc/28/43/39/571284339.db2.gz BKCDFBNUTJQRTJ-UHFFFAOYSA-N 0 0 373.865 3.886 50 30 FHEARN CC(=NN1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000252610298 571285180 /nfs/dbraw/zinc/28/51/80/571285180.db2.gz HZYPLSBPUQVTDH-UHFFFAOYSA-N 0 0 372.310 3.991 50 30 FHEARN CC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000007719421 571286492 /nfs/dbraw/zinc/28/64/92/571286492.db2.gz ZGHQSXZKJHANRS-UHFFFAOYSA-N 0 0 362.414 3.892 50 30 FHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)OCc1cc(-c2cccs2)on1 ZINC000007819403 571289843 /nfs/dbraw/zinc/28/98/43/571289843.db2.gz UZZVNQUABWCEDS-LBPRGKRZSA-N 0 0 354.387 3.785 50 30 FHEARN CCCOc1ccc2c(c1)C(=NNC(N)=S)c1cc(OCCC)ccc1-2 ZINC000003672139 571292874 /nfs/dbraw/zinc/29/28/74/571292874.db2.gz FXINNMTWIPFRNL-UHFFFAOYSA-N 0 0 369.490 3.830 50 30 FHEARN N#Cc1ccc(NC(=O)CN2CCC[C@@H]2c2nc3ccccc3s2)cc1 ZINC000007910063 571293154 /nfs/dbraw/zinc/29/31/54/571293154.db2.gz LKQDJQKCXOTQGI-QGZVFWFLSA-N 0 0 362.458 3.944 50 30 FHEARN COC(=O)[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]3CC[C@H](OC(C)=O)[C@@]3(C)CC[C@@H]12 ZINC000257347588 571311604 /nfs/dbraw/zinc/31/16/04/571311604.db2.gz LTWLPBOTJIWDPF-UNUXFHLRSA-N 0 0 374.477 3.603 50 30 FHEARN COc1ccccc1CN(Cc1cccnc1)C(=O)c1ccc(C#N)cc1 ZINC000055099887 571318403 /nfs/dbraw/zinc/31/84/03/571318403.db2.gz BFSZVONKJFIXLD-UHFFFAOYSA-N 0 0 357.413 3.804 50 30 FHEARN COc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCCC2 ZINC000008495932 571320730 /nfs/dbraw/zinc/32/07/30/571320730.db2.gz IXIYHKDVLQAHIL-UHFFFAOYSA-N 0 0 371.487 3.634 50 30 FHEARN N#Cc1c2c(sc1NC(=O)c1sc3ncccc3c1N)CCCC2 ZINC000010010552 571321381 /nfs/dbraw/zinc/32/13/81/571321381.db2.gz FBUTUUCJQJEAQF-UHFFFAOYSA-N 0 0 354.460 3.943 50 30 FHEARN N#Cc1ccccc1/C=C/C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 ZINC000010546919 571321554 /nfs/dbraw/zinc/32/15/54/571321554.db2.gz OOHMWAADHZSAJO-IENJSVCTSA-N 0 0 356.429 3.854 50 30 FHEARN N#Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 ZINC000012809452 571322741 /nfs/dbraw/zinc/32/27/41/571322741.db2.gz ZGIAJUCBIVVHDZ-UHFFFAOYSA-N 0 0 362.454 3.949 50 30 FHEARN COc1ccccc1[C@H](C)NC(=O)Cn1cc(-c2ccccc2)ncc1=O ZINC000328593805 571323656 /nfs/dbraw/zinc/32/36/56/571323656.db2.gz LHLDWWNOKQDILA-HNNXBMFYSA-N 0 0 363.417 3.637 50 30 FHEARN N#Cc1ccc(CNC(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)c(F)c1 ZINC000078758199 571325904 /nfs/dbraw/zinc/32/59/04/571325904.db2.gz WYVIJGMIBKKDGL-CVEARBPZSA-N 0 0 373.225 3.880 50 30 FHEARN N#Cc1ccc(CNC(=O)[C@H]2C[C@H]2c2cccc(Br)c2)c(F)c1 ZINC000078758190 571325935 /nfs/dbraw/zinc/32/59/35/571325935.db2.gz WYVIJGMIBKKDGL-HOTGVXAUSA-N 0 0 373.225 3.880 50 30 FHEARN N#Cc1ccc(NC(=O)CN2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000095349084 571328805 /nfs/dbraw/zinc/32/88/05/571328805.db2.gz GPSOUHBKDDYANB-UHFFFAOYSA-N 0 0 356.429 3.767 50 30 FHEARN CS(=O)(=O)Nc1ccc(C(=O)/C=C\c2c(F)cccc2Cl)cc1 ZINC000096298494 571335183 /nfs/dbraw/zinc/33/51/83/571335183.db2.gz XFLHQZUCDQDUNH-KTKRTIGZSA-N 0 0 353.802 3.747 50 30 FHEARN CCO/C=C(\C(=O)c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000028293846 571338931 /nfs/dbraw/zinc/33/89/31/571338931.db2.gz ZBDHJSAPFXBWLI-FOWTUZBSSA-N 0 0 350.823 3.875 50 30 FHEARN Cc1sc(NC(=O)COc2c(F)c(F)cc(F)c2F)c(C#N)c1C ZINC000002752146 571340812 /nfs/dbraw/zinc/34/08/12/571340812.db2.gz ZUUBRQOCQQEQRY-UHFFFAOYSA-N 0 0 358.316 3.811 50 30 FHEARN Cc1sc(NC(=O)[C@H](C)n2ncc(Br)c2C)c(C#N)c1C ZINC000002781071 571340926 /nfs/dbraw/zinc/34/09/26/571340926.db2.gz ULPFNKCSYFFTFR-VIFPVBQESA-N 0 0 367.272 3.704 50 30 FHEARN C=CCNC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 ZINC000003041373 571343948 /nfs/dbraw/zinc/34/39/48/571343948.db2.gz KWRPSCXTQYTSBI-UHFFFAOYSA-N 0 0 371.651 3.773 50 30 FHEARN C=CCNC(=O)c1cc(Cl)c(=O)n(Cc2c(Cl)cccc2Cl)c1 ZINC000003041377 571343953 /nfs/dbraw/zinc/34/39/53/571343953.db2.gz DHBOQYMFWYGCKV-UHFFFAOYSA-N 0 0 371.651 3.773 50 30 FHEARN Cc1nc(C(=O)/C=C/N(C)C)cn1-c1ncc(C(F)(F)F)cc1Cl ZINC000003133134 571345000 /nfs/dbraw/zinc/34/50/00/571345000.db2.gz WZRWGKPPEKRYQZ-SNAWJCMRSA-N 0 0 358.751 3.506 50 30 FHEARN N#Cc1ccc(NC(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)cc1 ZINC000003345171 571347922 /nfs/dbraw/zinc/34/79/22/571347922.db2.gz YZDIKMRRYAZEFC-UHFFFAOYSA-N 0 0 366.392 3.691 50 30 FHEARN CCCCCOc1ccc(C(=O)OCC(=O)Nc2cccc(C#N)c2)cc1 ZINC000003348699 571348001 /nfs/dbraw/zinc/34/80/01/571348001.db2.gz HGTGXUGXLPIATL-UHFFFAOYSA-N 0 0 366.417 3.923 50 30 FHEARN COc1cc(C#N)ccc1OCC(=O)NCc1ccc(Cl)cc1Cl ZINC000003374604 571348698 /nfs/dbraw/zinc/34/86/98/571348698.db2.gz CVWAKZUBVPEEHY-UHFFFAOYSA-N 0 0 365.216 3.569 50 30 FHEARN C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1cccc(-n2cc[nH]c2=S)c1 ZINC000058163092 571348941 /nfs/dbraw/zinc/34/89/41/571348941.db2.gz ISTVTLLUZCWGNO-ZDUSSCGKSA-N 0 0 364.430 3.813 50 30 FHEARN CC(C)=C1Oc2c(ccc3c2[C@H](c2ccnn2C(C)C)CC(=O)O3)C1=O ZINC000217849899 571351110 /nfs/dbraw/zinc/35/11/10/571351110.db2.gz AMNYBHKTAIPKHN-ZDUSSCGKSA-N 0 0 352.390 3.774 50 30 FHEARN Cc1ccccc1-c1noc(CSCC(=O)Nc2cccc(C#N)c2)n1 ZINC000031422910 571352444 /nfs/dbraw/zinc/35/24/44/571352444.db2.gz OVJUHGNKKPSUIZ-UHFFFAOYSA-N 0 0 364.430 3.789 50 30 FHEARN COc1ccc(C(=O)c2c(NC(C)=O)c(C#N)c(C)n2-c2ccccc2)cc1 ZINC000003880360 571352799 /nfs/dbraw/zinc/35/27/99/571352799.db2.gz RJMMVQPDEVACPN-UHFFFAOYSA-N 0 0 373.412 3.855 50 30 FHEARN COc1cc2c(cc1OC)C(=CC(=O)c1ccc(CSC)cc1)NCC2 ZINC000004085628 571354946 /nfs/dbraw/zinc/35/49/46/571354946.db2.gz QACFFUCFXFLISO-PDGQHHTCSA-N 0 0 369.486 3.936 50 30 biogenic FHEARN O=C(C=C1NCCc2cc3c(cc21)OCO3)CCc1c[nH]c2ccccc12 ZINC000004090251 571355129 /nfs/dbraw/zinc/35/51/29/571355129.db2.gz SESGESYAKBHTJC-JMIUGGIZSA-N 0 0 360.413 3.585 50 30 biogenic FHEARN CCOc1ccc2c(c1)/C(=N/N=C1\C[C@H](c3ccccc3)N=N1)C(=O)N2C ZINC000004184947 571356583 /nfs/dbraw/zinc/35/65/83/571356583.db2.gz LTSMYVCXOYZSDC-GTKRGHOYSA-N 0 0 361.405 3.762 50 30 FHEARN CC(C)Cn1c2ccccc2nc1SCC(=O)N[C@](C)(C#N)C(C)C ZINC000004264242 571357404 /nfs/dbraw/zinc/35/74/04/571357404.db2.gz JTXZJYMCGLJQNB-LJQANCHMSA-N 0 0 358.511 3.839 50 30 FHEARN COc1ccccc1-c1cc(-c2ccc(C#N)cc2)nc(N2CCOCC2)n1 ZINC000670464078 571357816 /nfs/dbraw/zinc/35/78/16/571357816.db2.gz UDGYHEJMPUGSGA-UHFFFAOYSA-N 0 0 372.428 3.527 50 30 FHEARN N#Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 ZINC000007982287 571358040 /nfs/dbraw/zinc/35/80/40/571358040.db2.gz RKRZSIIRBZOPLC-INIZCTEOSA-N 0 0 367.836 3.703 50 30 FHEARN C[C@H](OC(=O)C1(c2ccccc2)CCCC1)C(=O)Nc1cccc(C#N)c1 ZINC000008273341 571360207 /nfs/dbraw/zinc/36/02/07/571360207.db2.gz CNPYRFNQHFYNTJ-INIZCTEOSA-N 0 0 362.429 3.940 50 30 FHEARN C[C@@H]1CCCC[C@H]1OCC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000331975884 945070083 /nfs/dbraw/zinc/07/00/83/945070083.db2.gz MLEKGWKSKPMGMJ-OXQOHEQNSA-N 0 0 356.466 3.523 50 30 FHEARN C=CCC(O)(CC=C)CNC(=O)c1cc(C[C@H](C)c2ccccc2)no1 ZINC000299776528 945133260 /nfs/dbraw/zinc/13/32/60/945133260.db2.gz CNKSDNJOFZTXRB-INIZCTEOSA-N 0 0 354.450 3.634 50 30 FHEARN COc1ccc(C(=O)/C=C\c2ccc3c(c2)sc(=O)n3C)cc1OC ZINC000588590140 938651447 /nfs/dbraw/zinc/65/14/47/938651447.db2.gz AAASEOOVGKIRMZ-YVMONPNESA-N 0 0 355.415 3.513 50 30 FHEARN CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C ZINC000047534131 945281790 /nfs/dbraw/zinc/28/17/90/945281790.db2.gz UMNWUULZMDRNCB-LBPRGKRZSA-N 0 0 367.478 3.627 50 30 FHEARN Cc1ncc(NC(=O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccncc2)s1 ZINC000328979459 942231866 /nfs/dbraw/zinc/23/18/66/942231866.db2.gz RBCUPNXERGDNBV-WMLDXEAASA-N 0 0 356.451 3.577 50 30 FHEARN N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCCCO2 ZINC000329776944 944244592 /nfs/dbraw/zinc/24/45/92/944244592.db2.gz OOCIQCRINPZEIG-MOPGFXCFSA-N 0 0 362.429 3.760 50 30 FHEARN N#Cc1ccccc1N1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000047138149 944629682 /nfs/dbraw/zinc/62/96/82/944629682.db2.gz YJRBHVHEQWEFLT-UHFFFAOYSA-N 0 0 363.505 3.813 50 30 FHEARN CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1O ZINC000000662884 210259551 /nfs/dbraw/zinc/25/95/51/210259551.db2.gz NSYNQPBFPMKWQF-UHFFFAOYSA-N 0 0 354.402 3.919 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1 ZINC000000628447 210253446 /nfs/dbraw/zinc/25/34/46/210253446.db2.gz JIVDNMWILIQLHA-GOSISDBHSA-N 0 0 357.425 3.993 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1 ZINC000000629480 210253460 /nfs/dbraw/zinc/25/34/60/210253460.db2.gz IPVUJUCLQYBCRD-IBGZPJMESA-N 0 0 369.461 3.862 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(C)n1 ZINC000000626948 210252020 /nfs/dbraw/zinc/25/20/20/210252020.db2.gz NWZWLKWHCPYGHL-LJQANCHMSA-N 0 0 354.450 3.557 50 30 FHEARN COc1cc(C2=N/C(=C/c3ccc(C#N)cc3)C(=O)O2)ccc1OC(F)F ZINC000096635186 210238860 /nfs/dbraw/zinc/23/88/60/210238860.db2.gz YDDAWKCLZYEDRT-RIYZIHGNSA-N 0 0 370.311 3.513 50 30 FHEARN C=CCn1c(S[C@H]2CCCC[C@@H]2O)nc2sc(C)c(C)c2c1=O ZINC000089565203 210237228 /nfs/dbraw/zinc/23/72/28/210237228.db2.gz HNUDOOHXSFTJHO-STQMWFEESA-N 0 0 350.509 3.656 50 30 FHEARN Cc1cc([O-])c(C[NH+]2CCC(C)CC2)c2c1C(=O)/C(=C/c1cccnc1)O2 ZINC000020589848 210236715 /nfs/dbraw/zinc/23/67/15/210236715.db2.gz ORDXGXKFAFMEQL-ODLFYWEKSA-N 0 0 364.445 3.944 50 30 FHEARN COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(C)=O)ccc3C1=O)cn2C ZINC000009422245 210231336 /nfs/dbraw/zinc/23/13/36/210231336.db2.gz VEQDWPXHWXPTFP-DNTJNYDQSA-N 0 0 363.369 3.728 50 30 FHEARN CCC(=O)Oc1ccc2c(c1)O/C(=C\c1cc(OC)ccc1OC)C2=O ZINC000005825964 210230507 /nfs/dbraw/zinc/23/05/07/210230507.db2.gz DCIBBEWLSDORDS-ZDLGFXPLSA-N 0 0 354.358 3.635 50 30 biogenic FHEARN C=CCN(C(=O)c1cnc2ccccc2n1)c1nc2c(s1)CCCC2 ZINC000021897763 210157646 /nfs/dbraw/zinc/15/76/46/210157646.db2.gz RDXLVZHZBBRVJN-UHFFFAOYSA-N 0 0 350.447 3.798 50 30 FHEARN C=CCSc1nnc(NC(=O)c2cc(=O)c3cc(CC)ccc3o2)s1 ZINC000016977788 210148890 /nfs/dbraw/zinc/14/88/90/210148890.db2.gz DDFONZNAWBFJDP-UHFFFAOYSA-N 0 0 373.459 3.737 50 30 FHEARN C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccccn1 ZINC000016755537 210145818 /nfs/dbraw/zinc/14/58/18/210145818.db2.gz MENKTOOHMURDBR-UHFFFAOYSA-N 0 0 366.446 3.510 50 30 FHEARN C=C(C)COc1cccc(C(=O)NCc2nc(-c3cccs3)no2)c1 ZINC000013731544 210144017 /nfs/dbraw/zinc/14/40/17/210144017.db2.gz LMRXYTFZJQLYGE-UHFFFAOYSA-N 0 0 355.419 3.683 50 30 FHEARN C=CCn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nnc1C1CC1 ZINC000012685773 210142014 /nfs/dbraw/zinc/14/20/14/210142014.db2.gz VRBLNBMWVQMYBM-KRWDZBQOSA-N 0 0 368.506 3.627 50 30 FHEARN C#Cc1cccc(C(=O)N2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)c1 ZINC000011820107 210140051 /nfs/dbraw/zinc/14/00/51/210140051.db2.gz FITUXCWTFTVUOH-UHFFFAOYSA-N 0 0 363.367 3.535 50 30 FHEARN C=CCN1C(=O)[C@]([N-]c2cccc(C)[nH+]2)(C(F)(F)F)N=C1c1ccccc1 ZINC000012408220 210139761 /nfs/dbraw/zinc/13/97/61/210139761.db2.gz KCRZXYOWUDTBKM-GOSISDBHSA-N 0 0 374.366 3.536 50 30 FHEARN C=CCNc1nc(C(=O)OCc2c(F)c(F)c(F)c(F)c2F)cs1 ZINC000010136853 210137817 /nfs/dbraw/zinc/13/78/17/210137817.db2.gz VYQNXFGTRGZVBR-UHFFFAOYSA-N 0 0 364.295 3.794 50 30 FHEARN C=CCn1c(S[C@@H](C(=O)OC)c2ccccc2)nc2ccsc2c1=O ZINC000009450660 210136851 /nfs/dbraw/zinc/13/68/51/210136851.db2.gz RSMGIRJMKCGHGR-CQSZACIVSA-N 0 0 372.471 3.650 50 30 FHEARN C=CCNc1nnc(SCc2cc(Cl)c3c(c2)OCCO3)s1 ZINC000008328922 210135058 /nfs/dbraw/zinc/13/50/58/210135058.db2.gz BQBDPZUQARTXHV-UHFFFAOYSA-N 0 0 355.872 3.853 50 30 FHEARN C=CCN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C(=O)OCC)=C1C ZINC000008323719 210134970 /nfs/dbraw/zinc/13/49/70/210134970.db2.gz YPCYVGCILQWOAW-HNNXBMFYSA-N 0 0 368.355 3.795 50 30 FHEARN C=CCSc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000007709650 210125829 /nfs/dbraw/zinc/12/58/29/210125829.db2.gz ZSIXFARIAMJASK-UHFFFAOYSA-N 0 0 363.460 3.537 50 30 FHEARN C=CCNc1nc2ccccc2nc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000005180295 210105228 /nfs/dbraw/zinc/10/52/28/210105228.db2.gz RIDWHSLLVBSAKU-UHFFFAOYSA-N 0 0 368.462 3.645 50 30 FHEARN C=CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1nc2c(s1)CCCC2 ZINC000005511198 210105268 /nfs/dbraw/zinc/10/52/68/210105268.db2.gz WKWCNWSRMKCURR-UHFFFAOYSA-N 0 0 373.434 3.772 50 30 FHEARN C=CCOc1ccc(Cl)cc1[C@H]1CC(=O)NCc2nc3sccn3c21 ZINC000065430768 210099502 /nfs/dbraw/zinc/09/95/02/210099502.db2.gz SJWSPROBDJYVSX-CYBMUJFWSA-N 0 0 373.865 3.766 50 30 FHEARN C=C[C@H](C)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl ZINC000095965022 210089389 /nfs/dbraw/zinc/08/93/89/210089389.db2.gz NRBMRYAZNDYXLT-IFXJQAMLSA-N 0 0 368.864 3.598 50 30 FHEARN C=CCO[C@@H](C)C(=O)Nc1nc(-c2ccc([C@@H](C)NC(C)=O)cc2)cs1 ZINC000058218498 210070365 /nfs/dbraw/zinc/07/03/65/210070365.db2.gz GBYYLEGWFURSOB-OLZOCXBDSA-N 0 0 373.478 3.537 50 30 FHEARN C=C(C)COc1ccccc1C(=O)N1CCc2[nH]cnc2[C@H]1c1ccccn1 ZINC000055036619 210068393 /nfs/dbraw/zinc/06/83/93/210068393.db2.gz JDYCNVYYDJQRSO-OAQYLSRUSA-N 0 0 374.444 3.548 50 30 FHEARN C=CCn1cc([C@@H]2c3[nH]cnc3CCN2Cc2ccc(C)c(F)c2C)cn1 ZINC000072409756 210066822 /nfs/dbraw/zinc/06/68/22/210066822.db2.gz RVIJNZBHMUXYDJ-OAQYLSRUSA-N 0 0 365.456 3.696 50 30 FHEARN C=CCn1nc(C)c([C@H]2c3[nH]cnc3CCN2Cc2cc(C)c(C)o2)c1C ZINC000072426108 210066383 /nfs/dbraw/zinc/06/63/83/210066383.db2.gz FZWJLZOCHSGVHT-NRFANRHFSA-N 0 0 365.481 3.767 50 30 FHEARN C=CCOc1c(Cl)cc(CN2CCC(NC(C)=O)CC2)cc1Cl ZINC000055343861 210067675 /nfs/dbraw/zinc/06/76/75/210067675.db2.gz FFQLKTBODGRYPQ-UHFFFAOYSA-N 0 0 357.281 3.659 50 30 FHEARN Cc1cc(C#N)ccc1-c1cccc(C(=O)N(C)CCCc2nccn2C)c1 ZINC000299765311 210014644 /nfs/dbraw/zinc/01/46/44/210014644.db2.gz MAJMSSFJIOWHDJ-UHFFFAOYSA-N 0 0 372.472 3.972 50 30 FHEARN COc1cccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c1OC ZINC000000833250 219328903 /nfs/dbraw/zinc/32/89/03/219328903.db2.gz VDYWBPKDRUCFQH-UHFFFAOYSA-N 0 0 354.402 3.832 50 30 FHEARN CCOC(=O)N1CCc2c(C#N)c(NC(=O)C3CCCCC3)sc2C1 ZINC000006327366 219724680 /nfs/dbraw/zinc/72/46/80/219724680.db2.gz ZIVGLIFIDIAUKZ-UHFFFAOYSA-N 0 0 361.467 3.653 50 30 FHEARN CCc1ccc2c(c1)/C(=C1\S/C(=N/c3ccc(F)cc3)NC1=O)C(=O)N2 ZINC000006959108 219784154 /nfs/dbraw/zinc/78/41/54/219784154.db2.gz LHMZTRJJSMVMBA-FOCLMDBBSA-N 0 0 367.405 3.602 50 30 FHEARN C=CCSc1nnc(CC(OC)OC)n1-c1cccc(C(F)(F)F)c1 ZINC000003189652 212030409 /nfs/dbraw/zinc/03/04/09/212030409.db2.gz CSFKOIXWUMWJEV-UHFFFAOYSA-N 0 0 373.400 3.726 50 30 FHEARN CCc1nnc([C@H]2Cc3ccccc3CN2Cc2ccc(C#N)cc2F)o1 ZINC000058420557 212009050 /nfs/dbraw/zinc/00/90/50/212009050.db2.gz XEIKELJOIOQRIF-LJQANCHMSA-N 0 0 362.408 3.942 50 30 FHEARN O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(Oc2cccnc2)cc1 ZINC000058308009 212003652 /nfs/dbraw/zinc/00/36/52/212003652.db2.gz UJZHADFDQVCGQU-UHFFFAOYSA-N 0 0 358.361 3.690 50 30 FHEARN COC(=O)[C@@H](C#N)c1nc2ccccc2nc1Oc1ccc2ncccc2c1 ZINC000058297762 212003296 /nfs/dbraw/zinc/00/32/96/212003296.db2.gz MEPKCTBVBQNJFB-HNNXBMFYSA-N 0 0 370.368 3.750 50 30 FHEARN COc1cc(C[C@H](C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1O ZINC000057525121 211975705 /nfs/dbraw/zinc/97/57/05/211975705.db2.gz AHRTYILNRPALTE-GFCCVEGCSA-N 0 0 364.323 3.741 50 30 FHEARN N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc43)C2)cc1 ZINC000015512037 220154529 /nfs/dbraw/zinc/15/45/29/220154529.db2.gz SUKZATFJXWBNKZ-KRWDZBQOSA-N 0 0 355.397 3.703 50 30 FHEARN N#Cc1ccccc1S(=O)(=O)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC000016092423 220177793 /nfs/dbraw/zinc/17/77/93/220177793.db2.gz MLQNPLNOFOXJBV-UHFFFAOYSA-N 0 0 363.394 3.557 50 30 FHEARN N#Cc1ccsc1NC(=O)COC(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000021499479 211314645 /nfs/dbraw/zinc/31/46/45/211314645.db2.gz PQWSCRUYIXBSNH-UHFFFAOYSA-N 0 0 370.361 3.814 50 30 FHEARN CC(C)CCNc1c(C#N)c2c(c3nncn31)CN(Cc1ccccc1)CC2 ZINC000020677452 211293552 /nfs/dbraw/zinc/29/35/52/211293552.db2.gz RVIWNJJUEGWGCF-UHFFFAOYSA-N 0 0 374.492 3.617 50 30 FHEARN COc1ccc(Cn2c(Nc3cccc(C#N)c3)c3[nH]cccc-3c2=O)cc1 ZINC000021106994 211307244 /nfs/dbraw/zinc/30/72/44/211307244.db2.gz HPICZABXXRSMSU-OAQYLSRUSA-N 0 0 370.412 3.729 50 30 FHEARN CC1=C(C(=O)N2CCCCC2)[C@@H](c2cccc(F)c2)C2=C(CCCC2=O)N1 ZINC000020028820 211264179 /nfs/dbraw/zinc/26/41/79/211264179.db2.gz AVCCPECDVWFPJW-HXUWFJFHSA-N 0 0 368.452 3.806 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(SC)cc1 ZINC000020010972 211263761 /nfs/dbraw/zinc/26/37/61/211263761.db2.gz MPOBBWDVNJRYGR-GOSISDBHSA-N 0 0 357.475 3.940 50 30 FHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccncc1 ZINC000019867136 211259931 /nfs/dbraw/zinc/25/99/31/211259931.db2.gz QLHWMZAMVJTKST-GOSISDBHSA-N 0 0 354.450 3.639 50 30 FHEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000019314802 211213987 /nfs/dbraw/zinc/21/39/87/211213987.db2.gz HUXPABBBZWQTPV-QGZVFWFLSA-N 0 0 370.405 3.516 50 30 FHEARN COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000019315043 211213244 /nfs/dbraw/zinc/21/32/44/211213244.db2.gz SOUNQKFVLZJKJG-IBGZPJMESA-N 0 0 355.434 3.615 50 30 FHEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)cc1 ZINC000019287930 211212643 /nfs/dbraw/zinc/21/26/43/211212643.db2.gz KPGJUGFNXQDRLZ-GOSISDBHSA-N 0 0 355.434 3.616 50 30 FHEARN Brc1ccc(-c2csc(N=NCc3cccnc3)n2)cc1 ZINC000018254977 211197053 /nfs/dbraw/zinc/19/70/53/211197053.db2.gz GDQLKPLBVSEWKS-GIJQJNRQSA-N 0 0 359.252 3.836 50 30 FHEARN COc1cc(/C=C2\CC/C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O ZINC000018066836 211190788 /nfs/dbraw/zinc/19/07/88/211190788.db2.gz NZSRSKNDCCSSGY-CKOAPEAFSA-N 0 0 352.386 3.945 50 30 FHEARN CN(/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1)c1ccc(O)cc1 ZINC000017729323 211187217 /nfs/dbraw/zinc/18/72/17/211187217.db2.gz WYRANDZRMSANKW-MRCUWXFGSA-N 0 0 366.442 3.664 50 30 FHEARN COc1cc([C@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)ccc1O ZINC000018196778 211193207 /nfs/dbraw/zinc/19/32/07/211193207.db2.gz TZMZDKGPZWCDOD-FQEVSTJZSA-N 0 0 365.385 3.694 50 30 FHEARN COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(N4CCCC4)o3)S2)cc1 ZINC000018143659 211192348 /nfs/dbraw/zinc/19/23/48/211192348.db2.gz JEMMLKISHJYHQN-VBKFSLOCSA-N 0 0 369.446 3.780 50 30 FHEARN O=C(Nc1nc2nccc(-c3ccccc3)n2n1)C(Cl)(Cl)Cl ZINC000017180620 211181180 /nfs/dbraw/zinc/18/11/80/211181180.db2.gz UZIBEUAZXWUBHA-UHFFFAOYSA-N 0 0 356.600 3.750 50 30 FHEARN CC(=O)Nc1ccc(SCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 ZINC000015626705 211134609 /nfs/dbraw/zinc/13/46/09/211134609.db2.gz ZWGMLSXJRILODA-UHFFFAOYSA-N 0 0 359.838 3.901 50 30 FHEARN C[C@H](NC(=O)COc1ccc(C#N)cc1)c1ccccc1Br ZINC000014425988 211092948 /nfs/dbraw/zinc/09/29/48/211092948.db2.gz LRWMWKKWMGXOQZ-LBPRGKRZSA-N 0 0 359.223 3.577 50 30 FHEARN N#Cc1c(NC(=O)COc2ccccc2C#N)sc2c1CCCCC2 ZINC000014500592 211092154 /nfs/dbraw/zinc/09/21/54/211092154.db2.gz XOVYXOPUPOBLLS-UHFFFAOYSA-N 0 0 351.431 3.778 50 30 FHEARN Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(CC#N)cc2)CC1 ZINC000014249414 211088550 /nfs/dbraw/zinc/08/85/50/211088550.db2.gz PEFGEOHDWGSYEB-UHFFFAOYSA-N 0 0 361.445 3.552 50 30 FHEARN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000014157676 211079078 /nfs/dbraw/zinc/07/90/78/211079078.db2.gz LFODUGWPIAKYDC-SFHVURJKSA-N 0 0 357.816 3.502 50 30 FHEARN COC(=O)c1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000013733823 211054524 /nfs/dbraw/zinc/05/45/24/211054524.db2.gz UNLRULODCKFAFV-QGZVFWFLSA-N 0 0 366.417 3.970 50 30 FHEARN COc1cccc2ccc(/C=C3\S/C(=N/c4ccccn4)NC3=O)nc21 ZINC000013735839 211055868 /nfs/dbraw/zinc/05/58/68/211055868.db2.gz ZHVVWGDOMRFXNF-PTNGSMBKSA-N 0 0 362.414 3.530 50 30 FHEARN CC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccccc1OCc1ccccc1 ZINC000013125222 211023750 /nfs/dbraw/zinc/02/37/50/211023750.db2.gz WEFIGTVIYCQERC-HXUWFJFHSA-N 0 0 360.417 3.735 50 30 FHEARN CN1N=C(Nc2ccccc2Cl)C(=NNc2cccc(Cl)c2)C1=O ZINC000013125173 211025099 /nfs/dbraw/zinc/02/50/99/211025099.db2.gz LTELTHPAKDHILV-KGENOOAVSA-N 0 0 362.220 3.659 50 30 FHEARN CCn1nnc2cc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)ccc21 ZINC000012943059 211010315 /nfs/dbraw/zinc/01/03/15/211010315.db2.gz VHZIZAIIVYUTRP-UHFFFAOYSA-N 0 0 374.429 3.699 50 30 FHEARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C/c2ccccc2C#N)c1 ZINC000012987278 211015332 /nfs/dbraw/zinc/01/53/32/211015332.db2.gz SRCPVOHSYLLFLS-JTPHSUOKSA-N 0 0 362.429 3.952 50 30 FHEARN CC(=O)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@H]1C)C2=O ZINC000009303028 210824979 /nfs/dbraw/zinc/82/49/79/210824979.db2.gz MDFDEFGCSPMYBK-LKEIMFIWSA-N 0 0 362.381 3.978 50 30 FHEARN N#Cc1cccnc1SCC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000007051494 210726031 /nfs/dbraw/zinc/72/60/31/210726031.db2.gz GIFGPEBTXRYJDK-UHFFFAOYSA-N 0 0 351.475 3.527 50 30 FHEARN Cc1ccc(NC(=O)[C@@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1Cl ZINC000006478141 210674648 /nfs/dbraw/zinc/67/46/48/210674648.db2.gz TYRVLOZZXBXUGT-CFNZNRNTSA-N 0 0 360.763 3.696 50 30 FHEARN COCCNC(=S)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1 ZINC000005937162 210649189 /nfs/dbraw/zinc/64/91/89/210649189.db2.gz MCQAZCVZKDTTFM-MRXNPFEDSA-N 0 0 359.882 3.928 50 30 FHEARN O=[N+]([O-])c1ccccc1C=NN1C(=S)N=NC1c1ccccc1Cl ZINC000005764089 210639454 /nfs/dbraw/zinc/63/94/54/210639454.db2.gz FINQRMKFTQTLIS-RQZCQDPDSA-N 0 0 359.798 3.678 50 30 FHEARN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccccc2)nc1 ZINC000005646518 210633239 /nfs/dbraw/zinc/63/32/39/210633239.db2.gz ZHNDHBRMBMLIPC-OAQYLSRUSA-N 0 0 373.456 3.997 50 30 FHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000005445264 210620748 /nfs/dbraw/zinc/62/07/48/210620748.db2.gz YJTJRWGYGPOAHZ-IBGZPJMESA-N 0 0 362.429 3.517 50 30 FHEARN Cc1cc(-c2csc(NC(=O)COc3ccccc3C#N)n2)c(C)n1C ZINC000005262133 210611268 /nfs/dbraw/zinc/61/12/68/210611268.db2.gz VQFZPGWSMLJPME-UHFFFAOYSA-N 0 0 366.446 3.655 50 30 FHEARN C=CCN1C(=O)[C@@H](Cc2ccc(F)cc2)S/C1=N\N=C\c1ccccc1 ZINC000005047098 210594505 /nfs/dbraw/zinc/59/45/05/210594505.db2.gz QCOVCJQGBPASPF-BLUIXAOTSA-N 0 0 367.449 3.888 50 30 FHEARN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=Cc2ccc(OC)cc2)C1=O ZINC000004703152 210555054 /nfs/dbraw/zinc/55/50/54/210555054.db2.gz GKDAXAKMXGTXJC-LDADJPATSA-N 0 0 367.376 3.712 50 30 FHEARN C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)Nc1cccc(C#N)c1 ZINC000004548482 210539617 /nfs/dbraw/zinc/53/96/17/210539617.db2.gz RPEIARUVXWARCQ-LLVKDONJSA-N 0 0 368.393 3.867 50 30 FHEARN CCSc1cc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)c(C)o1 ZINC000004014586 210502018 /nfs/dbraw/zinc/50/20/18/210502018.db2.gz VQSOOZRIVFOQDB-KRWDZBQOSA-N 0 0 361.463 3.841 50 30 FHEARN C[C@H](CCc1ccccc1)N1CC(=O)C(c2nc3ccccc3s2)=C1N ZINC000003252733 210459424 /nfs/dbraw/zinc/45/94/24/210459424.db2.gz NWFCOEBKVHSZFR-CQSZACIVSA-N 0 0 363.486 3.830 50 30 FHEARN CN(c1ccccc1)c1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1 ZINC000003094642 210449492 /nfs/dbraw/zinc/44/94/92/210449492.db2.gz GQKBZHWKVBTLDE-LTGZKZEYSA-N 0 0 365.458 3.767 50 30 FHEARN CC[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccc(OC)cc2)C1=O ZINC000002347236 210393101 /nfs/dbraw/zinc/39/31/01/210393101.db2.gz NRBHCSIBRSJHSG-HSWSJEDYSA-N 0 0 357.435 3.532 50 30 FHEARN COc1ccccc1/C=N/N=C1\S[C@@H](C)C(=O)N1Cc1ccccc1 ZINC000002341344 210392032 /nfs/dbraw/zinc/39/20/32/210392032.db2.gz PPEZDBPTJBHWJX-KFNXNMOMSA-N 0 0 353.447 3.549 50 30 FHEARN Cc1ccc(N=C(NC(=O)c2ccccc2)Nc2nc(C)cc(C)n2)cc1 ZINC000002268784 210388657 /nfs/dbraw/zinc/38/86/57/210388657.db2.gz LPXUMDFQCGYLJH-UHFFFAOYSA-N 0 0 359.433 3.931 50 30 FHEARN N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1N1CCOCC1 ZINC000002405457 210397001 /nfs/dbraw/zinc/39/70/01/210397001.db2.gz HZTLXVNEBJZNBB-UHFFFAOYSA-N 0 0 361.401 3.629 50 30 FHEARN CCCN1C(=O)NC(C(F)(F)F)(C(F)(F)F)C2=C1CC(C)(C)CC2=O ZINC000002401017 210396711 /nfs/dbraw/zinc/39/67/11/210396711.db2.gz RFZKTDGDIUKZJO-UHFFFAOYSA-N 0 0 372.309 3.928 50 30 FHEARN COc1ccc(CCNc2oc(COc3ccc(F)cc3)nc2C#N)cc1 ZINC000002205953 210382836 /nfs/dbraw/zinc/38/28/36/210382836.db2.gz BRUSNJKVUJBKGT-UHFFFAOYSA-N 0 0 367.380 3.928 50 30 FHEARN COC(=O)c1sccc1NC=C1C(=O)CC[C@@H](c2ccccc2)C1=O ZINC000002141730 210381042 /nfs/dbraw/zinc/38/10/42/210381042.db2.gz TUILIDKDMNVYJT-UQRISPGASA-N 0 0 355.415 3.546 50 30 FHEARN CN(C)N1C(=O)C[C@H](c2ccccc2C(F)(F)F)C2=C1CCCC2=O ZINC000001422726 210351476 /nfs/dbraw/zinc/35/14/76/210351476.db2.gz RELQGJUOWFPFFO-GFCCVEGCSA-N 0 0 352.356 3.505 50 30 FHEARN CCc1ccc(N=C2NC(=O)C[C@@H](C(=O)Nc3ccc(C)cc3)N2)cc1 ZINC000001461582 210354913 /nfs/dbraw/zinc/35/49/13/210354913.db2.gz RFZNGLTVXIFNOS-KRWDZBQOSA-N 0 0 350.422 3.502 50 30 FHEARN O=C(C=Cc1ccco1)C[C@@]1(O)C(=O)Nc2ccc(Br)cc21 ZINC000001255516 210339745 /nfs/dbraw/zinc/33/97/45/210339745.db2.gz ZUEDAGBPQYPQOZ-APHBUQMISA-N 0 0 362.179 3.504 50 30 FHEARN Cc1ccc(S(=O)(=O)N(C)/N=C/c2ccc(Cl)cc2Cl)cc1 ZINC000001227063 210336510 /nfs/dbraw/zinc/33/65/10/210336510.db2.gz SEKTYHKCZCAEFZ-VCHYOVAHSA-N 0 0 357.262 3.956 50 30 FHEARN Cc1ccc(S(=O)(=O)N/N=C/c2cccn2-c2ccc(Cl)cc2)cc1 ZINC000001182475 210330855 /nfs/dbraw/zinc/33/08/55/210330855.db2.gz ZBVFPIZLWPNZRY-DEDYPNTBSA-N 0 0 373.865 3.752 50 30 FHEARN CCOc1cc(C#N)c(NC(=O)COc2ccccc2C)cc1OCC ZINC000001080186 210315460 /nfs/dbraw/zinc/31/54/60/210315460.db2.gz CEBHRSOMTJNCAW-UHFFFAOYSA-N 0 0 354.406 3.682 50 30 FHEARN O=S(=O)(/N=C/c1cc(Br)ccc1O)c1ccc(Cl)cc1 ZINC000000949462 210294336 /nfs/dbraw/zinc/29/43/36/210294336.db2.gz ZFAOUQCOCKTEEP-LZYBPNLTSA-N 0 0 374.643 3.616 50 30 FHEARN C[C@H]1CCc2c(C#N)c(NC(=O)Cc3ccc4c(c3)OCO4)sc2C1 ZINC000009521379 210287113 /nfs/dbraw/zinc/28/71/13/210287113.db2.gz DMCPPOXPHGZSES-NSHDSACASA-N 0 0 354.431 3.654 50 30 FHEARN CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000000870983 210283717 /nfs/dbraw/zinc/28/37/17/210283717.db2.gz RKHGFHLAYLUXLD-IBGZPJMESA-N 0 0 350.418 3.690 50 30 FHEARN CC(=O)SCC(=O)[C@H](C#N)c1nc2ccc(C(F)(F)F)cc2s1 ZINC000009452483 210283036 /nfs/dbraw/zinc/28/30/36/210283036.db2.gz LPXVNYXQAJDRIQ-VIFPVBQESA-N 0 0 358.366 3.771 50 30 FHEARN COc1ccc(NC(=O)CSc2nc3c(cc2C#N)CCCC3)cc1 ZINC000000851167 210280281 /nfs/dbraw/zinc/28/02/81/210280281.db2.gz OPKABTARKIHOMZ-UHFFFAOYSA-N 0 0 353.447 3.571 50 30 FHEARN O=C1c2ccccc2N[C@H](c2ccccc2O)N1/N=C/c1ccccc1O ZINC000000849522 210280104 /nfs/dbraw/zinc/28/01/04/210280104.db2.gz AGTQNRSMKCRTKH-BOURKTIISA-N 0 0 359.385 3.698 50 30 FHEARN Cc1cccc(OCc2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)c1 ZINC000000794761 210270284 /nfs/dbraw/zinc/27/02/84/210270284.db2.gz PECYTDMSIWTWMO-UHFFFAOYSA-N 0 0 363.373 3.775 50 30 FHEARN N#Cc1cccc(OCCSc2nc3ccccc3c(=O)n2C2CC2)c1 ZINC000048356025 221010671 /nfs/dbraw/zinc/01/06/71/221010671.db2.gz LPERHELRZHLTKS-UHFFFAOYSA-N 0 0 363.442 3.774 50 30 FHEARN C#CCN(Cc1nc2c3ccccc3oc2c(=O)[nH]1)[C@H]1CCc2ccccc21 ZINC000052845825 221041031 /nfs/dbraw/zinc/04/10/31/221041031.db2.gz ACNUNXDGGOLADL-SFHVURJKSA-N 0 0 369.424 3.792 50 30 FHEARN Cn1cc(-c2nc(C(=O)Nc3cccc(C#N)c3)cs2)c2cccnc21 ZINC000065241056 221184423 /nfs/dbraw/zinc/18/44/23/221184423.db2.gz HYNYZYMBHXCFON-UHFFFAOYSA-N 0 0 359.414 3.821 50 30 FHEARN Cc1ccccc1CC(=O)N1CCCn2cc(-c3cccc(C#N)c3)nc21 ZINC000065259585 221189642 /nfs/dbraw/zinc/18/96/42/221189642.db2.gz GWOKGKYGSYAFJV-UHFFFAOYSA-N 0 0 356.429 3.710 50 30 FHEARN Cc1ccc(-c2c[nH]nc2[C@@H]2CCCN(C(=O)c3ccc(C#N)nc3)C2)cc1 ZINC000067433316 221254409 /nfs/dbraw/zinc/25/44/09/221254409.db2.gz BEKDYIVQWPVTDG-GOSISDBHSA-N 0 0 371.444 3.672 50 30 FHEARN N#Cc1c(N)nc(-c2ccccn2)cc1-c1cnc(-c2cccs2)nc1 ZINC000067967762 221310380 /nfs/dbraw/zinc/31/03/80/221310380.db2.gz XZSXBTDNVPVNGM-UHFFFAOYSA-N 0 0 356.414 3.783 50 30 FHEARN COc1cc(-c2cc(-c3cc[nH]c3)nc(N)c2C#N)c(OC)cc1SC ZINC000071419391 221348216 /nfs/dbraw/zinc/34/82/16/221348216.db2.gz OUDAGLDWLFVDLO-UHFFFAOYSA-N 0 0 366.446 3.937 50 30 FHEARN COc1cc(-c2cc(-c3cccc(NC(C)=O)c3)nc(N)c2C#N)ccc1O ZINC000071764258 221371790 /nfs/dbraw/zinc/37/17/90/221371790.db2.gz SWBOOUSRXFDUTC-UHFFFAOYSA-N 0 0 374.400 3.542 50 30 FHEARN C[C@@]1(c2ccc(-c3ccc(Br)cc3)cc2)O[C@@H](O)C=CC1=O ZINC000071769381 221373817 /nfs/dbraw/zinc/37/38/17/221373817.db2.gz SRVMANVGDMJQHJ-MSOLQXFVSA-N 0 0 359.219 3.805 50 30 FHEARN Cc1cc(NC[C@@H](O)c2ccccc2F)n2c3ccccc3nc2c1C#N ZINC000071887022 221385985 /nfs/dbraw/zinc/38/59/85/221385985.db2.gz NAMZNXDMHHNOQU-LJQANCHMSA-N 0 0 360.392 3.952 50 30 FHEARN C(=N/N1CCN(c2ccccn2)CC1)\c1ccc(OCc2ccccc2)cc1 ZINC000100575206 132233117 /nfs/dbraw/zinc/23/31/17/132233117.db2.gz CSMUIIHZLFOIRP-XIEYBQDHSA-N 0 0 372.472 3.817 50 30 FHEARN C=C(C)COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000007499522 132259172 /nfs/dbraw/zinc/25/91/72/132259172.db2.gz ICRWZKRQVSDMOF-UHFFFAOYSA-N 0 0 354.425 3.743 50 30 FHEARN C=CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cc1 ZINC000032450388 132374309 /nfs/dbraw/zinc/37/43/09/132374309.db2.gz VEENUGKKCDREQC-UHFFFAOYSA-N 0 0 372.852 3.994 50 30 FHEARN O=C1c2cc(F)ccc2OCC/C1=C\c1ccc(N2CCOCC2)cc1 ZINC000012526864 132858688 /nfs/dbraw/zinc/85/86/88/132858688.db2.gz ZWIXIGIMERJJOK-DTQAZKPQSA-N 0 0 353.393 3.711 50 30 FHEARN N#Cc1ccc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1 ZINC000020246967 132895162 /nfs/dbraw/zinc/89/51/62/132895162.db2.gz PYICUCWRPVPFAU-UHFFFAOYSA-N 0 0 366.774 3.952 50 30 FHEARN Cc1cccc(N2CCc3nc(N)c(C#N)c(-c4cccc(O)c4)c3C2)c1 ZINC000071764373 136140704 /nfs/dbraw/zinc/14/07/04/136140704.db2.gz QXVORYGZESXLKX-UHFFFAOYSA-N 0 0 356.429 3.779 50 30 FHEARN N#Cc1ccnc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)c1 ZINC000071918402 136141465 /nfs/dbraw/zinc/14/14/65/136141465.db2.gz ABEMOWQSHRRQQX-UHFFFAOYSA-N 0 0 352.463 3.674 50 30 FHEARN COc1ccc(NN=C(C)c2cc3c(C)cc(=O)oc3c(C)c2O)cc1 ZINC000096343766 222116582 /nfs/dbraw/zinc/11/65/82/222116582.db2.gz OFLOQTZMGJVFJK-BKUYFWCQSA-N 0 0 352.390 3.960 50 30 FHEARN O=C(C1=C(O)C(=O)O[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000096793950 222130519 /nfs/dbraw/zinc/13/05/19/222130519.db2.gz GNIURVKIGJJOQX-MRXNPFEDSA-N 0 0 359.721 3.541 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@H]1c1ccco1 ZINC000097104977 222159813 /nfs/dbraw/zinc/15/98/13/222159813.db2.gz KUNIDKNJJNODQH-OXJNMPFZSA-N 0 0 370.401 3.616 50 30 FHEARN CCN(CC)/C(=N/S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000100307123 222240325 /nfs/dbraw/zinc/24/03/25/222240325.db2.gz PZHWTJPTJXPFBN-HTXNQAPBSA-N 0 0 350.871 3.817 50 30 FHEARN COc1cc(C(=O)/C=C2/Sc3ccccc3N2C)cc(OC)c1OC ZINC000100287892 222240340 /nfs/dbraw/zinc/24/03/40/222240340.db2.gz IDFFNPMULPXOJZ-WOJGMQOQSA-N 0 0 357.431 3.979 50 30 FHEARN COc1ccc(/N=C2/S/C(=C\c3ccc(OC)c(O)c3)C(=O)N2C)cc1 ZINC000100260711 222240702 /nfs/dbraw/zinc/24/07/02/222240702.db2.gz MCHXVZRANJJQQQ-GDOHLEIWSA-N 0 0 370.430 3.643 50 30 FHEARN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000100439932 222244076 /nfs/dbraw/zinc/24/40/76/222244076.db2.gz YAUAALOIVRUZST-LFVOPCPISA-N 0 0 374.371 3.847 50 30 FHEARN Cc1ccc(N2C(=O)C[C@H](Sc3nc(C)c(C)c(C)c3C#N)C2=O)cc1 ZINC000100583658 222248188 /nfs/dbraw/zinc/24/81/88/222248188.db2.gz SXKSXRRPEVRXEC-KRWDZBQOSA-N 0 0 365.458 3.611 50 30 FHEARN O=C1c2ccccc2C(=O)C(NCCc2c[nH]c3ccccc23)=C1Cl ZINC000100927246 222257776 /nfs/dbraw/zinc/25/77/76/222257776.db2.gz CSTIXMXNLMLLJY-UHFFFAOYSA-N 0 0 350.805 3.830 50 30 FHEARN COC(=O)/C=C1\S/C(=N\c2ccc(F)cc2)N(c2ccc(F)cc2)C1=O ZINC000101613641 222278989 /nfs/dbraw/zinc/27/89/89/222278989.db2.gz XKFTWNNKGVYMHA-WVPXGCSDSA-N 0 0 374.368 3.789 50 30 FHEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2)no1 ZINC000102805521 222308749 /nfs/dbraw/zinc/30/87/49/222308749.db2.gz JGZUCISDUCPYFX-SELCWUDQSA-N 0 0 360.369 3.609 50 30 FHEARN CC(=O)[C@@H]1[C@H](c2ccccc2)C(C#N)(C#N)[C@@H](c2ccccc2)C[C@]1(C)O ZINC000107173230 222391038 /nfs/dbraw/zinc/39/10/38/222391038.db2.gz KKHGJDYWHZQWDQ-CZYKHXBRSA-N 0 0 358.441 3.947 50 30 FHEARN COc1ccc2c(c1)/C(=N/OC(=O)c1ccc(OC)c(OC)c1)CCC2 ZINC000001028231 263142091 /nfs/dbraw/zinc/14/20/91/263142091.db2.gz HGYXKQJOJACMFE-HEHNFIMWSA-N 0 0 355.390 3.610 50 30 FHEARN Cc1cc(OCC(=O)Nc2ccccc2C#N)cc(C)c1Br ZINC000001159864 263143412 /nfs/dbraw/zinc/14/34/12/263143412.db2.gz FEFKKCHNZRRHFD-UHFFFAOYSA-N 0 0 359.223 3.955 50 30 FHEARN C=CCOc1ccc(/C=C2/C(=O)N(CCC)C(=S)N2C)cc1Cl ZINC000004681728 263335682 /nfs/dbraw/zinc/33/56/82/263335682.db2.gz KIDRPDSTXQMSNT-KAMYIIQDSA-N 0 0 350.871 3.715 50 30 FHEARN Cc1cc(OCC(=O)ONC(=N)c2ccc(Cl)cc2)cc(C)c1Cl ZINC000004723501 263336752 /nfs/dbraw/zinc/33/67/52/263336752.db2.gz QYWRLUBZVUWLFT-UHFFFAOYSA-N 0 0 367.232 3.853 50 30 FHEARN COc1ccc2c(c1)CCC/C2=N/OC(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000005060376 263338786 /nfs/dbraw/zinc/33/87/86/263338786.db2.gz AMKNKIKTAKVVBI-SILNSSARSA-N 0 0 370.361 3.509 50 30 FHEARN N#CC1(NC(=O)CSc2nnc(Nc3ccccc3)s2)CCCCC1 ZINC000006560011 263346028 /nfs/dbraw/zinc/34/60/28/263346028.db2.gz GYCCMKPOYFJTPQ-UHFFFAOYSA-N 0 0 373.507 3.716 50 30 FHEARN N#CCCn1cc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c2ccccc21 ZINC000006821506 263347502 /nfs/dbraw/zinc/34/75/02/263347502.db2.gz OEMBMBGVUGHVKY-UHFFFAOYSA-N 0 0 373.334 3.618 50 30 FHEARN CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(C#N)cc2)cc1 ZINC000007122387 263349342 /nfs/dbraw/zinc/34/93/42/263349342.db2.gz MQPBGYRUWWZZGO-CQSZACIVSA-N 0 0 364.401 3.725 50 30 FHEARN Cc1nc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)[nH]c1Cc1ccccc1 ZINC000009946756 263362775 /nfs/dbraw/zinc/36/27/75/263362775.db2.gz ZFDXFDLCDVTODK-QRWLVFNGSA-N 0 0 370.522 3.844 50 30 FHEARN CNC(=S)N=NCc1ccc(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000012374323 263370755 /nfs/dbraw/zinc/37/07/55/263370755.db2.gz XXXWMDUYHFMIEC-JMIUGGIZSA-N 0 0 363.870 3.767 50 30 FHEARN C/C(=N/N1CCN(Cc2ccccc2Cl)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000019771848 263376503 /nfs/dbraw/zinc/37/65/03/263376503.db2.gz GKDCYDHTHCBRLI-QNGOZBTKSA-N 0 0 372.856 3.790 50 30 FHEARN N#CCC(=O)Nc1ccc(C(=O)OCC(=O)c2cccc3ccccc32)cc1 ZINC000021989157 263385103 /nfs/dbraw/zinc/38/51/03/263385103.db2.gz JAGGHYJKWPDWEB-UHFFFAOYSA-N 0 0 372.380 3.732 50 30 FHEARN Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)OCCCC#N)c2)c1 ZINC000023076123 263386879 /nfs/dbraw/zinc/38/68/79/263386879.db2.gz UVQYNQYOUXCRGW-UHFFFAOYSA-N 0 0 372.446 3.565 50 30 FHEARN CC(=O)Nc1sc(N=NCc2ccc(O)cc2)nc1-c1cccs1 ZINC000031906048 263392307 /nfs/dbraw/zinc/39/23/07/263392307.db2.gz SWFVPBGTOPXYQV-MFOYZWKCSA-N 0 0 358.448 3.982 50 30 FHEARN C#CCn1c2c(cccc2Cl)s/c1=N\C(=O)c1ccc(C#N)cc1 ZINC000100910030 263436600 /nfs/dbraw/zinc/43/66/00/263436600.db2.gz NSKCFACEFBJPPR-UZYVYHOESA-N 0 0 351.818 3.602 50 30 FHEARN C#CCn1c2ccc(F)cc2s/c1=N\C(=O)c1ccc(Cl)s1 ZINC000100875390 518343181 /nfs/dbraw/zinc/34/31/81/518343181.db2.gz XBBYWVYMDYPTNW-SDXDJHTJSA-N 0 0 350.827 3.931 50 30 FHEARN C(=NN=c1cc(N2CCCCC2)[nH]c(N2CCCCC2)n1)c1cccs1 ZINC000252320855 518377763 /nfs/dbraw/zinc/37/77/63/518377763.db2.gz YCMQQLRBCTVJNP-UHFFFAOYSA-N 0 0 370.526 3.965 50 30 FHEARN C=C(C)CN(CC)C(=O)CN[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000060089250 518590721 /nfs/dbraw/zinc/59/07/21/518590721.db2.gz ZKVBTQVEHGBTEP-QFIPXVFZSA-N 0 0 370.468 3.938 50 30 FHEARN C=C(C)Cn1c(CCCNC(=O)COc2ccccc2)nc2ccccc21 ZINC000002721557 518639408 /nfs/dbraw/zinc/63/94/08/518639408.db2.gz RFOHKDGSKMTJMI-UHFFFAOYSA-N 0 0 363.461 3.740 50 30 FHEARN C=CCN(Cc1cccs1)Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000023804915 518791090 /nfs/dbraw/zinc/79/10/90/518791090.db2.gz OZYMFSWWCJXOOV-UHFFFAOYSA-N 0 0 357.504 3.723 50 30 FHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)Cc1ccc(OC)cc1 ZINC000007720818 518799527 /nfs/dbraw/zinc/79/95/27/518799527.db2.gz UDRDVRATKVRFBF-UHFFFAOYSA-N 0 0 363.417 3.503 50 30 FHEARN C=CCNC(=O)c1ccc(N2CCCN(Cc3ccc(F)cc3)C2=O)cc1 ZINC000064687964 518935495 /nfs/dbraw/zinc/93/54/95/518935495.db2.gz UVJLXQAJJCJUJY-UHFFFAOYSA-N 0 0 367.424 3.574 50 30 FHEARN C=CCn1c(C)nnc1SCC(=O)Nc1cc(C(C)(C)C)ccc1OC ZINC000003415542 519172478 /nfs/dbraw/zinc/17/24/78/519172478.db2.gz NDQDVGZAJYRQGI-UHFFFAOYSA-N 0 0 374.510 3.809 50 30 FHEARN C=CCn1c(C)nnc1S[C@@H](C)C(=O)N[C@H](CCC)c1ccccc1 ZINC000032559448 519174473 /nfs/dbraw/zinc/17/44/73/519174473.db2.gz WQZOFLRECJYNJI-WMLDXEAASA-N 0 0 358.511 3.911 50 30 FHEARN C=CCn1c(SCC(=O)c2cc(C)n(C)c2C)nc2ccsc2c1=O ZINC000009113822 519230125 /nfs/dbraw/zinc/23/01/25/519230125.db2.gz UNEXOPBFAXJYMF-UHFFFAOYSA-N 0 0 373.503 3.574 50 30 FHEARN C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2)nc2sccc2c1=O ZINC000036800674 519252147 /nfs/dbraw/zinc/25/21/47/519252147.db2.gz QCEWDSFPRDIZPQ-LBPRGKRZSA-N 0 0 371.487 3.763 50 30 FHEARN C=CCn1c2ccc(OCC)cc2s/c1=N\C(=O)c1ccc(C#N)cc1 ZINC000100875005 519262298 /nfs/dbraw/zinc/26/22/98/519262298.db2.gz DRDLRHUUARSGIL-XDOYNYLZSA-N 0 0 363.442 3.900 50 30 FHEARN CC(C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 ZINC000002258743 519750833 /nfs/dbraw/zinc/75/08/33/519750833.db2.gz GEHYARGEFQJDRP-MRXNPFEDSA-N 0 0 366.465 3.672 50 30 FHEARN CCCC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1ccccc1F ZINC000020849251 519881005 /nfs/dbraw/zinc/88/10/05/519881005.db2.gz LKYXZMLQSZSXMX-ATJXCDBQSA-N 0 0 368.364 3.983 50 30 FHEARN CCCCCCCCCCCCn1c(=S)[nH]c2c1c(=O)[nH]c(=O)n2C ZINC000008435523 520014792 /nfs/dbraw/zinc/01/47/92/520014792.db2.gz MQEGJXUSFPYOTG-UHFFFAOYSA-N 0 0 366.531 3.633 50 30 FHEARN CCCCCCCNC1=C(C(=O)CCC)C(O)=C(C(=O)OC)C(C)(C)C1 ZINC000100319800 520054948 /nfs/dbraw/zinc/05/49/48/520054948.db2.gz PBBGNTOZCRYZCV-SFHVURJKSA-N 0 0 365.514 3.958 50 30 FHEARN CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O ZINC000101662191 520068158 /nfs/dbraw/zinc/06/81/58/520068158.db2.gz DCHYEZSKRGMUSB-OAQYLSRUSA-N 0 0 373.497 3.913 50 30 FHEARN CC1(C)Cc2cccc(OCC(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)c2O1 ZINC000006313648 520583527 /nfs/dbraw/zinc/58/35/27/520583527.db2.gz PQXRPTWXDKPOHZ-CQSZACIVSA-N 0 0 361.401 3.532 50 30 FHEARN CCCCOc1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000004327515 520919683 /nfs/dbraw/zinc/91/96/83/520919683.db2.gz MGOBKWAROVUNBE-MRXNPFEDSA-N 0 0 366.465 3.865 50 30 FHEARN CCCCSc1nnc(C(F)F)n1/N=C/c1ccccc1[N+](=O)[O-] ZINC000036611936 520978268 /nfs/dbraw/zinc/97/82/68/520978268.db2.gz YCRBVJMWOPEBGY-RQZCQDPDSA-N 0 0 355.370 3.898 50 30 FHEARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(OC)c1)C2=O ZINC000005901222 521217205 /nfs/dbraw/zinc/21/72/05/521217205.db2.gz SMHWVUGKYYYCDK-JFENUBAZSA-N 0 0 368.385 3.642 50 30 biogenic FHEARN CCOc1cccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)c1O ZINC000019790547 521314108 /nfs/dbraw/zinc/31/41/08/521314108.db2.gz DFLGMQSIIWEGOA-HYARGMPZSA-N 0 0 373.884 3.596 50 30 FHEARN CCOc1cccc(C=NN2C(=S)N=NC2c2ccc(C)cc2)c1O ZINC000252394278 521328030 /nfs/dbraw/zinc/32/80/30/521328030.db2.gz DDURSZSLRSHXPX-UHFFFAOYSA-N 0 0 354.435 3.529 50 30 FHEARN CC[C@@H](C)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1 ZINC000002367030 522001574 /nfs/dbraw/zinc/00/15/74/522001574.db2.gz WQQIXFOUKOQUCN-CVEARBPZSA-N 0 0 366.465 3.817 50 30 aggregator FHEARN COc1cc(C=Nn2c(C)n[nH]c2=S)ccc1OCc1ccc(F)cc1 ZINC000005648646 522002881 /nfs/dbraw/zinc/00/28/81/522002881.db2.gz PNDLRHQYDPKQBF-KEBDBYFISA-N 0 0 372.425 3.858 50 30 FHEARN CC[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2n1CCC#N ZINC000008710184 523154529 /nfs/dbraw/zinc/15/45/29/523154529.db2.gz OSJRGHAKZWVSSI-OAHLLOKOSA-N 0 0 356.495 3.833 50 30 FHEARN COc1ccc(-c2csc(N=NC(C)c3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000035653427 523159726 /nfs/dbraw/zinc/15/97/26/523159726.db2.gz CTWJIFXUACMBJW-UDWIEESQSA-N 0 0 368.418 3.985 50 30 FHEARN COc1ccc(/C(C)=N\N=C2/NC(=O)[C@@H](Cc3cccc(C)c3)S2)cc1 ZINC000015659989 523365028 /nfs/dbraw/zinc/36/50/28/523365028.db2.gz SPSBSBSUQXNRJA-QWQBBLJPSA-N 0 0 367.474 3.558 50 30 FHEARN COc1ccc(C(=N)NOC(=O)Nc2ccccc2)cc1OC1CCCC1 ZINC000004364247 523367948 /nfs/dbraw/zinc/36/79/48/523367948.db2.gz DPKREWRUBCQDCE-UHFFFAOYSA-N 0 0 369.421 3.886 50 30 FHEARN CCc1cc2c(ncnc2SCC(=O)[C@@H](C#N)c2nc(C)cs2)s1 ZINC000007823474 523851379 /nfs/dbraw/zinc/85/13/79/523851379.db2.gz MSIYLAGAOMUHNT-GFCCVEGCSA-N 0 0 374.516 3.987 50 30 FHEARN CC[C@H](C)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1 ZINC000002367032 523888411 /nfs/dbraw/zinc/88/84/11/523888411.db2.gz WQQIXFOUKOQUCN-HOTGVXAUSA-N 0 0 366.465 3.817 50 30 aggregator FHEARN Cc1cc(C)c(C#N)c(S[C@@H](C)C(=O)N(CCC#N)c2ccccc2)n1 ZINC000005642842 524218054 /nfs/dbraw/zinc/21/80/54/524218054.db2.gz ZXXVFSSIHSKFLO-INIZCTEOSA-N 0 0 364.474 3.998 50 30 FHEARN COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O ZINC000005164632 524362147 /nfs/dbraw/zinc/36/21/47/524362147.db2.gz AEWHVTGTVLCLPQ-NDENLUEZSA-N 0 0 373.364 3.926 50 30 FHEARN COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2cccs2)cc1 ZINC000003410507 524649966 /nfs/dbraw/zinc/64/99/66/524649966.db2.gz PKZDWBIEORIWKR-UHFFFAOYSA-N 0 0 352.419 3.786 50 30 FHEARN Cc1cccc([C@H](C(=O)N2CCC(c3cccc(C#N)c3)CC2)N(C)C)c1 ZINC000091695830 524859021 /nfs/dbraw/zinc/85/90/21/524859021.db2.gz VBNWBCOBDAZNTC-JOCHJYFZSA-N 0 0 361.489 3.876 50 30 FHEARN Cc1ccc(C2N=NC(=S)N2N=Cc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000252429321 525854770 /nfs/dbraw/zinc/85/47/70/525854770.db2.gz CIULBBMAMMCPQW-UHFFFAOYSA-N 0 0 373.825 3.986 50 30 FHEARN COc1cccc(N=C(Nc2cccc(C#N)c2)n2sc(C)cc2=N)c1 ZINC000020344049 526135553 /nfs/dbraw/zinc/13/55/53/526135553.db2.gz NFCOQPLITOXOCL-UHFFFAOYSA-N 0 0 363.446 3.866 50 30 FHEARN N#CCCN(CCC#N)Cn1nc(-c2ccccc2F)n(C2CC2)c1=S ZINC000014086592 526454413 /nfs/dbraw/zinc/45/44/13/526454413.db2.gz DMZLCGASISFCOT-UHFFFAOYSA-N 0 0 370.457 3.642 50 30 FHEARN N#Cc1ccccc1C(=O)N1CCC[C@H](c2nccn2Cc2ccccc2)C1 ZINC000082125720 526735176 /nfs/dbraw/zinc/73/51/76/526735176.db2.gz IDWIJUIEXGYFMP-FQEVSTJZSA-N 0 0 370.456 3.823 50 30 FHEARN NC(=NOCc1noc(-c2ccsc2)n1)c1ccc(C(F)(F)F)cc1 ZINC000004389657 526812360 /nfs/dbraw/zinc/81/23/60/526812360.db2.gz OAEDZFKIVXSWLC-UHFFFAOYSA-N 0 0 368.340 3.654 50 30 FHEARN O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1cccs1)c1ccccc1 ZINC000102930594 526957285 /nfs/dbraw/zinc/95/72/85/526957285.db2.gz LRFRHTIQYUDRBV-GROYHEBESA-N 0 0 365.410 3.963 50 30 FHEARN O=C(C=Cc1ccco1)C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 ZINC000001115621 527639348 /nfs/dbraw/zinc/63/93/48/527639348.db2.gz BXFBPGZEDQHGMW-OTOIZHKDSA-N 0 0 373.408 3.687 50 30 FHEARN COc1ccccc1N1CCN(/N=C/c2ccc(Br)cc2)CC1 ZINC000000946046 537062632 /nfs/dbraw/zinc/06/26/32/537062632.db2.gz MZAXUFIVNZTRGL-XSFVSMFZSA-N 0 0 374.282 3.614 50 30 FHEARN C=CCC1=C[C@@](OC)([C@H](C)Cc2ccc(OC)c(OC)c2)C(OC)=CC1=O ZINC000085995149 560063038 /nfs/dbraw/zinc/06/30/38/560063038.db2.gz MVOMQPWLJRZYDT-IVZQSRNASA-N 0 0 372.461 3.883 50 30 biogenic,in-vitro FHEARN N#Cc1cc(N=NCc2c(O)ccc3ccccc32)c([N+](=O)[O-])cc1C#N ZINC000005777236 568493413 /nfs/dbraw/zinc/49/34/13/568493413.db2.gz MDYPMCKRZMSPNW-SSDVNMTOSA-N 0 0 357.329 3.643 50 30 FHEARN CC(=O)Nc1ccc(/N=C/c2ccc(I)o2)cc1 ZINC000000681021 570448853 /nfs/dbraw/zinc/44/88/53/570448853.db2.gz XYSVENHXSBBFMU-OVCLIPMQSA-N 0 0 354.147 3.593 50 30 FHEARN C=CCOc1ccc(/C=C/C(=O)OCC(=O)NCCC2=CCCCC2)cc1 ZINC000010524087 570456951 /nfs/dbraw/zinc/45/69/51/570456951.db2.gz YMXYPVMOLHKUDX-JLHYYAGUSA-N 0 0 369.461 3.815 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccc(N(C)C)cc1 ZINC000004821535 570514900 /nfs/dbraw/zinc/51/49/00/570514900.db2.gz VUXJHYQFPWFCAW-PXNSSMCTSA-N 0 0 353.418 3.665 50 30 FHEARN Cc1cc(Sc2ccccn2)nc(NC=C2C(=O)c3ccccc3C2=O)n1 ZINC000002562051 570524916 /nfs/dbraw/zinc/52/49/16/570524916.db2.gz LQFNWZSNUSPOHJ-UHFFFAOYSA-N 0 0 374.425 3.706 50 30 FHEARN Cc1cccn2c(=O)c(/C=N/Cc3ccccc3)c(NCc3ccco3)nc12 ZINC000002675021 570527455 /nfs/dbraw/zinc/52/74/55/570527455.db2.gz ZPYWZIVVBOJDQE-HZHRSRAPSA-N 0 0 372.428 3.827 50 30 FHEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc2c(c1)CCC(=O)N2 ZINC000023881867 570545199 /nfs/dbraw/zinc/54/51/99/570545199.db2.gz AIALQVZQVHXCCH-UHFFFAOYSA-N 0 0 367.408 3.618 50 30 FHEARN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000004857320 570551136 /nfs/dbraw/zinc/55/11/36/570551136.db2.gz UAHLQBDVTZIETF-DIFFPNOSSA-N 0 0 354.431 3.666 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004919679 570559603 /nfs/dbraw/zinc/55/96/03/570559603.db2.gz XDEMEAPCAVIKCG-QAPCUYQASA-N 0 0 355.346 3.507 50 30 FHEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc(C)o1 ZINC000004187006 570580888 /nfs/dbraw/zinc/58/08/88/570580888.db2.gz PWJCHSLZWDNADW-RDBACFOTSA-N 0 0 366.417 3.819 50 30 FHEARN CC(N=Nc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-])c1cccnc1 ZINC000004322610 570584787 /nfs/dbraw/zinc/58/47/87/570584787.db2.gz ROXSHQZFVPRBQI-UFWORHAWSA-N 0 0 369.259 3.753 50 30 FHEARN CCOC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)c(C#N)c1C ZINC000005145240 570590706 /nfs/dbraw/zinc/59/07/06/570590706.db2.gz YXTSZCUGJIQNKR-UHFFFAOYSA-N 0 0 371.443 3.967 50 30 FHEARN C=CCSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C1C(=O)CCCC1=N2 ZINC000004436252 570591208 /nfs/dbraw/zinc/59/12/08/570591208.db2.gz NVVOJGAGYGGHQS-KRWDZBQOSA-N 0 0 352.463 3.887 50 30 FHEARN C[C@@H](Nc1ccc(OCC(F)(F)F)cc1)C(=O)Nc1ccccc1C#N ZINC000011712601 570592256 /nfs/dbraw/zinc/59/22/56/570592256.db2.gz XISFPGSPHFWURY-GFCCVEGCSA-N 0 0 363.339 3.938 50 30 FHEARN CCCOc1c(OC)cccc1[C@H]1CC(=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000004488922 570592402 /nfs/dbraw/zinc/59/24/02/570592402.db2.gz RKIMGIDJDPXHCG-CQSZACIVSA-N 0 0 357.450 3.731 50 30 FHEARN C=CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)on2)nc1C ZINC000011917133 570601863 /nfs/dbraw/zinc/60/18/63/570601863.db2.gz DHWNCTLRCIQAGL-UHFFFAOYSA-N 0 0 369.402 3.702 50 30 FHEARN Cc1ccc(C(=O)ONC(=N)c2ccc(Br)cc2)cc1Cl ZINC000004803134 570607178 /nfs/dbraw/zinc/60/71/78/570607178.db2.gz NKEAYXTZXCQCQJ-UHFFFAOYSA-N 0 0 367.630 3.888 50 30 FHEARN C=CC[C@@H]1N(C(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)CCCC1(C)C ZINC000225512083 570609406 /nfs/dbraw/zinc/60/94/06/570609406.db2.gz KDICHCQSNUMJJM-PMACEKPBSA-N 0 0 372.509 3.856 50 30 FHEARN CC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccccc1OC(C)C ZINC000004839823 570609682 /nfs/dbraw/zinc/60/96/82/570609682.db2.gz LQHYAZQITZXTHN-FQEVSTJZSA-N 0 0 350.418 3.828 50 30 FHEARN COc1cc2c(cc1OC)C(NN=Cc1ccc(F)cc1)=NC(C)(C)C2 ZINC000004977659 570615190 /nfs/dbraw/zinc/61/51/90/570615190.db2.gz WRKOJISTDFVTLT-WSDLNYQXSA-N 0 0 355.413 3.548 50 30 FHEARN C/C(=N\N=C1/NC(=O)[C@@H](Cc2ccccc2)S1)c1ccc(Cl)cc1 ZINC000005214335 570622466 /nfs/dbraw/zinc/62/24/66/570622466.db2.gz GVZQMKQFOPTAKT-SVZNOHIVSA-N 0 0 357.866 3.894 50 30 FHEARN CCOc1ccc(OCC)c(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000005316690 570623676 /nfs/dbraw/zinc/62/36/76/570623676.db2.gz UXZCKUSBDVATPI-WOJGMQOQSA-N 0 0 374.353 3.746 50 30 FHEARN O=c1c2[nH]c3ccc(Br)cc3c2ncn1N=Cc1ccccc1 ZINC000252617936 570624148 /nfs/dbraw/zinc/62/41/48/570624148.db2.gz LBTFJRVESKIMRG-UHFFFAOYSA-N 0 0 367.206 3.523 50 30 FHEARN CN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccccc1 ZINC000005445532 570627338 /nfs/dbraw/zinc/62/73/38/570627338.db2.gz PUAJWFNNFSGBGQ-HNNXBMFYSA-N 0 0 372.218 3.657 50 30 FHEARN CCOc1ccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc1OC ZINC000005201257 570632449 /nfs/dbraw/zinc/63/24/49/570632449.db2.gz AJFDWEQDLDYBTE-SFQUDFHCSA-N 0 0 354.431 3.986 50 30 FHEARN O=S(=O)(N=C(Nc1ccc(O)cc1)c1ccccc1)c1ccccc1 ZINC000006023481 570640048 /nfs/dbraw/zinc/64/00/48/570640048.db2.gz VDONTALRFFJUOH-UHFFFAOYSA-N 0 0 352.415 3.640 50 30 FHEARN CC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccc(OC)cc2)C1=O ZINC000006358030 570643721 /nfs/dbraw/zinc/64/37/21/570643721.db2.gz NRBHCSIBRSJHSG-CXDOIHPCSA-N 0 0 357.435 3.532 50 30 FHEARN N#Cc1ccccc1NC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O ZINC000005270564 570645409 /nfs/dbraw/zinc/64/54/09/570645409.db2.gz HACGOUPHRFVTIX-UHFFFAOYSA-N 0 0 363.804 3.674 50 30 FHEARN COc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccccc3)CC2=Nc2ncnn21 ZINC000005306502 570646594 /nfs/dbraw/zinc/64/65/94/570646594.db2.gz OCYJNRBKNOXALJ-VFNWGFHPSA-N 0 0 372.428 3.702 50 30 FHEARN N#Cc1ccsc1NC(=O)COC(=O)c1cc2c(s1)CCCCC2 ZINC000005361875 570649995 /nfs/dbraw/zinc/64/99/95/570649995.db2.gz ANJHXZMLOKFDEW-UHFFFAOYSA-N 0 0 360.460 3.746 50 30 FHEARN O=C1C[C@H](c2ccco2)CC2=Nc3ncnn3[C@@H](c3cccc(Cl)c3)C12 ZINC000005425208 570654706 /nfs/dbraw/zinc/65/47/06/570654706.db2.gz UOFOKSALTPLFTD-XIKOKIGWSA-N 0 0 366.808 3.940 50 30 FHEARN COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000005445514 570656947 /nfs/dbraw/zinc/65/69/47/570656947.db2.gz VMELWDLOETZWLF-MRXNPFEDSA-N 0 0 357.793 3.557 50 30 FHEARN O=[N+]([O-])c1ccc(COc2ccc(/C=N/O)cc2Br)cc1 ZINC000006926353 570657224 /nfs/dbraw/zinc/65/72/24/570657224.db2.gz GEHVDAZBPXNQDZ-LZYBPNLTSA-N 0 0 351.156 3.744 50 30 FHEARN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)OCO4)S2)cc1C ZINC000005551722 570669437 /nfs/dbraw/zinc/66/94/37/570669437.db2.gz STAYMMLVGNMTSS-MFOYZWKCSA-N 0 0 352.415 3.924 50 30 FHEARN CCc1c(C)sc2nc(S[C@H](C)C#N)n(C[C@@H]3CCCO3)c(=O)c12 ZINC000005571494 570676578 /nfs/dbraw/zinc/67/65/78/570676578.db2.gz VUJVKGJWGCITET-PWSUYJOCSA-N 0 0 363.508 3.512 50 30 FHEARN COc1cccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c1OC ZINC000002590113 570680822 /nfs/dbraw/zinc/68/08/22/570680822.db2.gz RJMRVGOTKSIIMO-XNTDXEJSSA-N 0 0 358.394 3.735 50 30 FHEARN Cc1nnc(SCC(=O)Nc2sccc2C#N)n1-c1ccccc1C ZINC000005619379 570681220 /nfs/dbraw/zinc/68/12/20/570681220.db2.gz PWLTVRXBJAEQBG-UHFFFAOYSA-N 0 0 369.475 3.548 50 30 FHEARN O=C1CS/C(=N\N=C\c2ccc(Br)cc2)N1c1ccccc1 ZINC000012376748 570740476 /nfs/dbraw/zinc/74/04/76/570740476.db2.gz OVQRISXFOYLSBF-CIWBWUJOSA-N 0 0 374.263 3.919 50 30 FHEARN CC(C)[C@@H]1/C=C/C[C@](C)(O)C[C@@H]2O[C@@]2(C)C[C@@H]1OC(=O)c1ccc(O)cc1 ZINC000229937292 570759946 /nfs/dbraw/zinc/75/99/46/570759946.db2.gz JJEBKVFRHNKOBW-PIZFTLQDSA-N 0 0 374.477 3.838 50 30 FHEARN N#CNC(=N)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000004409848 570772428 /nfs/dbraw/zinc/77/24/28/570772428.db2.gz OLIZJBRDKFBKLZ-UHFFFAOYSA-N 0 0 367.381 3.631 50 30 FHEARN CSc1ncc(Cl)c(C(=O)Nc2ccc(N3CCCCC3)nc2)n1 ZINC000032753496 570794002 /nfs/dbraw/zinc/79/40/02/570794002.db2.gz QWMUTOXNALBGBL-UHFFFAOYSA-N 0 0 363.874 3.874 50 30 FHEARN CCCCSc1nnc(C(F)F)n1/N=C/c1cccc([N+](=O)[O-])c1 ZINC000013961094 570799270 /nfs/dbraw/zinc/79/92/70/570799270.db2.gz ZXBNLNWXKJYKHK-RQZCQDPDSA-N 0 0 355.370 3.898 50 30 FHEARN O=[N+]([O-])c1ccc(CC=CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000100966879 570801281 /nfs/dbraw/zinc/80/12/81/570801281.db2.gz AZLKHRNIZADEFX-MYBRLSGSSA-N 0 0 357.282 3.522 50 30 FHEARN N#Cc1ccc(NC(=O)C[S@@](=O)CCC23CC4CC(CC(C4)C2)C3)cc1 ZINC000032801449 570804672 /nfs/dbraw/zinc/80/46/72/570804672.db2.gz IFFAWFAQKFWEBN-GPXFITMTSA-N 0 0 370.518 3.852 50 30 FHEARN N#CC1(NC(=O)CN[C@H](c2cccs2)c2ccc(F)cc2)CCCC1 ZINC000014141755 570808853 /nfs/dbraw/zinc/80/88/53/570808853.db2.gz PANDDZMPOTUJED-SFHVURJKSA-N 0 0 357.454 3.519 50 30 FHEARN COc1ccc(NC(=O)c2cn(CCC#N)nc2-c2ccc(F)cc2)cc1 ZINC000004516906 570813952 /nfs/dbraw/zinc/81/39/52/570813952.db2.gz TXHQADDXKCUEHB-UHFFFAOYSA-N 0 0 364.380 3.864 50 30 FHEARN CS(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CCCCC3)c1 ZINC000004517892 570814961 /nfs/dbraw/zinc/81/49/61/570814961.db2.gz IAWTWZSXKAYTKO-UHFFFAOYSA-N 0 0 374.487 3.544 50 30 FHEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccccc1 ZINC000102577823 570833771 /nfs/dbraw/zinc/83/37/71/570833771.db2.gz YEPHVBYZWSGFCC-SFHVURJKSA-N 0 0 357.413 3.730 50 30 FHEARN C[C@@H](SCCOc1ccc(C#N)cc1)C(=O)Nc1ccc(F)c(F)c1 ZINC000015498500 570839440 /nfs/dbraw/zinc/83/94/40/570839440.db2.gz IZHUWSHBCKFHET-GFCCVEGCSA-N 0 0 362.401 3.976 50 30 FHEARN COC(=O)C1=C(Nc2cccc(C)c2)SC(=Cc2ccccn2)C1=O ZINC000103383602 570849235 /nfs/dbraw/zinc/84/92/35/570849235.db2.gz HAQXJDLJSSENCU-RVDMUPIBSA-N 0 0 352.415 3.544 50 30 FHEARN COc1ccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc1OC ZINC000016677853 570860182 /nfs/dbraw/zinc/86/01/82/570860182.db2.gz GDHSLDBYBIRKTR-STZFKDTASA-N 0 0 359.857 3.513 50 30 FHEARN O=C(CCc1nc2ccccc2s1)Nc1n[nH]c(-c2ccccn2)n1 ZINC000047343402 570886467 /nfs/dbraw/zinc/88/64/67/570886467.db2.gz XWMQLNIWWUDABG-UHFFFAOYSA-N 0 0 350.407 3.697 50 30 FHEARN Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)Cc1ccc([C@H]2C[C@H]2C)o1 ZINC000047642560 570905748 /nfs/dbraw/zinc/90/57/48/570905748.db2.gz SDCCTDRINQFXQD-KUHUBIRLSA-N 0 0 368.481 3.721 50 30 FHEARN Cc1ccc(NC(=NCc2ccncc2)NC(=O)c2cccc(F)c2)cc1 ZINC000045939907 570915096 /nfs/dbraw/zinc/91/50/96/570915096.db2.gz VLIYOSBCNNIFHP-UHFFFAOYSA-N 0 0 362.408 3.736 50 30 FHEARN CCc1ccccc1NC(=NC(=O)c1ccccc1)NC[C@H]1CCCO1 ZINC000046131152 570928518 /nfs/dbraw/zinc/92/85/18/570928518.db2.gz YDTDOEIYXDNJKH-GOSISDBHSA-N 0 0 351.450 3.626 50 30 FHEARN Cc1nc(C)c(-c2nnc(SCCOc3cccc(C#N)c3)o2)s1 ZINC000048365958 570951894 /nfs/dbraw/zinc/95/18/94/570951894.db2.gz XFKBTVXXZNUVRH-UHFFFAOYSA-N 0 0 358.448 3.853 50 30 FHEARN COc1cc(/C=C2/CCOc3ccc(F)cc3C2=O)cc(OC)c1OC ZINC000048521028 570956911 /nfs/dbraw/zinc/95/69/11/570956911.db2.gz DYZZCADFYZAISM-JYRVWZFOSA-N 0 0 358.365 3.900 50 30 FHEARN N#CCSCC(=O)N[C@H](c1ccc(Br)cc1)C1CCC1 ZINC000048810211 570960295 /nfs/dbraw/zinc/96/02/95/570960295.db2.gz HFJNNLUCOZKHNN-HNNXBMFYSA-N 0 0 353.285 3.663 50 30 FHEARN N#CCCN(C(=O)CN1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000025360186 570994921 /nfs/dbraw/zinc/99/49/21/570994921.db2.gz LTSGXQXNYYLBQI-HXUWFJFHSA-N 0 0 351.425 3.909 50 30 FHEARN C=CCOC(=O)COc1cc2oc(=O)cc(CCCC)c2cc1Cl ZINC000002975828 571000070 /nfs/dbraw/zinc/00/00/70/571000070.db2.gz HXBLWKHSQSFLDX-UHFFFAOYSA-N 0 0 350.798 3.897 50 30 FHEARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@H]1c1ccc(C#N)cc1 ZINC000008324215 571040249 /nfs/dbraw/zinc/04/02/49/571040249.db2.gz BBPBTKNHDYZMTP-IBGZPJMESA-N 0 0 361.401 3.666 50 30 FHEARN CCOc1cc2c(cc1OCC)CN(C(=O)c1cccc(C#N)c1)CC2 ZINC000008388567 571042781 /nfs/dbraw/zinc/04/27/81/571042781.db2.gz YSERFGLWAZQXCK-UHFFFAOYSA-N 0 0 350.418 3.554 50 30 FHEARN N#Cc1ccc(OCC(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1 ZINC000008708687 571056311 /nfs/dbraw/zinc/05/63/11/571056311.db2.gz QOHVMHQEBVOWCU-UHFFFAOYSA-N 0 0 358.800 3.921 50 30 FHEARN C[C@@H](Sc1nnc(CCC2CCCC2)[nH]1)C(=O)Nc1ccc(C#N)cc1 ZINC000008727420 571058157 /nfs/dbraw/zinc/05/81/57/571058157.db2.gz ZUSGCHQYZRJPEG-CYBMUJFWSA-N 0 0 369.494 3.918 50 30 FHEARN C[C@H](Sc1n[nH]c(-c2cccs2)n1)C(=O)Nc1cccc(C#N)c1 ZINC000008735004 571058737 /nfs/dbraw/zinc/05/87/37/571058737.db2.gz ZIXLYRKLXKAYOV-JTQLQIEISA-N 0 0 355.448 3.524 50 30 FHEARN O=c1[nH]c(NN=Cc2ccncc2)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000008771884 571061146 /nfs/dbraw/zinc/06/11/46/571061146.db2.gz BSYRAHJTWSBQAU-ZVHZXABRSA-N 0 0 371.444 3.646 50 30 FHEARN CCCCC1CCC(c2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)CC1 ZINC000008867812 571063863 /nfs/dbraw/zinc/06/38/63/571063863.db2.gz RNSNEBKUYZBMTE-UHFFFAOYSA-N 0 0 358.486 3.712 50 30 FHEARN C=CCN1c2cc(NC(=O)c3cccs3)ccc2OCC(C)(C)C1=O ZINC000008959579 571082761 /nfs/dbraw/zinc/08/27/61/571082761.db2.gz GUNWHQPDAMAPIZ-UHFFFAOYSA-N 0 0 356.447 3.938 50 30 FHEARN COCc1cc(C)nc(SCC(=O)Nc2cccc(C)c2C)c1C#N ZINC000037866241 571084406 /nfs/dbraw/zinc/08/44/06/571084406.db2.gz SSECRLOUEGFVTQ-UHFFFAOYSA-N 0 0 355.463 3.756 50 30 FHEARN N#Cc1nc(C2CC2)oc1N1CCN(Cc2csc3ccccc23)CC1 ZINC000040155762 571087305 /nfs/dbraw/zinc/08/73/05/571087305.db2.gz XWWKFKPEGCDZLH-UHFFFAOYSA-N 0 0 364.474 3.961 50 30 FHEARN N#CC1(NC(=O)C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)CCCC1 ZINC000084525300 571087830 /nfs/dbraw/zinc/08/78/30/571087830.db2.gz DMYUCWVYQWJQIW-HXUWFJFHSA-N 0 0 358.445 3.947 50 30 FHEARN CC(C)NC(=O)N1CCCCC[C@H]1C1CCN(c2ccc(C#N)cn2)CC1 ZINC000069814070 571103527 /nfs/dbraw/zinc/10/35/27/571103527.db2.gz ODXQMZIJNFIMFC-IBGZPJMESA-N 0 0 369.513 3.532 50 30 FHEARN O=C1c2ccc3c(c2O/C1=C\c1ccco1)CN(Cc1ccncc1)CO3 ZINC000009422356 571108801 /nfs/dbraw/zinc/10/88/01/571108801.db2.gz HURCAWDZPPGFJD-GRSHGNNSSA-N 0 0 360.369 3.643 50 30 FHEARN C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N(C)Cc1ccco1 ZINC000009513847 571111646 /nfs/dbraw/zinc/11/16/46/571111646.db2.gz BGDYMKDNNGLDQF-CYBMUJFWSA-N 0 0 357.479 3.941 50 30 FHEARN CC1(C)Cc2c(C#N)c(N3CCOCC3)nc(-c3ccco3)c2CS1 ZINC000013763487 571113582 /nfs/dbraw/zinc/11/35/82/571113582.db2.gz LSBBNIYVUQHPME-UHFFFAOYSA-N 0 0 355.463 3.618 50 30 FHEARN C=CCS(=O)(=O)N1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000012718513 571118337 /nfs/dbraw/zinc/11/83/37/571118337.db2.gz DGWHIPQFMSHOQB-HXUWFJFHSA-N 0 0 369.486 3.764 50 30 FHEARN C=CCn1c(C)cc(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)c1C ZINC000006110978 571122131 /nfs/dbraw/zinc/12/21/31/571122131.db2.gz VPWYBMHTRMZGBS-UHFFFAOYSA-N 0 0 355.463 3.562 50 30 FHEARN COc1ccc(/C=C2/Cc3cc(OC)c(OC)cc3C2=O)c(OC)c1OC ZINC000085875126 571127040 /nfs/dbraw/zinc/12/70/40/571127040.db2.gz KLDCRAOJJFKMSN-ZSOIEALJSA-N 0 0 370.401 3.552 50 30 FHEARN c1ccc([C@@H]2O[C@]23CCC[C@@]2(O[C@H]2c2ccccc2)C32OCCO2)cc1 ZINC000043214722 571132984 /nfs/dbraw/zinc/13/29/84/571132984.db2.gz PWNONDAOOROMHQ-XSDIEEQYSA-N 0 0 350.414 3.934 50 30 FHEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2)nc2ccccc2c1=O ZINC000000943200 571135252 /nfs/dbraw/zinc/13/52/52/571135252.db2.gz XHNFGVKQEZILQP-UHFFFAOYSA-N 0 0 365.458 3.622 50 30 FHEARN Cc1c(Cl)cccc1NC(=O)C1CCN(c2ccc(C#N)cn2)CC1 ZINC000025281968 571142662 /nfs/dbraw/zinc/14/26/62/571142662.db2.gz RSMIWPVEJONIAD-UHFFFAOYSA-N 0 0 354.841 3.770 50 30 FHEARN COc1cc(OC)c2ncc(C#N)c(OCc3nnc(C(C)C)s3)c2c1 ZINC000418959667 571150737 /nfs/dbraw/zinc/15/07/37/571150737.db2.gz BCOOSCAALRKGNX-UHFFFAOYSA-N 0 0 370.434 3.678 50 30 FHEARN O=C1CCCC2=Nc3nc4ccccc4n3[C@@H](c3ccc([N+](=O)[O-])cc3)C12 ZINC000004684711 571160159 /nfs/dbraw/zinc/16/01/59/571160159.db2.gz LNRWPVZXPKNSPC-IBGZPJMESA-N 0 0 360.373 3.967 50 30 FHEARN Cc1sc(NC(=O)Cc2csc(-c3ccccn3)n2)c(C#N)c1C ZINC000026362744 571161822 /nfs/dbraw/zinc/16/18/22/571161822.db2.gz JUYFQXLFTOFCRN-UHFFFAOYSA-N 0 0 354.460 3.936 50 30 FHEARN CN(C)/C=C\c1oc2ccc(Oc3ncccc3C#N)cc2c1[N+](=O)[O-] ZINC000005843203 571166599 /nfs/dbraw/zinc/16/65/99/571166599.db2.gz NSNYXHAAJNJHEF-CLFYSBASSA-N 0 0 350.334 3.932 50 30 FHEARN COC(=O)CN(Cc1ccccc1CC#N)c1ccc(Br)cc1 ZINC000001751988 571168037 /nfs/dbraw/zinc/16/80/37/571168037.db2.gz REIATFMRZLJSSM-UHFFFAOYSA-N 0 0 373.250 3.695 50 30 FHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCc4ccccc4C3)sc2C1 ZINC000034858980 571168112 /nfs/dbraw/zinc/16/81/12/571168112.db2.gz RUHMPNYDJGCFLC-CQSZACIVSA-N 0 0 365.502 3.741 50 30 FHEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000005921640 571168313 /nfs/dbraw/zinc/16/83/13/571168313.db2.gz QXYLFNQJVNBURI-MRXNPFEDSA-N 0 0 357.793 3.605 50 30 FHEARN Cc1cc(N[C@@H](C)C(=O)Nc2sccc2C#N)ccc1N1CCCC1 ZINC000012507654 571173221 /nfs/dbraw/zinc/17/32/21/571173221.db2.gz FCELBWOLGLWVNN-AWEZNQCLSA-N 0 0 354.479 3.968 50 30 FHEARN O=C(CC(O)(C(F)(F)F)C(F)(F)F)Nc1cccc(C(F)(F)F)c1 ZINC000002113234 571175499 /nfs/dbraw/zinc/17/54/99/571175499.db2.gz BGXGLXLBOAJQDI-UHFFFAOYSA-N 0 0 369.183 3.890 50 30 FHEARN CCc1ccc(-c2nc(CSc3ncc(C#N)c(N)n3)cs2)cc1 ZINC000012534308 571175899 /nfs/dbraw/zinc/17/58/99/571175899.db2.gz BVVONTHYAKSMBT-UHFFFAOYSA-N 0 0 353.476 3.909 50 30 FHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2cccc(O)c2)cc1 ZINC000019138358 571179253 /nfs/dbraw/zinc/17/92/53/571179253.db2.gz PMFSLAKDNNNEAA-LJQANCHMSA-N 0 0 365.429 3.935 50 30 FHEARN C=CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1cc(C)on1 ZINC000044085677 571182082 /nfs/dbraw/zinc/18/20/82/571182082.db2.gz VQSHMNGYZQMTGM-UHFFFAOYSA-N 0 0 354.435 3.763 50 30 FHEARN C=CCNc1nnc(SCC(=O)N2c3ccccc3CC[C@@H]2C)s1 ZINC000012613466 571191219 /nfs/dbraw/zinc/19/12/19/571191219.db2.gz KXSQNVNEOGRQHW-LBPRGKRZSA-N 0 0 360.508 3.596 50 30 FHEARN COc1cc2c(cc1/C=C1\S/C(=N\c3cccc(C)c3)NC1=O)OCO2 ZINC000004019388 571204354 /nfs/dbraw/zinc/20/43/54/571204354.db2.gz LVWXNUXBUOPRBU-IUXPMGMMSA-N 0 0 368.414 3.624 50 30 FHEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccccc1OC(F)F ZINC000006550148 571208788 /nfs/dbraw/zinc/20/87/88/571208788.db2.gz WHZLBJVCMMPEAO-UHFFFAOYSA-N 0 0 373.384 3.614 50 30 FHEARN CC(=O)C1=C(c2ccc(Cl)cc2)NC(=O)N[C@H]1c1ccc(C#N)cc1 ZINC000006549496 571208847 /nfs/dbraw/zinc/20/88/47/571208847.db2.gz PRCFYCOAYKOBDT-KRWDZBQOSA-N 0 0 351.793 3.566 50 30 FHEARN CCCOc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2ncnn21 ZINC000004368717 571213253 /nfs/dbraw/zinc/21/32/53/571213253.db2.gz KEFKBWBUAULCFO-SFHVURJKSA-N 0 0 352.438 3.725 50 30 FHEARN C=CCOc1ccc(/C=C\C(=O)N[C@@H](c2nccn2C)c2ccccc2)cc1 ZINC000098001835 571217700 /nfs/dbraw/zinc/21/77/00/571217700.db2.gz XKFJWUKPIRAUHO-QOYCNBSOSA-N 0 0 373.456 3.904 50 30 FHEARN COc1cccc(C=NNc2nc3ccccc3c(=O)n2-c2ccccc2)c1 ZINC000004737436 571227672 /nfs/dbraw/zinc/22/76/72/571227672.db2.gz PZFUBALNWNVWNY-HZHRSRAPSA-N 0 0 370.412 3.840 50 30 FHEARN CCn1cc(-c2c(N)sc(NC(=O)c3ccccc3)c2C#N)c(C)n1 ZINC000004742597 571230217 /nfs/dbraw/zinc/23/02/17/571230217.db2.gz RWGVPKWCNFEIST-UHFFFAOYSA-N 0 0 351.435 3.646 50 30 FHEARN CSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C#N)CCCC3)n1 ZINC000004810466 571237283 /nfs/dbraw/zinc/23/72/83/571237283.db2.gz QEWSASOPRUUNOC-UHFFFAOYSA-N 0 0 364.883 3.916 50 30 FHEARN N#Cc1ccc(-c2ccc(OCc3cc(=O)n4ccsc4n3)cc2)cc1 ZINC000006625460 571237621 /nfs/dbraw/zinc/23/76/21/571237621.db2.gz JESRESMHXSEHTK-UHFFFAOYSA-N 0 0 359.410 3.874 50 30 FHEARN COc1ccccc1-n1c(N)c(C#N)c2c(c1=S)CO[C@H](C(C)C)C2 ZINC000006719295 571243436 /nfs/dbraw/zinc/24/34/36/571243436.db2.gz MDBBYDDJQPMODB-KRWDZBQOSA-N 0 0 355.463 3.767 50 30 FHEARN C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(C#N)c(Cl)c2)CC1=O ZINC000006882215 571252972 /nfs/dbraw/zinc/25/29/72/571252972.db2.gz FXERTECWEPGMKG-CJNGLKHVSA-N 0 0 367.836 3.760 50 30 FHEARN COc1ccc(C)cc1NC(=O)CSc1nc(C)c(C)c(C)c1C#N ZINC000007060194 571259503 /nfs/dbraw/zinc/25/95/03/571259503.db2.gz CLWWWVJNZWEURL-UHFFFAOYSA-N 0 0 355.463 3.926 50 30 FHEARN C[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1sccc1C#N ZINC000007364201 571264810 /nfs/dbraw/zinc/26/48/10/571264810.db2.gz XEBQJLAQSYHHMR-LLVKDONJSA-N 0 0 369.475 3.535 50 30 FHEARN N#CCCN(C(=O)CN1CC=C(c2ccccc2)CC1)c1ccccc1F ZINC000007456905 571265854 /nfs/dbraw/zinc/26/58/54/571265854.db2.gz OJIINRDKANEAHL-UHFFFAOYSA-N 0 0 363.436 3.862 50 30 FHEARN C=CCn1c(SCOC(=O)C(C)(C)C)nc2sc(C)c(C)c2c1=O ZINC000170591383 571265862 /nfs/dbraw/zinc/26/58/62/571265862.db2.gz XFLMRWRZEIQFEH-UHFFFAOYSA-N 0 0 366.508 3.900 50 30 FHEARN N#Cc1c(NC(=O)COC(=O)CCC2CCCC2)sc2c1CCCC2 ZINC000007483732 571266086 /nfs/dbraw/zinc/26/60/86/571266086.db2.gz UPPMRVBJROETIR-UHFFFAOYSA-N 0 0 360.479 3.951 50 30 FHEARN C=CCn1c(SCc2ccc(OC)cn2)nc2sc(C)c(C)c2c1=O ZINC000170595581 571266371 /nfs/dbraw/zinc/26/63/71/571266371.db2.gz UUZJTOZZXMBOPN-UHFFFAOYSA-N 0 0 373.503 3.957 50 30 FHEARN N#Cc1cc(F)ccc1Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000170612190 571267731 /nfs/dbraw/zinc/26/77/31/571267731.db2.gz RXUMNZKQJIJMSF-UHFFFAOYSA-N 0 0 365.133 3.555 50 30 FHEARN C#Cc1cc(F)c(NCC(=O)Nc2ccc(OC)c(Cl)c2)c(F)c1 ZINC000170616340 571268317 /nfs/dbraw/zinc/26/83/17/571268317.db2.gz GNSRZQTYMHQKAD-UHFFFAOYSA-N 0 0 350.752 3.659 50 30 FHEARN Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Cc3cccc(C)c3)o2)cc1 ZINC000170623853 571269334 /nfs/dbraw/zinc/26/93/34/571269334.db2.gz GBUAKVBQBAOTOK-UHFFFAOYSA-N 0 0 352.415 3.804 50 30 FHEARN CCOc1ccc(C=Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000252461475 571279027 /nfs/dbraw/zinc/27/90/27/571279027.db2.gz MSOBSEFNQYOFBK-UHFFFAOYSA-N 0 0 358.463 3.620 50 30 FHEARN CCOC(=O)[C@](O)(c1ccc(N=Cc2ccccc2)cc1)C(F)(F)F ZINC000252588615 571283804 /nfs/dbraw/zinc/28/38/04/571283804.db2.gz ACYIYPOXWYESNT-QGZVFWFLSA-N 0 0 351.324 3.750 50 30 FHEARN COc1cc([N+](=O)[O-])cc(C=NNc2ccc(Br)cc2)c1[O-] ZINC000252601751 571284589 /nfs/dbraw/zinc/28/45/89/571284589.db2.gz FCOCMUCTNZBWBH-UHFFFAOYSA-N 0 0 366.171 3.518 50 30 FHEARN N#CCC(=O)Nc1ccc(C(=O)OCc2cc(-c3cccs3)on2)cc1 ZINC000007642844 571285234 /nfs/dbraw/zinc/28/52/34/571285234.db2.gz IQULFERPGIMDGX-UHFFFAOYSA-N 0 0 367.386 3.612 50 30 FHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1nc(-c2ccccc2)no1 ZINC000007672419 571285601 /nfs/dbraw/zinc/28/56/01/571285601.db2.gz AJQGIUDWFBLFOE-UHFFFAOYSA-N 0 0 374.356 3.657 50 30 FHEARN N#Cc1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)c1 ZINC000007670521 571285616 /nfs/dbraw/zinc/28/56/16/571285616.db2.gz NWYIWVLDUAZEFE-INIZCTEOSA-N 0 0 363.442 3.994 50 30 FHEARN Cc1ccc([C@H](NS(=O)(=O)c2ccc(C#N)cc2)c2cccs2)cc1 ZINC000007702498 571286011 /nfs/dbraw/zinc/28/60/11/571286011.db2.gz OFURCKVDXOXEHT-IBGZPJMESA-N 0 0 368.483 3.996 50 30 FHEARN Cn1ccnc1C(=O)c1cc(Sc2ncccc2C#N)nc2ccccc21 ZINC000007738663 571287798 /nfs/dbraw/zinc/28/77/98/571287798.db2.gz CLBBIJFUCVTWFC-UHFFFAOYSA-N 0 0 371.425 3.617 50 30 FHEARN c1ccc(COc2ccc(CN=Nc3nnnn3-c3ccccc3)cc2)cc1 ZINC000252631078 571289853 /nfs/dbraw/zinc/28/98/53/571289853.db2.gz VHOUQIWKPNQNKX-UHFFFAOYSA-N 0 0 370.416 3.687 50 30 FHEARN C[C@H]1CCc2c(C#N)c(NC(=O)CN(C)Cc3cccc(F)c3)sc2C1 ZINC000007843510 571290277 /nfs/dbraw/zinc/29/02/77/571290277.db2.gz CBENMFNZWVOQGJ-ZDUSSCGKSA-N 0 0 371.481 3.954 50 30 FHEARN COc1cc(C=NN=Cc2cc(Cl)c(O)c(OC)c2)cc(Cl)c1O ZINC000252638368 571291583 /nfs/dbraw/zinc/29/15/83/571291583.db2.gz YBNCXZCXUZNAPZ-UHFFFAOYSA-N 0 0 369.204 3.875 50 30 FHEARN COc1cc(C(=O)ON=C(C)c2ccc(Cl)cc2)cc(OC)c1OC ZINC000252643875 571292080 /nfs/dbraw/zinc/29/20/80/571292080.db2.gz ZYOGBBDELITAHV-UHFFFAOYSA-N 0 0 363.797 3.947 50 30 FHEARN N#Cc1cccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)c1 ZINC000007921078 571294301 /nfs/dbraw/zinc/29/43/01/571294301.db2.gz DGWIZWXAWQHFSI-UHFFFAOYSA-N 0 0 357.398 3.877 50 30 FHEARN COCc1cc(C)nc(SCC(=O)Nc2cc(C)cc(C)c2)c1C#N ZINC000006962996 571319791 /nfs/dbraw/zinc/31/97/91/571319791.db2.gz PCYIBEJJWVMXGC-UHFFFAOYSA-N 0 0 355.463 3.756 50 30 FHEARN Cc1ccccc1C(=O)Nc1cc(C#N)c2sc3ccccc3n2c1=O ZINC000009029261 571320927 /nfs/dbraw/zinc/32/09/27/571320927.db2.gz YHLKVLBIZLWPAC-UHFFFAOYSA-N 0 0 359.410 3.947 50 30 FHEARN N#Cc1cccnc1SCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000009189576 571321068 /nfs/dbraw/zinc/32/10/68/571321068.db2.gz RNHWPYCISAXXIG-UHFFFAOYSA-N 0 0 373.437 3.915 50 30 FHEARN N#Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000009426649 571321171 /nfs/dbraw/zinc/32/11/71/571321171.db2.gz BMQABLFWDNXBNC-UHFFFAOYSA-N 0 0 367.836 3.703 50 30 FHEARN CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ncccc2C#N)cc1 ZINC000426411551 571322012 /nfs/dbraw/zinc/32/20/12/571322012.db2.gz UFLNMBZJDBGNRC-IBGZPJMESA-N 0 0 373.460 3.661 50 30 FHEARN N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CC=CCC3)s2)cc1 ZINC000012798782 571322728 /nfs/dbraw/zinc/32/27/28/571322728.db2.gz TUXXLFZNGYMUCT-AWEZNQCLSA-N 0 0 356.476 3.997 50 30 FHEARN COc1cncnc1NC(=O)c1c(C)onc1-c1c(F)cccc1Cl ZINC000328595311 571323697 /nfs/dbraw/zinc/32/36/97/571323697.db2.gz QVTZMEIHMWHSCB-UHFFFAOYSA-N 0 0 362.748 3.877 50 30 FHEARN CO/N=C(/CN1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1 ZINC000020388073 571329150 /nfs/dbraw/zinc/32/91/50/571329150.db2.gz BMBJJYIQCUJEBO-PYCFMQQDSA-N 0 0 361.848 3.652 50 30 FHEARN CCCCn1ccnc1[C@@H]1CCCN(C(=O)Nc2cccc(C#N)c2)C1 ZINC000095523505 571331305 /nfs/dbraw/zinc/33/13/05/571331305.db2.gz XCRHMMUGPIQUJG-QGZVFWFLSA-N 0 0 351.454 3.966 50 30 FHEARN N#CCCSc1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000095953609 571332789 /nfs/dbraw/zinc/33/27/89/571332789.db2.gz GEIUCUBTDHKGNM-UHFFFAOYSA-N 0 0 367.390 3.729 50 30 FHEARN COc1ccccc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@H]2C1(C#N)C#N ZINC000021946978 571336319 /nfs/dbraw/zinc/33/63/19/571336319.db2.gz OTQACOQMALUWFM-BHDDXSALSA-N 0 0 369.424 3.686 50 30 FHEARN COc1ccc(-c2nc(C#N)c(NC[C@H](c3ccccc3)[NH+](C)C)o2)cc1 ZINC000027991193 571337355 /nfs/dbraw/zinc/33/73/55/571337355.db2.gz JZFRDJGGBPQWMD-LJQANCHMSA-N 0 0 362.433 3.937 50 30 FHEARN CC1CCC(NC(=O)CNc2ccccc2Oc2ncccc2C#N)CC1 ZINC000055844397 571338986 /nfs/dbraw/zinc/33/89/86/571338986.db2.gz NNDRSZYGZFBHGV-UHFFFAOYSA-N 0 0 364.449 3.852 50 30 FHEARN N#Cc1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 ZINC000002618591 571339182 /nfs/dbraw/zinc/33/91/82/571339182.db2.gz CBIXCKLIJQSUCP-UHFFFAOYSA-N 0 0 365.614 3.992 50 30 FHEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(C(F)(F)F)cn2)n1 ZINC000215706235 571339815 /nfs/dbraw/zinc/33/98/15/571339815.db2.gz UPKCREYZOVXTPF-UHFFFAOYSA-N 0 0 366.368 3.715 50 30 FHEARN CSc1ccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1 ZINC000002649796 571340103 /nfs/dbraw/zinc/34/01/03/571340103.db2.gz XLHXYJFYLTZLPQ-UHFFFAOYSA-N 0 0 371.531 3.901 50 30 FHEARN CCOC(=O)c1sc(NC(=O)Cc2ccc(Cl)cc2)c(C#N)c1C ZINC000002752418 571340755 /nfs/dbraw/zinc/34/07/55/571340755.db2.gz HYZBGZIFDVWDCM-UHFFFAOYSA-N 0 0 362.838 3.940 50 30 FHEARN Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000002781031 571340938 /nfs/dbraw/zinc/34/09/38/571340938.db2.gz BNEIDZXSFSSPNM-SECBINFHSA-N 0 0 368.384 3.832 50 30 FHEARN C[C@@H](Oc1ccc(C#N)cc1)c1nc2c3c4c(sc3ncn2n1)CCC4 ZINC000002787483 571340995 /nfs/dbraw/zinc/34/09/95/571340995.db2.gz IRULMTUXKGHGGU-LLVKDONJSA-N 0 0 361.430 3.839 50 30 FHEARN Cc1ccc(S(=O)(=O)N(OC(=O)c2ccccc2)c2ccccc2)cc1 ZINC000003014205 571343517 /nfs/dbraw/zinc/34/35/17/571343517.db2.gz ONZUHIJFDSCSPL-UHFFFAOYSA-N 0 0 367.426 3.962 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1F ZINC000057478235 571343584 /nfs/dbraw/zinc/34/35/84/571343584.db2.gz ZJZZOAZVCDCEPF-SFHVURJKSA-N 0 0 363.388 3.957 50 30 FHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CNc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000030284733 571345367 /nfs/dbraw/zinc/34/53/67/571345367.db2.gz FCJDKIQCCAQGRB-LLVKDONJSA-N 0 0 370.434 3.703 50 30 FHEARN N#Cc1ccccc1NC(=O)COC(=O)c1ccccc1Cc1ccccc1 ZINC000003235765 571345884 /nfs/dbraw/zinc/34/58/84/571345884.db2.gz FEIJUYJLBMCNBI-UHFFFAOYSA-N 0 0 370.408 3.945 50 30 FHEARN Cc1nn(-c2ccc(C)cc2)c2c1cc(C#N)c1nc3ccccc3c(=O)n21 ZINC000003304721 571346987 /nfs/dbraw/zinc/34/69/87/571346987.db2.gz VANGTWSEYINGBK-UHFFFAOYSA-N 0 0 365.396 3.675 50 30 FHEARN N#CCSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1 ZINC000003563653 571351112 /nfs/dbraw/zinc/35/11/12/571351112.db2.gz JIUOPTXXGIXPMF-UHFFFAOYSA-N 0 0 359.357 3.603 50 30 FHEARN CCOC(=O)c1sc(N=NCc2ccccc2Br)nc1C ZINC000003959052 571353527 /nfs/dbraw/zinc/35/35/27/571353527.db2.gz ZBFMKTIIERSZST-LZYBPNLTSA-N 0 0 368.256 3.837 50 30 FHEARN COc1cccc(-c2nc3c(C#N)c(-c4ccc5c(c4)OCO5)ccn3n2)c1 ZINC000004050935 571354494 /nfs/dbraw/zinc/35/44/94/571354494.db2.gz AXOWKAWDXDPKQF-UHFFFAOYSA-N 0 0 370.368 3.672 50 30 FHEARN N#Cc1c2c(c(C3CCCCC3)nc1OCC(=O)N1CCCCC1)CCC2 ZINC000032087629 571355479 /nfs/dbraw/zinc/35/54/79/571355479.db2.gz SKMDTNOMMZZJSC-UHFFFAOYSA-N 0 0 367.493 3.881 50 30 FHEARN CC1CCC(C#N)(N(C)C(=O)CSc2nnc(C3CC3)n2C2CC2)CC1 ZINC000008132398 571359391 /nfs/dbraw/zinc/35/93/91/571359391.db2.gz YRHODLGCRSFPNK-UHFFFAOYSA-N 0 0 373.526 3.513 50 30 FHEARN Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C/C(=O)OCC#N ZINC000003284457 939128401 /nfs/dbraw/zinc/12/84/01/939128401.db2.gz JKAPNJYONNASKC-VOTSOKGWSA-N 0 0 350.205 3.627 50 30 FHEARN CCN(C[C@H](C)C#N)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C ZINC000047534132 945281658 /nfs/dbraw/zinc/28/16/58/945281658.db2.gz UMNWUULZMDRNCB-GFCCVEGCSA-N 0 0 367.478 3.627 50 30 FHEARN N#C[C@H]1CCC[C@@H]1NC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000332892697 945303957 /nfs/dbraw/zinc/30/39/57/945303957.db2.gz GOKFEBJNTWBEFH-XOUADPBQSA-N 0 0 362.271 3.687 50 30 FHEARN Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)c1ccccc1 ZINC000328681482 941983513 /nfs/dbraw/zinc/98/35/13/941983513.db2.gz CNKKXFMRVIQMAU-MOPGFXCFSA-N 0 0 364.493 3.932 50 30 FHEARN C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1C(=O)NCc1csc2ccccc12 ZINC000329053270 942237839 /nfs/dbraw/zinc/23/78/39/942237839.db2.gz RVQUNXKDEYZEEL-HLIPFELVSA-N 0 0 374.506 3.567 50 30 FHEARN O=C(NCCc1ccc2ccccc2n1)N1CC[C@]2(C1)OCc1ccccc12 ZINC000329960033 944311569 /nfs/dbraw/zinc/31/15/69/944311569.db2.gz RKGRKGUXNGFPNJ-HSZRJFAPSA-N 0 0 373.456 3.823 50 30 FHEARN O=C(CON=C1CCCCCN1)Nc1ccc(Oc2ccccc2)cc1 ZINC000007060560 944993517 /nfs/dbraw/zinc/99/35/17/944993517.db2.gz MUXPRJFAUGYOSW-UHFFFAOYSA-N 0 0 353.422 3.911 50 30 FHEARN COc1cccc(F)c1[C@@H](C)NC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000598995577 946554150 /nfs/dbraw/zinc/55/41/50/946554150.db2.gz VWUYGVGAIBFXHP-CQSZACIVSA-N 0 0 367.424 3.729 50 30 FHEARN N#CCc1cccc2c1CCN(C(=O)NCc1ccc(Cl)cc1F)C2 ZINC000599035378 946748722 /nfs/dbraw/zinc/74/87/22/946748722.db2.gz KZCSVVHBLVXUCG-UHFFFAOYSA-N 0 0 357.816 3.813 50 30 FHEARN CC1(C)CC(=O)C2=C(C1)C(C#N)(C#N)[C@@H](c1ccc([N+](=O)[O-])cc1)CC2=O ZINC000106871292 948331187 /nfs/dbraw/zinc/33/11/87/948331187.db2.gz PFONIHBNLNVGGC-CQSZACIVSA-N 0 0 363.373 3.853 50 30 FHEARN Cc1ccccc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCCC2 ZINC000000696059 210262113 /nfs/dbraw/zinc/26/21/13/210262113.db2.gz AKMKGSBWOLMTFY-UHFFFAOYSA-N 0 0 355.488 3.934 50 30 aggregator FHEARN N#Cc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C#N)cc3)cc2)cc1 ZINC000000671010 210260569 /nfs/dbraw/zinc/26/05/69/210260569.db2.gz FGHQBYHTCOSPMT-UHFFFAOYSA-N 0 0 366.380 3.935 50 30 FHEARN COc1cc(/C=C2/COc3ccccc3C2=O)cc(Br)c1O ZINC000033447517 210246242 /nfs/dbraw/zinc/24/62/42/210246242.db2.gz FEEGKOFKDDCBBB-WDZFZDKYSA-N 0 0 361.191 3.822 50 30 FHEARN COc1ccc(/C=C2/COc3ccc(Br)cc3C2=O)cc1O ZINC000096973233 210240445 /nfs/dbraw/zinc/24/04/45/210240445.db2.gz TYKWOFFQMCIIGV-WDZFZDKYSA-N 0 0 361.191 3.822 50 30 FHEARN COc1cccc(/C=C2\Oc3c(c(C)cc([O-])c3C[NH+]3CCCC3)C2=O)c1 ZINC000020589732 210236909 /nfs/dbraw/zinc/23/69/09/210236909.db2.gz LNHLYLGXBHGTBQ-UNOMPAQXSA-N 0 0 365.429 3.921 50 30 FHEARN CC(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O ZINC000005254415 210228409 /nfs/dbraw/zinc/22/84/09/210228409.db2.gz QLSPFUOBXVELLN-PXNMLYILSA-N 0 0 359.175 3.991 50 30 biogenic FHEARN CN(Cc1cccc2cnccc21)C(=O)c1ccc(C#CC(C)(C)O)cc1 ZINC000217191237 210172297 /nfs/dbraw/zinc/17/22/97/210172297.db2.gz AQOASAYZJSJZSJ-UHFFFAOYSA-N 0 0 358.441 3.629 50 30 FHEARN C=CCN(CN1C(=O)NC2(CCC(C)CC2)C1=O)[C@@H]1CCc2ccccc21 ZINC000032916158 210168394 /nfs/dbraw/zinc/16/83/94/210168394.db2.gz CMNKNZZWUIIBGC-COFLGROHSA-N 0 0 367.493 3.620 50 30 FHEARN C=CCc1cc(C(=O)N[C@@H]2CCOc3ccccc32)cc(OC)c1OC ZINC000028665520 210166812 /nfs/dbraw/zinc/16/68/12/210166812.db2.gz QFYIZAJFBRHCAT-QGZVFWFLSA-N 0 0 353.418 3.686 50 30 FHEARN C=CCc1cc(C(=O)N[C@H]2CCOc3ccccc32)cc(OC)c1OC ZINC000028665522 210165776 /nfs/dbraw/zinc/16/57/76/210165776.db2.gz QFYIZAJFBRHCAT-KRWDZBQOSA-N 0 0 353.418 3.686 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccncc1Cl ZINC000025695116 210161785 /nfs/dbraw/zinc/16/17/85/210161785.db2.gz BZNSFPDNCWWZTI-KRWDZBQOSA-N 0 0 374.868 3.902 50 30 FHEARN C=CCNc1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1[N+](=O)[O-] ZINC000020897757 210155618 /nfs/dbraw/zinc/15/56/18/210155618.db2.gz RDQQMHQPGAHCDS-UHFFFAOYSA-N 0 0 352.350 3.918 50 30 FHEARN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Br)cc1 ZINC000002093725 210151523 /nfs/dbraw/zinc/15/15/23/210151523.db2.gz KUZOWHWOAJAJJV-UHFFFAOYSA-N 0 0 359.223 3.617 50 30 FHEARN C#CCSc1nc2sc3c(c2c(=O)n1CC(=C)C)CC(C)(C)OC3 ZINC000002262026 210151132 /nfs/dbraw/zinc/15/11/32/210151132.db2.gz DTNIDLCIUBHMSS-UHFFFAOYSA-N 0 0 360.504 3.611 50 30 FHEARN C=CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@@H]1c1ccc(F)cc1 ZINC000002487258 210151252 /nfs/dbraw/zinc/15/12/52/210151252.db2.gz PQHGYSBJKMVMGD-GOEBONIOSA-N 0 0 374.437 3.594 50 30 FHEARN C=CCn1c(SCC)nc2sc3c(c2c1=O)C[C@@](C)(CC)OC3 ZINC000002346597 210150973 /nfs/dbraw/zinc/15/09/73/210150973.db2.gz XUAVTDZZZIHFQT-QGZVFWFLSA-N 0 0 350.509 3.997 50 30 FHEARN C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccco1 ZINC000000843842 210148925 /nfs/dbraw/zinc/14/89/25/210148925.db2.gz INOGKDNIOKYPCK-UHFFFAOYSA-N 0 0 355.419 3.708 50 30 FHEARN CCOC(=O)c1c(NC(=O)C#Cc2ccccc2)sc2c1CCCC2 ZINC000000972642 210148504 /nfs/dbraw/zinc/14/85/04/210148504.db2.gz CQYRTTHFLZRAGB-UHFFFAOYSA-N 0 0 353.443 3.794 50 30 FHEARN C=CCN1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3ccc(C)cc3)c2C)C1=O ZINC000001269823 210148205 /nfs/dbraw/zinc/14/82/05/210148205.db2.gz KVAYXWMQDQPTCC-PDGQHHTCSA-N 0 0 363.417 3.891 50 30 FHEARN C=CCn1c2nnc(Nc3ccccc3)n2c2sc3c(c2c1=O)CCC3 ZINC000001098116 210147862 /nfs/dbraw/zinc/14/78/62/210147862.db2.gz SVBJDMHRDCTBPW-UHFFFAOYSA-N 0 0 363.446 3.524 50 30 FHEARN C=CCNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F ZINC000013022733 210142656 /nfs/dbraw/zinc/14/26/56/210142656.db2.gz GUQYANKPYPCIOG-UHFFFAOYSA-N 0 0 363.261 3.826 50 30 FHEARN C=CCCC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(OC)cc1 ZINC000011767586 210140763 /nfs/dbraw/zinc/14/07/63/210140763.db2.gz BWSAJMIPUSODEU-SFHVURJKSA-N 0 0 353.466 3.977 50 30 FHEARN C=CCOC(=O)c1cccc(-c2ccc(C=C3SC(=S)NC3=O)o2)c1 ZINC000012343859 210138669 /nfs/dbraw/zinc/13/86/69/210138669.db2.gz XWSXWWBPYGVJDH-GDNBJRDFSA-N 0 0 371.439 3.778 50 30 FHEARN C=CCn1c(=O)c2c3c(sc2nc1SCc1ccccn1)CCC3 ZINC000009368356 210137344 /nfs/dbraw/zinc/13/73/44/210137344.db2.gz OTBDLHWVYPHVOY-UHFFFAOYSA-N 0 0 355.488 3.820 50 30 FHEARN CC(C)(C)c1noc(/C=C2\COc3ccc(Br)cc3C2=O)n1 ZINC000222312080 222732334 /nfs/dbraw/zinc/73/23/34/222732334.db2.gz XWGDCGGRWSKXEG-RMKNXTFCSA-N 0 0 363.211 3.788 50 30 FHEARN C=CCn1c(C)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000004936517 210106417 /nfs/dbraw/zinc/10/64/17/210106417.db2.gz HJJCDQIMBVVHFN-UHFFFAOYSA-N 0 0 357.266 3.810 50 30 FHEARN C=C[C@@H](C)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl ZINC000095965021 210090760 /nfs/dbraw/zinc/09/07/60/210090760.db2.gz NRBMRYAZNDYXLT-KUHUBIRLSA-N 0 0 368.864 3.598 50 30 FHEARN C=CCc1cc(CNC(=O)c2ccc3[nH]c(C)nc3c2)cc(OC)c1OC ZINC000095997784 210089704 /nfs/dbraw/zinc/08/97/04/210089704.db2.gz HGIGMHRNQNSAIX-UHFFFAOYSA-N 0 0 365.433 3.547 50 30 FHEARN C=CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N/N=C/c1cccnc1 ZINC000004476805 210081702 /nfs/dbraw/zinc/08/17/02/210081702.db2.gz DVGYDALBMUBFKK-HMGLBJTLSA-N 0 0 365.418 3.641 50 30 FHEARN COC(=O)/C=C1\S/C(=N\c2ccccc2)N(c2ccc(OC)cc2)C1=O ZINC000005243215 210082429 /nfs/dbraw/zinc/08/24/29/210082429.db2.gz GYVMOSPRXZUZQC-ZZCYQEOYSA-N 0 0 368.414 3.520 50 30 FHEARN C=CCN1CC2(CCC1=O)CCN(C(=O)Nc1ccccc1SC)CC2 ZINC000092046613 210072670 /nfs/dbraw/zinc/07/26/70/210072670.db2.gz QEHRPHVGEUGAEE-UHFFFAOYSA-N 0 0 373.522 3.831 50 30 FHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc(C(C)C)no1 ZINC000055088787 210068440 /nfs/dbraw/zinc/06/84/40/210068440.db2.gz XWLXYXBMYRYNOB-UHFFFAOYSA-N 0 0 352.394 3.676 50 30 FHEARN C=CCN(C)C(=O)c1csc(NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000040355605 210045261 /nfs/dbraw/zinc/04/52/61/210045261.db2.gz RTVWLSXJBDQENS-UHFFFAOYSA-N 0 0 369.368 3.672 50 30 FHEARN C=C(C)CNc1ccc(-c2nc(-c3cccc(OC)c3OC)no2)cn1 ZINC000039515564 210043917 /nfs/dbraw/zinc/04/39/17/210043917.db2.gz VWNKNQRUCPXULM-UHFFFAOYSA-N 0 0 352.394 3.804 50 30 FHEARN Cc1c(/N=C/c2coc3ccc(C)cc3c2=O)c(=O)n(-c2ccccc2)n1C ZINC000000953585 219346674 /nfs/dbraw/zinc/34/66/74/219346674.db2.gz JCDHNROMSXFYLT-FSJBWODESA-N 0 0 373.412 3.650 50 30 FHEARN C=CCNC(=O)COC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc21 ZINC000002628888 219452599 /nfs/dbraw/zinc/45/25/99/219452599.db2.gz KKVKHJITAQBUKA-UHFFFAOYSA-N 0 0 360.413 3.669 50 30 FHEARN C=CCNC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1CCCC2 ZINC000002668111 219457056 /nfs/dbraw/zinc/45/70/56/219457056.db2.gz MEUWIRROUUKAJA-UHFFFAOYSA-N 0 0 370.474 3.804 50 30 FHEARN CCc1c(C)sc2nc(S[C@@H](C)C#N)n(C[C@H]3CCCO3)c(=O)c12 ZINC000005571496 219689659 /nfs/dbraw/zinc/68/96/59/219689659.db2.gz VUJVKGJWGCITET-CMPLNLGQSA-N 0 0 363.508 3.512 50 30 FHEARN COc1cc(C#N)ccc1O[C@H](C)C(=O)c1ccc(Br)cc1 ZINC000008489867 219863273 /nfs/dbraw/zinc/86/32/73/219863273.db2.gz UPACDLMNKGCHTA-LLVKDONJSA-N 0 0 360.207 3.980 50 30 FHEARN Cc1ccc2c(C(=O)N3CCC[C@@H](C#N)C3)cc(-c3cncnc3)nc2c1C ZINC000063855722 212034759 /nfs/dbraw/zinc/03/47/59/212034759.db2.gz GBKKGYSEIXLJOR-INIZCTEOSA-N 0 0 371.444 3.684 50 30 FHEARN N#Cc1ccc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)c(F)c1 ZINC000058421128 212009943 /nfs/dbraw/zinc/00/99/43/212009943.db2.gz QKZAGFVCBQRALR-UHFFFAOYSA-N 0 0 354.381 3.586 50 30 FHEARN N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)cc1 ZINC000015512035 220154476 /nfs/dbraw/zinc/15/44/76/220154476.db2.gz SUKZATFJXWBNKZ-QGZVFWFLSA-N 0 0 355.397 3.703 50 30 FHEARN Cc1nnc(-c2ccc3ccn(CC(=O)Nc4ccc(C#N)cc4)c3c2)o1 ZINC000035461994 211637271 /nfs/dbraw/zinc/63/72/71/211637271.db2.gz HYEJEWQTTKLRHC-UHFFFAOYSA-N 0 0 357.373 3.510 50 30 FHEARN C[C@@H](C#N)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 ZINC000032945150 211576899 /nfs/dbraw/zinc/57/68/99/211576899.db2.gz GBZKRLKGKTTYJZ-LBPRGKRZSA-N 0 0 351.391 3.847 50 30 FHEARN N#Cc1ccccc1CN1C(=O)NC2(CCC(c3ccccc3)CC2)C1=O ZINC000026779278 211454405 /nfs/dbraw/zinc/45/44/05/211454405.db2.gz TXMUVNFLYOEKCD-UHFFFAOYSA-N 0 0 359.429 3.707 50 30 FHEARN C(=CN=Nc1cc(N2CCCC2)nc(N2CCCC2)n1)Cc1ccccc1 ZINC000023633877 211393205 /nfs/dbraw/zinc/39/32/05/211393205.db2.gz IEBLKKROBFWZJK-KJMLGPIDSA-N 0 0 362.481 3.788 50 30 FHEARN Cc1sc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c(C#N)c1C ZINC000022961917 211374466 /nfs/dbraw/zinc/37/44/66/211374466.db2.gz KSFSPSKEPPYWIK-MRXNPFEDSA-N 0 0 369.446 3.606 50 30 FHEARN Cc1cc(C)n(CCCNc2cc(C)c(C#N)c3nc4ccccc4n32)n1 ZINC000022534763 211353992 /nfs/dbraw/zinc/35/39/92/211353992.db2.gz RHSARAUHCIWKQK-UHFFFAOYSA-N 0 0 358.449 3.983 50 30 FHEARN COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1CN1CCOCC1 ZINC000020827196 211296931 /nfs/dbraw/zinc/29/69/31/211296931.db2.gz BVZSXEHECAAMQQ-XMHGGMMESA-N 0 0 363.457 3.740 50 30 FHEARN C[C@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccncc1)O2 ZINC000020504064 211283824 /nfs/dbraw/zinc/28/38/24/211283824.db2.gz YEKOVBDKFFIYOR-YQNUULROSA-N 0 0 350.418 3.778 50 30 FHEARN CCOC(=O)c1sc2nc(N)c(C#N)c(-c3ccc(Cl)cc3)c2c1N ZINC000020065864 211265439 /nfs/dbraw/zinc/26/54/39/211265439.db2.gz MFMCAEQOLVTEJK-UHFFFAOYSA-N 0 0 372.837 3.829 50 30 FHEARN CSc1nc(NC[C@@H](C)O)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000019820379 211257944 /nfs/dbraw/zinc/25/79/44/211257944.db2.gz PDHXXSOFSCEAGC-GFCCVEGCSA-N 0 0 356.495 3.827 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000019313831 211213487 /nfs/dbraw/zinc/21/34/87/211213487.db2.gz YDTNWHPMAHEXLA-LAUBAEHRSA-N 0 0 374.440 3.616 50 30 FHEARN CC/N=C1\S[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC(=O)N1CC ZINC000017836643 211187769 /nfs/dbraw/zinc/18/77/69/211187769.db2.gz YVNCHMOXNVRRMX-ZNZSVTJWSA-N 0 0 374.293 3.662 50 30 FHEARN CC1(C)CC(=O)C2C(=Nc3nnnn3[C@@H]2c2cccc(Cl)c2Cl)C1 ZINC000018196018 211194502 /nfs/dbraw/zinc/19/45/02/211194502.db2.gz GIDNAWDMDQZJMR-CQSZACIVSA-N 0 0 364.236 3.638 50 30 FHEARN O=C1CCCC2=C1[C@H](c1ccccc1[N+](=O)[O-])c1cc3c(cc1N2)OCO3 ZINC000018196717 211193781 /nfs/dbraw/zinc/19/37/81/211193781.db2.gz XUYWGKHIKMRKON-LJQANCHMSA-N 0 0 364.357 3.888 50 30 FHEARN O=C1N/C(=N/c2ccc(Br)cc2)S[C@H]1Cc1ccccc1 ZINC000017178696 211181402 /nfs/dbraw/zinc/18/14/02/211181402.db2.gz OHBYJNKFBMTCIY-AWEZNQCLSA-N 0 0 361.264 3.911 50 30 FHEARN Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(C#N)cc1F ZINC000016284456 211159656 /nfs/dbraw/zinc/15/96/56/211159656.db2.gz YIIONDUWFQMEEG-UHFFFAOYSA-N 0 0 371.375 3.992 50 30 FHEARN CCOP(=O)(OCC)[C@@H](/N=C1/C(=O)Nc2ccccc21)C(F)(F)F ZINC000016688019 211165588 /nfs/dbraw/zinc/16/55/88/211165588.db2.gz JJWHCDKBXZINDL-CYBMUJFWSA-N 0 0 364.260 3.582 50 30 FHEARN Cc1nc(-c2ccc(CNC(=O)COc3ccccc3C#N)cc2)cs1 ZINC000015191774 211124114 /nfs/dbraw/zinc/12/41/14/211124114.db2.gz HRIGAVNGCBEQFX-UHFFFAOYSA-N 0 0 363.442 3.685 50 30 FHEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C)S/C1=N\c1ccccc1 ZINC000015162613 211124151 /nfs/dbraw/zinc/12/41/51/211124151.db2.gz GSIFJTOVMZJUKV-QBEKEKFNSA-N 0 0 367.474 3.975 50 30 FHEARN Cc1cc(/C=C/C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc(C)c1OC(F)F ZINC000014181411 211081754 /nfs/dbraw/zinc/08/17/54/211081754.db2.gz KWFOBFOGPOOQLB-ZZXKWVIFSA-N 0 0 358.344 3.971 50 30 FHEARN C[C@]1(c2ccc(Cl)c(Cl)c2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000014135051 211075516 /nfs/dbraw/zinc/07/55/16/211075516.db2.gz HIJKWWMTWXHLPF-GOSISDBHSA-N 0 0 374.227 3.832 50 30 FHEARN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000014141296 211078223 /nfs/dbraw/zinc/07/82/23/211078223.db2.gz LMDDOKMTCNFXFR-SFHVURJKSA-N 0 0 357.816 3.502 50 30 FHEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccccc1 ZINC000014009164 211068540 /nfs/dbraw/zinc/06/85/40/211068540.db2.gz YTYHHFVQLNMAHJ-BSBNDGSWSA-N 0 0 353.447 3.667 50 30 FHEARN CCOc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000013661032 211045550 /nfs/dbraw/zinc/04/55/50/211045550.db2.gz LZRGNRVXZAUVJR-PXLXIMEGSA-N 0 0 357.885 3.890 50 30 FHEARN O=C1CS/C(=N\N=C\c2ccc(Cl)cc2)N1Cc1ccc(F)cc1 ZINC000013553103 211038987 /nfs/dbraw/zinc/03/89/87/211038987.db2.gz PAOBMYBBFSRMFV-PGJJUSORSA-N 0 0 361.829 3.945 50 30 FHEARN O=C1N/C(=N\c2ccc(Cl)cc2)S[C@@H]1Cc1cccc([N+](=O)[O-])c1 ZINC000013477823 211036429 /nfs/dbraw/zinc/03/64/29/211036429.db2.gz DPQWYLXGIKBTOQ-CQSZACIVSA-N 0 0 361.810 3.710 50 30 FHEARN Cc1ccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc1[N+](=O)[O-] ZINC000013424429 211033196 /nfs/dbraw/zinc/03/31/96/211033196.db2.gz GLWJFXBBQMLMOD-DHDCSXOGSA-N 0 0 357.366 3.934 50 30 FHEARN CN1C(=O)C[C@H](C(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccccc1 ZINC000013423877 211032348 /nfs/dbraw/zinc/03/23/48/211032348.db2.gz GGSYHZSDFMRETD-XAIYEJPOSA-N 0 0 373.865 3.930 50 30 FHEARN COc1ccc(-c2cc3ncn(C[C@@H](C#N)CCC#N)c(=O)c3s2)cc1 ZINC000013003715 211018703 /nfs/dbraw/zinc/01/87/03/211018703.db2.gz DLCQYZJAYSDVEV-CYBMUJFWSA-N 0 0 364.430 3.577 50 30 FHEARN CC(C)CC(=O)N1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 ZINC000012889014 211003363 /nfs/dbraw/zinc/00/33/63/211003363.db2.gz QIZZXJNZQDDXSB-UHFFFAOYSA-N 0 0 361.489 3.916 50 30 FHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccccc1OC(F)F ZINC000012728912 210984355 /nfs/dbraw/zinc/98/43/55/210984355.db2.gz FEXLLHRCBZJWSC-UHFFFAOYSA-N 0 0 371.343 3.782 50 30 FHEARN CCc1cc(S[C@H]2C[C@H](C)OC2=O)n2c3ccccc3nc2c1C#N ZINC000009115136 210816399 /nfs/dbraw/zinc/81/63/99/210816399.db2.gz ORWAMFQZEGSXRJ-ZBEGNZNMSA-N 0 0 351.431 3.718 50 30 FHEARN CCOc1ccccc1NC(=O)/C=C/c1ccc(OCC#N)c(OC)c1 ZINC000006999536 210723587 /nfs/dbraw/zinc/72/35/87/210723587.db2.gz WNEWTFRFOZFMOM-PKNBQFBNSA-N 0 0 352.390 3.648 50 30 FHEARN CCN1C=C(C(=O)C=Cc2ccc(OC)cc2)[C@@H](c2ccccc2)NC1=O ZINC000006604194 210682623 /nfs/dbraw/zinc/68/26/23/210682623.db2.gz MTPMFTWSVKBGSS-QGFLDLQWSA-N 0 0 362.429 3.948 50 30 FHEARN Fc1cccc(Cl)c1C=NN1C(=S)N=NC1COc1ccccc1 ZINC000006061716 210654559 /nfs/dbraw/zinc/65/45/59/210654559.db2.gz NXJXYWHRULOFSQ-DJKKODMXSA-N 0 0 362.817 3.821 50 30 FHEARN NC(=S)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl ZINC000005236842 210608696 /nfs/dbraw/zinc/60/86/96/210608696.db2.gz KGBZFNHMMCGDOY-UFWORHAWSA-N 0 0 354.262 3.740 50 30 FHEARN Cc1cc(Br)cc(Cl)c1OCC(=O)NC1(C#N)CCCC1 ZINC000005168695 210605133 /nfs/dbraw/zinc/60/51/33/210605133.db2.gz HUQPPCFCDZVTFY-UHFFFAOYSA-N 0 0 371.662 3.742 50 30 FHEARN CSC1=N/C(=C\c2cc3c(cc2Br)OCO3)C(=O)S1 ZINC000004660068 210549711 /nfs/dbraw/zinc/54/97/11/210549711.db2.gz XNCZGEYURXSUGJ-WAPJZHGLSA-N 0 0 358.238 3.511 50 30 FHEARN Cn1c(=O)c2c3c(sc2nc1N/N=C/c1ccc(Cl)cc1)CCC3 ZINC000004598742 210543948 /nfs/dbraw/zinc/54/39/48/210543948.db2.gz APHIDUHBQLZORK-DJKKODMXSA-N 0 0 358.854 3.583 50 30 FHEARN CN1C(=O)N[C@H](c2ccc(Br)cc2)C2=C1CC(C)(C)CC2=O ZINC000004387420 210528737 /nfs/dbraw/zinc/52/87/37/210528737.db2.gz NUYGJCAWOIDLJS-OAHLLOKOSA-N 0 0 363.255 3.788 50 30 FHEARN CCCOc1ccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000004502171 210533895 /nfs/dbraw/zinc/53/38/95/210533895.db2.gz HKBKHPJLXFAESV-CQSZACIVSA-N 0 0 357.450 3.731 50 30 FHEARN COc1cccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)c1OC(C)C ZINC000004488919 210533077 /nfs/dbraw/zinc/53/30/77/210533077.db2.gz SIGDUXUNSUGWJQ-AWEZNQCLSA-N 0 0 357.450 3.729 50 30 FHEARN Cc1nsc(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)c1[N+](=O)[O-] ZINC000004017674 210504012 /nfs/dbraw/zinc/50/40/12/210504012.db2.gz ZRKVOUKVGMFYKW-WLRTZDKTSA-N 0 0 371.172 3.781 50 30 FHEARN CN(C)/C=C(\C(=O)C(F)(F)F)c1onc(-c2ccccc2Cl)c1C#N ZINC000003047662 210447406 /nfs/dbraw/zinc/44/74/06/210447406.db2.gz ZPPJVULDPSSDJE-FLIBITNWSA-N 0 0 369.730 3.901 50 30 FHEARN Cc1c(Cl)c(C(F)F)nn1CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000002781546 210421901 /nfs/dbraw/zinc/42/19/01/210421901.db2.gz WMSJIMAFQNIGTQ-UHFFFAOYSA-N 0 0 370.812 3.843 50 30 FHEARN Cc1ccc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000002565358 210407191 /nfs/dbraw/zinc/40/71/91/210407191.db2.gz NVBRUIASHQWABC-UHFFFAOYSA-N 0 0 354.243 3.533 50 30 FHEARN N#Cc1c2c(sc1NC(=O)CO/N=C/c1ccccc1)CCCCC2 ZINC000002289500 210388276 /nfs/dbraw/zinc/38/82/76/210388276.db2.gz VXUNSTVHVWFTJW-CIAFOILYSA-N 0 0 353.447 3.878 50 30 FHEARN COc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2ccccc2)cc1 ZINC000002219401 210385334 /nfs/dbraw/zinc/38/53/34/210385334.db2.gz CQRVAOVGELNQBP-KFNXNMOMSA-N 0 0 353.447 3.549 50 30 FHEARN CC(C)=CC[C@@H](OC(=O)C=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ZINC000002014578 210376790 /nfs/dbraw/zinc/37/67/90/210376790.db2.gz BATBOVZTQBLKIL-QGZVFWFLSA-N 0 0 370.401 3.638 50 30 biogenic,in-vitro FHEARN COC(=O)c1ccc(Oc2nc(C#N)cc(-c3ccc(OC)cc3)n2)cc1 ZINC000002210122 210383986 /nfs/dbraw/zinc/38/39/86/210383986.db2.gz UHNYWLZBPSOZBM-UHFFFAOYSA-N 0 0 361.357 3.603 50 30 FHEARN CCOC(=O)CC(=O)CSc1nc(C)cc(-c2cccs2)c1C#N ZINC000002118047 210379724 /nfs/dbraw/zinc/37/97/24/210379724.db2.gz DZGXZCWVRIHHQJ-UHFFFAOYSA-N 0 0 360.460 3.605 50 30 FHEARN COc1ccc(C2N=NC(=S)N2N=Cc2ccc(C)s2)cc1OC ZINC000001476004 210356389 /nfs/dbraw/zinc/35/63/89/210356389.db2.gz FYSRTLYWHLCOHO-RQZCQDPDSA-N 0 0 360.464 3.503 50 30 FHEARN CN(C)N1C(=O)C[C@@H](c2ccccc2C(F)(F)F)C2=C1CCCC2=O ZINC000001422727 210351529 /nfs/dbraw/zinc/35/15/29/210351529.db2.gz RELQGJUOWFPFFO-LBPRGKRZSA-N 0 0 352.356 3.505 50 30 FHEARN Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1ccco1 ZINC000001306984 210340488 /nfs/dbraw/zinc/34/04/88/210340488.db2.gz LEZDACODUDGNSE-LPYMAVHISA-N 0 0 359.385 3.759 50 30 FHEARN N#Cc1c(NC(=O)[C@@H]2CC(=O)OC23CCCCC3)sc2c1CCCC2 ZINC000001167461 210329622 /nfs/dbraw/zinc/32/96/22/210329622.db2.gz WSHHPMASUIPYIX-AWEZNQCLSA-N 0 0 358.463 3.703 50 30 FHEARN Cc1cc(C)c(OCC(=O)Nc2ccccc2C#N)c(Br)c1 ZINC000001156846 210326538 /nfs/dbraw/zinc/32/65/38/210326538.db2.gz CLYRCRQFSVSMDE-UHFFFAOYSA-N 0 0 359.223 3.955 50 30 FHEARN CC1(C)Cc2[nH]c(=S)c(C#N)c(-c3ccccc3[N+](=O)[O-])c2C(=O)C1 ZINC000001216044 210335788 /nfs/dbraw/zinc/33/57/88/210335788.db2.gz VYWIQJVEZYDHDQ-UHFFFAOYSA-N 0 0 353.403 3.972 50 30 FHEARN COc1ccccc1NC(=O)CSc1nc2c(cc1C#N)CCCC2 ZINC000000879519 210284990 /nfs/dbraw/zinc/28/49/90/210284990.db2.gz UXOIWKJZHPTXJK-UHFFFAOYSA-N 0 0 353.447 3.571 50 30 FHEARN CC(O)=C1C(=O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccccc1F ZINC000000849083 210281200 /nfs/dbraw/zinc/28/12/00/210281200.db2.gz FIDNKRFYVNCMDJ-INIZCTEOSA-N 0 0 368.389 3.924 50 30 FHEARN Cc1cc2c(cc1C)C(NN=Cc1ccc([N+](=O)[O-])cc1)=NC(C)(C)C2 ZINC000000846705 210280670 /nfs/dbraw/zinc/28/06/70/210280670.db2.gz PZHJQLNOJDGVKP-CIAFOILYSA-N 0 0 350.422 3.917 50 30 FHEARN O=C1C[C@@H](c2ccccc2)CC2=Nc3ncnn3[C@@H](c3cccc(F)c3)C12 ZINC000009332301 210270835 /nfs/dbraw/zinc/27/08/35/210270835.db2.gz CVCOYXOHPRKTMB-YWZLYKJASA-N 0 0 360.392 3.833 50 30 FHEARN O=C1C[C@@H](c2ccccc2)CC2=Nc3ncnn3[C@H](c3cccc(F)c3)C12 ZINC000009332303 210270534 /nfs/dbraw/zinc/27/05/34/210270534.db2.gz CVCOYXOHPRKTMB-MGPUTAFESA-N 0 0 360.392 3.833 50 30 FHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCSCc1ccco1 ZINC000039978466 220869158 /nfs/dbraw/zinc/86/91/58/220869158.db2.gz BADXPVIDTJWHIU-UHFFFAOYSA-N 0 0 355.419 3.507 50 30 FHEARN C=CCN(Cc1ccc(OC)cc1)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000055891228 221075647 /nfs/dbraw/zinc/07/56/47/221075647.db2.gz GAUVNWDPMZFLEM-UHFFFAOYSA-N 0 0 371.433 3.549 50 30 FHEARN COc1cc(-c2cc(-c3cccc(C)c3)nc(N)c2C#N)cc(OC)c1O ZINC000067726586 221277551 /nfs/dbraw/zinc/27/75/51/221277551.db2.gz VPIABZVGOZTUSG-UHFFFAOYSA-N 0 0 361.401 3.901 50 30 FHEARN Cc1cccc(NC(=O)c2cccc(CN3C[C@@H](C)O[C@@H](C)C3)c2)c1C#N ZINC000067696258 221273394 /nfs/dbraw/zinc/27/33/94/221273394.db2.gz BMGBPGZLZNHEPH-CALCHBBNSA-N 0 0 363.461 3.728 50 30 FHEARN C[NH+](C)Cc1cc(-c2cc(-c3cccs3)nc(N)c2C#N)ccc1[O-] ZINC000067920436 221305258 /nfs/dbraw/zinc/30/52/58/221305258.db2.gz COCAHIUFFJUZCO-UHFFFAOYSA-N 0 0 350.447 3.698 50 30 FHEARN Cc1nc(C)c(-c2cc(-c3ccc4c(c3)OCCO4)nc(N)c2C#N)s1 ZINC000067965055 221309317 /nfs/dbraw/zinc/30/93/17/221309317.db2.gz AFWFOZUWPWYMRD-UHFFFAOYSA-N 0 0 364.430 3.714 50 30 FHEARN N#Cc1ccccc1C(=O)N1CCc2onc(-c3ccc(F)c(F)c3)c2C1 ZINC000067966570 221310849 /nfs/dbraw/zinc/31/08/49/221310849.db2.gz YOQBTBSWCVEISI-UHFFFAOYSA-N 0 0 365.339 3.690 50 30 FHEARN COc1ccc(CCNc2nc(N3CCCC3)cc(C)c2C#N)cc1OC ZINC000071279258 221337477 /nfs/dbraw/zinc/33/74/77/221337477.db2.gz XTOKBPXAJAJYOS-UHFFFAOYSA-N 0 0 366.465 3.534 50 30 FHEARN COc1ccc2cc([C@@H]3CN(C(=O)c4cccc(C#N)c4)CCO3)ccc2c1 ZINC000071764019 221370868 /nfs/dbraw/zinc/37/08/68/221370868.db2.gz YCDMJXVDHOQJQG-QFIPXVFZSA-N 0 0 372.424 3.934 50 30 FHEARN COc1ccc(CCCNC(=O)c2ccc(-c3ccccc3C#N)nc2)cc1 ZINC000071763759 221371618 /nfs/dbraw/zinc/37/16/18/221371618.db2.gz DHXIJNGCUYQDIU-UHFFFAOYSA-N 0 0 371.440 3.991 50 30 FHEARN CCCc1c([C@@H]2CCOC(C)(C)C2)nc(N)c(C#N)c1-c1cnn(C)c1 ZINC000071774858 221375205 /nfs/dbraw/zinc/37/52/05/221375205.db2.gz RQKOWXHOBGIMER-CYBMUJFWSA-N 0 0 353.470 3.561 50 30 FHEARN C=CCN1c2ccccc2N(C(=O)c2cccc([N+](=O)[O-])c2)C(C)(C)C1=O ZINC000000860995 132373630 /nfs/dbraw/zinc/37/36/30/132373630.db2.gz HNLCMFGQFJRQSY-UHFFFAOYSA-N 0 0 365.389 3.553 50 30 FHEARN C=CCN1C(=O)COc2ccc(NC(=O)c3oc4ccccc4c3C)cc21 ZINC000032593379 132374379 /nfs/dbraw/zinc/37/43/79/132374379.db2.gz PXMYVJMZMBMDRY-UHFFFAOYSA-N 0 0 362.385 3.905 50 30 FHEARN N#CC1=NN(c2ccc(OCc3ccccc3)cc2)[C@@H]2CCCCCN2C1=O ZINC000033436178 132374402 /nfs/dbraw/zinc/37/44/02/132374402.db2.gz AGKLEMRDUDUPGJ-OAQYLSRUSA-N 0 0 374.444 3.694 50 30 FHEARN N#Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000032806334 132926522 /nfs/dbraw/zinc/92/65/22/132926522.db2.gz OOFAGPSMLMTSAX-LBPRGKRZSA-N 0 0 365.418 3.855 50 30 FHEARN N#Cc1cnc2ccccc2c1N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000038654299 136118990 /nfs/dbraw/zinc/11/89/90/136118990.db2.gz YVFABNKYIUQAFS-UHFFFAOYSA-N 0 0 370.456 3.639 50 30 FHEARN COc1nccc(NCc2cccnc2N2CCc3ccccc3C2)c1C#N ZINC000067691310 136137434 /nfs/dbraw/zinc/13/74/34/136137434.db2.gz SOFIVFKLEJSAQZ-UHFFFAOYSA-N 0 0 371.444 3.532 50 30 FHEARN COc1ccc(N[C@@H]2CCCN(c3nc(C)cc(C)c3C#N)C2)cc1OC ZINC000072166136 136143408 /nfs/dbraw/zinc/14/34/08/136143408.db2.gz MLZLGKAZUGBVST-QGZVFWFLSA-N 0 0 366.465 3.668 50 30 FHEARN N#Cc1cc(F)cc(C(=O)N2CCC[C@H](COc3ccc(F)cc3)C2)c1 ZINC000077339898 221610231 /nfs/dbraw/zinc/61/02/31/221610231.db2.gz DUFPTMRVNYXULL-AWEZNQCLSA-N 0 0 356.372 3.768 50 30 FHEARN COc1ccc(OC)c(/C=C2/S/C(=N/c3ccccc3)N(C)C2=O)c1 ZINC000096592063 222126042 /nfs/dbraw/zinc/12/60/42/222126042.db2.gz HDXRUXWTHRWOJB-KFBYJWCXSA-N 0 0 354.431 3.938 50 30 FHEARN C#CCOc1ccc(/C=C\C(=O)c2ccc3c(c2)OCO3)cc1OCC ZINC000096766838 222128944 /nfs/dbraw/zinc/12/89/44/222128944.db2.gz BZGJYHKOQMZTMB-YVMONPNESA-N 0 0 350.370 3.722 50 30 FHEARN O=C1c2ccccc2S(=O)(=O)C/C1=C/c1ccc(Br)cc1 ZINC000096792596 222130864 /nfs/dbraw/zinc/13/08/64/222130864.db2.gz LUTOQPBCKFOJMJ-XFXZXTDPSA-N 0 0 363.232 3.503 50 30 FHEARN Cc1c(C(=O)N2CCC(C#N)(c3ccccc3)CC2)c2cc(O)ccc2n1C ZINC000097217642 222168574 /nfs/dbraw/zinc/16/85/74/222168574.db2.gz YBTFPBSITUVOFV-UHFFFAOYSA-N 0 0 373.456 3.890 50 30 FHEARN N#C[C@H](c1ccccc1)c1nc2cc(C(=O)c3ccccc3)ccc2[nH]c1=O ZINC000098071650 222225468 /nfs/dbraw/zinc/22/54/68/222225468.db2.gz JAHIUCLUJXQZRA-GOSISDBHSA-N 0 0 365.392 3.810 50 30 FHEARN CCCCCCCOC(=O)C1C(C)=Nc2nnnn2[C@@H]1c1ccc(F)cc1 ZINC000101285052 222267278 /nfs/dbraw/zinc/26/72/78/222267278.db2.gz YJWWFHJRMPAADZ-QGZVFWFLSA-N 0 0 373.432 3.615 50 30 FHEARN CCCCCCCNC(CC)=C1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000100171799 222238898 /nfs/dbraw/zinc/23/88/98/222238898.db2.gz BOXVWZMBHQSHLD-YHKKIHSWSA-N 0 0 351.487 3.568 50 30 FHEARN CN1C(=O)C[C@H](C(=O)Nc2cccc(Cl)c2)S/C1=N/c1ccccc1 ZINC000100264074 222240457 /nfs/dbraw/zinc/24/04/57/222240457.db2.gz GGSYHZSDFMRETD-GALDBLJUSA-N 0 0 373.865 3.930 50 30 FHEARN CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccncc1 ZINC000101284802 222267481 /nfs/dbraw/zinc/26/74/81/222267481.db2.gz CEKZZGUSXVATKR-SFHVURJKSA-N 0 0 369.469 3.866 50 30 FHEARN CCO/C(=N\S(=O)(=O)c1ccc(Br)cc1)c1ccccc1 ZINC000100488376 222245762 /nfs/dbraw/zinc/24/57/62/222245762.db2.gz SDFAJVSJVAGLST-ICFOKQHNSA-N 0 0 368.252 3.621 50 30 FHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccnc1 ZINC000100562982 222247283 /nfs/dbraw/zinc/24/72/83/222247283.db2.gz MDJAZZVPALFEBH-SFHVURJKSA-N 0 0 354.450 3.639 50 30 FHEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000100674513 222248815 /nfs/dbraw/zinc/24/88/15/222248815.db2.gz AJOPZWSJXJZIJM-WQRHYEAKSA-N 0 0 367.361 3.997 50 30 FHEARN Cc1cc(C)c(C(=O)Cc2nc3ccc([N+](=O)[O-])cc3oc2=O)c(C)c1 ZINC000101570058 222278082 /nfs/dbraw/zinc/27/80/82/222278082.db2.gz JXQMFWVGTJXWNH-DHDCSXOGSA-N 0 0 352.346 3.618 50 30 FHEARN N#Cc1ccc(SCC(=O)Nc2c3c(nn2-c2ccccc2)CCC3)cc1 ZINC000102981195 222316301 /nfs/dbraw/zinc/31/63/01/222316301.db2.gz YBHYZSWTSIGAIE-UHFFFAOYSA-N 0 0 374.469 3.963 50 30 FHEARN CCN(CC)c1ccc(/C=N/NC(=S)Nc2ccc(C)cc2)c(O)c1 ZINC000000671788 263141143 /nfs/dbraw/zinc/14/11/43/263141143.db2.gz YFKJWWZHAJLYHA-DEDYPNTBSA-N 0 0 356.495 3.867 50 30 FHEARN CC(=O)Nc1ccc(SCC(=O)N(CCC#N)c2ccc(C)cc2)cc1 ZINC000002624710 263145282 /nfs/dbraw/zinc/14/52/82/263145282.db2.gz CDBNBJUUIFAKTR-UHFFFAOYSA-N 0 0 367.474 3.992 50 30 FHEARN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2cccnc2)C1=O ZINC000005074070 263338771 /nfs/dbraw/zinc/33/87/71/263338771.db2.gz HSURQNIXGHCVFQ-WJDWOHSUSA-N 0 0 366.442 3.934 50 30 FHEARN C=CCn1c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nnc1-c1ccccc1 ZINC000009189715 263359895 /nfs/dbraw/zinc/35/98/95/263359895.db2.gz RDFFTXVOAZTDIE-HOTGVXAUSA-N 0 0 370.522 3.728 50 30 FHEARN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2cccc(OC)c2OC)c1C ZINC000009313772 263360956 /nfs/dbraw/zinc/36/09/56/263360956.db2.gz HHSIFVUDPNSEOF-ZHACJKMWSA-N 0 0 357.406 3.722 50 30 FHEARN C=CCn1c(SCC(=O)Nc2ccccc2C)nc2ccsc2c1=O ZINC000009691179 263362167 /nfs/dbraw/zinc/36/21/67/263362167.db2.gz WLJNWAMPAOVGIL-UHFFFAOYSA-N 0 0 371.487 3.683 50 30 FHEARN C=CCNc1nc(C(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)cs1 ZINC000010136198 263363617 /nfs/dbraw/zinc/36/36/17/263363617.db2.gz XZWCOOJZEKUULM-UHFFFAOYSA-N 0 0 359.451 3.534 50 30 FHEARN C=CC[C@H]1S/C(=N/N=C/c2ccc(OCc3ccccc3)cc2)NC1=O ZINC000018209469 263373442 /nfs/dbraw/zinc/37/34/42/263373442.db2.gz SCGSWNHBPLTURS-KOMLCTQHSA-N 0 0 365.458 3.763 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000019772321 263376737 /nfs/dbraw/zinc/37/67/37/263376737.db2.gz RTBXOPCSZVYUGQ-MRXNPFEDSA-N 0 0 365.351 3.846 50 30 FHEARN CC(C)Oc1ccccc1/C=C/C(=O)c1ccc(OCC(=O)N(C)C)cc1 ZINC000022347946 263386100 /nfs/dbraw/zinc/38/61/00/263386100.db2.gz RZNWJPOSFMRPRQ-SDNWHVSQSA-N 0 0 367.445 3.837 50 30 FHEARN C=CCNC(=O)COc1ccccc1-c1noc(-c2cccc(Cl)c2)n1 ZINC000033325166 263395580 /nfs/dbraw/zinc/39/55/80/263395580.db2.gz DEHSEEOEEPHOIC-UHFFFAOYSA-N 0 0 369.808 3.738 50 30 FHEARN C=CCOc1cccc(CN(CC)C(=O)Cn2nc(C(F)F)cc2C)c1 ZINC000055166598 263410327 /nfs/dbraw/zinc/41/03/27/263410327.db2.gz YBLOEIUMCPEQJK-UHFFFAOYSA-N 0 0 363.408 3.743 50 30 FHEARN C#CCOc1ccc(F)cc1NCc1nnc(-c2ccccc2OC)o1 ZINC000133995467 518326355 /nfs/dbraw/zinc/32/63/55/518326355.db2.gz PUAXTQTZWDJARK-UHFFFAOYSA-N 0 0 353.353 3.508 50 30 FHEARN C#CCn1c2c(cccc2OCC)s/c1=N\C(=O)c1cccc(F)c1 ZINC000100909894 518341788 /nfs/dbraw/zinc/34/17/88/518341788.db2.gz MYULGQNWCTXQPA-VZCXRCSSSA-N 0 0 354.406 3.615 50 30 FHEARN CC(C)(C)C(=O)/C=C1\SCC(=O)N1CCOc1ccccc1Cl ZINC000013039014 518550641 /nfs/dbraw/zinc/55/06/41/518550641.db2.gz FHRUKISMCMCZSU-YBEGLDIGSA-N 0 0 353.871 3.751 50 30 FHEARN C=CCN(Cc1ccc(C)s1)C(=O)COCc1nc2cc(F)ccc2[nH]1 ZINC000067955177 518778155 /nfs/dbraw/zinc/77/81/55/518778155.db2.gz CAZXHHZEBOZHNH-UHFFFAOYSA-N 0 0 373.453 3.803 50 30 FHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc(F)cc(C#N)c1 ZINC000055358716 518798826 /nfs/dbraw/zinc/79/88/26/518798826.db2.gz RKRZDAZSMXXWOG-UHFFFAOYSA-N 0 0 362.364 3.576 50 30 FHEARN C=CCOc1ccc(/C=C/C(=O)OCC(=O)NCC2CCCCC2)cc1 ZINC000006466240 519013941 /nfs/dbraw/zinc/01/39/41/519013941.db2.gz PIMHVWORKHBZAK-JLHYYAGUSA-N 0 0 357.450 3.504 50 30 FHEARN C=CCSc1nc2ccccc2n1CC(=O)NCc1ccccc1F ZINC000012520359 519083424 /nfs/dbraw/zinc/08/34/24/519083424.db2.gz GFXHVIQPCBVLEL-UHFFFAOYSA-N 0 0 355.438 3.770 50 30 FHEARN C=CCn1c(C)nnc1SCC(=O)N1CC[C@@H](C)Sc2ccccc21 ZINC000036661735 519172357 /nfs/dbraw/zinc/17/23/57/519172357.db2.gz NBXNAINRRKYKBD-CYBMUJFWSA-N 0 0 374.535 3.782 50 30 FHEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccccn1 ZINC000005100965 519222801 /nfs/dbraw/zinc/22/28/01/519222801.db2.gz VJMGJLQKQLBAGL-UHFFFAOYSA-N 0 0 365.462 3.565 50 30 FHEARN C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nc2sccc2c1=O ZINC000036800675 519258314 /nfs/dbraw/zinc/25/83/14/519258314.db2.gz QCEWDSFPRDIZPQ-GFCCVEGCSA-N 0 0 371.487 3.763 50 30 FHEARN C=CCn1c2c(cccc2OC)sc1=NC(=O)c1ccc(C(C)=O)cc1 ZINC000100909646 519259905 /nfs/dbraw/zinc/25/99/05/519259905.db2.gz KXBCNPFIJQHVNZ-MRCUWXFGSA-N 0 0 366.442 3.841 50 30 FHEARN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3[C@H](OC(C)=O)C[C@]12C ZINC000254438765 519757093 /nfs/dbraw/zinc/75/70/93/519757093.db2.gz FAGOJCSZVVRBFD-BSZVOWMXSA-N 0 0 374.477 3.602 50 30 FHEARN CCCCCCCCCNC(=O)C[C@H](NC(N)=O)c1ccccc1F ZINC000102807930 520027290 /nfs/dbraw/zinc/02/72/90/520027290.db2.gz VCGPFSVJXFIHSU-KRWDZBQOSA-N 0 0 351.466 3.792 50 30 FHEARN CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O ZINC000101662196 520067518 /nfs/dbraw/zinc/06/75/18/520067518.db2.gz DCHYEZSKRGMUSB-NRFANRHFSA-N 0 0 373.497 3.913 50 30 FHEARN CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O ZINC000101662297 520067597 /nfs/dbraw/zinc/06/75/97/520067597.db2.gz CHAYZVUBOBGAQY-OAQYLSRUSA-N 0 0 373.497 3.913 50 30 FHEARN CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O ZINC000101662435 520068924 /nfs/dbraw/zinc/06/89/24/520068924.db2.gz YHMUYNMMXOOEFN-OAQYLSRUSA-N 0 0 373.497 3.913 50 30 FHEARN CCOC(=O)/C=C/c1ccc(NC(=O)N(CCC#N)Cc2ccco2)cc1 ZINC000079105270 520401374 /nfs/dbraw/zinc/40/13/74/520401374.db2.gz BKPOKODDJWPEKX-DHZHZOJOSA-N 0 0 367.405 3.804 50 30 FHEARN CCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 ZINC000002370899 520715733 /nfs/dbraw/zinc/71/57/33/520715733.db2.gz MCYFJJSKMSILGQ-INIZCTEOSA-N 0 0 366.465 3.817 50 30 FHEARN CCN(CC)c1ccc(/C=N/NC(=S)Nc2ccc(OC)cc2)cc1 ZINC000002506354 520883558 /nfs/dbraw/zinc/88/35/58/520883558.db2.gz QKXWJKSXSPJCIA-XSFVSMFZSA-N 0 0 356.495 3.862 50 30 FHEARN CCOc1ccc([C@@H](C)NC(=O)CCc2c(C)nn(CCC#N)c2C)cc1 ZINC000025049092 521218474 /nfs/dbraw/zinc/21/84/74/521218474.db2.gz ZLXLIIDTMULNQS-OAHLLOKOSA-N 0 0 368.481 3.622 50 30 FHEARN CCOc1cccc(C=NN2CCN(Cc3ccccc3Cl)CC2)c1O ZINC000244594039 521327788 /nfs/dbraw/zinc/32/77/88/521327788.db2.gz DFLGMQSIIWEGOA-UHFFFAOYSA-N 0 0 373.884 3.596 50 30 FHEARN CN(CCC#N)C(=O)CSc1nc(-c2cccs2)nc2ccccc21 ZINC000005287912 522669364 /nfs/dbraw/zinc/66/93/64/522669364.db2.gz YDOSJKJQDIIAJD-UHFFFAOYSA-N 0 0 368.487 3.822 50 30 FHEARN COc1ccc(C(=O)C=C(C)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000004998742 523536809 /nfs/dbraw/zinc/53/68/09/523536809.db2.gz OKHZGUXPWGFESD-FOCLMDBBSA-N 0 0 352.434 3.730 50 30 FHEARN COc1ccc(C(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000033400020 523544392 /nfs/dbraw/zinc/54/43/92/523544392.db2.gz ZKYRYELHPFTZTI-VURMDHGXSA-N 0 0 358.390 3.626 50 30 FHEARN CCn1ccnc1Cn1ccc(-c2cccc(-c3ncccc3C#N)c2)n1 ZINC000020868814 523547222 /nfs/dbraw/zinc/54/72/22/523547222.db2.gz HDOPZXLYCXFHEC-UHFFFAOYSA-N 0 0 354.417 3.748 50 30 FHEARN CN(C(=O)CSc1ncc(-c2ccccc2)n1C)C1(C#N)CCCCC1 ZINC000005263980 523839706 /nfs/dbraw/zinc/83/97/06/523839706.db2.gz LYAPDKWJOSDKIL-UHFFFAOYSA-N 0 0 368.506 3.864 50 30 FHEARN CC[C@H](C)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCC1 ZINC000002367036 523888740 /nfs/dbraw/zinc/88/87/40/523888740.db2.gz WQQIXFOUKOQUCN-JKSUJKDBSA-N 0 0 366.465 3.817 50 30 aggregator FHEARN COc1ccccc1-c1ncc(Cn2cc(-c3cccc(C#N)c3)nn2)s1 ZINC000091469016 524281668 /nfs/dbraw/zinc/28/16/68/524281668.db2.gz FZARBMMWFACDDM-UHFFFAOYSA-N 0 0 373.441 3.997 50 30 FHEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=NNC(N)=S)CC[C@]34C)[C@H]1CC[C@H]2O ZINC000252680296 525348733 /nfs/dbraw/zinc/34/87/33/525348733.db2.gz YSALUCJHTGLMGQ-FGKVXCHISA-N 0 0 363.571 3.579 50 30 FHEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1CC/C2=N/NC(N)=S ZINC000252694544 525349657 /nfs/dbraw/zinc/34/96/57/525349657.db2.gz LYALGFDSSRNLPA-VRNCWOFUSA-N 0 0 363.571 3.579 50 30 FHEARN Cc1ccc(OCCN(C)C(=O)c2cccc(C#CC(C)(C)O)c2)c(C)c1 ZINC000055098880 525415294 /nfs/dbraw/zinc/41/52/94/525415294.db2.gz CAGODNYCADSNBC-UHFFFAOYSA-N 0 0 365.473 3.577 50 30 FHEARN COc1ccc2c(c1)/C(=N\OC(=O)c1ccc(OC)c([N+](=O)[O-])c1)CCC2 ZINC000015686316 525506344 /nfs/dbraw/zinc/50/63/44/525506344.db2.gz LBYOAMVUTPDSCW-SILNSSARSA-N 0 0 370.361 3.509 50 30 FHEARN Cc1ccc(-c2ccc(CN=Nc3ccc([N+](=O)[O-])cn3)o2)c([N+](=O)[O-])c1 ZINC000004082092 525743477 /nfs/dbraw/zinc/74/34/77/525743477.db2.gz LKFATECQOILDQV-VXLYETTFSA-N 0 0 367.321 3.912 50 30 FHEARN Cc1ccsc1/C=C/C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 ZINC000016171960 525814071 /nfs/dbraw/zinc/81/40/71/525814071.db2.gz YYGNCISIPNVALK-DKFQHHCZSA-N 0 0 369.465 3.618 50 30 FHEARN Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nccs2)cc1C ZINC000005000340 525840773 /nfs/dbraw/zinc/84/07/73/525840773.db2.gz VGPLUDJWOWZFOP-UHFFFAOYSA-N 0 0 351.435 3.789 50 30 FHEARN N#CCC(=O)Nc1ccc(C(=O)OCCCOc2ccc(Cl)cc2)cc1 ZINC000025396355 526443869 /nfs/dbraw/zinc/44/38/69/526443869.db2.gz ORKKXYHFTLWPKD-UHFFFAOYSA-N 0 0 372.808 3.818 50 30 FHEARN Cc1nc(CC(=O)N2/C(=N/Cc3ccccc3)SCC2(C)C)cs1 ZINC000021362024 526786541 /nfs/dbraw/zinc/78/65/41/526786541.db2.gz UFCIICLYGJIPSV-ZPHPHTNESA-N 0 0 359.520 3.904 50 30 FHEARN O=S(=O)(N/N=C(/Cc1ccccc1)c1ccccc1)c1ccccc1 ZINC000004800601 527201436 /nfs/dbraw/zinc/20/14/36/527201436.db2.gz UYVQUWAQWPSWOL-MRCUWXFGSA-N 0 0 350.443 3.612 50 30 FHEARN O=C(/C=C\c1ccccc1F)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000096792367 527658145 /nfs/dbraw/zinc/65/81/45/527658145.db2.gz NJZRMJQRYIIHGP-RAXLEYEMSA-N 0 0 373.449 3.896 50 30 FHEARN C=CCOc1c(Br)c(Br)c(C=O)cc1OC ZINC000002767386 568053341 /nfs/dbraw/zinc/05/33/41/568053341.db2.gz NGVFYZIFAADHJU-UHFFFAOYSA-N 0 0 350.006 3.598 50 30 FHEARN N#C[C@H](C1=NC(=O)CS1)[C@@H](CC(=O)c1cccs1)c1ccccc1 ZINC000012322142 568155817 /nfs/dbraw/zinc/15/58/17/568155817.db2.gz GEIRPHIWQKUAFL-KBPBESRZSA-N 0 0 354.456 3.916 50 30 FHEARN CCOc1cc(/C=C2\C(=O)ON=C2C)ccc1OC(=O)c1cccs1 ZINC000033436271 568513588 /nfs/dbraw/zinc/51/35/88/568513588.db2.gz XBJUGAJTMFCPPS-LCYFTJDESA-N 0 0 357.387 3.682 50 30 FHEARN CC(=O)N(c1ccc(Cl)cc1)C1=C(N(C)C)C(=O)c2ccccc2C1=O ZINC000004826342 570518294 /nfs/dbraw/zinc/51/82/94/570518294.db2.gz HOCOKDUCUBZFEE-UHFFFAOYSA-N 0 0 368.820 3.545 50 30 FHEARN CC(=O)NCCN(C(=O)CCC(C)C)c1ccc(Br)cn1 ZINC000328589896 570525297 /nfs/dbraw/zinc/52/52/97/570525297.db2.gz NQIUPDGCCRZRGF-UHFFFAOYSA-N 0 0 356.264 3.590 50 30 FHEARN CC(=O)[C@@H]1[C@H](c2cccc(F)c2)C(C#N)(C#N)[C@@H]2C=Cc3ccccc3N12 ZINC000033445778 570552125 /nfs/dbraw/zinc/55/21/25/570552125.db2.gz FARYOVKZTHXNHH-PCCBWWKXSA-N 0 0 357.388 3.816 50 30 FHEARN O=C(O/N=C1\CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC000004072822 570574720 /nfs/dbraw/zinc/57/47/20/570574720.db2.gz QVLBZDANHVVABB-FNFFHQHPSA-N 0 0 373.321 3.967 50 30 FHEARN Cc1ccc(C(=O)ONC(=N)CSc2ccc(C(F)(F)F)cn2)cc1 ZINC000004365255 570587379 /nfs/dbraw/zinc/58/73/79/570587379.db2.gz DPPZPKITBQWAET-UHFFFAOYSA-N 0 0 369.368 3.630 50 30 FHEARN C[C@H](Nc1ccc(OCC(F)(F)F)cc1)C(=O)Nc1ccccc1C#N ZINC000011712591 570592186 /nfs/dbraw/zinc/59/21/86/570592186.db2.gz XISFPGSPHFWURY-LBPRGKRZSA-N 0 0 363.339 3.938 50 30 FHEARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@H]2c2ccccc2C(F)(F)F)C1 ZINC000004488715 570592420 /nfs/dbraw/zinc/59/24/20/570592420.db2.gz NWIAKHUUFNBWDD-HNNXBMFYSA-N 0 0 362.355 3.955 50 30 FHEARN COc1cccc([C@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)c1OC(C)C ZINC000004488920 570592426 /nfs/dbraw/zinc/59/24/26/570592426.db2.gz SIGDUXUNSUGWJQ-CQSZACIVSA-N 0 0 357.450 3.729 50 30 FHEARN COc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1cccs1)C2 ZINC000004520694 570594937 /nfs/dbraw/zinc/59/49/37/570594937.db2.gz GWDTVFISSNNIPW-GXTWGEPZSA-N 0 0 353.443 3.761 50 30 FHEARN CN(CCC#N)C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000011923288 570602266 /nfs/dbraw/zinc/60/22/66/570602266.db2.gz CMLWKNFMHCLXRY-UHFFFAOYSA-N 0 0 350.447 3.646 50 30 FHEARN O=C1c2ccccc2C(=O)C(N2CCCC2)=C1Nc1ccc(F)c(F)c1 ZINC000004725352 570603230 /nfs/dbraw/zinc/60/32/30/570603230.db2.gz ZAPYHKKXEHHZKF-UHFFFAOYSA-N 0 0 354.356 3.763 50 30 FHEARN Cc1ccc(S(=O)(=O)N=C(Nc2cccc(O)c2)c2ccccc2)cc1 ZINC000004859651 570611239 /nfs/dbraw/zinc/61/12/39/570611239.db2.gz JIBSUPQPIXCLBS-UHFFFAOYSA-N 0 0 366.442 3.948 50 30 FHEARN O=C1C[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000004914112 570613526 /nfs/dbraw/zinc/61/35/26/570613526.db2.gz AFZFNIMBAMPYFQ-JSGCOSHPSA-N 0 0 368.414 3.661 50 30 FHEARN O=C1C[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000004914125 570613534 /nfs/dbraw/zinc/61/35/34/570613534.db2.gz AFZFNIMBAMPYFQ-GXTWGEPZSA-N 0 0 368.414 3.661 50 30 FHEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@H]2c1ccc(F)c(Br)c1 ZINC000004912448 570613686 /nfs/dbraw/zinc/61/36/86/570613686.db2.gz NMVJTZIHYXNANJ-JTQLQIEISA-N 0 0 366.230 3.835 50 30 FHEARN C=CCN1C(=O)[C@H](Cc2ccc(F)cc2)S/C1=N\N=C\c1ccccc1 ZINC000005047096 570619177 /nfs/dbraw/zinc/61/91/77/570619177.db2.gz QCOVCJQGBPASPF-ZTFHPCNJSA-N 0 0 367.449 3.888 50 30 FHEARN COc1cc(CN=Nc2nnnn2-c2cccc3ccccc32)ccc1C ZINC000252617444 570624017 /nfs/dbraw/zinc/62/40/17/570624017.db2.gz KSXSYGJJXXCDCR-UHFFFAOYSA-N 0 0 358.405 3.579 50 30 FHEARN CC(=O)O/N=C1/c2ccccc2-c2ccc(I)cc21 ZINC000005481100 570628218 /nfs/dbraw/zinc/62/82/18/570628218.db2.gz BTKIBFVBXUMETA-ICFOKQHNSA-N 0 0 363.154 3.587 50 30 FHEARN CCc1ccc(-c2nc(SCC(=O)Nc3ccccc3C#N)n[nH]2)cc1 ZINC000005180332 570629519 /nfs/dbraw/zinc/62/95/19/570629519.db2.gz KWRXEAOCSTZJOY-UHFFFAOYSA-N 0 0 363.446 3.637 50 30 FHEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccncc1 ZINC000005649190 570632619 /nfs/dbraw/zinc/63/26/19/570632619.db2.gz MZCKGPWIGOCOEV-QGMBQPNBSA-N 0 0 350.234 3.818 50 30 FHEARN CO/N=C/NC(=O)[C@H](c1ccccc1)c1ncc(C(F)(F)F)cc1Cl ZINC000005209461 570633334 /nfs/dbraw/zinc/63/33/34/570633334.db2.gz SHSTWGYTKCDLNS-CYBMUJFWSA-N 0 0 371.746 3.592 50 30 FHEARN COc1ccc(S(=O)(=O)O/N=C2\CCSc3ccc(C)cc32)cc1 ZINC000005815113 570636530 /nfs/dbraw/zinc/63/65/30/570636530.db2.gz CQLZQMDBENGQAJ-FBMGVBCBSA-N 0 0 363.460 3.609 50 30 FHEARN COc1ccc(/C=C2/S/C(=N\N=C\c3ccccc3Cl)NC2=O)cc1 ZINC000006230285 570643580 /nfs/dbraw/zinc/64/35/80/570643580.db2.gz ZQUGPTONPVFTRQ-KHGLHOOQSA-N 0 0 371.849 3.943 50 30 FHEARN N#Cc1ccccc1NC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O ZINC000005269335 570644592 /nfs/dbraw/zinc/64/45/92/570644592.db2.gz DUZSUZFIOYHIKJ-UHFFFAOYSA-N 0 0 363.804 3.674 50 30 FHEARN O=C(C=C1NCCc2cc3c(cc21)OCO3)c1ccc(Br)cc1 ZINC000005352869 570648852 /nfs/dbraw/zinc/64/88/52/570648852.db2.gz LJHPQEXPPJLYQB-DHDCSXOGSA-N 0 0 372.218 3.547 50 30 biogenic FHEARN Cc1cc(O[C@@H](C)C(=O)NCc2ccccn2)c2c(C)cc(=O)oc2c1 ZINC000005322676 570648906 /nfs/dbraw/zinc/64/89/06/570648906.db2.gz OWYCCKQAXBCYIR-AWEZNQCLSA-N 0 0 352.390 3.729 50 30 FHEARN N#Cc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCCCC3)cc1 ZINC000005362361 570650138 /nfs/dbraw/zinc/65/01/38/570650138.db2.gz PPVHEIVZMIDJOU-UHFFFAOYSA-N 0 0 354.431 3.684 50 30 FHEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(F)c2)cc1 ZINC000006819613 570654810 /nfs/dbraw/zinc/65/48/10/570654810.db2.gz YZIKUPLKYXFVGO-QAPCUYQASA-N 0 0 365.404 3.839 50 30 FHEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2F)cc1 ZINC000006819749 570654940 /nfs/dbraw/zinc/65/49/40/570654940.db2.gz SHNSJIYHHFCBLI-RHSMWYFYSA-N 0 0 365.404 3.839 50 30 FHEARN Cc1cccc(NC(=O)[C@H](C#N)c2nc3ccccc3nc2OC(C)C)c1 ZINC000005451862 570657655 /nfs/dbraw/zinc/65/76/55/570657655.db2.gz AQDOQLMCNQXURN-MRXNPFEDSA-N 0 0 360.417 3.971 50 30 FHEARN Cc1cc2c(cc1/C=C1/S/C(=N/c3ccccc3)N(C)C1=O)OCO2 ZINC000012468011 570748240 /nfs/dbraw/zinc/74/82/40/570748240.db2.gz VQOOLBOIAVIGLV-ZRVSGIAJSA-N 0 0 352.415 3.958 50 30 FHEARN CCN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N\c1ccc(F)cc1 ZINC000004460944 570792685 /nfs/dbraw/zinc/79/26/85/570792685.db2.gz WKPPEZGMWARDKV-BWORXHKJSA-N 0 0 371.437 3.806 50 30 FHEARN N#C[C@H](C(=O)Nc1ccccn1)C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000102104147 570826918 /nfs/dbraw/zinc/82/69/18/570826918.db2.gz OXDKWQBCSKCRNG-INIZCTEOSA-N 0 0 373.437 3.870 50 30 FHEARN CC(=O)c1ccc(O[C@@H](C)C(=O)OCc2cn3ccccc3c2C#N)cc1 ZINC000032895767 570836505 /nfs/dbraw/zinc/83/65/05/570836505.db2.gz HWRPBMBNAWJGSJ-HNNXBMFYSA-N 0 0 362.385 3.524 50 30 FHEARN N#CCCN(C(=O)COC(=O)c1cc2ccccc2o1)c1ccc(F)cc1 ZINC000004563566 570837778 /nfs/dbraw/zinc/83/77/78/570837778.db2.gz AKYPNBNWOIWWFE-UHFFFAOYSA-N 0 0 366.348 3.676 50 30 FHEARN COc1ccc(OCC(=O)Nc2cccc(C#Cc3ccccn3)c2)cc1 ZINC000032905219 570843670 /nfs/dbraw/zinc/84/36/70/570843670.db2.gz CCEJAVOJHJHNAC-UHFFFAOYSA-N 0 0 358.397 3.508 50 30 FHEARN Cc1ccc(C[C@@H](C#N)c2c(C#N)c(N)nc(N3CCCCC3)c2C#N)cc1 ZINC000015981512 570849064 /nfs/dbraw/zinc/84/90/64/570849064.db2.gz XIGQAXMLRDUCCA-KRWDZBQOSA-N 0 0 370.460 3.556 50 30 FHEARN NC1=C(c2nc3ccccc3[nH]2)C(=O)[C@@H](c2ccccc2)N1Cc1ccco1 ZINC000103432339 570849960 /nfs/dbraw/zinc/84/99/60/570849960.db2.gz MJBOQXPRAXCXOI-LJQANCHMSA-N 0 0 370.412 3.609 50 30 FHEARN C[C@@H]1c2cccn2CCN1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000103508106 570851085 /nfs/dbraw/zinc/85/10/85/570851085.db2.gz HOZOLXLZYLTADS-UONOGXRCSA-N 0 0 368.506 3.561 50 30 FHEARN COc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)c(C#N)c2)cc1 ZINC000032930687 570871333 /nfs/dbraw/zinc/87/13/33/570871333.db2.gz MJQJMPUJSRYHJP-UHFFFAOYSA-N 0 0 350.296 3.760 50 30 FHEARN N#Cc1ccccc1S(=O)(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000032935757 570873241 /nfs/dbraw/zinc/87/32/41/570873241.db2.gz XNPVSWTXSBZQMC-IBGZPJMESA-N 0 0 358.438 3.907 50 30 FHEARN O=C1Oc2ccccc2C(=O)C1=CN=c1[nH]c2c(cc(F)cc2F)s1 ZINC000044827552 570899782 /nfs/dbraw/zinc/89/97/82/570899782.db2.gz JNTBFJQNAMMGPE-YFHOEESVSA-N 0 0 358.325 3.672 50 30 FHEARN Cc1cccc(C(=O)N/C(=N/c2cccc(F)c2)NCc2ccncc2)c1 ZINC000045939716 570915286 /nfs/dbraw/zinc/91/52/86/570915286.db2.gz UYJWCJPBUCTOMQ-UHFFFAOYSA-N 0 0 362.408 3.736 50 30 FHEARN CCc1ccc(NC(=NC(=O)c2ccc(C)cc2)NC[C@H]2CCCO2)cc1 ZINC000046133363 570928979 /nfs/dbraw/zinc/92/89/79/570928979.db2.gz LVWPTKZZILVFMR-HXUWFJFHSA-N 0 0 365.477 3.934 50 30 FHEARN Cc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cccc(F)c2)cc1C ZINC000046131824 570929005 /nfs/dbraw/zinc/92/90/05/570929005.db2.gz KDTRUEZJGKFIIG-IBGZPJMESA-N 0 0 369.440 3.819 50 30 FHEARN CCN(Cc1csc(-c2ncccn2)n1)Cc1ccc(C#N)cc1F ZINC000048277939 570942226 /nfs/dbraw/zinc/94/22/26/570942226.db2.gz AIWJTLNJTUBJMC-UHFFFAOYSA-N 0 0 353.426 3.633 50 30 FHEARN C=CCN(Cc1ccccc1OC)C(=O)c1cc(-c2ccccc2O)n[nH]1 ZINC000067431950 570982972 /nfs/dbraw/zinc/98/29/72/570982972.db2.gz LDYNEQKVZGNYQR-UHFFFAOYSA-N 0 0 363.417 3.619 50 30 FHEARN COc1cc(CCC2CCN(C[C@@H](C#N)CCC#N)CC2)cc(OC)c1 ZINC000025307392 570993655 /nfs/dbraw/zinc/99/36/55/570993655.db2.gz PACDXTMNYZFGGL-LJQANCHMSA-N 0 0 355.482 3.792 50 30 FHEARN CCOC(=O)c1ccc(NN=C(C#N)c2nc3ccccc3s2)cc1 ZINC000026687089 571007063 /nfs/dbraw/zinc/00/70/63/571007063.db2.gz LLEXNBXMNAGJKA-JCMHNJIXSA-N 0 0 350.403 3.813 50 30 FHEARN C=CCN1C(=O)/C(=C\c2cc(C)n(-c3cccnc3)c2C)SC1=S ZINC000002994340 571014102 /nfs/dbraw/zinc/01/41/02/571014102.db2.gz IUKVIMXVJLCZAZ-MHWRWJLKSA-N 0 0 355.488 3.876 50 30 FHEARN Cc1ccc([C@](O)(CCNc2ccc([N+](=O)[O-])cc2C#N)C(F)(F)F)o1 ZINC000012731857 571056460 /nfs/dbraw/zinc/05/64/60/571056460.db2.gz PAQGAPMGZDJNRH-OAHLLOKOSA-N 0 0 369.299 3.620 50 30 FHEARN COC(=O)[C@H]1C[C@@H](C2CCCCC2)CN1Cc1ccc(OCC#N)cc1 ZINC000072305038 571060230 /nfs/dbraw/zinc/06/02/30/571060230.db2.gz IJAXEOFHPVWMIY-UYAOXDASSA-N 0 0 356.466 3.533 50 30 FHEARN C[C@H](Sc1n[nH]c(-c2cccs2)n1)C(=O)Nc1ccc(C#N)cc1 ZINC000008757202 571060356 /nfs/dbraw/zinc/06/03/56/571060356.db2.gz ANCRATXTGPRLSO-JTQLQIEISA-N 0 0 355.448 3.524 50 30 FHEARN C=CCN(Cc1ccccc1F)C(=O)C[C@@H](NC(C)=O)c1cccs1 ZINC000058202372 571062776 /nfs/dbraw/zinc/06/27/76/571062776.db2.gz OAWNYKWKNWJDOY-QGZVFWFLSA-N 0 0 360.454 3.669 50 30 FHEARN Cc1ccc2[nH]c(C3=C(N)N(c4ccc(C)c(Cl)c4)CC3=O)nc2c1 ZINC000008844110 571062963 /nfs/dbraw/zinc/06/29/63/571062963.db2.gz AGBFATWFPYLDNE-UHFFFAOYSA-N 0 0 352.825 3.550 50 30 FHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCc1nc2ccccc2nc1C ZINC000039978722 571067004 /nfs/dbraw/zinc/06/70/04/571067004.db2.gz JSUVXVXJMIHWHC-UHFFFAOYSA-N 0 0 372.384 3.859 50 30 FHEARN OCC#Cc1ccc(-c2c(-c3ccccc3)ncn2CCc2c[nH]cn2)s1 ZINC000065387127 571073833 /nfs/dbraw/zinc/07/38/33/571073833.db2.gz YCUGFGSWZFBQCE-UHFFFAOYSA-N 0 0 374.469 3.588 50 30 FHEARN N#CCSc1ccccc1C(=O)NCc1cccnc1OC1CCCC1 ZINC000040091111 571075065 /nfs/dbraw/zinc/07/50/65/571075065.db2.gz DEPZFNOCEBREMD-UHFFFAOYSA-N 0 0 367.474 3.949 50 30 FHEARN N#Cc1ccc(NC(=O)NC[C@H](O)c2cccc(Cl)c2)cc1Cl ZINC000040103382 571076598 /nfs/dbraw/zinc/07/65/98/571076598.db2.gz NSMRAYMDXPOKJL-HNNXBMFYSA-N 0 0 350.205 3.720 50 30 FHEARN C[C@@]1(c2ccccc2C(F)(F)F)NC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000040116600 571079743 /nfs/dbraw/zinc/07/97/43/571079743.db2.gz PVHURDZAUPILBA-SFHVURJKSA-N 0 0 373.334 3.544 50 30 FHEARN N#Cc1ccc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cc1 ZINC000040145614 571085236 /nfs/dbraw/zinc/08/52/36/571085236.db2.gz RLQUXGMNTNSJLF-UHFFFAOYSA-N 0 0 363.804 3.674 50 30 FHEARN O=S(=O)(C#Cc1ccccc1)N1CCC[C@@H]1c1nc2ccccc2s1 ZINC000084517734 571087405 /nfs/dbraw/zinc/08/74/05/571087405.db2.gz SXMFIOOGCAXQRY-QGZVFWFLSA-N 0 0 368.483 3.772 50 30 FHEARN CC1(C)CC2=C(C(=O)C1)[C@@](Nc1ccc(F)cc1)(C(F)(F)F)C(=O)O2 ZINC000040268297 571092645 /nfs/dbraw/zinc/09/26/45/571092645.db2.gz CZMJONBXQXEWLU-INIZCTEOSA-N 0 0 357.303 3.739 50 30 FHEARN C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1ccccc1C ZINC000007720158 571104629 /nfs/dbraw/zinc/10/46/29/571104629.db2.gz VEEYPFAUMYTCPM-UHFFFAOYSA-N 0 0 363.417 3.882 50 30 FHEARN C=CCOC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12 ZINC000005789340 571111684 /nfs/dbraw/zinc/11/16/84/571111684.db2.gz WUGZRGKTGYDEPB-UHFFFAOYSA-N 0 0 370.368 3.632 50 30 biogenic FHEARN O=C(NCC#CCOc1cccc(C(F)(F)F)c1)Nc1cccs1 ZINC000085558691 571120273 /nfs/dbraw/zinc/12/02/73/571120273.db2.gz XSOUWULSVCDKEA-UHFFFAOYSA-N 0 0 354.353 3.971 50 30 FHEARN O=[N+]([O-])c1ccc(CN=Nc2ncnc3sc4c(c32)CCCC4)cc1 ZINC000004016744 571127349 /nfs/dbraw/zinc/12/73/49/571127349.db2.gz RKIPDJPEXQBYAT-AWQFTUOYSA-N 0 0 353.407 3.924 50 30 FHEARN Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1cccc(C#N)c1 ZINC000010516517 571127869 /nfs/dbraw/zinc/12/78/69/571127869.db2.gz WSPHFDXEMGMDOU-UHFFFAOYSA-N 0 0 369.428 3.942 50 30 FHEARN N#Cc1ccc(OCCOC(=O)c2cc(C3CC3)nn2-c2ccccc2)cc1 ZINC000012846045 571128339 /nfs/dbraw/zinc/12/83/39/571128339.db2.gz YAYQGXXWSXNROF-UHFFFAOYSA-N 0 0 373.412 3.857 50 30 FHEARN COc1cc(C#N)cc(Cl)c1OCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000006126655 571128727 /nfs/dbraw/zinc/12/87/27/571128727.db2.gz BGWYGSGOTLZXDD-UHFFFAOYSA-N 0 0 374.868 3.684 50 30 FHEARN CC(C)c1cc(C(=O)NCC#Cc2ccccc2)c2cnn(C(C)C)c2n1 ZINC000025148854 571135429 /nfs/dbraw/zinc/13/54/29/571135429.db2.gz BTBUGKSHFHROEG-UHFFFAOYSA-N 0 0 360.461 3.917 50 30 FHEARN N#C[C@@H](NC(=O)c1ccn(-c2cccc(Cl)c2)n1)c1ccccc1F ZINC000076646674 571139349 /nfs/dbraw/zinc/13/93/49/571139349.db2.gz BVSJSFPEFLVJLG-QGZVFWFLSA-N 0 0 354.772 3.659 50 30 FHEARN COc1nc2ccccc2cc1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000006169895 571139561 /nfs/dbraw/zinc/13/95/61/571139561.db2.gz MEYPCRULALUDJD-VCHYOVAHSA-N 0 0 367.321 3.506 50 30 FHEARN N#C[C@@H](NC(=O)c1csc(I)c1)C1CCCCC1 ZINC000123469022 571141212 /nfs/dbraw/zinc/14/12/12/571141212.db2.gz IGRJSOGODMEZMD-LLVKDONJSA-N 0 0 374.247 3.555 50 30 FHEARN CN(Cc1cccc(C#N)c1)C(=O)c1ccc(Br)c([N+](=O)[O-])c1 ZINC000025293794 571143479 /nfs/dbraw/zinc/14/34/79/571143479.db2.gz ODUWYIXDSORQCB-UHFFFAOYSA-N 0 0 374.194 3.501 50 30 FHEARN N#Cc1ccc(OCC(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1 ZINC000025322020 571143619 /nfs/dbraw/zinc/14/36/19/571143619.db2.gz SBIQHFGJSKINGG-UHFFFAOYSA-N 0 0 353.378 3.838 50 30 FHEARN COCCOC(=O)Nc1cccc(NCC#Cc2ccc(Cl)cc2)c1 ZINC000075105181 571154708 /nfs/dbraw/zinc/15/47/08/571154708.db2.gz DWBVYYDLFQDALM-UHFFFAOYSA-N 0 0 358.825 3.999 50 30 FHEARN C[C@@](O)(CNC(=O)c1ccc(C#N)cc1)c1ccc(-c2ccccc2)cc1 ZINC000075155380 571156958 /nfs/dbraw/zinc/15/69/58/571156958.db2.gz DMXBGANTUHERON-HSZRJFAPSA-N 0 0 356.425 3.863 50 30 FHEARN N#CC1(C#N)[C@@H](C(=O)c2ccccc2)[C@@H]1c1cc2c(cc1Cl)OCO2 ZINC000075273538 571159074 /nfs/dbraw/zinc/15/90/74/571159074.db2.gz LSBNYAZUKPZSLQ-DLBZAZTESA-N 0 0 350.761 3.699 50 30 FHEARN CN1C(=O)[C@H](CC(=O)Nc2ccccc2Cl)S/C1=N\c1ccccc1 ZINC000004681666 571160020 /nfs/dbraw/zinc/16/00/20/571160020.db2.gz NQFHGJRZBCMHGD-ZJYNUGOYSA-N 0 0 373.865 3.930 50 30 FHEARN O=C1CCCC2=Nc3nc4ccccc4n3[C@H](c3ccccc3[N+](=O)[O-])C12 ZINC000004684676 571160238 /nfs/dbraw/zinc/16/02/38/571160238.db2.gz YGGFHKIXNOIWQK-LJQANCHMSA-N 0 0 360.373 3.967 50 30 FHEARN N#Cc1c(N)nc2c(c1-c1ccc([C@H]3CCCCO3)o1)N1CCC2CC1 ZINC000102180088 571166458 /nfs/dbraw/zinc/16/64/58/571166458.db2.gz ZCJWKBSINCUPPV-CQSZACIVSA-N 0 0 350.422 3.734 50 30 FHEARN C=CCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(Cl)cc1Cl ZINC000004716231 571167510 /nfs/dbraw/zinc/16/75/10/571167510.db2.gz JNRPGRULSVJECL-AWEZNQCLSA-N 0 0 365.220 3.603 50 30 FHEARN C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CCC)C2=O)cc1OC ZINC000005891164 571167565 /nfs/dbraw/zinc/16/75/65/571167565.db2.gz KEMOCCDSWTUNBX-GXDHUFHOSA-N 0 0 365.838 3.807 50 30 FHEARN CCc1c(C)sc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C#N ZINC000004719200 571168268 /nfs/dbraw/zinc/16/82/68/571168268.db2.gz NUDDMMBDHWHOEH-UHFFFAOYSA-N 0 0 360.351 3.559 50 30 FHEARN C=CCOc1c(Cl)cc(/C=C2/C(=O)N(CCC#N)N=C2C)cc1OCC ZINC000035404482 571168382 /nfs/dbraw/zinc/16/83/82/571168382.db2.gz LHYLOFDZVRRZRA-XNTDXEJSSA-N 0 0 373.840 3.819 50 30 FHEARN N#Cc1ccccc1Cn1cccc1-c1nc(-c2ccc3c(c2)OCO3)no1 ZINC000090610232 571180079 /nfs/dbraw/zinc/18/00/79/571180079.db2.gz DZALHUTYUFOWIC-UHFFFAOYSA-N 0 0 370.368 3.854 50 30 FHEARN C=CCOc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1OC ZINC000003662695 571187043 /nfs/dbraw/zinc/18/70/43/571187043.db2.gz SBMYQDMYJZOPGT-VBKFSLOCSA-N 0 0 372.490 3.650 50 30 FHEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)CSc3ncccn3)sc2C1 ZINC000006489402 571202151 /nfs/dbraw/zinc/20/21/51/571202151.db2.gz KPLUCSNYHYCLQG-LLVKDONJSA-N 0 0 358.492 3.655 50 30 FHEARN CC1N=NC(=S)N1N=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000075280123 571202943 /nfs/dbraw/zinc/20/29/43/571202943.db2.gz HAMNXMSPNHBLRS-UFFVCSGVSA-N 0 0 365.437 3.900 50 30 FHEARN N#Cc1ccccc1NC(=O)CSc1nnc(NC2CCCCC2)s1 ZINC000006566668 571209759 /nfs/dbraw/zinc/20/97/59/571209759.db2.gz KOTKSHDFJXYZQY-UHFFFAOYSA-N 0 0 373.507 3.885 50 30 FHEARN Cc1ccc(-c2csc3c2C(=O)NC2=C(c4ccccc4)C(=O)CN32)o1 ZINC000006589173 571210866 /nfs/dbraw/zinc/21/08/66/571210866.db2.gz BZNCBKBCFRAOAQ-UHFFFAOYSA-N 0 0 362.410 3.818 50 30 FHEARN CCCCCC(=O)O[C@H]1CC(C)=C2C(=O)C=C(C)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]21 ZINC000004073148 571210969 /nfs/dbraw/zinc/21/09/69/571210969.db2.gz SXRCHGAIVHKOIV-IRYBIPSUSA-N 0 0 360.450 3.522 50 30 biogenic FHEARN CCCCOc1ccc(C(=O)NOC(=O)Nc2ccccc2)cc1OC ZINC000006590330 571211205 /nfs/dbraw/zinc/21/12/05/571211205.db2.gz SZTGKKVILLLXHR-UHFFFAOYSA-N 0 0 358.394 3.768 50 30 FHEARN O=C(CNC(=O)N1CCC[C@@H]1c1ccsc1)N1CCCc2ccccc21 ZINC000328816459 571218364 /nfs/dbraw/zinc/21/83/64/571218364.db2.gz ORFLCMAJXANBHI-GOSISDBHSA-N 0 0 369.490 3.778 50 30 FHEARN Cc1ccnc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)n1 ZINC000006725950 571243558 /nfs/dbraw/zinc/24/35/58/571243558.db2.gz GQRWEEVSTZMFDM-JTQLQIEISA-N 0 0 358.492 3.574 50 30 FHEARN COC(=O)C1=C(Nc2ccccc2F)SC(=Cc2ccccc2O)C1=O ZINC000036257189 571246207 /nfs/dbraw/zinc/24/62/07/571246207.db2.gz MIZWETQQZJEXAQ-XNTDXEJSSA-N 0 0 371.389 3.685 50 30 FHEARN Cc1c(C)n(Cc2ccco2)c(NC(=O)CN2CCc3ccccc32)c1C#N ZINC000006821075 571248316 /nfs/dbraw/zinc/24/83/16/571248316.db2.gz ARWKGKXZGRFPQF-UHFFFAOYSA-N 0 0 374.444 3.619 50 30 FHEARN N#C[C@H](Cc1ccccc1)Sc1nnc([C@@H]2COc3ccccc3O2)o1 ZINC000006845504 571250411 /nfs/dbraw/zinc/25/04/11/571250411.db2.gz UBDDFUAHOHBTAY-YOEHRIQHSA-N 0 0 365.414 3.809 50 30 FHEARN Cc1ccccc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000006914491 571254372 /nfs/dbraw/zinc/25/43/72/571254372.db2.gz ZWJYWPGNXFGRSS-GFCCVEGCSA-N 0 0 368.458 3.849 50 30 FHEARN N#Cc1ccc(S(=O)(=O)N(Cc2ccco2)Cc2cccs2)cc1 ZINC000007217318 571263158 /nfs/dbraw/zinc/26/31/58/571263158.db2.gz XFIXQUSECNXYKY-UHFFFAOYSA-N 0 0 358.444 3.604 50 30 FHEARN C=C[C@@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@H](OC(C)=O)c1ccnc2ccc(OC)cc21 ZINC000252427937 571265046 /nfs/dbraw/zinc/26/50/46/571265046.db2.gz LBXIBQQYUBUMMK-LYZACZEUSA-N 0 0 366.461 3.744 50 30 FHEARN COc1ccc(C2N=NC(=S)N2N=CC=Cc2ccccc2)cc1OC ZINC000252452569 571278777 /nfs/dbraw/zinc/27/87/77/571278777.db2.gz PKWHLZHOUCVXNW-OXCWHKMQSA-N 0 0 366.446 3.798 50 30 FHEARN O=C1c2ccccc2C(=O)N1N=Cc1cccc(OCc2ccccc2)c1 ZINC000252461279 571279002 /nfs/dbraw/zinc/27/90/02/571279002.db2.gz LTWJOMLXCDXDIG-UHFFFAOYSA-N 0 0 356.381 3.896 50 30 FHEARN CCCNC(=O)CON=C(C)c1ccc(OCc2cccc(C)c2)cc1 ZINC000252474866 571279646 /nfs/dbraw/zinc/27/96/46/571279646.db2.gz NQVKXSVRINIPMF-UHFFFAOYSA-N 0 0 354.450 3.841 50 30 FHEARN COc1ccc(C=Nc2ccccc2-c2n[nH]c(=S)[n-]c2=O)cc1OC ZINC000003189764 571279900 /nfs/dbraw/zinc/27/99/00/571279900.db2.gz YKLNXOOVLLGTTO-VXLYETTFSA-N 0 0 368.418 3.675 50 30 FHEARN N#Cc1cccc(Nc2ncncc2-c2nc(-c3ccccc3F)no2)c1 ZINC000252489840 571280642 /nfs/dbraw/zinc/28/06/42/571280642.db2.gz KCBNZYHVXGYTEM-UHFFFAOYSA-N 0 0 358.336 3.948 50 30 FHEARN O=C1OC(=Nc2ccccc2)c2cccc3c(N4CCOCC4)ccc1c32 ZINC000252588940 571283801 /nfs/dbraw/zinc/28/38/01/571283801.db2.gz AGBCWBZTPLKHSQ-UHFFFAOYSA-N 0 0 358.397 3.925 50 30 FHEARN COc1ccc(N=C2S/C(=C/c3ccc(O)c(OC)c3)C(=O)N2C)cc1 ZINC000252595059 571284454 /nfs/dbraw/zinc/28/44/54/571284454.db2.gz BYDALXQNCNENDF-OEQLELKQSA-N 0 0 370.430 3.643 50 30 FHEARN COC(=O)c1c(N=Cc2cc(Cl)ccc2O)sc2c1CCN(C)C2 ZINC000252600520 571284568 /nfs/dbraw/zinc/28/45/68/571284568.db2.gz DSCCMMKJKLMOFB-UHFFFAOYSA-N 0 0 364.854 3.632 50 30 FHEARN CCOc1cc(C=NNC(=S)NCc2ccccc2)ccc1OC(C)C ZINC000252626000 571289079 /nfs/dbraw/zinc/28/90/79/571289079.db2.gz QTYQQBZHZYYVII-UHFFFAOYSA-N 0 0 371.506 3.871 50 30 FHEARN N#C[C@H](C(=O)Nc1ccccn1)C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000252679787 571292527 /nfs/dbraw/zinc/29/25/27/571292527.db2.gz RFSCISGKYQADMJ-IHRRRGAJSA-N 0 0 373.334 3.551 50 30 FHEARN Cc1nn(-c2ccccc2)c(C)c1/C=N\N1CCN(Cc2ccccc2)CC1 ZINC000012372218 571294198 /nfs/dbraw/zinc/29/41/98/571294198.db2.gz FOORCIAZMIWALX-ULJHMMPZSA-N 0 0 373.504 3.641 50 30 FHEARN COc1cc2c(cc1OC)[C@@H](C#N)N(C)[C@H](Cc1c[nH]c3ccccc13)C2 ZINC000101358777 571309137 /nfs/dbraw/zinc/30/91/37/571309137.db2.gz LIFURDFPQZSGJI-OXJNMPFZSA-N 0 0 361.445 3.849 50 30 FHEARN CCOc1ccc(C=NN2C(=S)N=NC2C2CCCCC2)cc1OC ZINC000253616950 571318906 /nfs/dbraw/zinc/31/89/06/571318906.db2.gz CEAFSWQAMYWBDV-UHFFFAOYSA-N 0 0 360.483 3.904 50 30 FHEARN C=CCN(C(=O)c1coc(-c2cccnc2)n1)c1nc2c(s1)CCCC2 ZINC000585106360 571320535 /nfs/dbraw/zinc/32/05/35/571320535.db2.gz VMBAJTFQXOLOHZ-UHFFFAOYSA-N 0 0 366.446 3.905 50 30 FHEARN Cc1ccc([C@H](CNc2oc(CC(C)C)nc2C#N)N2CCOCC2)cc1 ZINC000027793536 571321367 /nfs/dbraw/zinc/32/13/67/571321367.db2.gz DKDAGSLYZJMDNC-IBGZPJMESA-N 0 0 368.481 3.539 50 30 FHEARN COc1cccc(-c2nc(C(=O)Nc3ccc(C#N)cc3)cs2)c1OC ZINC000012821692 571322809 /nfs/dbraw/zinc/32/28/09/571322809.db2.gz CBDOCEQCJLXZJY-UHFFFAOYSA-N 0 0 365.414 3.951 50 30 FHEARN CSc1cc(NNC(=O)c2sc(C)nc2-c2ccccc2)ncn1 ZINC000328594334 571323727 /nfs/dbraw/zinc/32/37/27/571323727.db2.gz CPZCMMVGKLMSHM-UHFFFAOYSA-N 0 0 357.464 3.962 50 30 FHEARN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCOCC(F)(F)C1 ZINC000329677141 571327730 /nfs/dbraw/zinc/32/77/30/571327730.db2.gz VCDZRPRQIHRKKT-OAHLLOKOSA-N 0 0 366.408 3.705 50 30 FHEARN N#Cc1ccc(CNC(=O)c2ccc3nc(-c4ccccc4)cn3c2)cc1 ZINC000095368458 571328895 /nfs/dbraw/zinc/32/88/95/571328895.db2.gz SOZKEJQINVLUGT-UHFFFAOYSA-N 0 0 352.397 3.803 50 30 FHEARN N#Cc1ccc(OCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1 ZINC000002639348 571339772 /nfs/dbraw/zinc/33/97/72/571339772.db2.gz KYESUSLHPQUWJE-UHFFFAOYSA-N 0 0 371.368 3.977 50 30 FHEARN Cc1sc(NC(=S)NC(=O)COc2cccc(C)c2C)c(C#N)c1C ZINC000002840755 571341359 /nfs/dbraw/zinc/34/13/59/571341359.db2.gz QKKSZUVCGQBSLJ-UHFFFAOYSA-N 0 0 373.503 3.745 50 30 FHEARN CSc1nc(C)c(CCC(=O)OCc2ccc(C#N)cc2F)c(C)n1 ZINC000029890812 571343903 /nfs/dbraw/zinc/34/39/03/571343903.db2.gz PTCNRFANEXGYEA-UHFFFAOYSA-N 0 0 359.426 3.502 50 30 FHEARN CCCN(C)c1ccc(/C=N/NC(=S)Nc2ccccc2OC)cc1 ZINC000003051111 571344331 /nfs/dbraw/zinc/34/43/31/571344331.db2.gz WEDPWMDJPNNPBM-XSFVSMFZSA-N 0 0 356.495 3.862 50 30 FHEARN O=C(C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC000003175259 571345186 /nfs/dbraw/zinc/34/51/86/571345186.db2.gz XKJQUBQQCPBECX-HNNXBMFYSA-N 0 0 364.298 3.722 50 30 FHEARN N#Cc1ccc(Oc2ccc(NC(=O)N[C@@H]3CCc4n[nH]cc4C3)cc2)cc1 ZINC000163106651 571346138 /nfs/dbraw/zinc/34/61/38/571346138.db2.gz UELLQFQNHUZCGH-QGZVFWFLSA-N 0 0 373.416 3.753 50 30 FHEARN N#Cc1ccc(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 ZINC000003287774 571346654 /nfs/dbraw/zinc/34/66/54/571346654.db2.gz LJLMPRKGAAKVTQ-UHFFFAOYSA-N 0 0 369.424 3.783 50 30 FHEARN N#Cc1ccc(F)c(CN2CCCC[C@H]2CNC(=O)Nc2ccccc2)c1 ZINC000030590405 571346760 /nfs/dbraw/zinc/34/67/60/571346760.db2.gz HOWXJMDCBXLHCK-IBGZPJMESA-N 0 0 366.440 3.874 50 30 FHEARN Cc1cc(C(=O)COc2ccc(C#N)cc2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000003357958 571348317 /nfs/dbraw/zinc/34/83/17/571348317.db2.gz XPZDEGLEXUALLX-UHFFFAOYSA-N 0 0 374.396 3.956 50 30 FHEARN COc1cc(C#N)ccc1OCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000003374803 571348670 /nfs/dbraw/zinc/34/86/70/571348670.db2.gz GKPNGTXQOGKGTL-UHFFFAOYSA-N 0 0 372.424 3.851 50 30 FHEARN N#Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2N2CCCC2)cc1 ZINC000003407229 571349194 /nfs/dbraw/zinc/34/91/94/571349194.db2.gz WHZRSAATOSIYQP-UHFFFAOYSA-N 0 0 355.825 3.829 50 30 FHEARN C[C@@]1(c2cccc3ccccc32)NC(=O)N(Cc2ccccc2C#N)C1=O ZINC000003550832 571350978 /nfs/dbraw/zinc/35/09/78/571350978.db2.gz VFKJFDSWDONBES-QFIPXVFZSA-N 0 0 355.397 3.679 50 30 FHEARN COc1ccc(/C=C/C(=O)c2cc3ccccc3oc2=O)c(OC)c1OC ZINC000003911098 571353260 /nfs/dbraw/zinc/35/32/60/571353260.db2.gz AYENLEHJVYOYCP-CSKARUKUSA-N 0 0 366.369 3.715 50 30 biogenic FHEARN O=C(/C=C/c1cc(Br)c2c(c1)OCOC2)c1ccc(O)cc1 ZINC000004023355 571354088 /nfs/dbraw/zinc/35/40/88/571354088.db2.gz QMWDWKGODJLISL-LZCJLJQNSA-N 0 0 361.191 3.917 50 30 biogenic FHEARN N#Cc1cccc(C(=O)Nc2cccc(S(=O)(=O)C3CCCC3)c2)c1 ZINC000031984174 571354775 /nfs/dbraw/zinc/35/47/75/571354775.db2.gz GNECVLGRIONCPP-UHFFFAOYSA-N 0 0 354.431 3.527 50 30 FHEARN CCOC(=O)C1=C(C)NC(=Cc2cc(C)n(-c3cccc(C)c3)c2C)C1=O ZINC000004115487 571355482 /nfs/dbraw/zinc/35/54/82/571355482.db2.gz IXMJCDOHYBAOIS-XDHOZWIPSA-N 0 0 364.445 3.753 50 30 FHEARN CCOC(=O)C1=C(C)NC(=Cc2cc(C)n(-c3ccccc3F)c2C)C1=O ZINC000004115477 571355485 /nfs/dbraw/zinc/35/54/85/571355485.db2.gz SEBABWIAJNZWEC-GZTJUZNOSA-N 0 0 368.408 3.584 50 30 FHEARN O=C(/C=C/N1CCC[C@@H]1C(=O)Nc1cccc2ccccc21)C(F)(F)F ZINC000004119703 571355608 /nfs/dbraw/zinc/35/56/08/571355608.db2.gz HIMCEPMQQGXSHH-YBHKSSGVSA-N 0 0 362.351 3.888 50 30 FHEARN CSc1nc(Oc2cc(C)cc(C)c2)cc(-n2nc(C)c(C#N)c2N)n1 ZINC000004180867 571356529 /nfs/dbraw/zinc/35/65/29/571356529.db2.gz ZNASWYZODYMLDO-UHFFFAOYSA-N 0 0 366.450 3.556 50 30 FHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc4c(c3)OCCO4)sc2C1 ZINC000004194623 571356647 /nfs/dbraw/zinc/35/66/47/571356647.db2.gz OCWHYPVAFUTQRI-LLVKDONJSA-N 0 0 354.431 3.768 50 30 FHEARN COc1ccc(C(C)N=Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 ZINC000004188163 571356677 /nfs/dbraw/zinc/35/66/77/571356677.db2.gz TVFQJRYLNWXVQW-XKZIYDEJSA-N 0 0 368.824 3.731 50 30 FHEARN C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)N(C)C3(C#N)CCC3)cc2[N+](=O)[O-])C1 ZINC000066336788 571358361 /nfs/dbraw/zinc/35/83/61/571358361.db2.gz DDMITVAQPIYTRU-HUUCEWRRSA-N 0 0 370.453 3.595 50 30 FHEARN COc1ccc([C@@H]2CCCCCN2S(=O)(=O)c2ccc(C#N)cc2)cc1 ZINC000008075879 571358798 /nfs/dbraw/zinc/35/87/98/571358798.db2.gz VPXYPLWYFUDEPP-FQEVSTJZSA-N 0 0 370.474 3.873 50 30 FHEARN Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2Cc1nc(C(C)(C)C)no1 ZINC000332016374 945091784 /nfs/dbraw/zinc/09/17/84/945091784.db2.gz GLNUJNMIJXHIAT-UHFFFAOYSA-N 0 0 356.813 3.564 50 30 FHEARN C[C@@H](C(=O)N1CCCc2cc(C#N)ccc21)[C@H]1OCCc2sccc21 ZINC000584515828 941120153 /nfs/dbraw/zinc/12/01/53/941120153.db2.gz PBLUIHOZFXKNEJ-BFUOFWGJSA-N 0 0 352.459 3.849 50 30 FHEARN O=C(Nc1ccc(OC2CCCC2)nc1)N1CCc2ccc(O)cc2C1 ZINC000328799840 942072435 /nfs/dbraw/zinc/07/24/35/942072435.db2.gz XYGPTXIHVQSATE-UHFFFAOYSA-N 0 0 353.422 3.712 50 30 FHEARN CCO[C@@H]1C[C@H](NC(=O)N2CCC(Cc3cccnc3)CC2)C12CCC2 ZINC000329107773 942244703 /nfs/dbraw/zinc/24/47/03/942244703.db2.gz IDLNMBWDAOJEEQ-RBUKOAKNSA-N 0 0 357.498 3.598 50 30 FHEARN N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCC([C@@H]2CCCCO2)CC1 ZINC000596630846 946586697 /nfs/dbraw/zinc/58/66/97/946586697.db2.gz AORBGXSOHDGVMU-SFTDATJTSA-N 0 0 367.493 3.926 50 30 FHEARN N#CCN(C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)C1CCCC1 ZINC000170634247 222609753 /nfs/dbraw/zinc/60/97/53/222609753.db2.gz GGIUKGWMFGSKLY-UHFFFAOYSA-N 0 0 364.327 3.664 50 30 FHEARN CC(C)=C1Oc2c(ccc3c2[C@@H](c2ccnn2C(C)C)CC(=O)O3)C1=O ZINC000217849982 222674925 /nfs/dbraw/zinc/67/49/25/222674925.db2.gz AMNYBHKTAIPKHN-CYBMUJFWSA-N 0 0 352.390 3.774 50 30 FHEARN COc1ccc([C@@H](O)C(O)(C#Cc2ccccc2)C#Cc2ccccc2)cc1 ZINC000000652691 219308987 /nfs/dbraw/zinc/30/89/87/219308987.db2.gz QBQSTUROZAEQBD-XMMPIXPASA-N 0 0 368.432 3.563 50 30 FHEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cccs1 ZINC000000720036 219317271 /nfs/dbraw/zinc/31/72/71/219317271.db2.gz UIUNWMXQKVVVBW-PBQZTSCYSA-N 0 0 368.458 3.979 50 30 FHEARN C=C(C)Cn1c(SCC)nc2sc3c(c2c1=O)CC(C)(C)OC3 ZINC000000751900 219318129 /nfs/dbraw/zinc/31/81/29/219318129.db2.gz YCLCPWIVRFYYCX-UHFFFAOYSA-N 0 0 350.509 3.997 50 30 FHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccnc2)o1 ZINC000000796007 219322619 /nfs/dbraw/zinc/32/26/19/219322619.db2.gz NXVPISHGIGILFV-IBGZPJMESA-N 0 0 374.396 3.762 50 30 FHEARN COc1ccc(NC(=O)CSc2nc3c(cc2C#N)CCCCC3)cc1 ZINC000000851168 219330778 /nfs/dbraw/zinc/33/07/78/219330778.db2.gz GMFYLSKMMWFGIO-UHFFFAOYSA-N 0 0 367.474 3.962 50 30 FHEARN C=CCc1cccc2cc(C(=O)Nc3ccc(NC(C)=O)cc3)c(=O)oc21 ZINC000000851114 219331334 /nfs/dbraw/zinc/33/13/34/219331334.db2.gz UTQRUSFVTZGCMV-UHFFFAOYSA-N 0 0 362.385 3.732 50 30 FHEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1 ZINC000000888401 219336968 /nfs/dbraw/zinc/33/69/68/219336968.db2.gz FDMKZTPGIWOGHT-UHFFFAOYSA-N 0 0 356.407 3.518 50 30 FHEARN C=CCn1c(SCC(C)=O)nc2scc(-c3ccc(C)o3)c2c1=O ZINC000000952466 219346528 /nfs/dbraw/zinc/34/65/28/219346528.db2.gz DRPPPZKGJLSPLZ-UHFFFAOYSA-N 0 0 360.460 3.894 50 30 FHEARN CN(C)/C=C/C(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F ZINC000001024267 219354276 /nfs/dbraw/zinc/35/42/76/219354276.db2.gz YGJGPJFIGKYZSM-AATRIKPKSA-N 0 0 371.277 3.827 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(N(C)C)cc1Cl ZINC000001030505 219355089 /nfs/dbraw/zinc/35/50/89/219355089.db2.gz ZLMTWRJOANFGAK-GOSISDBHSA-N 0 0 374.868 3.547 50 30 FHEARN O=C1c2ccccc2C(=O)N1/N=C/c1ccc(OCc2ccccc2)cc1 ZINC000001013748 219352921 /nfs/dbraw/zinc/35/29/21/219352921.db2.gz RRJDTXQGNZURLQ-OEAKJJBVSA-N 0 0 356.381 3.896 50 30 FHEARN CCc1c(C)sc(NC(=O)c2cc(OC)c(OC)cc2OC)c1C#N ZINC000001054767 219359572 /nfs/dbraw/zinc/35/95/72/219359572.db2.gz FHSDFGMZCBLKLH-UHFFFAOYSA-N 0 0 360.435 3.769 50 30 FHEARN CCOc1cc(C#N)c(NC(=O)COc2ccc(C)c(C)c2)cc1OCC ZINC000001075568 219365750 /nfs/dbraw/zinc/36/57/50/219365750.db2.gz VDUHOJZNIPIZGD-UHFFFAOYSA-N 0 0 368.433 3.990 50 30 FHEARN CC(=O)Nc1cccc(-c2nnc(SCc3ccccc3C#N)n2C)c1 ZINC000001144647 219380162 /nfs/dbraw/zinc/38/01/62/219380162.db2.gz BNFWEXQDMAKADE-UHFFFAOYSA-N 0 0 363.446 3.604 50 30 FHEARN C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C1=O ZINC000001148253 219381475 /nfs/dbraw/zinc/38/14/75/219381475.db2.gz JKQAJAWVTJXGQR-LICLKQGHSA-N 0 0 354.406 3.903 50 30 FHEARN Cc1ccccc1-c1nc2ccccc2c(=O)n1/N=C/c1ccc(O)cc1 ZINC000001187386 219387652 /nfs/dbraw/zinc/38/76/52/219387652.db2.gz PBWXQAVUALPKDK-OEAKJJBVSA-N 0 0 355.397 3.960 50 30 FHEARN O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc(OC(F)(F)F)cc1)OCO2 ZINC000001231129 219391683 /nfs/dbraw/zinc/39/16/83/219391683.db2.gz WWODQCLWPHRASC-FBCYGCLPSA-N 0 0 354.240 3.973 50 30 FHEARN NS(=O)(=O)c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1 ZINC000001227825 219392018 /nfs/dbraw/zinc/39/20/18/219392018.db2.gz RYYKDXCWLZFTCU-HYARGMPZSA-N 0 0 366.442 3.664 50 30 FHEARN COc1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)c1OC ZINC000001302385 219393830 /nfs/dbraw/zinc/39/38/30/219393830.db2.gz DMUWFAAHBNHWFJ-VXLYETTFSA-N 0 0 374.853 3.787 50 30 FHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)COc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000001959803 219423365 /nfs/dbraw/zinc/42/33/65/219423365.db2.gz ODSOPTGWEBTDFB-LLVKDONJSA-N 0 0 371.418 3.670 50 30 FHEARN C=CCN(CC=C)C(=S)NC(=O)C(c1ccccc1)c1ccccc1 ZINC000002136573 219428622 /nfs/dbraw/zinc/42/86/22/219428622.db2.gz XNDVDOXKTRQCOY-UHFFFAOYSA-N 0 0 350.487 3.894 50 30 FHEARN Cc1ccc(/C=N/N=C2/SCC(=O)N2Cc2ccc(F)cc2)c(C)c1 ZINC000002233875 219432991 /nfs/dbraw/zinc/43/29/91/219432991.db2.gz HANCFBNCQGTTLO-UIEFACPBSA-N 0 0 355.438 3.908 50 30 FHEARN O=C1CS/C(=N/N=C/c2ccc(Cl)cc2)N1Cc1ccc(F)cc1 ZINC000002322518 219438745 /nfs/dbraw/zinc/43/87/45/219438745.db2.gz PAOBMYBBFSRMFV-ZPOBTFBFSA-N 0 0 361.829 3.945 50 30 FHEARN CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(CC)cc1)C2=O ZINC000002433311 219444372 /nfs/dbraw/zinc/44/43/72/219444372.db2.gz WDKZKIHDZZIXQZ-ODLFYWEKSA-N 0 0 352.386 3.807 50 30 biogenic FHEARN CC(=O)n1nc(C(F)(F)C(F)(F)C(F)(F)F)c(Br)c1C ZINC000002526330 219448728 /nfs/dbraw/zinc/44/87/28/219448728.db2.gz QOFOCRYYXCZUDF-UHFFFAOYSA-N 0 0 371.050 3.904 50 30 FHEARN COc1ccc(CNc2cc(-c3ccc(OC)cc3)oc(=O)c2C#N)cc1 ZINC000226759734 222886871 /nfs/dbraw/zinc/88/68/71/222886871.db2.gz SSXAWWNPCVXTGC-UHFFFAOYSA-N 0 0 362.385 3.808 50 30 FHEARN Cn1nc(C(F)(F)F)cc1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000002743739 219461685 /nfs/dbraw/zinc/46/16/85/219461685.db2.gz KQDSYXGWCLHBKR-UHFFFAOYSA-N 0 0 354.357 3.503 50 30 FHEARN COc1cccc([C@@H]2CCCN2C(=O)c2ccc(C#CC(C)(C)O)cc2)c1 ZINC000244718870 222931110 /nfs/dbraw/zinc/93/11/10/222931110.db2.gz LSOKBGSNESTGKC-NRFANRHFSA-N 0 0 363.457 3.795 50 30 FHEARN N#Cc1cccc(NC(=O)COC(=O)CCSc2ccccc2Cl)c1 ZINC000003337081 219501436 /nfs/dbraw/zinc/50/14/36/219501436.db2.gz AGMYESLQFJAGRQ-UHFFFAOYSA-N 0 0 374.849 3.876 50 30 FHEARN C/C(=N\N=C1\NC(=O)[C@@H](Cc2ccccc2C)S1)c1ccc(F)cc1 ZINC000004159979 219549702 /nfs/dbraw/zinc/54/97/02/219549702.db2.gz ONIVPHNPHLIJKT-NEIHUHTASA-N 0 0 355.438 3.688 50 30 FHEARN C=CCn1cnc2c(c3nc4ccccc4nc3n2Cc2ccccc2)c1=O ZINC000004328621 219567086 /nfs/dbraw/zinc/56/70/86/219567086.db2.gz OZJNKDSTJLXAQD-UHFFFAOYSA-N 0 0 367.412 3.529 50 30 FHEARN C/N=C1/S/C(=C/c2ccc(OC)c(OC)c2)C(=O)N1C1CCCCC1 ZINC000004577405 219587964 /nfs/dbraw/zinc/58/79/64/219587964.db2.gz SSRCVMJJMNARSB-KFBYJWCXSA-N 0 0 360.479 3.939 50 30 FHEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])n1 ZINC000004709186 219599407 /nfs/dbraw/zinc/59/94/07/219599407.db2.gz NBSMHPCGYXFMHT-UHFFFAOYSA-N 0 0 356.407 3.518 50 30 FHEARN C=CCn1c(C)nnc1S[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000004936511 219626896 /nfs/dbraw/zinc/62/68/96/219626896.db2.gz NLTBZZBNOLEKQJ-JTQLQIEISA-N 0 0 361.496 3.541 50 30 FHEARN Cc1ccc(C)c([C@@H]2C3C(=O)CCCC3=Nc3nc(C(F)(F)F)nn32)c1 ZINC000005244200 219663886 /nfs/dbraw/zinc/66/38/86/219663886.db2.gz PJOBYKGQRBCXOA-OAHLLOKOSA-N 0 0 362.355 3.936 50 30 FHEARN Cc1nc2c3c(ncn2n1)OC1=C(C(=O)CC(C)(C)C1)[C@H]3c1ccc(C)cc1 ZINC000005345395 219672631 /nfs/dbraw/zinc/67/26/31/219672631.db2.gz QUEYDGFCGDVCKR-QGZVFWFLSA-N 0 0 374.444 3.909 50 30 FHEARN O=[N+]([O-])c1ccc(NN=Cc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000005715296 219695883 /nfs/dbraw/zinc/69/58/83/219695883.db2.gz ZBUIKVBDLHONDV-CAOOACKPSA-N 0 0 352.253 3.550 50 30 FHEARN CCN(CC)C(=O)COc1ccc(C(=O)/C=C/c2cccc(O)c2)cc1 ZINC000006084394 219713211 /nfs/dbraw/zinc/71/32/11/219713211.db2.gz QYIUQJJLSCGBBN-MDWZMJQESA-N 0 0 353.418 3.536 50 30 FHEARN COc1cc(/C=C/c2nc(C#N)c(NCC(C)C)o2)cc(OC)c1OC ZINC000006883678 219779573 /nfs/dbraw/zinc/77/95/73/219779573.db2.gz WKAGACSYJLSOFK-VOTSOKGWSA-N 0 0 357.410 3.810 50 30 FHEARN CCOC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@@H]1c1ccc(C#N)cc1 ZINC000008395812 219861869 /nfs/dbraw/zinc/86/18/69/219861869.db2.gz XPJUTVYCCXAJKL-GOSISDBHSA-N 0 0 355.438 3.508 50 30 FHEARN COc1cc(C2=N/C(=C\c3ccc(C#N)cc3)C(=O)O2)ccc1OC(F)F ZINC000008749655 219868964 /nfs/dbraw/zinc/86/89/64/219868964.db2.gz YDDAWKCLZYEDRT-ZSOIEALJSA-N 0 0 370.311 3.513 50 30 FHEARN Cc1c(C)n(-c2ccc(F)cc2)c(NC(=O)CN2CCCC[C@@H]2C)c1C#N ZINC000012527949 220002468 /nfs/dbraw/zinc/00/24/68/220002468.db2.gz OPUSPRVAFINKQH-AWEZNQCLSA-N 0 0 368.456 3.918 50 30 FHEARN COc1ccc(NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)cc1 ZINC000012523971 220002735 /nfs/dbraw/zinc/00/27/35/220002735.db2.gz MOIYVGMFBPFAQV-UHFFFAOYSA-N 0 0 366.442 3.943 50 30 FHEARN C[C@@H](Sc1nc2ccccc2n1CCC#N)C(=O)N1CCCCCC1 ZINC000012538883 220005248 /nfs/dbraw/zinc/00/52/48/220005248.db2.gz OOMINCFODJLFCB-OAHLLOKOSA-N 0 0 356.495 3.833 50 30 FHEARN C=CCOc1cccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)c1 ZINC000012556419 220007319 /nfs/dbraw/zinc/00/73/19/220007319.db2.gz YCVCCDDQHITMKB-GHTZIAJQSA-N 0 0 364.445 3.997 50 30 FHEARN CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1ccccc1C#N)O[C@@H](C)C2 ZINC000012564480 220007923 /nfs/dbraw/zinc/00/79/23/220007923.db2.gz TYPJKPDEERSABD-KBPBESRZSA-N 0 0 365.433 3.719 50 30 FHEARN CC#CC(=O)N1CCc2c3ccccc3[nH]c2[C@H]1c1ccc(F)c(OC)c1 ZINC000012585093 220009435 /nfs/dbraw/zinc/00/94/35/220009435.db2.gz GTARDMCETJAIJK-JOCHJYFZSA-N 0 0 362.404 3.813 50 30 FHEARN C=CCc1ccc(OC[C@H](O)Cn2c(C)nc3ccccc32)c(OC)c1 ZINC000012603581 220012808 /nfs/dbraw/zinc/01/28/08/220012808.db2.gz DTPKBGCAUZKDNS-QGZVFWFLSA-N 0 0 352.434 3.522 50 30 FHEARN C=CCOc1cccc(C(=O)N2CCC[C@@H](CCC(=O)N3CCCC3)C2)c1 ZINC000012701838 220017938 /nfs/dbraw/zinc/01/79/38/220017938.db2.gz FPAJCNRYYYUGGX-SFHVURJKSA-N 0 0 370.493 3.506 50 30 FHEARN N#CCc1ccc(NC(=O)Cc2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000012796822 220031643 /nfs/dbraw/zinc/03/16/43/220031643.db2.gz QMDWFBDRHMRUPE-UHFFFAOYSA-N 0 0 356.809 3.749 50 30 FHEARN N#Cc1ccc(-c2csc(NC(=O)[C@H]3COc4ccccc4C3)n2)cc1 ZINC000012813910 220032904 /nfs/dbraw/zinc/03/29/04/220032904.db2.gz ODIQLCGRHCSYJQ-MRXNPFEDSA-N 0 0 361.426 3.872 50 30 FHEARN CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ncccc1C#N ZINC000012816616 220033978 /nfs/dbraw/zinc/03/39/78/220033978.db2.gz NDGYHEJLRAWVCS-UHFFFAOYSA-N 0 0 368.746 3.700 50 30 FHEARN COc1cccc(/C=C2\Oc3cc(OC(=O)C(C)C)ccc3C2=O)c1OC ZINC000012858267 220036535 /nfs/dbraw/zinc/03/65/35/220036535.db2.gz BBNJKZHCZOOPMJ-ZDLGFXPLSA-N 0 0 368.385 3.881 50 30 FHEARN C[C@H](c1ccc(F)cc1)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000012898421 220040234 /nfs/dbraw/zinc/04/02/34/220040234.db2.gz OZAFSOLWGPAMLX-CQSZACIVSA-N 0 0 366.396 3.829 50 30 FHEARN C=CCn1c(Cc2csc(NC(=O)CCCCC)n2)n[nH]c1=S ZINC000012920289 220043094 /nfs/dbraw/zinc/04/30/94/220043094.db2.gz IBXCLFKOJDLJAN-UHFFFAOYSA-N 0 0 351.501 3.693 50 30 FHEARN CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000012922089 220043348 /nfs/dbraw/zinc/04/33/48/220043348.db2.gz NFLUXGBUBGVOJF-AWEZNQCLSA-N 0 0 352.390 3.529 50 30 FHEARN N#Cc1ccc(OCCOC(=O)c2ccc(COc3ccccc3)o2)cc1 ZINC000012967417 220046415 /nfs/dbraw/zinc/04/64/15/220046415.db2.gz QDJBFLLECGZWKI-UHFFFAOYSA-N 0 0 363.369 3.966 50 30 FHEARN CCOc1cc2c(cc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1)O[C@H](C)C2 ZINC000012994021 220050527 /nfs/dbraw/zinc/05/05/27/220050527.db2.gz VNIQQDNXWWXDLD-KGLIPLIRSA-N 0 0 366.417 3.686 50 30 FHEARN COc1cc(/C=C2/CC/C(=C/c3ccc(O)c(OC)c3)C2=O)ccc1O ZINC000013119472 220058915 /nfs/dbraw/zinc/05/89/15/220058915.db2.gz NZSRSKNDCCSSGY-VULZFCBJSA-N 0 0 352.386 3.945 50 30 FHEARN CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)cc1)C1=C(CCCC1=O)N2 ZINC000013139670 220059570 /nfs/dbraw/zinc/05/95/70/220059570.db2.gz RCXLVYBBCZDNSA-OAHLLOKOSA-N 0 0 367.474 3.755 50 30 FHEARN Cn1c2ccc(Br)cc2s/c1=N/C(=O)c1ccc(C#N)cc1 ZINC000013208429 220061288 /nfs/dbraw/zinc/06/12/88/220061288.db2.gz UGODTGUXZSFALR-KNTRCKAVSA-N 0 0 372.247 3.615 50 30 FHEARN C[S@@](=O)(=NC(=O)c1cncc(C#Cc2ccccc2)c1)c1ccccc1 ZINC000013466470 220068439 /nfs/dbraw/zinc/06/84/39/220068439.db2.gz XRDLIWOJXHQZSS-SANMLTNESA-N 0 0 360.438 3.779 50 30 FHEARN COc1cc(OC)c(OC)cc1/C=C1/S/C(=N\c2ccccc2)NC1=O ZINC000013476979 220070034 /nfs/dbraw/zinc/07/00/34/220070034.db2.gz IKMRECZPMXQYPI-LICLKQGHSA-N 0 0 370.430 3.604 50 30 FHEARN COC(=O)/C=C1\SC(N2CCCCC2)=C(c2ccc(Cl)cc2)C1=O ZINC000013517505 220070604 /nfs/dbraw/zinc/07/06/04/220070604.db2.gz OCHAAUXCMUGEOG-KAMYIIQDSA-N 0 0 363.866 3.867 50 30 FHEARN Cc1ccccc1NC(=S)N/N=C1\CC(C)(C)Oc2ccc(O)cc21 ZINC000013520711 220070726 /nfs/dbraw/zinc/07/07/26/220070726.db2.gz XGQADHJSGQXEAR-LTGZKZEYSA-N 0 0 355.463 3.952 50 30 FHEARN COc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)cc(Cl)c1O ZINC000013549743 220074005 /nfs/dbraw/zinc/07/40/05/220074005.db2.gz KYHLHALXRRGNDS-ZROIWOOFSA-N 0 0 360.822 3.946 50 30 FHEARN Cc1ccc(/C=C2\Oc3c(ccc4c3CN(C[C@@H]3CCCO3)CO4)C2=O)o1 ZINC000013693337 220086771 /nfs/dbraw/zinc/08/67/71/220086771.db2.gz SBNGXPMHXXRXBN-VRKJEAOJSA-N 0 0 367.401 3.535 50 30 FHEARN Cc1csc(C2=C(N)N(c3ccc(Oc4ccccc4)cc3)CC2=O)n1 ZINC000013730570 220090924 /nfs/dbraw/zinc/09/09/24/220090924.db2.gz IANSMQRIXHUOMW-UHFFFAOYSA-N 0 0 363.442 3.960 50 30 FHEARN Cc1cc(C)nc(N=NCC2C(=O)CC(c3ccc(F)cc3)CC2=O)n1 ZINC000013841705 220096522 /nfs/dbraw/zinc/09/65/22/220096522.db2.gz UWJSHNXLMLDXFZ-LKEIMFIWSA-N 0 0 354.385 3.589 50 30 FHEARN N#Cc1ccc(CSc2nc3ncccc3c(=O)n2-c2ccccc2)cc1 ZINC000014139096 220109969 /nfs/dbraw/zinc/10/99/69/220109969.db2.gz QZTPLHXYXXLBAM-UHFFFAOYSA-N 0 0 370.437 3.945 50 30 FHEARN N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000014157673 220111171 /nfs/dbraw/zinc/11/11/71/220111171.db2.gz LFODUGWPIAKYDC-GOSISDBHSA-N 0 0 357.816 3.502 50 30 FHEARN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Br)s1 ZINC000014163768 220112758 /nfs/dbraw/zinc/11/27/58/220112758.db2.gz JKLALTFWVWWTSA-UHFFFAOYSA-N 0 0 358.282 3.892 50 30 FHEARN N#Cc1ccccc1/C=C/C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC000014187952 220114565 /nfs/dbraw/zinc/11/45/65/220114565.db2.gz FUYXQOPYKXXKMV-RQMBKDMJSA-N 0 0 360.413 3.706 50 30 FHEARN N#Cc1ccc(CN(c2ccccc2)S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000014199576 220115879 /nfs/dbraw/zinc/11/58/79/220115879.db2.gz MLFBZEMLHBRHGZ-UHFFFAOYSA-N 0 0 373.437 3.825 50 30 FHEARN N#Cc1c(Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)cn2ccccc12 ZINC000014902338 220134934 /nfs/dbraw/zinc/13/49/34/220134934.db2.gz CKFVLSPVCWYKEO-UHFFFAOYSA-N 0 0 368.322 3.532 50 30 FHEARN COc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3)NC2=O)cc1O ZINC000015015812 220141635 /nfs/dbraw/zinc/14/16/35/220141635.db2.gz VZKFIEIQQKDDNW-NVNXTCNLSA-N 0 0 360.822 3.946 50 30 FHEARN C=CCn1c(CN(C)CC2CCCCC2)nnc1SC[C@@H]1CCCO1 ZINC000015066986 220144291 /nfs/dbraw/zinc/14/42/91/220144291.db2.gz HMLBSAZPNALFHW-KRWDZBQOSA-N 0 0 364.559 3.747 50 30 FHEARN N#Cc1ccc(OS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1 ZINC000015335645 220152613 /nfs/dbraw/zinc/15/26/13/220152613.db2.gz VZJINEDZFDVCJT-UHFFFAOYSA-N 0 0 361.728 3.998 50 30 FHEARN N#Cc1ccc(NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCCC2)cc1 ZINC000015512100 220154906 /nfs/dbraw/zinc/15/49/06/220154906.db2.gz SAAHONTVTLCYKF-UHFFFAOYSA-N 0 0 372.428 3.637 50 30 FHEARN N#Cc1c2c(sc1NC(=O)COCc1cc(-c3ccco3)on1)CCC2 ZINC000015679230 220160493 /nfs/dbraw/zinc/16/04/93/220160493.db2.gz NDQJZTHORUAGFI-UHFFFAOYSA-N 0 0 369.402 3.512 50 30 FHEARN C=CCSc1nn(C)c2nc3c(c(=O)n12)[C@](C)(CC)Cc1ccccc1-3 ZINC000015839267 220168207 /nfs/dbraw/zinc/16/82/07/220168207.db2.gz CHPPHSSVXAMKCT-HXUWFJFHSA-N 0 0 366.490 3.597 50 30 FHEARN C=C(C)CSc1nn(C)c2nc3c(c(=O)n12)C(C)(C)Cc1ccccc1-3 ZINC000015839271 220167611 /nfs/dbraw/zinc/16/76/11/220167611.db2.gz ADDALLKYUZHIKS-UHFFFAOYSA-N 0 0 366.490 3.597 50 30 FHEARN CCC(=O)Nc1nc2cc(NC(=O)c3ccc(C#N)cc3)ccc2s1 ZINC000015863751 220169980 /nfs/dbraw/zinc/16/99/80/220169980.db2.gz KPUSJTSLZJECSI-UHFFFAOYSA-N 0 0 350.403 3.769 50 30 FHEARN C=CCOC(=O)/C(=C\c1ccc(OC)cc1)NC(=O)c1ccccc1Cl ZINC000016115238 220179181 /nfs/dbraw/zinc/17/91/81/220179181.db2.gz RWKLFLMUSNLPSB-QGOAFFKASA-N 0 0 371.820 3.849 50 30 FHEARN O=S(=O)(/N=C(\c1ccccc1)N1CCCCCC1)c1ccc(F)cc1 ZINC000016474485 220185410 /nfs/dbraw/zinc/18/54/10/220185410.db2.gz VAYSXLBZEDACPZ-XUTLUUPISA-N 0 0 360.454 3.837 50 30 FHEARN O=C(C1=C(O)C(=O)N(c2cccnc2)[C@@H]1c1ccc(O)cc1)c1ccccc1 ZINC000018063095 220221147 /nfs/dbraw/zinc/22/11/47/220221147.db2.gz LEAQTHKJEHODOF-LJQANCHMSA-N 0 0 372.380 3.570 50 30 FHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000018006518 220222392 /nfs/dbraw/zinc/22/23/92/220222392.db2.gz YJTJRWGYGPOAHZ-LJQANCHMSA-N 0 0 362.429 3.517 50 30 FHEARN C#CCOc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1 ZINC000018272418 220230313 /nfs/dbraw/zinc/23/03/13/220230313.db2.gz UIIHVVYGKPUXLF-SFQUDFHCSA-N 0 0 352.390 3.729 50 30 FHEARN CC(C)c1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3ccccc3)S2)cc1 ZINC000018209221 220228198 /nfs/dbraw/zinc/22/81/98/220228198.db2.gz FZGRQACXVCDGLO-KOMLCTQHSA-N 0 0 351.475 3.974 50 30 FHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(F)c1 ZINC000019138338 220237070 /nfs/dbraw/zinc/23/70/70/220237070.db2.gz UGLDUBMLYUPQIV-GOSISDBHSA-N 0 0 351.377 3.898 50 30 FHEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1[N+](=O)[O-] ZINC000019638827 220281116 /nfs/dbraw/zinc/28/11/16/220281116.db2.gz OHPHPQGVFJPTGQ-KRWDZBQOSA-N 0 0 370.405 3.516 50 30 FHEARN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccncc2)C2=C(CCCC2=O)N1 ZINC000019790805 220296066 /nfs/dbraw/zinc/29/60/66/220296066.db2.gz OCZZQEAKCBNXFM-HXUWFJFHSA-N 0 0 366.461 3.925 50 30 FHEARN COc1cccc(-c2cc(-c3ccc(OC)c(OC)c3)nc(N)c2C#N)c1 ZINC000019879659 220304250 /nfs/dbraw/zinc/30/42/50/220304250.db2.gz YHGHWPSZEAETOX-UHFFFAOYSA-N 0 0 361.401 3.895 50 30 FHEARN COc1c2c(cc3c1[C@@H](CC(=O)/C=C/c1ccccc1)N(C)CC3)OCO2 ZINC000020111762 220312101 /nfs/dbraw/zinc/31/21/01/220312101.db2.gz NFSAUYZGLBVYMW-GFOMBABLSA-N 0 0 365.429 3.626 50 30 FHEARN C[NH+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Br)cc1)O2 ZINC000020533356 220331910 /nfs/dbraw/zinc/33/19/10/220331910.db2.gz KAJKZBLKVVOJQQ-SXGWCWSVSA-N 0 0 374.234 3.833 50 30 FHEARN C=CCn1c(=N)n(CC(=O)c2ccc(Br)cc2)c2ccccc21 ZINC000020806300 220341407 /nfs/dbraw/zinc/34/14/07/220341407.db2.gz IBJMSIFERLNANW-UHFFFAOYSA-N 0 0 370.250 3.754 50 30 FHEARN COc1ccc(Cn2c(Nc3cccc(C#N)c3)c3[nH]cccc-3c2=O)cc1 ZINC000021106997 220351895 /nfs/dbraw/zinc/35/18/95/220351895.db2.gz HPICZABXXRSMSU-NRFANRHFSA-N 0 0 370.412 3.729 50 30 FHEARN COc1ccc(Cn2c(Nc3ccc(C#N)cc3)c3[nH]cccc-3c2=O)cc1 ZINC000021107137 220352410 /nfs/dbraw/zinc/35/24/10/220352410.db2.gz VZTAFJSJTCLBFB-NRFANRHFSA-N 0 0 370.412 3.729 50 30 FHEARN C=CCc1ccc(OC[C@H](O)Cn2cnc3cc(C)c(C)cc32)c(OC)c1 ZINC000021559671 220360658 /nfs/dbraw/zinc/36/06/58/220360658.db2.gz OZTNFDXKQPJUST-GOSISDBHSA-N 0 0 366.461 3.830 50 30 FHEARN C#Cc1cccc(NC(=O)CCn2c(-c3ccc(C)cc3)n[nH]c2=S)c1 ZINC000022408977 220385705 /nfs/dbraw/zinc/38/57/05/220385705.db2.gz GADJEBABMVIORE-UHFFFAOYSA-N 0 0 362.458 3.926 50 30 FHEARN C/C(=N/N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000022107508 220376443 /nfs/dbraw/zinc/37/64/43/220376443.db2.gz QNFHCWXWQLNHQX-QNGOZBTKSA-N 0 0 372.856 3.790 50 30 FHEARN Cc1c(C(=O)Nc2ccc(OCC#N)cc2)cnn1-c1ccc(Cl)cc1 ZINC000022516994 220388715 /nfs/dbraw/zinc/38/87/15/220388715.db2.gz ANNMPRCMUMUANJ-UHFFFAOYSA-N 0 0 366.808 3.989 50 30 FHEARN Cc1sc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)c(C#N)c1C ZINC000024361681 220446869 /nfs/dbraw/zinc/44/68/69/220446869.db2.gz ZKZKJWBEMXCFDH-AWEZNQCLSA-N 0 0 353.447 3.766 50 30 FHEARN COc1ccc(Nc2nc(C#N)c(C#N)nc2Nc2ccc(OC)cc2)cc1 ZINC000024840013 220463791 /nfs/dbraw/zinc/46/37/91/220463791.db2.gz FTVAAUHHHXMKPY-UHFFFAOYSA-N 0 0 372.388 3.724 50 30 FHEARN N#Cc1cc(C#N)c(SCc2cc3ccccc3nc2Cl)nc1N ZINC000025637421 220495090 /nfs/dbraw/zinc/49/50/90/220495090.db2.gz CTPZFCFEHXUDCB-UHFFFAOYSA-N 0 0 351.822 3.901 50 30 FHEARN N#Cc1ccc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000028664252 220582270 /nfs/dbraw/zinc/58/22/70/220582270.db2.gz UEHZURLHCXXQFG-UHFFFAOYSA-N 0 0 373.378 3.535 50 30 FHEARN C=CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC000040069593 220875615 /nfs/dbraw/zinc/87/56/15/220875615.db2.gz QJWNXQHRMKLHSN-UHFFFAOYSA-N 0 0 367.373 3.500 50 30 FHEARN Cc1cccc2nc(C(=O)Nc3ccc(OCC(F)(F)F)c(C#N)c3)cn21 ZINC000046933689 220987635 /nfs/dbraw/zinc/98/76/35/220987635.db2.gz CUDOMCSDNYOHPJ-UHFFFAOYSA-N 0 0 374.322 3.708 50 30 FHEARN CN(C)/C=C/c1oc2ccc(Oc3ncccc3C#N)cc2c1[N+](=O)[O-] ZINC000049581336 221025615 /nfs/dbraw/zinc/02/56/15/221025615.db2.gz NSNYXHAAJNJHEF-VQHVLOKHSA-N 0 0 350.334 3.932 50 30 FHEARN COc1ccc(CN2C(=O)[C@H](C)S/C2=N\N=C\c2cccs2)cc1 ZINC000051366805 221035986 /nfs/dbraw/zinc/03/59/86/221035986.db2.gz VMIZEFCDDTUMCL-YVXZMFEASA-N 0 0 359.476 3.611 50 30 FHEARN CCN(C(=O)NCc1ccc(OC)c(OC)c1)[C@@H](C)c1ccc(C#N)cc1 ZINC000053733961 221048579 /nfs/dbraw/zinc/04/85/79/221048579.db2.gz UENPXYSCJYKOJQ-HNNXBMFYSA-N 0 0 367.449 3.868 50 30 FHEARN CC(C)CCO[C@H](C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000058130910 221098132 /nfs/dbraw/zinc/09/81/32/221098132.db2.gz PDWLMUSJUARUFS-GFCCVEGCSA-N 0 0 358.360 3.889 50 30 FHEARN CC(C)CCO[C@@H](C)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000058130905 221098791 /nfs/dbraw/zinc/09/87/91/221098791.db2.gz PDWLMUSJUARUFS-LBPRGKRZSA-N 0 0 358.360 3.889 50 30 FHEARN Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1cccc(C#N)c1 ZINC000058226624 221110241 /nfs/dbraw/zinc/11/02/41/221110241.db2.gz MJSTYDAPDVMRKE-UHFFFAOYSA-N 0 0 352.344 3.642 50 30 FHEARN CC[C@@H](C)N(CC#Cc1ccccc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000063848942 221144188 /nfs/dbraw/zinc/14/41/88/221144188.db2.gz YBGLBNSGBQJUNZ-GOSISDBHSA-N 0 0 355.503 3.742 50 30 FHEARN CCc1cc(C(=O)Nc2cccc(C#N)c2)nc2cc(-c3ccco3)nn21 ZINC000064760345 221151794 /nfs/dbraw/zinc/15/17/94/221151794.db2.gz WJNVXJJROUKEJA-UHFFFAOYSA-N 0 0 357.373 3.676 50 30 FHEARN C=C(C)COc1c(OC)cccc1[C@@H]1CC(=O)Nc2cc3c(cc21)OCO3 ZINC000065382627 221207198 /nfs/dbraw/zinc/20/71/98/221207198.db2.gz OWMGEWWOGVPFLM-AWEZNQCLSA-N 0 0 367.401 3.853 50 30 FHEARN OCC#Cc1ccc(-c2c(-c3ccccc3)ncn2C[C@H]2CCCO2)cc1 ZINC000065430659 221218591 /nfs/dbraw/zinc/21/85/91/221218591.db2.gz FHKHGCLPGKDBPJ-OAQYLSRUSA-N 0 0 358.441 3.740 50 30 FHEARN Cc1noc(C)c1-c1cc(-c2ccc(-n3ccnc3)cc2)nc(N)c1C#N ZINC000067655130 221266579 /nfs/dbraw/zinc/26/65/79/221266579.db2.gz BKXSZALHGSXGCG-UHFFFAOYSA-N 0 0 356.389 3.660 50 30 FHEARN CC(C)Nc1ncc(-c2cc(-c3ccc(F)c(F)c3)nc(N)c2C#N)cn1 ZINC000067740158 221279346 /nfs/dbraw/zinc/27/93/46/221279346.db2.gz KXNDITHVKVEZOV-UHFFFAOYSA-N 0 0 366.375 3.758 50 30 FHEARN COc1cc(-c2cc(-c3ccsc3)c(C#N)c(N)n2)cc(OC)c1OC ZINC000067833369 221290926 /nfs/dbraw/zinc/29/09/26/221290926.db2.gz KNGOOYNBQHNCNA-UHFFFAOYSA-N 0 0 367.430 3.957 50 30 FHEARN CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000070691771 221333932 /nfs/dbraw/zinc/33/39/32/221333932.db2.gz HLNIWPZRSHCGQQ-UHFFFAOYSA-N 0 0 370.434 3.725 50 30 FHEARN Cc1cccc(-n2cc(-c3cc(-c4cccnc4)c(C#N)c(N)n3)cn2)c1 ZINC000071754533 221365784 /nfs/dbraw/zinc/36/57/84/221365784.db2.gz UUMTVAJSQMTPRR-UHFFFAOYSA-N 0 0 352.401 3.759 50 30 FHEARN COc1ccc2ncc(S(=O)(=O)c3ccc(C#N)cc3)c(Cl)c2c1 ZINC000263616982 533354553 /nfs/dbraw/zinc/35/45/53/533354553.db2.gz LLTKORBSLKCMPQ-UHFFFAOYSA-N 0 0 358.806 3.601 50 30 FHEARN C=CCNC(=O)c1ccc(N2CCCN(Cc3ccccc3C)C2=O)cc1 ZINC000064687776 132305085 /nfs/dbraw/zinc/30/50/85/132305085.db2.gz MEOJBKUAXYPHHM-UHFFFAOYSA-N 0 0 363.461 3.743 50 30 FHEARN C=C(C)CN1CCN(c2ncnc3c2sc2nc(C)cc(C)c23)CC1 ZINC000006759717 132371525 /nfs/dbraw/zinc/37/15/25/132371525.db2.gz KWTUMNBOQRNXRY-UHFFFAOYSA-N 0 0 353.495 3.554 50 30 FHEARN Cc1cn2c(/C=C\C(=O)c3ccc(N4CCOCC4)cc3)c(C)nc2s1 ZINC000096401385 132377800 /nfs/dbraw/zinc/37/78/00/132377800.db2.gz XGCHCQMCZKHDMT-FPLPWBNLSA-N 0 0 367.474 3.745 50 30 FHEARN O=C1c2ccccc2OC/C1=C/c1cc2ccccc2nc1N1CCOCC1 ZINC000096767424 132377871 /nfs/dbraw/zinc/37/78/71/132377871.db2.gz QXXWYYGYACMFRN-JXAWBTAJSA-N 0 0 372.424 3.730 50 30 FHEARN N#Cc1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)[C@H]1CCCN21 ZINC000001386620 132381723 /nfs/dbraw/zinc/38/17/23/132381723.db2.gz ZSXQPTYRVJDHED-QGZVFWFLSA-N 0 0 355.800 3.866 50 30 FHEARN N#Cc1c(CN2CCN(c3ccccc3Cl)CC2)cn2ccccc12 ZINC000012990428 132865119 /nfs/dbraw/zinc/86/51/19/132865119.db2.gz AXFVRUGIMQKMEH-UHFFFAOYSA-N 0 0 350.853 3.787 50 30 FHEARN Cc1ccc(CN2CCN(C(=O)c3ccc(C#N)cc3)c3cccnc32)cc1 ZINC000064929695 136134145 /nfs/dbraw/zinc/13/41/45/136134145.db2.gz MWTIQVYCFLHAGZ-UHFFFAOYSA-N 0 0 368.440 3.929 50 30 FHEARN N#Cc1ccc(/C=C\C(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 ZINC000096130223 222035054 /nfs/dbraw/zinc/03/50/54/222035054.db2.gz MVMUSRGPXDEUSC-BENRWUELSA-N 0 0 360.461 3.663 50 30 FHEARN N#C[C@H]1CCC[C@H]1NC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000096004130 221988718 /nfs/dbraw/zinc/98/87/18/221988718.db2.gz WVKVGXUWSWGIPU-IAQYHMDHSA-N 0 0 363.343 3.705 50 30 FHEARN COc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3)NC2=O)cc1O ZINC000096505589 222122804 /nfs/dbraw/zinc/12/28/04/222122804.db2.gz VZKFIEIQQKDDNW-OVCLIPMQSA-N 0 0 360.822 3.946 50 30 FHEARN O=C1c2ccccc2S(=O)(=O)C/C1=C/c1cccc(Br)c1 ZINC000096792607 222130863 /nfs/dbraw/zinc/13/08/63/222130863.db2.gz SHWFMZGGLDEGQT-WQLSENKSSA-N 0 0 363.232 3.503 50 30 FHEARN COc1cc(OC)c(C(=O)/C=C\c2cnc3nc(C)cc(C)n23)cc1Cl ZINC000098056037 222224200 /nfs/dbraw/zinc/22/42/00/222224200.db2.gz UEEOHEHGGTVKBE-WAYWQWQTSA-N 0 0 371.824 3.913 50 30 FHEARN CCCC(=O)C1=C(Nc2ccc(OC)cc2)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000100319282 222241761 /nfs/dbraw/zinc/24/17/61/222241761.db2.gz DNFKBYCAPZYEPB-GOSISDBHSA-N 0 0 373.449 3.519 50 30 FHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(N(C)C)cc1 ZINC000100562455 222246602 /nfs/dbraw/zinc/24/66/02/222246602.db2.gz PWLMDOCRAWILST-FQEVSTJZSA-N 0 0 368.477 3.674 50 30 FHEARN O=C1CC(c2ccccc2)CC(=O)C1=CNCCc1c[nH]c2ccccc12 ZINC000100639439 222248428 /nfs/dbraw/zinc/24/84/28/222248428.db2.gz CHOUQNSTFGJCGU-UHFFFAOYSA-N 0 0 358.441 3.900 50 30 FHEARN CCOC(=O)c1c(NC=C2C(=O)c3ccccc3C2=O)sc2c1CCC2 ZINC000100772896 222253303 /nfs/dbraw/zinc/25/33/03/222253303.db2.gz STOZKJQGKXZSEP-UFFVCSGVSA-N 0 0 367.426 3.811 50 30 FHEARN COc1ccc([C@H]2CC(=O)C=C(NC3Cc4ccccc4C3)C2)cc1OC ZINC000101172513 222264842 /nfs/dbraw/zinc/26/48/42/222264842.db2.gz IPJANCPYCNQVBG-GOSISDBHSA-N 0 0 363.457 3.791 50 30 FHEARN CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccc(F)cc1 ZINC000102406202 222294511 /nfs/dbraw/zinc/29/45/11/222294511.db2.gz UEYXBXIFMOLEFL-QKDOTCOFSA-N 0 0 371.437 3.806 50 30 FHEARN C=CCOc1c(Cl)cc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](O)C3)cc1OCC ZINC000102676644 222303484 /nfs/dbraw/zinc/30/34/84/222303484.db2.gz MHHAXQXVYLAITM-ZSHCYNCHSA-N 0 0 351.874 3.791 50 30 FHEARN Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccco3)o2)cc1 ZINC000002619397 263325945 /nfs/dbraw/zinc/32/59/45/263325945.db2.gz DHUHMTWFVVILPY-UHFFFAOYSA-N 0 0 368.418 3.677 50 30 FHEARN N#CCCN(C(=O)CSc1ncnc2sccc21)c1ccc(F)cc1 ZINC000003542372 263330004 /nfs/dbraw/zinc/33/00/04/263330004.db2.gz MDXYGUUDVMHZJI-UHFFFAOYSA-N 0 0 372.450 3.869 50 30 FHEARN Cc1nc2n(n1)[C@@H](c1ccc(C)cc1)C1C(=O)C[C@H](c3ccco3)CC1=N2 ZINC000004502369 263333609 /nfs/dbraw/zinc/33/36/09/263333609.db2.gz YHRMIFSXFOSEOD-QRWLVFNGSA-N 0 0 360.417 3.904 50 30 FHEARN CC(C)Oc1ccc(CNC(=S)N/N=C/[C@@H]2CCOC(C)(C)C2)cc1 ZINC000005230895 263339385 /nfs/dbraw/zinc/33/93/85/263339385.db2.gz RGWAEESOBGSMSO-WMRWHDLOSA-N 0 0 363.527 3.629 50 30 FHEARN Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N2CCc3ccccc3C2)n1 ZINC000005642639 263342884 /nfs/dbraw/zinc/34/28/84/263342884.db2.gz KIFHUUQEWSOLHJ-OAHLLOKOSA-N 0 0 351.475 3.636 50 30 FHEARN C=CCN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1ccc(C#N)cc1 ZINC000007122419 263348877 /nfs/dbraw/zinc/34/88/77/263348877.db2.gz LJVHQYCDJCJGAU-UHFFFAOYSA-N 0 0 374.849 3.645 50 30 FHEARN C=CCN1C(=O)c2ccc(C(=O)N[C@H](c3cccs3)C(C)C)cc2C1=O ZINC000007120994 263349295 /nfs/dbraw/zinc/34/92/95/263349295.db2.gz UDCVPOVZISMOJN-KRWDZBQOSA-N 0 0 368.458 3.657 50 30 FHEARN C#CCn1cc(C=C2NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21 ZINC000009011793 263358066 /nfs/dbraw/zinc/35/80/66/263358066.db2.gz AQGDRDJVBOFVAW-UNOMPAQXSA-N 0 0 373.387 3.711 50 30 FHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1nc2c(s1)CCCC2 ZINC000011986172 263369539 /nfs/dbraw/zinc/36/95/39/263369539.db2.gz ZGPUZVSBMTVZHF-UHFFFAOYSA-N 0 0 352.419 3.838 50 30 FHEARN C=C(C)CN(CC)C(=O)c1cc(COc2ccc(Cl)cc2OC)on1 ZINC000012442769 263371062 /nfs/dbraw/zinc/37/10/62/263371062.db2.gz YCFRBWRONVWFEU-UHFFFAOYSA-N 0 0 364.829 3.954 50 30 FHEARN Cc1ccc([C@H]2C(C(=O)Nc3cccnc3)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000018195058 263373274 /nfs/dbraw/zinc/37/32/74/263373274.db2.gz ZAGZDRXGPOHPTF-NRFANRHFSA-N 0 0 373.456 3.997 50 30 FHEARN O=c1[nH][nH]c2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(CCCC1=O)N2 ZINC000018195479 263373426 /nfs/dbraw/zinc/37/34/26/263373426.db2.gz UZPSOJTUMLRZET-GFCCVEGCSA-N 0 0 350.205 3.987 50 30 FHEARN C=CCn1c(CNc2ccccc2)nnc1SCC(=O)OC1CCCC1 ZINC000020161277 263378948 /nfs/dbraw/zinc/37/89/48/263378948.db2.gz BQWFWPFATUZIQH-UHFFFAOYSA-N 0 0 372.494 3.654 50 30 FHEARN CCCCN(CC)C(=O)c1ccc(NN=C2c3ccccc3NC2=O)cc1 ZINC000022349815 263386213 /nfs/dbraw/zinc/38/62/13/263386213.db2.gz OFJLNNNWEFHZBB-UHFFFAOYSA-N 0 0 364.449 3.717 50 30 FHEARN COc1ccc(OC)c(C/N=C/c2cc(Br)ccc2O)c1 ZINC000044835638 263404382 /nfs/dbraw/zinc/40/43/82/263404382.db2.gz IZJMJWQQAQKPSO-GIJQJNRQSA-N 0 0 350.212 3.791 50 30 FHEARN Cc1nc([C@H]2CCCN(C(=O)c3cccc(-c4ccccc4C#N)c3)C2)no1 ZINC000426596498 263641571 /nfs/dbraw/zinc/64/15/71/263641571.db2.gz MZGLPOQYMMKCKC-IBGZPJMESA-N 0 0 372.428 3.937 50 30 FHEARN CC(C)CN(Cc1cnn(C)c1)C(=O)c1ccc(-c2ncccc2C#N)cc1 ZINC000426667337 263654817 /nfs/dbraw/zinc/65/48/17/263654817.db2.gz HZCNTDAYRQERDN-UHFFFAOYSA-N 0 0 373.460 3.652 50 30 FHEARN C#CCN(Cc1ccc(C)cc1)C(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1 ZINC000065579049 518258781 /nfs/dbraw/zinc/25/87/81/518258781.db2.gz RMHMRYFGQRDZAP-XNTDXEJSSA-N 0 0 372.468 3.562 50 30 FHEARN C#CCOc1ccc(C=C2SC(NC3CCCC3)=NC2=O)cc1OCC ZINC000096032380 518321111 /nfs/dbraw/zinc/32/11/11/518321111.db2.gz LYHPAWJSBXBIFJ-QGOAFFKASA-N 0 0 370.474 3.600 50 30 FHEARN C#CCn1c2c(cccc2Cl)sc1=NC(=O)c1ccc(C(C)=O)cc1 ZINC000100910048 518341403 /nfs/dbraw/zinc/34/14/03/518341403.db2.gz BDBSRJRMMAAVSB-VZCXRCSSSA-N 0 0 368.845 3.933 50 30 FHEARN C#CCn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1ccc([N+](=O)[O-])s1 ZINC000100910055 518342644 /nfs/dbraw/zinc/34/26/44/518342644.db2.gz QNMUEPCPPKETNT-ZCXUNETKSA-N 0 0 371.443 3.664 50 30 FHEARN C/C(=N/OCC(=O)Nc1ccccc1Br)c1cccs1 ZINC000013139108 518454617 /nfs/dbraw/zinc/45/46/17/518454617.db2.gz BQMDLLMGNYRMFD-YVLHZVERSA-N 0 0 353.241 3.890 50 30 FHEARN C=CCN(Cc1nc(-c2cccc(C)c2)no1)C(=O)c1ccc(OC)cc1 ZINC000007720527 518799609 /nfs/dbraw/zinc/79/96/09/518799609.db2.gz HXQVAVQMCURDGK-UHFFFAOYSA-N 0 0 363.417 3.882 50 30 FHEARN C=CCNC(=O)[C@@H](C)Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 ZINC000007837315 518916111 /nfs/dbraw/zinc/91/61/11/518916111.db2.gz QTQUUQOEJYLHBZ-GHMZBOCLSA-N 0 0 363.508 3.706 50 30 FHEARN C=CCOc1ccc(CN(C)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 ZINC000006600227 519029555 /nfs/dbraw/zinc/02/95/55/519029555.db2.gz KIVXNOSPCZFXBB-FMIVXFBMSA-N 0 0 352.390 3.831 50 30 FHEARN C=CCc1cc(OC)ccc1OCCCn1cnc2ccccc2c1=O ZINC000004845456 519132451 /nfs/dbraw/zinc/13/24/51/519132451.db2.gz HANLVRBZUNCYOV-UHFFFAOYSA-N 0 0 350.418 3.603 50 30 FHEARN C=CCc1ccc(OC(=O)Nc2ccc([N+](=O)[O-])cc2OC)c(OC)c1 ZINC000004797202 519133857 /nfs/dbraw/zinc/13/38/57/519133857.db2.gz BNCKSVBRHOGUFR-UHFFFAOYSA-N 0 0 358.350 3.951 50 30 FHEARN C=CCn1c(=O)c2ccsc2nc1SCc1nc(-c2ccco2)no1 ZINC000032754517 519162447 /nfs/dbraw/zinc/16/24/47/519162447.db2.gz LAYRINSYBPNQIX-UHFFFAOYSA-N 0 0 372.431 3.579 50 30 FHEARN C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c1C ZINC000008617394 519170399 /nfs/dbraw/zinc/17/03/99/519170399.db2.gz OCTNVGXWKSNGIH-UHFFFAOYSA-N 0 0 353.447 3.502 50 30 FHEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cccnc1 ZINC000001417200 519215989 /nfs/dbraw/zinc/21/59/89/519215989.db2.gz XOCITZHOGXQKKR-UHFFFAOYSA-N 0 0 365.462 3.565 50 30 FHEARN C=CCn1c2cc3c(cc2s/c1=N\C(=O)c1ccccc1F)OCCO3 ZINC000101035391 519260603 /nfs/dbraw/zinc/26/06/03/519260603.db2.gz KRYMOQHTXYYTTK-VZCXRCSSSA-N 0 0 370.405 3.540 50 30 FHEARN C=CCn1c2c(cccc2OC)s/c1=N\C(=O)c1cccc([N+](=O)[O-])c1 ZINC000100909558 519261133 /nfs/dbraw/zinc/26/11/33/519261133.db2.gz OOVIITYBWASBSY-HNENSFHCSA-N 0 0 369.402 3.547 50 30 FHEARN C=CCn1cnn(CN2CCC(C(=O)c3ccc(C)cc3C)CC2)c1=S ZINC000025487861 519285264 /nfs/dbraw/zinc/28/52/64/519285264.db2.gz SXTVVIZOVANJIT-UHFFFAOYSA-N 0 0 370.522 3.769 50 30 FHEARN CC(C)Cc1ccc(S(=O)(=O)N/N=C\c2cc(Cl)ccc2O)cc1 ZINC000017075375 519441371 /nfs/dbraw/zinc/44/13/71/519441371.db2.gz GDYWXNSDXGSJCV-ODLFYWEKSA-N 0 0 366.870 3.557 50 30 FHEARN CC(=O)O[C@H]1CC[C@@]2(/C=N/O)C(=CC[C@@H]3[C@H]4CCC(=O)[C@]4(C)CC[C@H]32)C1 ZINC000261490496 519757910 /nfs/dbraw/zinc/75/79/10/519757910.db2.gz JIIVOVFNPCJNDJ-AWARVMJISA-N 0 0 359.466 3.890 50 30 FHEARN CCCC(=O)C1=C(c2ccc(C)cc2)N(C(=O)CCC)n2cnnc2S1 ZINC000004518251 519861992 /nfs/dbraw/zinc/86/19/92/519861992.db2.gz NODQGWZIUWPDDA-UHFFFAOYSA-N 0 0 370.478 3.695 50 30 FHEARN CCCCCCC[C@]1(C)NC(=O)N(CC(=O)N[C@H](C)c2ccccc2)C1=O ZINC000103139437 520068069 /nfs/dbraw/zinc/06/80/69/520068069.db2.gz JQNXNXZBSJUPKS-IERDGZPVSA-N 0 0 373.497 3.535 50 30 FHEARN CCCCCCNC(=O)CC1S/C(=N\c2ccc(Cl)cc2)NC1=O ZINC000005826016 520084696 /nfs/dbraw/zinc/08/46/96/520084696.db2.gz KJENZKOMJGIPLH-AWEZNQCLSA-N 0 0 367.902 3.646 50 30 FHEARN CCCCCCOc1ccccc1/C=N/NS(=O)(=O)c1ccccc1 ZINC000003097511 520107531 /nfs/dbraw/zinc/10/75/31/520107531.db2.gz MSWJUYGUVCRTOG-CAPFRKAQSA-N 0 0 360.479 3.958 50 30 FHEARN CCOC(=O)C1=C(C)NC(=Cc2cccc(OCc3ccccc3)c2)C1=O ZINC000004115525 520479026 /nfs/dbraw/zinc/47/90/26/520479026.db2.gz CIKGNNPUPAUFFC-CPNJWEJPSA-N 0 0 363.413 3.616 50 30 FHEARN CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNc2ccccc2O)C1=O ZINC000015946401 520616305 /nfs/dbraw/zinc/61/63/05/520616305.db2.gz PRCJRVAFCZPZTE-QBFSEMIESA-N 0 0 363.369 3.692 50 30 FHEARN CCOc1cc(/C=C/C(=O)c2ccc(C)cc2)ccc1OCC(=O)N(C)C ZINC000005128026 520618913 /nfs/dbraw/zinc/61/89/13/520618913.db2.gz DPKKMKZTXPSIHJ-XYOKQWHBSA-N 0 0 367.445 3.757 50 30 FHEARN CCOc1ccc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)cc1 ZINC000244858466 520931877 /nfs/dbraw/zinc/93/18/77/520931877.db2.gz VLRHMUSQPRNDPO-UHFFFAOYSA-N 0 0 351.494 3.854 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@@H]1c1ccco1 ZINC000240902766 521089809 /nfs/dbraw/zinc/08/98/09/521089809.db2.gz IVFRUNMVGVCYJG-XLIONFOSSA-N 0 0 353.418 3.665 50 30 FHEARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1OC)C2=O ZINC000005901235 521216504 /nfs/dbraw/zinc/21/65/04/521216504.db2.gz XQNMMAZQABVEAD-JFENUBAZSA-N 0 0 368.385 3.642 50 30 biogenic FHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(N(C)C)cc2)C[C@@H]1c1ccco1 ZINC000240902767 521277520 /nfs/dbraw/zinc/27/75/20/521277520.db2.gz IVFRUNMVGVCYJG-YLJYHZDGSA-N 0 0 353.418 3.665 50 30 FHEARN CCOc1cccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)c1O ZINC000019791139 521314168 /nfs/dbraw/zinc/31/41/68/521314168.db2.gz WHMDWKFOCQGEIW-HZHRSRAPSA-N 0 0 367.493 3.559 50 30 FHEARN CCCN(CCC#N)C(=O)c1nc(-c2ccoc2)n(-c2ccc(C)cc2)n1 ZINC000034911304 521628062 /nfs/dbraw/zinc/62/80/62/521628062.db2.gz LAVYNMSHIHTQGG-UHFFFAOYSA-N 0 0 363.421 3.602 50 30 FHEARN COc1cc(/C(C)=N\N2CCN(Cc3ccc(Cl)cc3)CC2)ccc1O ZINC000020082038 521923133 /nfs/dbraw/zinc/92/31/33/521923133.db2.gz QPBOKCMORSSMHU-JCMHNJIXSA-N 0 0 373.884 3.596 50 30 FHEARN COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O ZINC000100067274 521925170 /nfs/dbraw/zinc/92/51/70/521925170.db2.gz ZIUSSTSXXLLKKK-KOBPDPAPSA-N 0 0 368.385 3.853 50 30 aggregator,biogenic,in-vitro FHEARN CN(C)c1ccc(C=[NH+][N-]c2cncc([C@H](C#N)c3ccccc3)n2)cc1 ZINC000004117003 522134659 /nfs/dbraw/zinc/13/46/59/522134659.db2.gz DUQKHLJZEIEDSL-NZYROCMPSA-N 0 0 356.433 3.644 50 30 FHEARN COC(C)(C)CCC[C@](C)(O)C#CCN1CCCC[C@H]1c1cccnc1 ZINC000248291453 522473259 /nfs/dbraw/zinc/47/32/59/522473259.db2.gz UBZDIWVELVGWPC-UNMCSNQZSA-N 0 0 358.526 3.958 50 30 FHEARN COc1ccc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)c(OC)c1 ZINC000007350076 523402197 /nfs/dbraw/zinc/40/21/97/523402197.db2.gz MCYFCTNBCPPUHX-PKNBQFBNSA-N 0 0 351.402 3.727 50 30 FHEARN COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccncc4)ccc3C2=O)cc1 ZINC000016215920 523425199 /nfs/dbraw/zinc/42/51/99/523425199.db2.gz VYGONSHFAUPLFO-NDENLUEZSA-N 0 0 373.364 3.926 50 30 FHEARN COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c(OC)c1 ZINC000016405561 523540947 /nfs/dbraw/zinc/54/09/47/523540947.db2.gz ZNTALZWKJXOKFB-UXBLZVDNSA-N 0 0 358.390 3.626 50 30 FHEARN CN=C(Nc1cccc(Cl)c1)S[C@@H]1CC(=O)N(c2ccccc2)C1=O ZINC000018082071 523672325 /nfs/dbraw/zinc/67/23/25/523672325.db2.gz QRSWRPSCUKYKAC-OAHLLOKOSA-N 0 0 373.865 3.612 50 30 FHEARN CN1c2ccc(Cl)cc2[C@](O)(CC(=O)C=CC=Cc2ccccc2)C1=O ZINC000033714623 523724193 /nfs/dbraw/zinc/72/41/93/523724193.db2.gz UWACZYOBENUMQP-SNTNVVOQSA-N 0 0 367.832 3.733 50 30 FHEARN CN(/C(=N/S(=O)(=O)c1cccs1)c1ccccc1)c1ccc(O)cc1 ZINC000012524682 523769128 /nfs/dbraw/zinc/76/91/28/523769128.db2.gz WUQOBLLHKQLYFX-VHEBQXMUSA-N 0 0 372.471 3.726 50 30 FHEARN COc1ccc(C(=O)O/N=C2\CCCc3cc(O)c(C)cc32)cc1[N+](=O)[O-] ZINC000004481827 523770941 /nfs/dbraw/zinc/77/09/41/523770941.db2.gz PPCAYVQCOSVMJB-HMMYKYKNSA-N 0 0 370.361 3.515 50 30 FHEARN COc1ccc(C(=O)[C@@H]2CCCN(CC#Cc3ccccc3)C2)cc1OC ZINC000055344266 523775426 /nfs/dbraw/zinc/77/54/26/523775426.db2.gz OUYIWMCNHRBWGN-HXUWFJFHSA-N 0 0 363.457 3.650 50 30 FHEARN CCc1ccc(C2=NN/C(=N/Cc3ccc4c(c3)OCO4)SC2)s1 ZINC000011113983 523902888 /nfs/dbraw/zinc/90/28/88/523902888.db2.gz SYCXPSUMBVMZHC-UHFFFAOYSA-N 0 0 359.476 3.636 50 30 FHEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)c1cccc(F)c1 ZINC000003404210 524034926 /nfs/dbraw/zinc/03/49/26/524034926.db2.gz KMSRXKKJILIEJZ-XDHOZWIPSA-N 0 0 353.393 3.863 50 30 FHEARN Cc1cc(C)c(C#N)c(N2CCC(c3nccn3Cc3ccccn3)CC2)n1 ZINC000091288964 524214397 /nfs/dbraw/zinc/21/43/97/524214397.db2.gz CDVKPXXSKGZAEK-UHFFFAOYSA-N 0 0 372.476 3.594 50 30 FHEARN COc1ccc(Cn2c3ccccc3nc2CN2CCC[C@@H](C=O)C2)cc1 ZINC000261490912 524258059 /nfs/dbraw/zinc/25/80/59/524258059.db2.gz OVRFIUXNLOUMKZ-GOSISDBHSA-N 0 0 363.461 3.504 50 30 FHEARN C[C@H]1COC[C@H](c2ccccc2)N1C(=O)CSCc1ccc(C#N)cc1 ZINC000089941338 524737562 /nfs/dbraw/zinc/73/75/62/524737562.db2.gz BAUVLRXPACMVIN-OXJNMPFZSA-N 0 0 366.486 3.780 50 30 FHEARN COc1ccc(OC)c(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1 ZINC000004045750 524802786 /nfs/dbraw/zinc/80/27/86/524802786.db2.gz RQSXVMSFJWLNRG-SOFGYWHQSA-N 0 0 358.390 3.626 50 30 biogenic FHEARN COc1ccc(OC)c(C(=O)/C=C/c2ccc(OC)c(OC)c2OC)c1 ZINC000016408317 524803516 /nfs/dbraw/zinc/80/35/16/524803516.db2.gz YZSMDPSBDOKOLA-RMKNXTFCSA-N 0 0 358.390 3.626 50 30 FHEARN C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=NNC(N)=S)CC[C@]34C)[C@@H]1CC[C@@H]2O ZINC000253534081 525349259 /nfs/dbraw/zinc/34/92/59/525349259.db2.gz YSALUCJHTGLMGQ-NWSQPLAPSA-N 0 0 363.571 3.579 50 30 FHEARN COc1cccc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)c1OC ZINC000096919909 525770079 /nfs/dbraw/zinc/77/00/79/525770079.db2.gz OCILNKKQDNEMSC-RAXLEYEMSA-N 0 0 351.402 3.727 50 30 FHEARN C[C@H](OCc1ccccc1)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 ZINC000032942812 525919988 /nfs/dbraw/zinc/91/99/88/525919988.db2.gz QBYUYUHPCLBCNX-HNNXBMFYSA-N 0 0 361.363 3.778 50 30 FHEARN Cc1ccc(C(=O)OCC#CCSc2nnc(-c3ccccc3)o2)cc1 ZINC000002261728 526236310 /nfs/dbraw/zinc/23/63/10/526236310.db2.gz KCPBZWOZOWYSEC-UHFFFAOYSA-N 0 0 364.426 3.998 50 30 FHEARN N#CC1(NC(=O)CNc2cccc(OC(F)(F)F)c2)CCCCCC1 ZINC000024369781 526435424 /nfs/dbraw/zinc/43/54/24/526435424.db2.gz SDLXBHVGYBFOQX-UHFFFAOYSA-N 0 0 355.360 3.730 50 30 FHEARN N#CC1(NC(=O)CNc2ccccc2SCC(F)(F)F)CCCC1 ZINC000040050863 526436136 /nfs/dbraw/zinc/43/61/36/526436136.db2.gz AOHUMVKMYQIKNX-UHFFFAOYSA-N 0 0 357.401 3.705 50 30 FHEARN N#CCCn1cc(C(=O)OCC(=O)c2ccccc2)c(-c2cccs2)n1 ZINC000005000346 526467954 /nfs/dbraw/zinc/46/79/54/526467954.db2.gz JGSNTSNCAKWFMT-UHFFFAOYSA-N 0 0 365.414 3.565 50 30 FHEARN C=CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000257173672 526631177 /nfs/dbraw/zinc/63/11/77/526631177.db2.gz URXFLOPQWGWCHW-MOPGFXCFSA-N 0 0 368.502 3.987 50 30 FHEARN C=CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1 ZINC000257173675 526631367 /nfs/dbraw/zinc/63/13/67/526631367.db2.gz URXFLOPQWGWCHW-RTBURBONSA-N 0 0 368.502 3.987 50 30 FHEARN N#Cc1ccc(NCCOc2ccc3c(c2)OCO3)cc1C(F)(F)F ZINC000078524972 526663263 /nfs/dbraw/zinc/66/32/63/526663263.db2.gz ZANMZZYDBQHNBG-UHFFFAOYSA-N 0 0 350.296 3.797 50 30 FHEARN N#Cc1ncoc1N=NCc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000026770282 526799683 /nfs/dbraw/zinc/79/96/83/526799683.db2.gz DOEBCKOPFBKWHV-UFFVCSGVSA-N 0 0 360.402 3.906 50 30 FHEARN O=C(CON=C1CCCCCN1)Nc1ccc(OCc2ccccc2)cc1 ZINC000006601440 526904975 /nfs/dbraw/zinc/90/49/75/526904975.db2.gz XEZSHOAHJHQCEG-UHFFFAOYSA-N 0 0 367.449 3.698 50 30 FHEARN O=S(=O)(N=C(NCc1ccccc1)c1ccccc1)c1ccccc1 ZINC000018155262 527157949 /nfs/dbraw/zinc/15/79/49/527157949.db2.gz DRYHJCRQIRFOBJ-UHFFFAOYSA-N 0 0 350.443 3.612 50 30 FHEARN CCN1c2cc(C(=O)Nc3cccc(C#N)c3)ccc2C(=O)N2CCCC[C@H]12 ZINC000097161346 535785219 /nfs/dbraw/zinc/78/52/19/535785219.db2.gz VYUGORKCQLPXFD-HXUWFJFHSA-N 0 0 374.444 3.603 50 30 FHEARN Cc1ccc(-c2nc3n(c(=O)c2C#N)CN(c2ccc(C)cc2)CS3)cc1 ZINC000012250603 567891282 /nfs/dbraw/zinc/89/12/82/567891282.db2.gz NCJGQVIUMTZJNI-UHFFFAOYSA-N 0 0 374.469 3.926 50 30 FHEARN CC(C)=NNc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3 ZINC000004813925 570447940 /nfs/dbraw/zinc/44/79/40/570447940.db2.gz FBCHEXQHFNBKGV-UHFFFAOYSA-N 0 0 352.463 3.803 50 30 FHEARN N#Cc1cccc(NC(=O)CNc2cc(Cl)ccc2N2CCCC2)c1 ZINC000011620690 570484635 /nfs/dbraw/zinc/48/46/35/570484635.db2.gz YMXCZHOKIZWNMZ-UHFFFAOYSA-N 0 0 354.841 3.862 50 30 FHEARN COC(=O)c1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1 ZINC000002250998 570517620 /nfs/dbraw/zinc/51/76/20/570517620.db2.gz LWOZGHHYOAHCKX-UHFFFAOYSA-N 0 0 352.386 3.601 50 30 FHEARN Oc1ccc(Br)cc1/C=N/NC(=S)Nc1ccc(F)cc1 ZINC000002506395 570522645 /nfs/dbraw/zinc/52/26/45/570522645.db2.gz OJTNDCHKRLQIFY-CAOOACKPSA-N 0 0 368.231 3.614 50 30 FHEARN COc1ccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c(OC)c1 ZINC000023881481 570545376 /nfs/dbraw/zinc/54/53/76/570545376.db2.gz PAAQZLPAYUJBID-UHFFFAOYSA-N 0 0 358.397 3.751 50 30 FHEARN C[C@@H]1CCCN(c2ccc(C(=O)Nc3cccc(C#N)c3)cc2[N+](=O)[O-])C1 ZINC000004895546 570555602 /nfs/dbraw/zinc/55/56/02/570555602.db2.gz JKVYIZSBBXWJHC-CQSZACIVSA-N 0 0 364.405 3.955 50 30 FHEARN Cc1cccc(N=C(NC(=O)c2ccccc2)Nc2nc(C)cc(C)n2)c1 ZINC000003771820 570567987 /nfs/dbraw/zinc/56/79/87/570567987.db2.gz XDWSZRMDSLREJN-UHFFFAOYSA-N 0 0 359.433 3.931 50 30 FHEARN CN1C(=O)C[C@H](C(=O)Nc2ccccc2Cl)S/C1=N\c1ccccc1 ZINC000004996610 570573630 /nfs/dbraw/zinc/57/36/30/570573630.db2.gz ZNCNTHRGFRLTLV-MEUCICPISA-N 0 0 373.865 3.930 50 30 FHEARN CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccco1 ZINC000004083024 570575107 /nfs/dbraw/zinc/57/51/07/570575107.db2.gz LUDYOKCZETWCOX-FKBYEOEOSA-N 0 0 367.445 3.987 50 30 FHEARN C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)o1)C1=C(CCCC1=O)N2 ZINC000004137556 570578448 /nfs/dbraw/zinc/57/84/48/570578448.db2.gz MEXBKIYCXWUGLD-OAHLLOKOSA-N 0 0 369.446 3.514 50 30 FHEARN Cc1nc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c(C#N)c(C)c1C ZINC000005089247 570582916 /nfs/dbraw/zinc/58/29/16/570582916.db2.gz KGCIZGKJDSZRNS-ZDUSSCGKSA-N 0 0 369.446 3.727 50 30 FHEARN CCOc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCC)nn32)cc1 ZINC000004436146 570591170 /nfs/dbraw/zinc/59/11/70/570591170.db2.gz ZSWBANGIIAFGEQ-KRWDZBQOSA-N 0 0 370.478 3.811 50 30 FHEARN N#Cc1c2c(sc1NC(=O)CSc1nncn1C1CC1)CCCCC2 ZINC000011720752 570592550 /nfs/dbraw/zinc/59/25/50/570592550.db2.gz SHMCUJSXGYXUOF-UHFFFAOYSA-N 0 0 373.507 3.546 50 30 FHEARN COc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 ZINC000004914481 570613569 /nfs/dbraw/zinc/61/35/69/570613569.db2.gz CNGDWXXYKYMNOX-YOEHRIQHSA-N 0 0 365.404 3.839 50 30 FHEARN C/C(=N/N=C1\NC(=O)[C@H](Cc2ccc(F)cc2)S1)c1ccc(C)cc1 ZINC000005048932 570619645 /nfs/dbraw/zinc/61/96/45/570619645.db2.gz UXIMQZQPEJIASD-RIWZNOJBSA-N 0 0 355.438 3.688 50 30 FHEARN CSc1nc2c(c(=O)[nH]1)[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005130461 570621680 /nfs/dbraw/zinc/62/16/80/570621680.db2.gz VAFZGOXVSNJVTP-CYBMUJFWSA-N 0 0 373.503 3.754 50 30 FHEARN Cc1ccc2[nH]c(C3=C(N)N(c4cccc(C(F)(F)F)c4)CC3=O)nc2c1 ZINC000005182833 570629935 /nfs/dbraw/zinc/62/99/35/570629935.db2.gz NLPCGVWVTGMPTK-UHFFFAOYSA-N 0 0 372.350 3.607 50 30 FHEARN Cc1ccc2[nH]c(C3=C(N)N(c4ccc(Cl)cc4Cl)CC3=O)nc2c1 ZINC000005182830 570630015 /nfs/dbraw/zinc/63/00/15/570630015.db2.gz SPQOHUPKEDWJGR-UHFFFAOYSA-N 0 0 373.243 3.895 50 30 FHEARN O=[N+]([O-])c1ccc(NN=Cc2ccc3c(c2)OCO3)c(C(F)(F)F)c1 ZINC000005945461 570639277 /nfs/dbraw/zinc/63/92/77/570639277.db2.gz ZKENOQWZQXXVEB-FBCYGCLPSA-N 0 0 353.256 3.788 50 30 FHEARN Cn1c(-c2ccc(Br)cc2)cs/c1=N/N=C/c1cccnc1 ZINC000005242423 570639525 /nfs/dbraw/zinc/63/95/25/570639525.db2.gz ATZSONHLSCDTIH-QZAMUAOBSA-N 0 0 373.279 3.846 50 30 FHEARN COc1ccc(C[C@@H]2S/C(=N/N=C/c3ccc(Cl)cc3)NC2=O)cc1 ZINC000006181918 570642523 /nfs/dbraw/zinc/64/25/23/570642523.db2.gz QPGRONRDWXHVGJ-YODDIOPGSA-N 0 0 373.865 3.513 50 30 FHEARN Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)N(C)CCC#N)c(Cl)c12 ZINC000005313956 570646980 /nfs/dbraw/zinc/64/69/80/570646980.db2.gz AORGPVBMUYEHFJ-UHFFFAOYSA-N 0 0 371.803 3.507 50 30 FHEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(F)cc2)cc1 ZINC000006819603 570654921 /nfs/dbraw/zinc/65/49/21/570654921.db2.gz AJVWSJMDLJFZDW-QAPCUYQASA-N 0 0 365.404 3.839 50 30 FHEARN O=C(/C=C1\NCCc2cc3c(cc21)OCCCO3)c1cc2ccccc2o1 ZINC000005427070 570655009 /nfs/dbraw/zinc/65/50/09/570655009.db2.gz YBSXGVCWLROOAC-LGMDPLHJSA-N 0 0 361.397 3.964 50 30 biogenic FHEARN CCCn1cnnc1CN(C)C(=O)c1ccc(-c2ccc(C#N)cc2C)cc1 ZINC000584885336 570655560 /nfs/dbraw/zinc/65/55/60/570655560.db2.gz PWRXUSWZWHGSOZ-UHFFFAOYSA-N 0 0 373.460 3.807 50 30 FHEARN COc1ccc(C(=O)C2C(=O)C(=O)N(C)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000005445548 570656682 /nfs/dbraw/zinc/65/66/82/570656682.db2.gz VMELWDLOETZWLF-INIZCTEOSA-N 0 0 357.793 3.557 50 30 FHEARN COc1cc2ncc(C#N)c(Nc3ccc4c(c3)OCCO4)c2cc1OC ZINC000034337034 570667079 /nfs/dbraw/zinc/66/70/79/570667079.db2.gz PPPRTLJONJRQEW-UHFFFAOYSA-N 0 0 363.373 3.638 50 30 FHEARN COC(=O)c1sc(NC(=O)c2cc(Cl)ccc2OC)c(C#N)c1C ZINC000005531603 570667227 /nfs/dbraw/zinc/66/72/27/570667227.db2.gz UVRHOZAQXBNVKU-UHFFFAOYSA-N 0 0 364.810 3.629 50 30 FHEARN N#CCCCSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1 ZINC000005571321 570676409 /nfs/dbraw/zinc/67/64/09/570676409.db2.gz UONGRVDIMIYQAK-CYBMUJFWSA-N 0 0 363.870 3.625 50 30 FHEARN CC(=O)N[C@@H](Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl ZINC000004321685 570695669 /nfs/dbraw/zinc/69/56/69/570695669.db2.gz HYHZYFKITSMITF-LBPRGKRZSA-N 0 0 366.701 3.743 50 30 FHEARN CCCOc1nc2nc(-c3ccco3)n(Cc3ccco3)c(N)c-2c1C#N ZINC000002591585 570717261 /nfs/dbraw/zinc/71/72/61/570717261.db2.gz IDUDBGSXGVNPES-UHFFFAOYSA-N 0 0 363.377 3.527 50 30 FHEARN C[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)c1cccc(Cl)c1 ZINC000012974759 570769727 /nfs/dbraw/zinc/76/97/27/570769727.db2.gz HJZGHDCDIQCUGY-LBPRGKRZSA-N 0 0 370.792 3.620 50 30 FHEARN N#Cc1cccc(NC(=O)CSc2n[nH]cc3c4ccccc4nc2-3)c1 ZINC000032761090 570793002 /nfs/dbraw/zinc/79/30/02/570793002.db2.gz GZKGEDRRPSYSCR-UHFFFAOYSA-N 0 0 359.414 3.714 50 30 FHEARN CN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccccc1 ZINC000004474024 570794810 /nfs/dbraw/zinc/79/48/10/570794810.db2.gz ZDXQEIPLCWLEPL-BAOKRACBSA-N 0 0 373.865 3.930 50 30 FHEARN CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O ZINC000004482894 570797046 /nfs/dbraw/zinc/79/70/46/570797046.db2.gz VTBKKVCDMNDVGX-MFOYZWKCSA-N 0 0 358.777 3.898 50 30 FHEARN Cc1c2c(nc(S[C@H](C)C(=O)NCc3cccs3)c1C#N)CCC2 ZINC000032776201 570798208 /nfs/dbraw/zinc/79/82/08/570798208.db2.gz UFOZSCGPYCTYOI-GFCCVEGCSA-N 0 0 357.504 3.609 50 30 FHEARN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1cccc(Cl)c1Cl ZINC000032832139 570818845 /nfs/dbraw/zinc/81/88/45/570818845.db2.gz UWTAFYJQTNKADF-SJCJKPOMSA-N 0 0 356.297 3.868 50 30 FHEARN Cc1nn(-c2ccccc2)c2c1C[C@@](C#N)(c1ccccn1)[C@H]1CCCN21 ZINC000102374137 570831621 /nfs/dbraw/zinc/83/16/21/570831621.db2.gz LVBJAXYKDWSGLN-IFMALSPDSA-N 0 0 355.445 3.562 50 30 FHEARN Cc1sc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)c(C#N)c1C ZINC000004554542 570833745 /nfs/dbraw/zinc/83/37/45/570833745.db2.gz WGWCYWQQZATWPZ-UHFFFAOYSA-N 0 0 374.447 3.580 50 30 FHEARN COc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1OC ZINC000024506794 570849548 /nfs/dbraw/zinc/84/95/48/570849548.db2.gz DGTZLCPIRKHXKI-UHFFFAOYSA-N 0 0 363.335 3.504 50 30 FHEARN Cc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccccc2)cc1C ZINC000046128839 570927629 /nfs/dbraw/zinc/92/76/29/570927629.db2.gz CLNMYEASZLCIOP-LJQANCHMSA-N 0 0 351.450 3.680 50 30 FHEARN Cc1ccc(NC(=NC(=O)c2cccc(C)c2)NC[C@H]2CCCO2)cc1 ZINC000046130315 570928034 /nfs/dbraw/zinc/92/80/34/570928034.db2.gz DXTDWNHROCDXBG-LJQANCHMSA-N 0 0 351.450 3.680 50 30 FHEARN Cc1ccc(CCC(=O)OCC(=O)Nc2cccc(C#N)c2)cc1Cl ZINC000010739914 570928917 /nfs/dbraw/zinc/92/89/17/570928917.db2.gz JHECSMMHESIYPA-UHFFFAOYSA-N 0 0 356.809 3.635 50 30 FHEARN N#Cc1ccc(CN(CC(F)(F)F)C(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000043243451 570931428 /nfs/dbraw/zinc/93/14/28/570931428.db2.gz YJEQWABXGJFQGS-UHFFFAOYSA-N 0 0 363.295 3.671 50 30 FHEARN CN1c2cc3c(cc2S/C1=C/C(=O)c1ccc([N+](=O)[O-])cc1)OCO3 ZINC000111928441 570943291 /nfs/dbraw/zinc/94/32/91/570943291.db2.gz IOGLGSTXWFEGHV-REZTVBANSA-N 0 0 356.359 3.590 50 30 FHEARN Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)N(C)C[C@H](C)C#N ZINC000048363428 570951717 /nfs/dbraw/zinc/95/17/17/570951717.db2.gz XMFYWWBTQZCQQF-ATWMFIQVSA-N 0 0 370.884 3.833 50 30 FHEARN C=C(C)CSc1nnc2n1c1ccccc1c(=O)n2Cc1ccccc1 ZINC000005362789 570958009 /nfs/dbraw/zinc/95/80/09/570958009.db2.gz CALPDIUZXROQBY-UHFFFAOYSA-N 0 0 362.458 3.761 50 30 FHEARN Cc1[nH]c2ccccc2c1C(=O)[C@H](C#N)c1nnc(-c2ccccc2)n1C ZINC000066867504 571028368 /nfs/dbraw/zinc/02/83/68/571028368.db2.gz VVDRCKIGJUQCPC-INIZCTEOSA-N 0 0 355.401 3.762 50 30 FHEARN C[C@@H](OC(=O)c1cccc2cccnc21)C(=O)N(CCC#N)c1ccccc1 ZINC000083888370 571056747 /nfs/dbraw/zinc/05/67/47/571056747.db2.gz JTHBKIVLLXWBQZ-MRXNPFEDSA-N 0 0 373.412 3.727 50 30 FHEARN Cn1nc(C(F)(F)F)c(/C=N/OC(=O)c2ccc(Cl)cc2)c1Cl ZINC000001391146 571059090 /nfs/dbraw/zinc/05/90/90/571059090.db2.gz CXFHMKGETYGQQE-KPSZGOFPSA-N 0 0 366.126 3.937 50 30 FHEARN N#Cc1ccc(OCC(=O)N2CCC(CCc3ccc(O)cc3)CC2)cc1 ZINC000008750700 571059462 /nfs/dbraw/zinc/05/94/62/571059462.db2.gz PEVAHXYRYWRNRG-UHFFFAOYSA-N 0 0 364.445 3.514 50 30 FHEARN N#Cc1ccc(C(=O)Nc2ccc3nn(-c4ccccc4)nc3c2)c(F)c1 ZINC000001408941 571060920 /nfs/dbraw/zinc/06/09/20/571060920.db2.gz WEKNMYZIDMXBTJ-UHFFFAOYSA-N 0 0 357.348 3.684 50 30 FHEARN C=C(C)COc1ccccc1NC(=O)N1CC[C@H](n2nc(C)cc2C)C1 ZINC000096164588 571072615 /nfs/dbraw/zinc/07/26/15/571072615.db2.gz NKELPWRRKIYBRS-KRWDZBQOSA-N 0 0 354.454 3.934 50 30 FHEARN Cc1cccc(COc2cccc(C(=O)N[C@]3(C#N)CCSC3)c2)c1 ZINC000084210724 571078943 /nfs/dbraw/zinc/07/89/43/571078943.db2.gz XWPJTMQYLAMMIP-FQEVSTJZSA-N 0 0 352.459 3.703 50 30 FHEARN Cc1cccc(COc2cccc(C(=O)N[C@@]3(C#N)CCSC3)c2)c1 ZINC000084210725 571079044 /nfs/dbraw/zinc/07/90/44/571079044.db2.gz XWPJTMQYLAMMIP-HXUWFJFHSA-N 0 0 352.459 3.703 50 30 FHEARN N#C[C@H](C(=O)CCc1ccc(F)cc1)c1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000040150583 571086006 /nfs/dbraw/zinc/08/60/06/571086006.db2.gz LWFLPCUTRQYIBG-OAHLLOKOSA-N 0 0 369.783 3.937 50 30 FHEARN CCN(C(=O)NCc1ccc2c(c1)OCO2)[C@H](C)c1ccc(C#N)cc1 ZINC000040151630 571086413 /nfs/dbraw/zinc/08/64/13/571086413.db2.gz ZOOGQZAYOIXIGJ-CQSZACIVSA-N 0 0 351.406 3.580 50 30 FHEARN Cc1noc2nc(-c3ccco3)cc(C(=O)N(CC#N)Cc3ccccc3)c12 ZINC000040155094 571087323 /nfs/dbraw/zinc/08/73/23/571087323.db2.gz VZEUVRBAHKYUOD-UHFFFAOYSA-N 0 0 372.384 3.957 50 30 FHEARN N#Cc1c(COC(=O)c2cc(O)c3ccccc3c2O)cn2ccccc12 ZINC000084590806 571091021 /nfs/dbraw/zinc/09/10/21/571091021.db2.gz NWKRFSHALGKOPH-UHFFFAOYSA-N 0 0 358.353 3.732 50 30 FHEARN N#Cc1ccc(OCCSc2nncn2-c2cccc(Cl)c2)cc1 ZINC000025026480 571105446 /nfs/dbraw/zinc/10/54/46/571105446.db2.gz NUPRYTDZENZYPF-UHFFFAOYSA-N 0 0 356.838 3.963 50 30 FHEARN CCOc1ccccc1[C@@H]1c2ccc(O)cc2Oc2nc(N)c(C#N)c(N)c21 ZINC000085409078 571112945 /nfs/dbraw/zinc/11/29/45/571112945.db2.gz RUPFXMQVLFANBB-QGZVFWFLSA-N 0 0 374.400 3.508 50 30 FHEARN CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O ZINC000009575772 571113798 /nfs/dbraw/zinc/11/37/98/571113798.db2.gz TXFVOIFIGYZSSJ-NVMNQCDNSA-N 0 0 356.349 3.772 50 30 FHEARN C[C@@H](OC(=O)/C=C/c1ccc(Cl)cc1)C(=O)Nc1cccc(C#N)c1 ZINC000006065083 571116419 /nfs/dbraw/zinc/11/64/19/571116419.db2.gz DRTPYRAANKIQPY-UTSBKAFOSA-N 0 0 354.793 3.795 50 30 FHEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccncc1 ZINC000000862970 571123243 /nfs/dbraw/zinc/12/32/43/571123243.db2.gz GOWGIHOBEJVTGB-UHFFFAOYSA-N 0 0 365.462 3.565 50 30 FHEARN C=CCNc1nnc(SCC(=O)Nc2ccc(SC)cc2)s1 ZINC000010213541 571123583 /nfs/dbraw/zinc/12/35/83/571123583.db2.gz WOKUTKGOMZAKGZ-UHFFFAOYSA-N 0 0 352.510 3.589 50 30 FHEARN C=CCn1cnnc1S[C@@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000023295489 571146791 /nfs/dbraw/zinc/14/67/91/571146791.db2.gz PXQLSIWVCBMQTK-LBPRGKRZSA-N 0 0 371.491 3.707 50 30 FHEARN CCNC(=S)NN=Cc1cccc(OCc2c(F)cccc2Cl)c1 ZINC000015990022 571148578 /nfs/dbraw/zinc/14/85/78/571148578.db2.gz HXRJELCRGDMZQB-UHFFFAOYSA-N 0 0 365.861 3.876 50 30 FHEARN N#Cc1cccc(S(=O)(=O)Nc2ccc3[nH]c(C4CCC4)nc3c2)c1 ZINC000075106941 571155345 /nfs/dbraw/zinc/15/53/45/571155345.db2.gz NDOZKZFHVICCIH-UHFFFAOYSA-N 0 0 352.419 3.503 50 30 FHEARN N#Cc1cccc(C(=O)N[C@H]2CCC[C@@H](OC(=O)Nc3ccccc3)C2)c1 ZINC000075165897 571157678 /nfs/dbraw/zinc/15/76/78/571157678.db2.gz OITVSGONONODKR-RBUKOAKNSA-N 0 0 363.417 3.848 50 30 FHEARN N#CC1(C#N)[C@H](c2cc3c(cc2Cl)OCO3)[C@@H]1C(=O)c1ccccc1 ZINC000075273540 571158797 /nfs/dbraw/zinc/15/87/97/571158797.db2.gz LSBNYAZUKPZSLQ-IAGOWNOFSA-N 0 0 350.761 3.699 50 30 FHEARN N#CC1(C#N)[C@H](C(=O)c2ccccc2)[C@H]1c1cc2c(cc1Cl)OCO2 ZINC000075273539 571159149 /nfs/dbraw/zinc/15/91/49/571159149.db2.gz LSBNYAZUKPZSLQ-SJORKVTESA-N 0 0 350.761 3.699 50 30 FHEARN COc1ccc(S[C@@H](C)C(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1 ZINC000053528374 571161230 /nfs/dbraw/zinc/16/12/30/571161230.db2.gz UEGJSZNHZBCEKT-NSHDSACASA-N 0 0 355.423 3.644 50 30 FHEARN CC/N=C1\S/C(=C\c2cccn2-c2ccc(OC)cc2)C(=O)N1CC ZINC000004704734 571167068 /nfs/dbraw/zinc/16/70/68/571167068.db2.gz CTTXVUORKGUYPK-CJGMICOPSA-N 0 0 355.463 3.798 50 30 FHEARN N#Cc1cccc(NC(=O)CSc2nncn2-c2cccc(Cl)c2)c1 ZINC000005892198 571167557 /nfs/dbraw/zinc/16/75/57/571167557.db2.gz KYDJPRXYUTUTPY-UHFFFAOYSA-N 0 0 369.837 3.523 50 30 FHEARN CC(C)N1c2ccccc2[C@](O)(CC(=O)C=CC=Cc2ccccc2)C1=O ZINC000004724201 571168953 /nfs/dbraw/zinc/16/89/53/571168953.db2.gz DNNMAEWTCWBBTQ-QEVSYEORSA-N 0 0 361.441 3.858 50 30 FHEARN CCCc1nc2ccccc2c(=O)n1/N=C/c1ccc(Br)cc1 ZINC000001788885 571170781 /nfs/dbraw/zinc/17/07/81/571170781.db2.gz RKOCFSXIYHRODC-UDWIEESQSA-N 0 0 370.250 3.994 50 30 FHEARN C[C@H]1CCc2sc(NC(=S)NC(=O)c3ccccc3)c(C#N)c2C1 ZINC000003902168 571171990 /nfs/dbraw/zinc/17/19/90/571171990.db2.gz ZIDKAOZWFJKVMK-NSHDSACASA-N 0 0 355.488 3.871 50 30 FHEARN Cc1cc(N(CCC#N)C(=O)COc2ccc(C#N)cc2)ccc1Cl ZINC000031676281 571172318 /nfs/dbraw/zinc/17/23/18/571172318.db2.gz 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Cc1cc2sc(NC(=O)c3cncc(N4CCOCC4)c3)nc2c(C)c1 ZINC000328886079 571234831 /nfs/dbraw/zinc/23/48/31/571234831.db2.gz ZOFJNRBKVRYYLQ-UHFFFAOYSA-N 0 0 368.462 3.781 50 30 FHEARN CCn1cc(Br)c(C(=O)/C=C/c2cc(OC)ccc2OC)n1 ZINC000006635987 571238024 /nfs/dbraw/zinc/23/80/24/571238024.db2.gz NIIBTDXJIGAHAQ-FNORWQNLSA-N 0 0 365.227 3.579 50 30 FHEARN C[C@@H](OC(=O)c1c(O)coc1Nc1ccccc1)c1ccccc1Cl ZINC000006654287 571239546 /nfs/dbraw/zinc/23/95/46/571239546.db2.gz JTSLYNWADJSWQC-GFCCVEGCSA-N 0 0 357.793 3.867 50 30 FHEARN Cc1ccnc(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)n1 ZINC000006698925 571241350 /nfs/dbraw/zinc/24/13/50/571241350.db2.gz XFJHMWAIDNSWDH-UHFFFAOYSA-N 0 0 358.492 3.718 50 30 FHEARN COc1ccccc1-n1c(N)c(C#N)c2c(c1=S)CO[C@@H](C(C)C)C2 ZINC000006719296 571243471 /nfs/dbraw/zinc/24/34/71/571243471.db2.gz MDBBYDDJQPMODB-QGZVFWFLSA-N 0 0 355.463 3.767 50 30 FHEARN N#Cc1c2c(sc1NC(=O)CSC1=NCCS1)CCCCC2 ZINC000006780660 571246135 /nfs/dbraw/zinc/24/61/35/571246135.db2.gz JCYGEVJILCSRDA-UHFFFAOYSA-N 0 0 351.522 3.663 50 30 FHEARN C[C@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccccc1C#N ZINC000007032657 571257786 /nfs/dbraw/zinc/25/77/86/571257786.db2.gz JHHZACIPHSGVEB-JTQLQIEISA-N 0 0 363.186 3.866 50 30 FHEARN Cc1cc(C)c(C#N)c(S[C@H](C)C(=O)N(C)Cc2cccc(F)c2)n1 ZINC000007049459 571258554 /nfs/dbraw/zinc/25/85/54/571258554.db2.gz NZPZQYOVVBLYSL-CQSZACIVSA-N 0 0 357.454 3.848 50 30 FHEARN C[C@H](Sc1ncc(-c2ccccc2)n1C)C(=O)NC1(C#N)CCCCC1 ZINC000007130390 571261696 /nfs/dbraw/zinc/26/16/96/571261696.db2.gz VBEAAXVWVOQUPS-HNNXBMFYSA-N 0 0 368.506 3.910 50 30 FHEARN C[C@H](Nc1nccnc1C#N)c1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000170616198 571268382 /nfs/dbraw/zinc/26/83/82/571268382.db2.gz HPQROVYBUFNNCK-JTQLQIEISA-N 0 0 369.226 3.674 50 30 FHEARN COc1ccc(C=NN2C(=S)N=NC2c2ccccc2Cl)cc1OC ZINC000006007194 571272755 /nfs/dbraw/zinc/27/27/55/571272755.db2.gz FCQLWCKKPSKFEI-VXLYETTFSA-N 0 0 374.853 3.787 50 30 FHEARN N#Cc1cccc(NC(=O)CN(Cc2ccco2)Cc2cccs2)c1 ZINC000007580413 571274504 /nfs/dbraw/zinc/27/45/04/571274504.db2.gz 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/nfs/dbraw/zinc/28/77/02/571287702.db2.gz BIJUETOVKOFPSE-FXAWDEMLSA-N 0 0 366.436 3.721 50 30 FHEARN C=CCn1c2ncnc(N=NCc3ccc(O)c(OC)c3)c2sc1=S ZINC000252621669 571288232 /nfs/dbraw/zinc/28/82/32/571288232.db2.gz NEFOBTHISUTFQK-UHFFFAOYSA-N 0 0 373.463 3.568 50 30 FHEARN N#Cc1oc2ccccc2c1NC(=O)COC(=O)c1cc2c(s1)CCC2 ZINC000007777461 571288471 /nfs/dbraw/zinc/28/84/71/571288471.db2.gz TXAPLTYMWSDEPZ-UHFFFAOYSA-N 0 0 366.398 3.650 50 30 FHEARN Fc1ccc(C=NNC(=S)NCc2ccccc2)cc1Br ZINC000252623913 571288624 /nfs/dbraw/zinc/28/86/24/571288624.db2.gz PCDRBDFQYMXGJW-UHFFFAOYSA-N 0 0 366.259 3.586 50 30 FHEARN CC(C)(O)C(=CCc1ccccc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252625972 571289069 /nfs/dbraw/zinc/28/90/69/571289069.db2.gz QTFFCAPFNDUXJG-WDXYBPDRSA-N 0 0 370.365 3.755 50 30 FHEARN COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000007836150 571290212 /nfs/dbraw/zinc/29/02/12/571290212.db2.gz YUIWOCAUQCTOBC-HNNXBMFYSA-N 0 0 364.445 3.702 50 30 FHEARN COc1ccccc1/C=N/N=C1\S[C@@H](C)C(=O)N1Cc1ccc(F)cc1 ZINC000002330370 571318167 /nfs/dbraw/zinc/31/81/67/571318167.db2.gz XHTDHQCBSYIFBW-PBTUDLSPSA-N 0 0 371.437 3.688 50 30 FHEARN C=CCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc21 ZINC000002347707 571318421 /nfs/dbraw/zinc/31/84/21/571318421.db2.gz LYKNXVCXMSOLOK-UHFFFAOYSA-N 0 0 358.401 3.558 50 30 FHEARN N#Cc1cccc(C(=O)N2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)c1 ZINC000072408985 571319156 /nfs/dbraw/zinc/31/91/56/571319156.db2.gz ZXTJPEXKADCEAH-QNWVGRARSA-N 0 0 360.457 3.851 50 30 FHEARN Cc1cc(Br)ccc1NC(=O)CSc1ncccc1C#N ZINC000007052127 571319903 /nfs/dbraw/zinc/31/99/03/571319903.db2.gz VXCNKUDWLNWOOE-UHFFFAOYSA-N 0 0 362.252 3.755 50 30 FHEARN N#Cc1nc(-c2ccccc2)oc1NC[C@H](c1ccccc1)N1CCOCC1 ZINC000027745074 571321148 /nfs/dbraw/zinc/32/11/48/571321148.db2.gz KESDTTSPTFILSB-HXUWFJFHSA-N 0 0 374.444 3.699 50 30 FHEARN CCC[C@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccc(OC)cc2)C1=O ZINC000002393890 571321300 /nfs/dbraw/zinc/32/13/00/571321300.db2.gz 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571323508 /nfs/dbraw/zinc/32/35/08/571323508.db2.gz XXMCKNWLSYOSCJ-UHFFFAOYSA-N 0 0 358.463 3.998 50 30 FHEARN N#Cc1ccc(C(=O)Nc2ccc3[nH]c(-c4ccc(Cl)cn4)nc3c2)nc1 ZINC000079074269 571326834 /nfs/dbraw/zinc/32/68/34/571326834.db2.gz MNDDDUHIHHYXEP-UHFFFAOYSA-N 0 0 374.791 3.797 50 30 FHEARN N#Cc1ccc(N2CCC(C(=O)OCc3cccc(Cl)c3)CC2)nc1 ZINC000022226236 571336429 /nfs/dbraw/zinc/33/64/29/571336429.db2.gz OYFWMBNQVHFWOU-UHFFFAOYSA-N 0 0 355.825 3.566 50 30 FHEARN O=C1N/C(=N\c2ccc(Cl)cc2)S[C@H]1Cc1ccc([N+](=O)[O-])cc1 ZINC000028294283 571338942 /nfs/dbraw/zinc/33/89/42/571338942.db2.gz JBERCQKCXNTOOZ-AWEZNQCLSA-N 0 0 361.810 3.710 50 30 FHEARN COc1ccccc1CNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000002620284 571339367 /nfs/dbraw/zinc/33/93/67/571339367.db2.gz MDVLOCAXPASKBU-UHFFFAOYSA-N 0 0 372.424 3.929 50 30 FHEARN C[C@H]1CCc2c(C#N)c(NC(=O)CN3CCc4ccccc43)sc2C1 ZINC000002726596 571340639 /nfs/dbraw/zinc/34/06/39/571340639.db2.gz DOBFHQAFBXHYLK-ZDUSSCGKSA-N 0 0 351.475 3.746 50 30 FHEARN CCN(CC)C(=O)c1sc(NC(=O)c2cccc(OC)c2)c(C#N)c1C ZINC000002736366 571340668 /nfs/dbraw/zinc/34/06/68/571340668.db2.gz XWRWZXPZVGOSQQ-UHFFFAOYSA-N 0 0 371.462 3.671 50 30 FHEARN CCOC(=O)C1CCN(/C=C/C(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000002790254 571340989 /nfs/dbraw/zinc/34/09/89/571340989.db2.gz XXVXFIOFARVXKA-VMPITWQZSA-N 0 0 356.249 3.965 50 30 FHEARN N#Cc1cc2nc(-c3cccc(OC(F)F)c3)cc(C(F)(F)F)n2n1 ZINC000002796750 571341112 /nfs/dbraw/zinc/34/11/12/571341112.db2.gz SDROMKJQFLUPNL-UHFFFAOYSA-N 0 0 354.238 3.888 50 30 FHEARN C(=N\c1ccc2c(c1)OCCOCCOCCO2)\c1c[nH]c2ccccc12 ZINC000003038294 571343851 /nfs/dbraw/zinc/34/38/51/571343851.db2.gz HCNWHOSZPZWLFL-HMAPJEAMSA-N 0 0 366.417 3.723 50 30 FHEARN C=CCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)CS2 ZINC000003042103 571343997 /nfs/dbraw/zinc/34/39/97/571343997.db2.gz NKAIAVBNYAEODH-UHFFFAOYSA-N 0 0 352.459 3.550 50 30 FHEARN N#Cc1ccccc1NC(=O)COC(=O)Cc1ccc(-c2ccccc2)cc1 ZINC000003219247 571345612 /nfs/dbraw/zinc/34/56/12/571345612.db2.gz ZXUJYKZNTNLRTA-UHFFFAOYSA-N 0 0 370.408 3.950 50 30 FHEARN COc1ccc(OCc2nnc(S[C@@H](C)C#N)n2-c2ccccc2)cc1 ZINC000003354673 571348219 /nfs/dbraw/zinc/34/82/19/571348219.db2.gz HIQMVESLIROEFW-AWEZNQCLSA-N 0 0 366.446 3.859 50 30 FHEARN CC(C)=C1Oc2c(ccc3c2[C@H](c2cnn(C(C)C)c2)CC(=O)O3)C1=O ZINC000217644743 571349603 /nfs/dbraw/zinc/34/96/03/571349603.db2.gz GSPMQPVEAKLDAZ-AWEZNQCLSA-N 0 0 352.390 3.774 50 30 FHEARN N#Cc1c2c(sc1NC(=O)c1cc(-c3ccc(O)cc3)on1)CCC2 ZINC000003907806 571353096 /nfs/dbraw/zinc/35/30/96/571353096.db2.gz OOZLOPXCDZODTJ-UHFFFAOYSA-N 0 0 351.387 3.721 50 30 FHEARN C=CCn1cc(C(=O)Nc2cccc(-c3nncn3C)c2)c2ccccc21 ZINC000066318730 571358018 /nfs/dbraw/zinc/35/80/18/571358018.db2.gz DYNUXDVQKAIDPQ-UHFFFAOYSA-N 0 0 357.417 3.875 50 30 FHEARN CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)Cc1ccc(C#N)cc1 ZINC000008238074 571360043 /nfs/dbraw/zinc/36/00/43/571360043.db2.gz MUZUVPXHEXKZCQ-UHFFFAOYSA-N 0 0 363.339 3.527 50 30 FHEARN C[C@@H](C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)n1cncn1 ZINC000079143169 938342907 /nfs/dbraw/zinc/34/29/07/938342907.db2.gz PIIAQEFWEWSHRV-RYUDHWBXSA-N 0 0 357.483 3.562 50 30 FHEARN CN(C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)C1CCCCC1 ZINC000332531363 945227247 /nfs/dbraw/zinc/22/72/47/945227247.db2.gz QJNJLNSQFXRRFP-UHFFFAOYSA-N 0 0 359.445 3.925 50 30 FHEARN C=CCN1c2ccccc2[C@](O)(CC(=O)C=CC=Cc2ccccc2)C1=O ZINC000005824186 942083875 /nfs/dbraw/zinc/08/38/75/942083875.db2.gz SGLAWCKYTLMZBX-CTSWKMDYSA-N 0 0 359.425 3.636 50 30 FHEARN CC(C)n1ncc2c1C[C@H](NC(=O)c1cc(=O)[nH]c3ccc(F)cc31)CC2 ZINC000330169449 942096280 /nfs/dbraw/zinc/09/62/80/942096280.db2.gz WQPNKRXSJKQVSS-CQSZACIVSA-N 0 0 368.412 3.719 50 30 FHEARN CC(C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)C1=C(CCCC1=O)N2 ZINC000005861017 942315937 /nfs/dbraw/zinc/31/59/37/942315937.db2.gz AWPVFTSSMYIHRD-HNNXBMFYSA-N 0 0 367.474 3.835 50 30 FHEARN Cn1nccc1C1CCN(C(=O)Nc2nc3c(s2)CCCC3(C)C)CC1 ZINC000329446321 943694471 /nfs/dbraw/zinc/69/44/71/943694471.db2.gz COXKXVYRFKWEQE-UHFFFAOYSA-N 0 0 373.526 3.916 50 30 FHEARN O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)c[nH]1)[C@@H]1CCn2cncc2C1 ZINC000329510343 943979529 /nfs/dbraw/zinc/97/95/29/943979529.db2.gz MQPGHUDIGUHPAF-HIHZZFLASA-N 0 0 365.481 3.925 50 30 FHEARN N#C[C@@H]1N(C(=O)c2[nH]c3ccccc3c2Cl)CCC[C@]12CCCCO2 ZINC000329845777 944308372 /nfs/dbraw/zinc/30/83/72/944308372.db2.gz LYTZUDPTBCTCSY-HNAYVOBHSA-N 0 0 357.841 3.889 50 30 FHEARN N#Cc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(C#N)c3)cc2)c1 ZINC000000671013 219311706 /nfs/dbraw/zinc/31/17/06/219311706.db2.gz VMXXIZGHSGGNGK-UHFFFAOYSA-N 0 0 366.380 3.935 50 30 FHEARN COc1cc(/C=C2/Sc3ccccc3C2=O)cc(OC)c1OC(C)=O ZINC000000693674 219314193 /nfs/dbraw/zinc/31/41/93/219314193.db2.gz SHAJNCLHIWNGOR-LICLKQGHSA-N 0 0 356.399 3.959 50 30 FHEARN Cc1cccc(NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)n1 ZINC000000708299 219315710 /nfs/dbraw/zinc/31/57/10/219315710.db2.gz HFXPBUCXIVWDKW-UHFFFAOYSA-N 0 0 366.368 3.715 50 30 FHEARN CCN(CC)C(=O)c1sc(NC(=O)c2cccc(C)c2)c(C#N)c1C ZINC000000711834 219316724 /nfs/dbraw/zinc/31/67/24/219316724.db2.gz MYYVGYFZNZCJSO-UHFFFAOYSA-N 0 0 355.463 3.971 50 30 FHEARN CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)s1 ZINC000000728507 219318156 /nfs/dbraw/zinc/31/81/56/219318156.db2.gz VBEXFWRLGWGEFT-HNNXBMFYSA-N 0 0 361.463 3.547 50 30 FHEARN C=CCN1c2ccccc2[C@@](O)(CC(=O)c2cccc3ccccc32)C1=O ZINC000000783759 219320973 /nfs/dbraw/zinc/32/09/73/219320973.db2.gz ZFBPMQWDZPJJKO-QHCPKHFHSA-N 0 0 357.409 3.833 50 30 FHEARN COc1ccc(/C=N/n2c(C)nc3sc4c(c3c2=O)CCCC4)cc1 ZINC000000805444 219323752 /nfs/dbraw/zinc/32/37/52/219323752.db2.gz KCWHDNBXLKIZSH-RGVLZGJSSA-N 0 0 353.447 3.536 50 30 FHEARN O=C1c2ccccc2N[C@@H](c2ccccc2O)N1/N=C/c1ccccc1O ZINC000000849523 219330948 /nfs/dbraw/zinc/33/09/48/219330948.db2.gz AGTQNRSMKCRTKH-CCULFSDZSA-N 0 0 359.385 3.698 50 30 FHEARN Cn1ncc(/N=C/c2ccccc2O)c1C(=O)Nc1cccc(Cl)c1 ZINC000000825416 219327162 /nfs/dbraw/zinc/32/71/62/219327162.db2.gz MUASWDZOHCWOKE-KEBDBYFISA-N 0 0 354.797 3.782 50 30 FHEARN CCN(CC)C(=O)c1sc(NC(=O)Cc2ccccc2)c(C#N)c1C ZINC000000871219 219334695 /nfs/dbraw/zinc/33/46/95/219334695.db2.gz XHHOXHQNUHIHRC-UHFFFAOYSA-N 0 0 355.463 3.591 50 30 FHEARN CCOC(=O)c1sc(NC(=O)c2ccc(OCC)cc2)c(C#N)c1C ZINC000000995665 219351194 /nfs/dbraw/zinc/35/11/94/219351194.db2.gz BAQBJOXXVNYGBH-UHFFFAOYSA-N 0 0 358.419 3.756 50 30 FHEARN COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SC)nn32)cc1 ZINC000000969979 219347259 /nfs/dbraw/zinc/34/72/59/219347259.db2.gz FTFJMVBDKXTHEH-MRXNPFEDSA-N 0 0 370.478 3.667 50 30 FHEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(I)cc2)cc1 ZINC000000970347 219347414 /nfs/dbraw/zinc/34/74/14/219347414.db2.gz UPTYSJVCCLVCPK-OQLLNIDSSA-N 0 0 352.131 3.950 50 30 FHEARN O=C(c1cccs1)C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccccc1 ZINC000000974344 219348940 /nfs/dbraw/zinc/34/89/40/219348940.db2.gz IPFSJOZBWTZJFN-KRWDZBQOSA-N 0 0 362.410 3.926 50 30 FHEARN CCn1ncc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1C ZINC000001019044 219354373 /nfs/dbraw/zinc/35/43/73/219354373.db2.gz RAJBCCDMXPHRLO-WMADIVHISA-N 0 0 354.479 3.921 50 30 FHEARN COC(OC)c1ccc(C#N)c(SCC(=O)c2ccc(Cl)cc2)n1 ZINC000001047967 219358559 /nfs/dbraw/zinc/35/85/59/219358559.db2.gz AASHFFLMTFAAAQ-UHFFFAOYSA-N 0 0 362.838 3.873 50 30 FHEARN Cc1cc(OCC(=O)Nc2ccc(C#N)cc2)cc(C)c1Br ZINC000001160261 219383911 /nfs/dbraw/zinc/38/39/11/219383911.db2.gz IABNWWDAVWEPJA-UHFFFAOYSA-N 0 0 359.223 3.955 50 30 FHEARN O=S(=O)(N/N=C/c1c(O)ccc2ccccc21)c1ccc(Cl)cc1 ZINC000001212526 219389894 /nfs/dbraw/zinc/38/98/94/219389894.db2.gz BTAQNEHVSJWVFI-YBFXNURJSA-N 0 0 360.822 3.511 50 30 FHEARN CC[C@@]1(C)Cc2ccccc2/C(=N\c2c(C)n(C)n(-c3ccccc3)c2=O)N1 ZINC000001212307 219389991 /nfs/dbraw/zinc/38/99/91/219389991.db2.gz HIIJOKALACZHSK-QHCPKHFHSA-N 0 0 374.488 3.877 50 30 FHEARN CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(N)=S)[C@H]2c1ccc(Cl)cc1 ZINC000001235247 219392802 /nfs/dbraw/zinc/39/28/02/219392802.db2.gz YPTKGMHDMJNLDM-ZDUSSCGKSA-N 0 0 362.882 3.553 50 30 FHEARN CC(O)=C1C(=O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1 ZINC000001306637 219393433 /nfs/dbraw/zinc/39/34/33/219393433.db2.gz GHRPBQARUDVBKS-MRXNPFEDSA-N 0 0 372.218 3.938 50 30 FHEARN N#Cc1cc([N+](=O)[O-])ccc1N[C@H](CO)c1c(Cl)cccc1Cl ZINC000225462926 222843152 /nfs/dbraw/zinc/84/31/52/222843152.db2.gz RERURQIZUWGNPM-CQSZACIVSA-N 0 0 352.177 3.919 50 30 FHEARN Cc1nc(SCC(=O)NCc2ccccc2)c(C#N)c2c1CCCC2 ZINC000001471614 219408390 /nfs/dbraw/zinc/40/83/90/219408390.db2.gz CIRMSIFSSDLNJV-UHFFFAOYSA-N 0 0 351.475 3.549 50 30 FHEARN S=C1N=NC(c2cccnc2)N1N=Cc1c(Cl)cccc1Cl ZINC000001475337 219408479 /nfs/dbraw/zinc/40/84/79/219408479.db2.gz NIZJUMVYWLNWPJ-QGMBQPNBSA-N 0 0 350.234 3.818 50 30 FHEARN CC(=O)COc1nc2c(c(C)nn2-c2ccccc2)c(-c2ccco2)c1C#N ZINC000002507055 219447727 /nfs/dbraw/zinc/44/77/27/219447727.db2.gz YYQWGLFCJMXLNE-UHFFFAOYSA-N 0 0 372.384 3.828 50 30 FHEARN C=CCSc1nnc(OC(=O)N(C)C)n1-c1cccc(C(F)(F)F)c1 ZINC000003119858 219488262 /nfs/dbraw/zinc/48/82/62/219488262.db2.gz OFRHFHMZFVIDFT-UHFFFAOYSA-N 0 0 372.372 3.625 50 30 FHEARN CC(C(=O)Nc1nnc(C(F)(F)F)s1)(C(F)(F)F)C(F)(F)F ZINC000003188793 219490983 /nfs/dbraw/zinc/49/09/83/219490983.db2.gz TZUSNVVSSFARCA-UHFFFAOYSA-N 0 0 361.189 3.626 50 30 FHEARN COc1ccc2[nH]c3c(ncn(/N=C/[C@H]4[C@@H](C)C=C(C)C[C@@H]4C)c3=O)c2c1 ZINC000004028804 219535092 /nfs/dbraw/zinc/53/50/92/219535092.db2.gz QTBQTTBAAXXJAQ-ZDYGVUNGSA-N 0 0 364.449 3.959 50 30 biogenic FHEARN CC1(C)CC(=O)C2C(=Nc3nc(-c4ccccc4)nn3[C@H]2c2cccnc2)C1 ZINC000004075120 219539253 /nfs/dbraw/zinc/53/92/53/219539253.db2.gz DIGBTGWZFZNKPY-IBGZPJMESA-N 0 0 371.444 3.998 50 30 FHEARN CC(=O)[C@@H]1[C@H](c2ccccc2F)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N21 ZINC000004179089 219552962 /nfs/dbraw/zinc/55/29/62/219552962.db2.gz AGDKEVSFFHBIQT-QHAWAJNXSA-N 0 0 357.388 3.816 50 30 FHEARN CC[C@@H](C)NC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000004269491 219559707 /nfs/dbraw/zinc/55/97/07/219559707.db2.gz BVWIZCNPWOUSHY-CYBMUJFWSA-N 0 0 352.463 3.674 50 30 FHEARN C=CCN1C(=O)/C(=C\c2cccs2)S/C1=N/c1nnc(CC)s1 ZINC000005178486 219658336 /nfs/dbraw/zinc/65/83/36/219658336.db2.gz ITESGHRJDJVMDV-NLINBEMNSA-N 0 0 362.505 3.952 50 30 FHEARN C=CCNc1nnc(S[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)s1 ZINC000005783890 219698668 /nfs/dbraw/zinc/69/86/68/219698668.db2.gz YJSPPVLCUVPNRS-VXGBXAGGSA-N 0 0 360.508 3.594 50 30 FHEARN Cc1nn(C)c2c1[C@@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000005693103 219694800 /nfs/dbraw/zinc/69/48/00/219694800.db2.gz RKQXQQOGLPMJCZ-LJQANCHMSA-N 0 0 364.493 3.995 50 30 FHEARN COc1cccc(-c2[nH]c3c(C#N)cnn3c2NC2CCCCC2)c1OC ZINC000006768465 219768627 /nfs/dbraw/zinc/76/86/27/219768627.db2.gz XELFMKOPWLIHFK-UHFFFAOYSA-N 0 0 365.437 3.963 50 30 FHEARN COc1ccc(Br)cc1/C=N/c1ccc2c(c1)nc(CO)n2C ZINC000006740817 219764718 /nfs/dbraw/zinc/76/47/18/219764718.db2.gz LTIDMUFKWVECPI-DJKKODMXSA-N 0 0 374.238 3.587 50 30 FHEARN Cc1nc(S[C@@H](C(=O)NC2CC2)c2ccccc2)c(C#N)c(C)c1C ZINC000006980739 219785154 /nfs/dbraw/zinc/78/51/54/219785154.db2.gz AOXULSSFHVWZQE-GOSISDBHSA-N 0 0 351.475 3.991 50 30 FHEARN Cc1nc(S[C@H](C(=O)NC2CC2)c2ccccc2)c(C#N)c(C)c1C ZINC000006980737 219785303 /nfs/dbraw/zinc/78/53/03/219785303.db2.gz AOXULSSFHVWZQE-SFHVURJKSA-N 0 0 351.475 3.991 50 30 FHEARN CCN(CC)c1ccc(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000007333652 219800689 /nfs/dbraw/zinc/80/06/89/219800689.db2.gz HOOPOKHZJSKZKB-YRNVUSSQSA-N 0 0 350.418 3.760 50 30 FHEARN N#Cc1cccc(NCC(=O)Nc2ccccc2C(=O)c2ccccc2)c1 ZINC000007974271 219836032 /nfs/dbraw/zinc/83/60/32/219836032.db2.gz PRAKFCAYGKGVEB-UHFFFAOYSA-N 0 0 355.397 3.840 50 30 FHEARN Cc1cc(C)cc(N(CCC#N)C(=O)CSC(=S)N2CCCC2)c1 ZINC000008075499 219844866 /nfs/dbraw/zinc/84/48/66/219844866.db2.gz AHDCJNPEPIUPLU-UHFFFAOYSA-N 0 0 361.536 3.664 50 30 FHEARN CC(C)(C)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O ZINC000009304534 219877391 /nfs/dbraw/zinc/87/73/91/219877391.db2.gz JHWWCIJFVBOHQY-NVMNQCDNSA-N 0 0 366.369 3.983 50 30 FHEARN Cc1cc(C=O)c(C)n1N(Cc1ccccc1C#N)C(=O)c1ccccc1 ZINC000009324270 219878166 /nfs/dbraw/zinc/87/81/66/219878166.db2.gz HYHDTHSARWKLEM-UHFFFAOYSA-N 0 0 357.413 3.768 50 30 FHEARN N#Cc1cccc(NC(=O)N2CCC([C@H](O)CCc3ccccc3)CC2)c1 ZINC000299797210 223101992 /nfs/dbraw/zinc/10/19/92/223101992.db2.gz MPSGPUVQQDHTPN-OAQYLSRUSA-N 0 0 363.461 3.796 50 30 FHEARN C[C@@H](Sc1cccc[n+]1[O-])C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000011205607 219916841 /nfs/dbraw/zinc/91/68/41/219916841.db2.gz NPQSBBNLLMYRAH-QFGUUYLXSA-N 0 0 354.475 3.681 50 30 FHEARN O=C(Nc1cc(Cl)ccc1Cl)[C@H]1Cc2ccccc2O/C1=N\O ZINC000012471382 220000559 /nfs/dbraw/zinc/00/05/59/220000559.db2.gz IPMAWLXLSHXEHL-IJAAGYKOSA-N 0 0 351.189 3.971 50 30 FHEARN O=S(=O)(N=C(Nc1ccccn1)c1ccccc1)c1ccc(Cl)cc1 ZINC000012513962 220001440 /nfs/dbraw/zinc/00/14/40/220001440.db2.gz DJSDXNGVCOPHHQ-UHFFFAOYSA-N 0 0 371.849 3.983 50 30 FHEARN COc1ccc2c(C)cc3nnc(SC[C@H](C#N)CCC#N)n3c2c1 ZINC000012544064 220005651 /nfs/dbraw/zinc/00/56/51/220005651.db2.gz XIWSEWVDPDLWKP-ZDUSSCGKSA-N 0 0 351.435 3.735 50 30 FHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)COC(=O)/C=C/c3ccco3)sc2C1 ZINC000012604156 220013959 /nfs/dbraw/zinc/01/39/59/220013959.db2.gz OZHXCKKWLNOJJH-HOSRBBHYSA-N 0 0 370.430 3.533 50 30 FHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000012621818 220014106 /nfs/dbraw/zinc/01/41/06/220014106.db2.gz WZDKHISQLUOALE-SJCJKPOMSA-N 0 0 356.422 3.818 50 30 FHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000012621816 220014312 /nfs/dbraw/zinc/01/43/12/220014312.db2.gz WZDKHISQLUOALE-SJKOYZFVSA-N 0 0 356.422 3.818 50 30 FHEARN N#Cc1cccc(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)c1 ZINC000012887235 220039178 /nfs/dbraw/zinc/03/91/78/220039178.db2.gz JMMBKPLVHLVNCF-UHFFFAOYSA-N 0 0 357.816 3.954 50 30 FHEARN CCc1nc(C)c(C#N)c(SCC(=O)N(CC)c2ccccc2C)n1 ZINC000012848540 220034855 /nfs/dbraw/zinc/03/48/55/220034855.db2.gz NNCKLWBCNNRTBN-UHFFFAOYSA-N 0 0 354.479 3.673 50 30 FHEARN COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000012976612 220047303 /nfs/dbraw/zinc/04/73/03/220047303.db2.gz LNAQTLDBZZJBTB-YWZLYKJASA-N 0 0 350.418 3.698 50 30 FHEARN COc1ccc([C@H]2CCCN2C(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1 ZINC000012976614 220047466 /nfs/dbraw/zinc/04/74/66/220047466.db2.gz LNAQTLDBZZJBTB-MGPUTAFESA-N 0 0 350.418 3.698 50 30 FHEARN C/C(=N\N)c1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1 ZINC000013475802 220069564 /nfs/dbraw/zinc/06/95/64/220069564.db2.gz VEYLEJHLEIWGBG-UFFVCSGVSA-N 0 0 356.223 3.640 50 30 FHEARN COc1cc(OC)c([C@@H]2c3c(C)noc3NC3=C2C(=O)CCC3)cc1OC ZINC000013691247 220087210 /nfs/dbraw/zinc/08/72/10/220087210.db2.gz ZPAXSTJJMCGASX-GOSISDBHSA-N 0 0 370.405 3.573 50 30 FHEARN N#CCc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)cc1 ZINC000014236319 220118256 /nfs/dbraw/zinc/11/82/56/220118256.db2.gz SRXDVKOLFNXUFA-UHFFFAOYSA-N 0 0 360.392 3.818 50 30 FHEARN N#Cc1cccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)c1 ZINC000014245463 220120468 /nfs/dbraw/zinc/12/04/68/220120468.db2.gz FDYORYGSGVRWKI-UHFFFAOYSA-N 0 0 364.829 3.704 50 30 FHEARN COc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc(Cl)c1O ZINC000015011736 220141648 /nfs/dbraw/zinc/14/16/48/220141648.db2.gz KYHLHALXRRGNDS-NTEUORMPSA-N 0 0 360.822 3.946 50 30 FHEARN O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1ccccn1 ZINC000015015628 220140992 /nfs/dbraw/zinc/14/09/92/220140992.db2.gz BEGDHNXENGSYAE-LCYFTJDESA-N 0 0 360.236 3.736 50 30 FHEARN O=C(C#Cc1ccccc1)N1CCC(CO)(Cc2ccccc2Cl)CC1 ZINC000015069172 220143711 /nfs/dbraw/zinc/14/37/11/220143711.db2.gz ZXUSFILWTPMXLL-UHFFFAOYSA-N 0 0 367.876 3.535 50 30 FHEARN O=S(=O)(N/N=C\c1c(O)ccc2ccccc21)c1ccc(Cl)cc1 ZINC000015938751 220172010 /nfs/dbraw/zinc/17/20/10/220172010.db2.gz BTAQNEHVSJWVFI-ODLFYWEKSA-N 0 0 360.822 3.511 50 30 FHEARN Cc1ccc(C[C@H](C#N)N2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000016699254 220192481 /nfs/dbraw/zinc/19/24/81/220192481.db2.gz YJLXTXICFGPSFF-GOSISDBHSA-N 0 0 367.880 3.541 50 30 FHEARN O=C1C[C@H](c2cccc(Cl)c2)CC2=Nc3ncnn3[C@@H](c3ccco3)C12 ZINC000016996467 220201087 /nfs/dbraw/zinc/20/10/87/220201087.db2.gz PQHRQKQFDLZTQA-XIKOKIGWSA-N 0 0 366.808 3.940 50 30 FHEARN O=C1N/C(=N\c2ccccc2)S[C@@H]1Cc1ccc(Br)cc1 ZINC000017178117 220208674 /nfs/dbraw/zinc/20/86/74/220208674.db2.gz VZJMHUKHRBRCNH-CQSZACIVSA-N 0 0 361.264 3.911 50 30 FHEARN C[C@@H]1C[C@H](C)CN(/C(=N/S(=O)(=O)c2ccc(F)cc2)c2ccccc2)C1 ZINC000017888402 220218667 /nfs/dbraw/zinc/21/86/67/220218667.db2.gz YTMXFXCIRZRDAL-HWGJHUBPSA-N 0 0 374.481 3.939 50 30 FHEARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3ccccc3F)C12 ZINC000018197377 220227681 /nfs/dbraw/zinc/22/76/81/220227681.db2.gz UYKUWYUJIRPQRY-BBATYDOGSA-N 0 0 366.421 3.894 50 30 FHEARN COc1cc2c(cc1OC)[C@H](c1cccc(O)c1)C1=C(CCCC1=O)N2 ZINC000018197215 220228224 /nfs/dbraw/zinc/22/82/24/220228224.db2.gz WCPJBEKMEYORIC-FQEVSTJZSA-N 0 0 351.402 3.974 50 30 FHEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH][nH]c(=O)c1[C@@H]2c1ccnc2ccccc21 ZINC000018200763 220228400 /nfs/dbraw/zinc/22/84/00/220228400.db2.gz HFGURFLSVGKEPR-MRXNPFEDSA-N 0 0 360.417 3.864 50 30 FHEARN COC(=O)c1cn(CC(=O)Nc2sc(C)c(C)c2C#N)c2ccccc12 ZINC000019295224 220249663 /nfs/dbraw/zinc/24/96/63/220249663.db2.gz QNHVLCZRVLEFNW-UHFFFAOYSA-N 0 0 367.430 3.617 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccn1 ZINC000019761314 220294499 /nfs/dbraw/zinc/29/44/99/220294499.db2.gz SEDUCHOIUKMEMK-KSFYIVLOSA-N 0 0 374.440 3.616 50 30 FHEARN COc1cccc(-c2cc(-c3cc(OC)ccc3OC)nc(N)c2C#N)c1 ZINC000019804655 220298268 /nfs/dbraw/zinc/29/82/68/220298268.db2.gz XBPJEJQIHZPHHO-UHFFFAOYSA-N 0 0 361.401 3.895 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cccc(F)c1 ZINC000019848527 220301907 /nfs/dbraw/zinc/30/19/07/220301907.db2.gz TZVJWDMIPZXXJR-GOSISDBHSA-N 0 0 363.388 3.957 50 30 FHEARN CCCOc1nc(N)c(C#N)c(-c2ccc(Br)cc2)c1C#N ZINC000019862835 220303238 /nfs/dbraw/zinc/30/32/38/220303238.db2.gz IHMDCQVPVOFZIR-UHFFFAOYSA-N 0 0 357.211 3.625 50 30 FHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccncc1 ZINC000019867139 220303654 /nfs/dbraw/zinc/30/36/54/220303654.db2.gz QLHWMZAMVJTKST-SFHVURJKSA-N 0 0 354.450 3.639 50 30 FHEARN C=CCn1c2ccccc2n(C[C@@H](O)COc2ccc(Cl)c(C)c2)c1=N ZINC000019943253 220306906 /nfs/dbraw/zinc/30/69/06/220306906.db2.gz ZIKPVSNOPRUNTD-OAHLLOKOSA-N 0 0 371.868 3.510 50 30 FHEARN Cc1c2sc3c(c2nc(N)c1C#N)[C@H](c1ccccc1F)CC(=O)N3 ZINC000020029529 220308359 /nfs/dbraw/zinc/30/83/59/220308359.db2.gz JPCGBHOAFKVTOZ-JTQLQIEISA-N 0 0 352.394 3.672 50 30 FHEARN CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 ZINC000020028808 220308671 /nfs/dbraw/zinc/30/86/71/220308671.db2.gz XMLVJBHHFAJVSH-HXUWFJFHSA-N 0 0 368.452 3.806 50 30 FHEARN C=CCN1C(=O)[C@]([N-]c2[nH+]cccc2C)(C(F)(F)F)N=C1c1ccccc1 ZINC000020676359 220339609 /nfs/dbraw/zinc/33/96/09/220339609.db2.gz RKRWPKUQRRPRPF-GOSISDBHSA-N 0 0 374.366 3.536 50 30 FHEARN COc1ccc(-n2c(Nc3ccc(CC#N)cc3)c3[nH]cccc-3c2=O)cc1 ZINC000021106262 220350146 /nfs/dbraw/zinc/35/01/46/220350146.db2.gz ASRYZOZIVYLKRG-NRFANRHFSA-N 0 0 370.412 3.927 50 30 FHEARN N#Cc1cccc(NC(=O)COC(=O)c2cc(Cl)sc2Cl)c1 ZINC000021630714 220361238 /nfs/dbraw/zinc/36/12/38/220361238.db2.gz BEAGLIZDSOOZBF-UHFFFAOYSA-N 0 0 355.202 3.722 50 30 FHEARN C=CCN1c2c(cccc2C)[C@@]2(CC(=O)Nc3c2cnn3C(C)(C)C)C1=O ZINC000032094612 220654622 /nfs/dbraw/zinc/65/46/22/220654622.db2.gz MPDZJWHFTCHYCE-OAQYLSRUSA-N 0 0 364.449 3.757 50 30 FHEARN N#Cc1ccc(C(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc1 ZINC000035399391 220782729 /nfs/dbraw/zinc/78/27/29/220782729.db2.gz KZWWXEPDHKWIIB-UHFFFAOYSA-N 0 0 368.440 3.906 50 30 FHEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(O)c(C)c2)C1=O ZINC000036257382 220811726 /nfs/dbraw/zinc/81/17/26/220811726.db2.gz CKWMUKAUUJFQIK-LFIBNONCSA-N 0 0 367.426 3.854 50 30 FHEARN N#CCOc1ccc(NC(=O)c2cnn3c2nccc3-c2ccccc2)cc1 ZINC000040145073 220887976 /nfs/dbraw/zinc/88/79/76/220887976.db2.gz ZOKOIHDFSABWOU-UHFFFAOYSA-N 0 0 369.384 3.551 50 30 FHEARN N#Cc1ccccc1N1CCCN(C(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000046850431 220986243 /nfs/dbraw/zinc/98/62/43/220986243.db2.gz BLIROEIGOQKXID-UHFFFAOYSA-N 0 0 372.428 3.566 50 30 FHEARN COc1cc(OC)c(NC(=O)Cn2cc(C#N)c3ccccc32)cc1Cl ZINC000051319083 221035952 /nfs/dbraw/zinc/03/59/52/221035952.db2.gz MDHBDIQBEWFDSL-UHFFFAOYSA-N 0 0 369.808 3.822 50 30 FHEARN C[C@@H](OC(=O)C=C(C1CC1)C1CC1)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000052150684 221036452 /nfs/dbraw/zinc/03/64/52/221036452.db2.gz QUIIWNIRJIQLLX-LLVKDONJSA-N 0 0 370.474 3.725 50 30 FHEARN N#CC1(NC(=O)CN2CCCC[C@@H]2c2nc3ccccc3s2)CCCC1 ZINC000058160463 221100822 /nfs/dbraw/zinc/10/08/22/221100822.db2.gz ZLDCCYMONAZXGT-MRXNPFEDSA-N 0 0 368.506 3.776 50 30 FHEARN C=CCO[C@H](C)C(=O)Nc1nc(-c2ccc([C@H](C)NC(C)=O)cc2)cs1 ZINC000058218495 221109267 /nfs/dbraw/zinc/10/92/67/221109267.db2.gz GBYYLEGWFURSOB-QWHCGFSZSA-N 0 0 373.478 3.537 50 30 FHEARN CN1C(=O)/C(=C2/C(=O)Nc3ccccc32)S/C1=N/c1ccc(Cl)cc1 ZINC000061869322 221135366 /nfs/dbraw/zinc/13/53/66/221135366.db2.gz BQFSPZWMEVVSOB-XHDMRECYSA-N 0 0 369.833 3.896 50 30 FHEARN C#CCN(Cc1ccco1)C(=O)Nc1cc2c(cc1Cl)OCCCO2 ZINC000063390205 221142453 /nfs/dbraw/zinc/14/24/53/221142453.db2.gz GIAYETXUJBOBOL-UHFFFAOYSA-N 0 0 360.797 3.762 50 30 FHEARN CSc1ncc(C(=O)N(C)c2cccc(C#N)c2)n1-c1ccc(F)cc1 ZINC000063325382 221142516 /nfs/dbraw/zinc/14/25/16/221142516.db2.gz RWUKYROKXKPOPO-UHFFFAOYSA-N 0 0 366.421 3.882 50 30 FHEARN Cc1ccc2c(C(=O)N3CCC[C@H](C#N)C3)cc(-c3cncnc3)nc2c1C ZINC000063855721 221143307 /nfs/dbraw/zinc/14/33/07/221143307.db2.gz GBKKGYSEIXLJOR-MRXNPFEDSA-N 0 0 371.444 3.684 50 30 FHEARN C#Cc1cccc(NC(=O)[C@H](C)n2c(-c3cccs3)n[nH]c2=S)c1 ZINC000064335701 221146312 /nfs/dbraw/zinc/14/63/12/221146312.db2.gz ASLMRHWDKAAFBZ-NSHDSACASA-N 0 0 354.460 3.850 50 30 FHEARN Cc1ccc(-c2noc(C3CCN(C(=O)c4ccc(C#N)cc4)CC3)n2)cc1 ZINC000064818219 221152425 /nfs/dbraw/zinc/15/24/25/221152425.db2.gz TZXSNNIBGAKHCZ-UHFFFAOYSA-N 0 0 372.428 3.937 50 30 FHEARN CCCCn1nc(C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1=O ZINC000065453248 221220278 /nfs/dbraw/zinc/22/02/78/221220278.db2.gz FTDCRTSBCAKEIO-CQSZACIVSA-N 0 0 370.478 3.690 50 30 FHEARN COc1cc(-c2cc(-c3cc(C(C)(C)C)[nH]n3)c(C#N)c(N)n2)ccc1O ZINC000067692796 221272383 /nfs/dbraw/zinc/27/23/83/221272383.db2.gz GOWNRUNIFYTHCM-UHFFFAOYSA-N 0 0 363.421 3.604 50 30 FHEARN Cc1c(-c2cnn(C)c2)nc(N)c(C#N)c1-c1ccc(-c2ccccn2)cc1 ZINC000071749873 221360369 /nfs/dbraw/zinc/36/03/69/221360369.db2.gz AYTOIEBLADRECV-UHFFFAOYSA-N 0 0 366.428 3.973 50 30 FHEARN C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CCC(=O)O1 ZINC000071770798 221374165 /nfs/dbraw/zinc/37/41/65/221374165.db2.gz RDDQRQGYXUOWAV-PIJLBNDASA-N 0 0 356.462 3.773 50 30 FHEARN COCCn1cc(-c2cc(-c3cccnc3)c(C#N)c(N)n2)c2ccccc21 ZINC000071775512 221375597 /nfs/dbraw/zinc/37/55/97/221375597.db2.gz VIBUVAWFLQJJBO-UHFFFAOYSA-N 0 0 369.428 3.866 50 30 FHEARN C[C@H]1CN(c2ccccc2C#N)C(=O)CN1Cc1ccc2ccccc2c1 ZINC000082167222 132197606 /nfs/dbraw/zinc/19/76/06/132197606.db2.gz DYBDMBWBENLYDP-KRWDZBQOSA-N 0 0 355.441 3.949 50 30 FHEARN N#Cc1cc(F)c(N2CCC[C@H](c3nnc4n3CCCCC4)C2)c(F)c1 ZINC000089762083 132200236 /nfs/dbraw/zinc/20/02/36/132200236.db2.gz HHSBAKDBWDHTGU-AWEZNQCLSA-N 0 0 357.408 3.538 50 30 FHEARN C=CCN1c2ccc(C(=O)NCCCC)cc2-c2ccccc2S1(=O)=O ZINC000033271938 132374335 /nfs/dbraw/zinc/37/43/35/132374335.db2.gz IAEZVQZCTXKIJR-UHFFFAOYSA-N 0 0 370.474 3.578 50 30 FHEARN O=C1CCCC2=C1[C@H](c1cccc([N+](=O)[O-])c1)NC(=O)N2c1ccccc1 ZINC000003203688 132384903 /nfs/dbraw/zinc/38/49/03/132384903.db2.gz VTKFROIUIDRZBK-IBGZPJMESA-N 0 0 363.373 3.873 50 30 FHEARN C=CCN1c2cc(C(=O)NCc3ccc(C)cc3)ccc2SCC1=O ZINC000003040919 132874215 /nfs/dbraw/zinc/87/42/15/132874215.db2.gz KRIVMNYESUHCJI-UHFFFAOYSA-N 0 0 352.459 3.550 50 30 FHEARN N#Cc1ccc(NC(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)cc1 ZINC000040128410 136119388 /nfs/dbraw/zinc/11/93/88/136119388.db2.gz TXPHSYCLOMCDKJ-CQSZACIVSA-N 0 0 374.366 3.827 50 30 FHEARN N#Cc1nc(-c2ccccc2F)oc1N1CCN(c2ccc(F)cc2)CC1 ZINC000334161357 136151599 /nfs/dbraw/zinc/15/15/99/136151599.db2.gz AJLVPWJRJUAJLD-UHFFFAOYSA-N 0 0 366.371 3.818 50 30 FHEARN N#Cc1cccc(NC(=O)N2CCC[C@H]2c2nc(-c3ccccc3)no2)c1 ZINC000077394468 221618352 /nfs/dbraw/zinc/61/83/52/221618352.db2.gz PVCKMEYMCYLCLI-KRWDZBQOSA-N 0 0 359.389 3.977 50 30 FHEARN N#C[C@@H](c1ccccc1)N1CCN(C(=O)Nc2ccccc2Cl)CC1 ZINC000095408918 221899641 /nfs/dbraw/zinc/89/96/41/221899641.db2.gz AGFXKVZQVVNUND-SFHVURJKSA-N 0 0 354.841 3.754 50 30 FHEARN N#Cc1cccnc1OC1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 ZINC000096102846 222023796 /nfs/dbraw/zinc/02/37/96/222023796.db2.gz NIUXFGYICBFHQL-BQYQJAHWSA-N 0 0 367.836 3.690 50 30 FHEARN N#Cc1cccc(C(=O)NCc2ccc(C(=O)c3ccsc3)s2)c1 ZINC000096119830 222033941 /nfs/dbraw/zinc/03/39/41/222033941.db2.gz COMVYVVDFLZJEL-UHFFFAOYSA-N 0 0 352.440 3.842 50 30 FHEARN O=S(=O)(/N=C(/N1CCCCC1)C(Cl)(Cl)Cl)c1ccccc1 ZINC000096318689 222114150 /nfs/dbraw/zinc/11/41/50/222114150.db2.gz NXFZSGDXXKHWPR-SFQUDFHCSA-N 0 0 369.701 3.630 50 30 FHEARN CCOc1cc(/C=C2/Cn3cccc3C2=O)cc(Br)c1OC ZINC000096941986 222144689 /nfs/dbraw/zinc/14/46/89/222144689.db2.gz IDLDDKCUTMYQSM-GHXNOFRVSA-N 0 0 362.223 3.938 50 30 FHEARN CCOC(=O)C1=C(Nc2ccccc2)OC(=Cc2cc(F)ccc2F)C1=O ZINC000097152268 222164872 /nfs/dbraw/zinc/16/48/72/222164872.db2.gz VVXGGZWAGQZDCV-LFIBNONCSA-N 0 0 371.339 3.792 50 30 FHEARN COc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc(Cl)c1O ZINC000097964068 222217864 /nfs/dbraw/zinc/21/78/64/222217864.db2.gz PKNXGFKNGSFIRZ-SRZZPIQSSA-N 0 0 371.824 3.603 50 30 FHEARN C[C@@H]1/C(=N\O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000100220422 222239455 /nfs/dbraw/zinc/23/94/55/222239455.db2.gz LFGUOKSONBHVJF-UTQSGNFESA-N 0 0 370.365 3.745 50 30 FHEARN CN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)S/C1=N/c1ccccc1 ZINC000100264076 222240861 /nfs/dbraw/zinc/24/08/61/222240861.db2.gz GGSYHZSDFMRETD-OBAOGOGRSA-N 0 0 373.865 3.930 50 30 FHEARN Cc1cc(=O)oc2c3c(ccc12)O/C(=N/Nc1ccc(Cl)cc1)C3=O ZINC000100499335 222244802 /nfs/dbraw/zinc/24/48/02/222244802.db2.gz LQPSSVIXZLNRGF-DYTRJAOYSA-N 0 0 354.749 3.756 50 30 FHEARN C=CCOc1ccccc1CN1c2c(cc(C)cc2C)[C@H](NC(C)=O)C1=O ZINC000100485635 222245819 /nfs/dbraw/zinc/24/58/19/222245819.db2.gz NLJKJBBLSLDCBD-FQEVSTJZSA-N 0 0 364.445 3.592 50 30 FHEARN CC(C)c1ccc2c(c1)C(=NNC(=S)NCCc1ccccc1)C(=O)N2 ZINC000103312989 222333570 /nfs/dbraw/zinc/33/35/70/222333570.db2.gz UQTIALQCXZNMKU-UHFFFAOYSA-N 0 0 366.490 3.823 50 30 FHEARN CCCCCCCCn1cnc2c3c(sc2c1=O)SCC(=O)N3 ZINC000101411685 222273621 /nfs/dbraw/zinc/27/36/21/222273621.db2.gz VEOBGJJAYNVUAY-UHFFFAOYSA-N 0 0 351.497 3.863 50 30 FHEARN Cc1cc(C)n(/N=C/c2ccccc2OCc2ccccc2)c(=O)c1C#N ZINC000000672441 263141387 /nfs/dbraw/zinc/14/13/87/263141387.db2.gz OKPAUHDEFYFYDQ-ZVHZXABRSA-N 0 0 357.413 3.798 50 30 FHEARN CCCCN(CCCC)S(=O)(=O)c1nc(C)c(Cl)c(C)c1C#N ZINC000003619057 263330696 /nfs/dbraw/zinc/33/06/96/263330696.db2.gz MYCJHYBHXQAKBJ-UHFFFAOYSA-N 0 0 357.907 3.814 50 30 FHEARN C=CCOc1cccc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)c1 ZINC000004611325 263335245 /nfs/dbraw/zinc/33/52/45/263335245.db2.gz VCDFVAHLQRTGBQ-BOPFTXTBSA-N 0 0 364.357 3.813 50 30 FHEARN O=C(/C=C/c1cc(Br)cs1)c1ccc2c(c1)NC(=O)CO2 ZINC000005335841 263340146 /nfs/dbraw/zinc/34/01/46/263340146.db2.gz SPNRVOWZNLGXMQ-NSCUHMNNSA-N 0 0 364.220 3.738 50 30 FHEARN COC(=O)[C@H](Cc1ccccc1)NC(C)=CC(=O)c1ccc(Cl)cc1 ZINC000006550620 263345902 /nfs/dbraw/zinc/34/59/02/263345902.db2.gz CCCJQFBPCMUUOO-SZEUEKNRSA-N 0 0 357.837 3.800 50 30 FHEARN C=CCn1c(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)nnc1-c1ccccc1 ZINC000009189716 263360410 /nfs/dbraw/zinc/36/04/10/263360410.db2.gz RDFFTXVOAZTDIE-HZPDHXFCSA-N 0 0 370.522 3.728 50 30 FHEARN Cc1ccc(NC(=NOCc2ccccc2Cl)c2nonc2N)cc1 ZINC000012436458 263370685 /nfs/dbraw/zinc/37/06/85/263370685.db2.gz ZWXUATONCAHTEN-UHFFFAOYSA-N 0 0 357.801 3.604 50 30 FHEARN COc1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)C)ccc3C2=O)cc1 ZINC000012401620 263371105 /nfs/dbraw/zinc/37/11/05/263371105.db2.gz JZVNUPHKNLASQE-GRSHGNNSSA-N 0 0 368.385 3.642 50 30 biogenic,in-vitro FHEARN C#CCO[S@](=O)O[C@H]1CCCC[C@@H]1Oc1ccc(C(C)(C)C)cc1 ZINC000002038703 518315624 /nfs/dbraw/zinc/31/56/24/518315624.db2.gz ZYHMJXZULPZUED-LLJLJFOGSA-N 0 0 350.480 3.919 50 30 in-vitro FHEARN C=C(C)COc1ccc(C(=O)N(CC)Cc2noc(C3CCC3)n2)cc1 ZINC000055133725 518612907 /nfs/dbraw/zinc/61/29/07/518612907.db2.gz SSZFOCRGFUPLEH-UHFFFAOYSA-N 0 0 355.438 3.954 50 30 FHEARN C=C(C)COc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000007499528 518614036 /nfs/dbraw/zinc/61/40/36/518614036.db2.gz PHYBXLBCZLPXFH-UHFFFAOYSA-N 0 0 366.461 3.613 50 30 FHEARN C=C(C)COc1ccccc1C(=O)N(Cc1c(C)nn(C)c1C)C1CC1 ZINC000055088833 518620395 /nfs/dbraw/zinc/62/03/95/518620395.db2.gz RGHRUKRKTADOBY-UHFFFAOYSA-N 0 0 353.466 3.797 50 30 FHEARN C=CCN(CC(=O)Nc1sccc1C#N)Cc1ccc(Cl)s1 ZINC000008164312 518759520 /nfs/dbraw/zinc/75/95/20/518759520.db2.gz RMRKOBPNZOVDRP-UHFFFAOYSA-N 0 0 351.884 3.961 50 30 FHEARN C=CCN(Cc1ccc(Cl)s1)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000008163293 518781201 /nfs/dbraw/zinc/78/12/01/518781201.db2.gz SYGNXUYDXKPYOD-UHFFFAOYSA-N 0 0 359.882 3.906 50 30 FHEARN C=CCN(Cc1cccc(OC)c1)C(=O)c1cccc(-c2noc(C)n2)c1 ZINC000055284802 518784922 /nfs/dbraw/zinc/78/49/22/518784922.db2.gz LMWRFQDZUNNQQE-UHFFFAOYSA-N 0 0 363.417 3.882 50 30 FHEARN C=CCN1c2ccc(Cl)cc2[C@@](O)(CC(=O)c2ccc(C)s2)C1=O ZINC000005429217 518875739 /nfs/dbraw/zinc/87/57/39/518875739.db2.gz ZZGQHBUDRJGRJI-SFHVURJKSA-N 0 0 361.850 3.703 50 30 FHEARN C=CCNC(=O)[C@H](C)Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 ZINC000007837312 518926670 /nfs/dbraw/zinc/92/66/70/518926670.db2.gz QTQUUQOEJYLHBZ-MNOVXSKESA-N 0 0 363.508 3.706 50 30 FHEARN C=CCNc1nnc(S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)s1 ZINC000005783904 518968227 /nfs/dbraw/zinc/96/82/27/518968227.db2.gz YJSPPVLCUVPNRS-RYUDHWBXSA-N 0 0 360.508 3.594 50 30 FHEARN C=CCOc1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1OCC ZINC000055383136 519024263 /nfs/dbraw/zinc/02/42/63/519024263.db2.gz YIGUPIKGMOSYIG-UHFFFAOYSA-N 0 0 352.434 3.850 50 30 FHEARN C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccco1 ZINC000008744571 519209258 /nfs/dbraw/zinc/20/92/58/519209258.db2.gz QJUZYNWSNCHYJJ-UONOGXRCSA-N 0 0 360.483 3.511 50 30 FHEARN C=CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccco1 ZINC000008744568 519211088 /nfs/dbraw/zinc/21/10/88/519211088.db2.gz QJUZYNWSNCHYJJ-KGLIPLIRSA-N 0 0 360.483 3.511 50 30 FHEARN C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1ccco1 ZINC000002336063 519216246 /nfs/dbraw/zinc/21/62/46/519216246.db2.gz BJCWYBPZDRUVRC-UHFFFAOYSA-N 0 0 354.435 3.763 50 30 FHEARN C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1ccco1 ZINC000002195033 519222781 /nfs/dbraw/zinc/22/27/81/519222781.db2.gz YDHQQXCPLWXQKR-UHFFFAOYSA-N 0 0 354.435 3.763 50 30 FHEARN CC(=NO)c1ccc(N=C2C(=O)Nc3ccc(Br)cc32)cc1 ZINC000245240533 519351398 /nfs/dbraw/zinc/35/13/98/519351398.db2.gz ZNXYMEVBZWGVTR-UHFFFAOYSA-N 0 0 358.195 3.720 50 30 FHEARN CC(=NN1CCN(c2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000244633609 519351928 /nfs/dbraw/zinc/35/19/28/519351928.db2.gz GFUVCRKEKDTQLI-UHFFFAOYSA-N 0 0 358.829 3.794 50 30 FHEARN CC(=O)/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)OC(C)C ZINC000003182007 519353438 /nfs/dbraw/zinc/35/34/38/519353438.db2.gz KVMGXKOHIGBNEF-CPNJWEJPSA-N 0 0 352.386 3.830 50 30 FHEARN CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O ZINC000005163057 519747301 /nfs/dbraw/zinc/74/73/01/519747301.db2.gz KTUGLPUSSRUXRG-NVMNQCDNSA-N 0 0 356.349 3.772 50 30 FHEARN CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@@H]3CC[C@]21C ZINC000253501774 519758285 /nfs/dbraw/zinc/75/82/85/519758285.db2.gz QXTWZEGENLVVRE-PTROGCMSSA-N 0 0 368.473 3.961 50 30 FHEARN CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O ZINC000101662302 520068226 /nfs/dbraw/zinc/06/82/26/520068226.db2.gz CHAYZVUBOBGAQY-NRFANRHFSA-N 0 0 373.497 3.913 50 30 FHEARN CCCCCS(=O)(=O)N1C(=O)[C@@H](CC)S/C1=N\c1ccccc1 ZINC000016043893 520267352 /nfs/dbraw/zinc/26/73/52/520267352.db2.gz KSSAKXGTVJGHIO-UPTRSRDDSA-N 0 0 354.497 3.548 50 30 FHEARN CCCOc1ccc(/C=C\C(=O)c2ccc3c(c2)NC(=O)CO3)cc1OC ZINC000096920162 520321505 /nfs/dbraw/zinc/32/15/05/520321505.db2.gz FOVOUIKODUVQPH-DAXSKMNVSA-N 0 0 367.401 3.711 50 30 FHEARN CCOc1cc(/C=C\C(=O)c2ccc(N3CCOC3=O)cc2)ccc1OC ZINC000096133974 520636990 /nfs/dbraw/zinc/63/69/90/520636990.db2.gz JSUZIMJJSIOTNI-WMZJFQQLSA-N 0 0 367.401 3.947 50 30 FHEARN CCOc1cc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)ccc1O ZINC000019849093 520640354 /nfs/dbraw/zinc/64/03/54/520640354.db2.gz BYYITHJVOACMMM-HYARGMPZSA-N 0 0 373.884 3.596 50 30 FHEARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O ZINC000009484068 521034483 /nfs/dbraw/zinc/03/44/83/521034483.db2.gz RSYNULOPSOHJAQ-HIPMGEKLSA-N 0 0 356.349 3.772 50 30 FHEARN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C\c2ccc(OC)c(OC)c2)c1C ZINC000096843714 521358496 /nfs/dbraw/zinc/35/84/96/521358496.db2.gz MBMKDHZMMITICX-CLFYSBASSA-N 0 0 357.406 3.722 50 30 FHEARN CCCCn1nc(C)c(/C=C/C(=O)c2ccc3c(c2)NC(=O)CO3)c1Cl ZINC000007333721 521396887 /nfs/dbraw/zinc/39/68/87/521396887.db2.gz UAJYTEQPTULHFP-VOTSOKGWSA-N 0 0 373.840 3.872 50 30 FHEARN COC(C)(C)CCC[C@@](C)(O)C#CCN1CCCC[C@@H]1c1cccnc1 ZINC000095346027 522472836 /nfs/dbraw/zinc/47/28/36/522472836.db2.gz UBZDIWVELVGWPC-IFMALSPDSA-N 0 0 358.526 3.958 50 30 FHEARN CCc1sc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1C ZINC000039579853 523076942 /nfs/dbraw/zinc/07/69/42/523076942.db2.gz VBJSYNUAAUJBDJ-UHFFFAOYSA-N 0 0 356.447 3.723 50 30 FHEARN CN(Cc1ccc(Br)s1)C(=O)NCC#Cc1ccccc1 ZINC000032802832 523205025 /nfs/dbraw/zinc/20/50/25/523205025.db2.gz KOXHDJAFHMRKSZ-UHFFFAOYSA-N 0 0 363.280 3.704 50 30 FHEARN COc1ccc(/C=N/N2CCN(c3ccccc3)CC2)cc1Br ZINC000001214112 523441068 /nfs/dbraw/zinc/44/10/68/523441068.db2.gz DXCBZBCVRRSISO-XSFVSMFZSA-N 0 0 374.282 3.614 50 30 FHEARN CN=C(Nc1cccc(Cl)c1)S[C@H]1CC(=O)N(c2ccccc2)C1=O ZINC000100567271 523669413 /nfs/dbraw/zinc/66/94/13/523669413.db2.gz QRSWRPSCUKYKAC-HNNXBMFYSA-N 0 0 373.865 3.612 50 30 FHEARN CN(C(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2)C1(C#N)CCCCC1 ZINC000005455768 523829708 /nfs/dbraw/zinc/82/97/08/523829708.db2.gz WWQRKHLQOZYXPC-UHFFFAOYSA-N 0 0 372.509 3.821 50 30 FHEARN COc1ccc(CN=C(Nc2ccccc2)n2sc(C)cc2=N)cc1 ZINC000020343857 523864732 /nfs/dbraw/zinc/86/47/32/523864732.db2.gz XLLZTLPJYYDGAL-UHFFFAOYSA-N 0 0 352.463 3.862 50 30 FHEARN COc1ccc(CCNC2=CC(=O)C[C@@H](c3ccc(N(C)C)cc3)C2)cc1 ZINC000004741314 523973437 /nfs/dbraw/zinc/97/34/37/523973437.db2.gz QLKHQFHZCRMLKV-IBGZPJMESA-N 0 0 364.489 3.924 50 30 FHEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COc1ccccc1[N+](=O)[O-] ZINC000018099309 524034422 /nfs/dbraw/zinc/03/44/22/524034422.db2.gz YNQIECKETQXEHX-UNOMPAQXSA-N 0 0 352.390 3.854 50 30 FHEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)c1cccnc1Cl ZINC000003466369 524035020 /nfs/dbraw/zinc/03/50/20/524035020.db2.gz DTELVCZHEQSSGQ-GZTJUZNOSA-N 0 0 370.836 3.772 50 30 FHEARN COc1ccccc1NC(=O)c1cn(CCC#N)nc1-c1ccc(F)cc1 ZINC000003410540 524630682 /nfs/dbraw/zinc/63/06/82/524630682.db2.gz PBKMIUYACIOWNO-UHFFFAOYSA-N 0 0 364.380 3.864 50 30 FHEARN COc1ccc(OC)c(C=NN2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000238882054 524811167 /nfs/dbraw/zinc/81/11/67/524811167.db2.gz CDRUTTYUDIMIMX-UHFFFAOYSA-N 0 0 373.884 3.509 50 30 FHEARN C[C@@H]1Cc2ccccc2N1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000252457187 525532219 /nfs/dbraw/zinc/53/22/19/525532219.db2.gz LEENUWDLILAWHQ-PBHICJAKSA-N 0 0 354.413 3.675 50 30 FHEARN COc1cccc(-n2cnnc2S[C@H](C#N)Cc2ccc(C)cc2)c1 ZINC000006606966 525753932 /nfs/dbraw/zinc/75/39/32/525753932.db2.gz VDGPMLRKWPAPTG-SFHVURJKSA-N 0 0 350.447 3.811 50 30 FHEARN C[C@@]12CC[C@H]3[C@@]45CO[C@@]3(CCC4=CC(=O)CC5)[C@H]1CC[C@H]2C(=O)C1N=N1 ZINC000254815071 525914340 /nfs/dbraw/zinc/91/43/40/525914340.db2.gz BEZPFZAQJHAMRG-XFKPDKBWSA-N 0 0 354.450 3.628 50 30 FHEARN S=C1N=NC(c2ccccc2)N1N=Cc1ccc(Br)cc1 ZINC000252429373 526389739 /nfs/dbraw/zinc/38/97/39/526389739.db2.gz IJWLJDZJESIQMV-UHFFFAOYSA-N 0 0 359.252 3.879 50 30 FHEARN C=CCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1 ZINC000257173673 526638548 /nfs/dbraw/zinc/63/85/48/526638548.db2.gz URXFLOPQWGWCHW-OALUTQOASA-N 0 0 368.502 3.987 50 30 FHEARN N=C(NOC(=O)CCC1CCCCC1)c1ccc(Br)cc1 ZINC000004954666 526806387 /nfs/dbraw/zinc/80/63/87/526806387.db2.gz KWIVCQXMDHEOMI-UHFFFAOYSA-N 0 0 353.260 3.973 50 30 FHEARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(CCC#N)Cc1ccco1 ZINC000058229260 527539879 /nfs/dbraw/zinc/53/98/79/527539879.db2.gz GRMBFJYBFGLLPG-UHFFFAOYSA-N 0 0 362.433 3.567 50 30 FHEARN O=C(/C=C/c1cnn(-c2ccccc2)c1)c1cccc(N2CCOC2=O)c1 ZINC000063556737 527650419 /nfs/dbraw/zinc/65/04/19/527650419.db2.gz ONKVWKDRHDDVRV-MDZDMXLPSA-N 0 0 359.385 3.725 50 30 FHEARN COc1ccccc1N1CCN(/N=C/c2c(O)ccc3ccccc32)CC1 ZINC000000946048 537063022 /nfs/dbraw/zinc/06/30/22/537063022.db2.gz ROCGVCRBDSXIBN-XQNSMLJCSA-N 0 0 361.445 3.710 50 30 FHEARN CC1(C)CC(=O)C2C(=Nc3nonc3N[C@@H]2c2ccnc3ccccc32)C1 ZINC000012324495 568179969 /nfs/dbraw/zinc/17/99/69/568179969.db2.gz PKXIJCASOWPXDV-QGZVFWFLSA-N 0 0 361.405 3.840 50 30 FHEARN N#CC1(NC(=O)COC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)CCCCCC1 ZINC000051797829 568276255 /nfs/dbraw/zinc/27/62/55/568276255.db2.gz ZRYHUZKGKSECBH-KGLIPLIRSA-N 0 0 374.403 3.631 50 30 FHEARN CCCCCCCN1c2ccccc2C(=C2SC(=S)NC2=O)C1=O ZINC000095670891 570470468 /nfs/dbraw/zinc/47/04/68/570470468.db2.gz IXVACPKTPLOQRN-PFONDFGASA-N 0 0 360.504 3.863 50 30 FHEARN N#CC(=NNc1ccc(F)cc1)C(=O)c1ccc(OC(F)(F)F)cc1 ZINC000001039186 570474087 /nfs/dbraw/zinc/47/40/87/570474087.db2.gz YZAKCSSJYKLYHU-OEAKJJBVSA-N 0 0 351.259 3.899 50 30 FHEARN COC(=O)c1sccc1NC=C1C(=O)CC[C@H](c2ccccc2)C1=O ZINC000002141733 570515249 /nfs/dbraw/zinc/51/52/49/570515249.db2.gz TUILIDKDMNVYJT-MBFWDRTGSA-N 0 0 355.415 3.546 50 30 FHEARN C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc2c(c1)nnn2CC ZINC000014196753 570518716 /nfs/dbraw/zinc/51/87/16/570518716.db2.gz DRXCYCDSJMBEEW-UHFFFAOYSA-N 0 0 360.870 3.995 50 30 FHEARN NC(=S)N/N=C/c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000002571257 570525447 /nfs/dbraw/zinc/52/54/47/570525447.db2.gz KNKPKVLPPSVQLN-AERZKKPOSA-N 0 0 374.775 3.713 50 30 FHEARN N#Cc1ccccc1-c1ccc(C[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)o1 ZINC000072164664 570526417 /nfs/dbraw/zinc/52/64/17/570526417.db2.gz WTCCYUZOFKUOIH-KRWDZBQOSA-N 0 0 357.413 3.713 50 30 FHEARN CC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2ccccc2)C1=O ZINC000004888151 570555339 /nfs/dbraw/zinc/55/53/39/570555339.db2.gz XLKKTKRVTWBFPK-VZZUUUIUSA-N 0 0 367.474 3.939 50 30 FHEARN COc1ccc(CN2C(=O)[C@@H](C)S/C2=N/N=C/c2cccs2)cc1 ZINC000004906487 570557880 /nfs/dbraw/zinc/55/78/80/570557880.db2.gz VMIZEFCDDTUMCL-IFUHEKCOSA-N 0 0 359.476 3.611 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004919569 570559724 /nfs/dbraw/zinc/55/97/24/570559724.db2.gz ZISQYMBZBZMMEZ-CRAIPNDOSA-N 0 0 355.346 3.507 50 30 FHEARN CC(=O)Nc1sc(N=NCc2ccc(O)cc2)nc1-c1ccc(C)cc1 ZINC000004981636 570571959 /nfs/dbraw/zinc/57/19/59/570571959.db2.gz HYMGLVAWFCAYOC-RGVLZGJSSA-N 0 0 366.446 3.650 50 30 FHEARN O=C1N/C(=N/N=C/c2ccco2)S[C@@H]1Cc1cccc(Cl)c1Cl ZINC000004075920 570574628 /nfs/dbraw/zinc/57/46/28/570574628.db2.gz JZVJZNZVGCIPCX-VGTRTNLYSA-N 0 0 368.245 3.751 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(C)sc1SC ZINC000004094984 570576001 /nfs/dbraw/zinc/57/60/01/570576001.db2.gz FDMAEHNREJYAGJ-HNNXBMFYSA-N 0 0 363.504 3.919 50 30 FHEARN CCC[C@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(OC)cc2)C1=O ZINC000005111646 570586149 /nfs/dbraw/zinc/58/61/49/570586149.db2.gz ZDKUQLRWZWWVFK-NSJLDRRZSA-N 0 0 371.462 3.922 50 30 FHEARN N#Cc1c(NC(=O)COC(=O)c2ccccc2F)sc2c1CCCCC2 ZINC000005117904 570586673 /nfs/dbraw/zinc/58/66/73/570586673.db2.gz DJQFBZARNAGLPU-UHFFFAOYSA-N 0 0 372.421 3.823 50 30 FHEARN Cc1nc2n(n1)[C@H](c1ccc(F)cc1)C1C(=O)C[C@H](c3ccco3)CC1=N2 ZINC000004488231 570592392 /nfs/dbraw/zinc/59/23/92/570592392.db2.gz NMEDTCYMUVXYCB-BFUOFWGJSA-N 0 0 364.380 3.734 50 30 FHEARN CCOc1ccc2c(c1)/C(=N\N=C1/C[C@@H](c3ccccc3)N=N1)C(=O)N2C ZINC000100734977 570596094 /nfs/dbraw/zinc/59/60/94/570596094.db2.gz LTSMYVCXOYZSDC-JBGQHRLWSA-N 0 0 361.405 3.762 50 30 FHEARN CC(C)(C)NC(=NS(=O)(=O)c1ccccc1)c1ccccc1Cl ZINC000004810918 570607518 /nfs/dbraw/zinc/60/75/18/570607518.db2.gz AEMDYXNBAFIHAJ-UHFFFAOYSA-N 0 0 350.871 3.864 50 30 FHEARN COc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2 ZINC000004914491 570613538 /nfs/dbraw/zinc/61/35/38/570613538.db2.gz CNGDWXXYKYMNOX-WMLDXEAASA-N 0 0 365.404 3.839 50 30 FHEARN O=[N+]([O-])c1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)c1 ZINC000005428741 570626731 /nfs/dbraw/zinc/62/67/31/570626731.db2.gz KNCDLUMHIZRQAR-RQZCQDPDSA-N 0 0 359.798 3.678 50 30 FHEARN COc1ccccc1-n1c(SCC#N)nc2cc(Cl)ccc2c1=O ZINC000005216724 570635682 /nfs/dbraw/zinc/63/56/82/570635682.db2.gz HQMXLQRGTBGUTG-UHFFFAOYSA-N 0 0 357.822 3.663 50 30 FHEARN CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(F)c1)C1=C(CCCC1=O)N2 ZINC000006001736 570639677 /nfs/dbraw/zinc/63/96/77/570639677.db2.gz GSMKPBYGIPGJOD-CQSZACIVSA-N 0 0 371.437 3.586 50 30 FHEARN CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(F)cc1)C1=C(CCCC1=O)N2 ZINC000006002165 570640084 /nfs/dbraw/zinc/64/00/84/570640084.db2.gz GBHPFGIYUIIVHZ-AWEZNQCLSA-N 0 0 371.437 3.586 50 30 FHEARN Cc1ccc(/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)c(Br)c1 ZINC000006195175 570643227 /nfs/dbraw/zinc/64/32/27/570643227.db2.gz UHEOPICJGWBYMF-UHFFFAOYSA-N 0 0 360.167 3.739 50 30 FHEARN Cc1cccc([C@H]2C3C(=O)C[C@H](c4ccccc4O)CC3=Nc3ncnn32)c1 ZINC000005270458 570645447 /nfs/dbraw/zinc/64/54/47/570645447.db2.gz OTDNNQDPFNZFTC-VFNWGFHPSA-N 0 0 372.428 3.708 50 30 FHEARN C=CCn1c2sc3c(c2c(=O)n(C2CCCCC2)c1=O)CC(C)(C)OC3 ZINC000005274486 570645751 /nfs/dbraw/zinc/64/57/51/570645751.db2.gz VRCDLNPVHYDJQZ-UHFFFAOYSA-N 0 0 374.506 3.767 50 30 FHEARN COc1ccc(OC)c(-c2c(C)c3cc(OCC#N)ccc3oc2=O)c1 ZINC000005303977 570646658 /nfs/dbraw/zinc/64/66/58/570646658.db2.gz FZXXDUAXXRZOGN-UHFFFAOYSA-N 0 0 351.358 3.688 50 30 FHEARN O=C1C[C@@H](c2cccc(O)c2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 ZINC000006819560 570654817 /nfs/dbraw/zinc/65/48/17/570654817.db2.gz AQCIFOFDWHJUTD-YOEHRIQHSA-N 0 0 351.377 3.536 50 30 FHEARN O=C1Nc2ccc(Br)cc2C1=NNc1cccc2cccnc21 ZINC000006884232 570656112 /nfs/dbraw/zinc/65/61/12/570656112.db2.gz QRPTXZMFQXUURK-UHFFFAOYSA-N 0 0 367.206 3.766 50 30 FHEARN Cc1ccc2c(c1NC(=O)c1ccc(C#N)cc1)C(=O)c1ccccc1C2=O ZINC000005504843 570664301 /nfs/dbraw/zinc/66/43/01/570664301.db2.gz OWSNIRKPRQHSEH-UHFFFAOYSA-N 0 0 366.376 3.894 50 30 FHEARN C[C@@H]1CCN(C(=O)COC(=O)c2ccc(C#N)cc2)c2ccccc2S1 ZINC000005507038 570664713 /nfs/dbraw/zinc/66/47/13/570664713.db2.gz ZADQWXBQUHLKDQ-CQSZACIVSA-N 0 0 366.442 3.633 50 30 FHEARN COc1ccc2oc(=O)c(C(=O)Nc3sc(C)c(C)c3C#N)cc2c1 ZINC000005533477 570667551 /nfs/dbraw/zinc/66/75/51/570667551.db2.gz RFIYSZHOJRITGA-UHFFFAOYSA-N 0 0 354.387 3.604 50 30 FHEARN CC(C)Oc1ccc(CNC(=S)NN=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008828798 570688691 /nfs/dbraw/zinc/68/86/91/570688691.db2.gz BJWONPQIIOGGNY-UDWIEESQSA-N 0 0 372.450 3.792 50 30 FHEARN O=C1C[C@@H](c2ccco2)CC2=Nc3ncnn3[C@H](c3ccc(Cl)cc3)C12 ZINC000009088666 570691154 /nfs/dbraw/zinc/69/11/54/570691154.db2.gz JQRGZMDLINPLRE-KPZWWZAWSA-N 0 0 366.808 3.940 50 30 FHEARN CC(Cn1c(=O)oc2ccccc21)=NOC(=O)Nc1cccc(Cl)c1 ZINC000012369711 570739603 /nfs/dbraw/zinc/73/96/03/570739603.db2.gz DVOULKZWAPGPLY-RGVLZGJSSA-N 0 0 359.769 3.873 50 30 FHEARN COc1ccc(/C=C2/S/C(=N\c3cccc(C)c3)NC2=O)cc1OC ZINC000012462717 570747680 /nfs/dbraw/zinc/74/76/80/570747680.db2.gz PQWRTVQSFLNFPK-GZTJUZNOSA-N 0 0 354.431 3.904 50 30 FHEARN COc1ccc(N2C(=O)CS/C2=N\C(=S)Nc2ccccc2)cc1 ZINC000017917989 570767091 /nfs/dbraw/zinc/76/70/91/570767091.db2.gz YQBOSQKYCQDIBO-ZPHPHTNESA-N 0 0 357.460 3.528 50 30 FHEARN O=C1c2ccccc2C(=O)C1=C(NCc1ccccc1)NCc1ccccc1 ZINC000002575585 570767862 /nfs/dbraw/zinc/76/78/62/570767862.db2.gz NBMRHIIAMRVLLY-UHFFFAOYSA-N 0 0 368.436 3.857 50 30 FHEARN C=CCSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1C(=O)CCCC1=N2 ZINC000004436256 570782463 /nfs/dbraw/zinc/78/24/63/570782463.db2.gz FGZMPYPUEQXASG-MRXNPFEDSA-N 0 0 356.426 3.717 50 30 FHEARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1CCc1cccs1 ZINC000013720828 570786852 /nfs/dbraw/zinc/78/68/52/570786852.db2.gz PARWJVHGIYNUSW-UHFFFAOYSA-N 0 0 367.499 3.626 50 30 FHEARN Cn1c(-c2ccc([N+](=O)[O-])cc2)cs/c1=N/N=C/c1cccc(F)c1 ZINC000004453596 570789060 /nfs/dbraw/zinc/78/90/60/570789060.db2.gz BCXOYTZFQWTQND-HPCQOMFASA-N 0 0 356.382 3.736 50 30 FHEARN C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1sccc1C#N ZINC000032774258 570798113 /nfs/dbraw/zinc/79/81/13/570798113.db2.gz BJIIJRFTIUPUGQ-UZNLNLPZSA-N 0 0 358.463 3.706 50 30 FHEARN CC(=CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Cc1ccc([N+](=O)[O-])cc1 ZINC000100961092 570801326 /nfs/dbraw/zinc/80/13/26/570801326.db2.gz GGEYNSUISKVRSY-VFOYLBQGSA-N 0 0 371.309 3.912 50 30 FHEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccccc1 ZINC000102577826 570833844 /nfs/dbraw/zinc/83/38/44/570833844.db2.gz YEPHVBYZWSGFCC-GOSISDBHSA-N 0 0 357.413 3.730 50 30 FHEARN CCOC(=O)C1=C(Nc2ccccc2F)SC(=Cc2cccnc2)C1=O ZINC000103315867 570847582 /nfs/dbraw/zinc/84/75/82/570847582.db2.gz FPWSJHPQHWQKSC-XNTDXEJSSA-N 0 0 370.405 3.764 50 30 FHEARN CCS(=O)(=O)c1ccccc1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000004585743 570852932 /nfs/dbraw/zinc/85/29/32/570852932.db2.gz DHVFOYFUONNOCK-UHFFFAOYSA-N 0 0 374.487 3.544 50 30 FHEARN CCOc1ccccc1NC(=NC(=O)c1ccccc1)NCc1cccnc1 ZINC000046127141 570927051 /nfs/dbraw/zinc/92/70/51/570927051.db2.gz QUIRFPHYOQHOLY-UHFFFAOYSA-N 0 0 374.444 3.878 50 30 FHEARN Cc1ccc(C(=O)N=C(NCc2ccccn2)Nc2ccc(F)cc2)cc1 ZINC000046126474 570927093 /nfs/dbraw/zinc/92/70/93/570927093.db2.gz QQVJJFMUMPNJQJ-UHFFFAOYSA-N 0 0 362.408 3.927 50 30 FHEARN C=CCNC(=O)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F ZINC000047914737 570931831 /nfs/dbraw/zinc/93/18/31/570931831.db2.gz JJTRZUVDLHAOAX-UHFFFAOYSA-N 0 0 353.300 3.858 50 30 FHEARN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cccc2c1CCCC2 ZINC000022956570 570953725 /nfs/dbraw/zinc/95/37/25/570953725.db2.gz MOQZMBKAYUUJPW-UHFFFAOYSA-N 0 0 350.466 3.864 50 30 FHEARN CC(=O)Nc1cccc(/N=C2\NN=C(c3ccc4c(c3)CCC4)CS2)c1 ZINC000026144474 571003095 /nfs/dbraw/zinc/00/30/95/571003095.db2.gz OGCBPUXREXUVCM-UHFFFAOYSA-N 0 0 364.474 3.862 50 30 FHEARN COc1ccc2c(c1)CC/C(=C/c1cc(OC)c(OC)cc1[N+](=O)[O-])C2=O ZINC000008321513 571039648 /nfs/dbraw/zinc/03/96/48/571039648.db2.gz MCIGGSCIUOEXJN-JYRVWZFOSA-N 0 0 369.373 3.833 50 30 FHEARN COc1ccc2cc(CN(C)C(=O)COc3ccccc3C#N)ccc2c1 ZINC000008360844 571042238 /nfs/dbraw/zinc/04/22/38/571042238.db2.gz XNJYCJVRFGYYDA-UHFFFAOYSA-N 0 0 360.413 3.757 50 30 FHEARN O=c1c(Br)c(N=NC[C@H]2CC=CCC2)cnn1-c1ccccc1 ZINC000001276517 571045800 /nfs/dbraw/zinc/04/58/00/571045800.db2.gz LORWOLWJXSRZSG-MDBUFAAASA-N 0 0 373.254 3.749 50 30 FHEARN O=C(c1cccs1)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccccc1 ZINC000008462346 571047759 /nfs/dbraw/zinc/04/77/59/571047759.db2.gz FGGSSOSKJPCBDS-YOEHRIQHSA-N 0 0 369.442 3.505 50 30 FHEARN COc1cccc([C@@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2C#N)c1 ZINC000008748882 571059323 /nfs/dbraw/zinc/05/93/23/571059323.db2.gz UCPZNBWNOIJCEK-IBGZPJMESA-N 0 0 369.852 3.996 50 30 FHEARN CCC1N=NC(=S)N1N=Cc1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000008782508 571061997 /nfs/dbraw/zinc/06/19/97/571061997.db2.gz QPMVSZKQOCCJOD-RGVLZGJSSA-N 0 0 368.462 3.672 50 30 FHEARN CCOc1ccc2c(c1)O/C(=C\c1ccccc1O[C@@H](C)C(=O)OC)C2=O ZINC000008823729 571062498 /nfs/dbraw/zinc/06/24/98/571062498.db2.gz ZJBHPNFVZBMJCW-JFENUBAZSA-N 0 0 368.385 3.642 50 30 FHEARN Cc1ccc2nc(C3C(O)=CN(c4cccc5ccccc54)C3=N)[nH]c2c1 ZINC000008844099 571062904 /nfs/dbraw/zinc/06/29/04/571062904.db2.gz LAAKMZIZHCJLLE-UHFFFAOYSA-N 0 0 354.413 3.741 50 30 FHEARN C=CCN1C(=O)[C@H](Cc2ccc(F)cc2)S/C1=N/N=C/c1ccccc1 ZINC000033406218 571064977 /nfs/dbraw/zinc/06/49/77/571064977.db2.gz QCOVCJQGBPASPF-NNPDONQDSA-N 0 0 367.449 3.888 50 30 FHEARN C=CCn1c(SCC(=O)N2CCC[C@@H]2c2cccs2)nnc1C1CC1 ZINC000039975828 571066426 /nfs/dbraw/zinc/06/64/26/571066426.db2.gz PLDXRUYLFGPGCA-CQSZACIVSA-N 0 0 374.535 3.859 50 30 FHEARN CC(C)[C@@](C)(C#N)NC(=O)CNc1ccc(Br)cc1Cl ZINC000040009474 571067748 /nfs/dbraw/zinc/06/77/48/571067748.db2.gz FJFHGWCPWVMFDB-CQSZACIVSA-N 0 0 358.667 3.569 50 30 FHEARN Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)cc1 ZINC000040050773 571070220 /nfs/dbraw/zinc/07/02/20/571070220.db2.gz YQQWSULLVIBAPC-UHFFFAOYSA-N 0 0 365.414 3.855 50 30 FHEARN C[C@]1(c2ccccc2C(F)(F)F)NC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000040116603 571079648 /nfs/dbraw/zinc/07/96/48/571079648.db2.gz PVHURDZAUPILBA-GOSISDBHSA-N 0 0 373.334 3.544 50 30 FHEARN N#Cc1ccc(N2CC[C@H](Sc3ccc(C(F)(F)F)cn3)C2=O)cc1 ZINC000084383913 571084585 /nfs/dbraw/zinc/08/45/85/571084585.db2.gz PNXZNCJNLQKUAZ-AWEZNQCLSA-N 0 0 363.364 3.870 50 30 FHEARN CN(CCCc1cc(-c2ccccc2)n[nH]1)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000040149281 571085423 /nfs/dbraw/zinc/08/54/23/571085423.db2.gz JAFXDGSDNHUYET-UHFFFAOYSA-N 0 0 361.405 3.926 50 30 FHEARN COc1ccc(-c2ccc(C#N)c(SCC(=O)NC(C)(C)C)n2)cc1 ZINC000033011178 571098936 /nfs/dbraw/zinc/09/89/36/571098936.db2.gz YHXYWYYPIXHYEF-UHFFFAOYSA-N 0 0 355.463 3.636 50 30 FHEARN C=CCc1c(C)nn(-c2nc(CC(=O)NCc3ccccc3)cs2)c1C ZINC000033019206 571104937 /nfs/dbraw/zinc/10/49/37/571104937.db2.gz LVCDZKKQJKOIPG-UHFFFAOYSA-N 0 0 366.490 3.533 50 30 FHEARN CC(C)(C)c1ccc(/C=C2\Oc3cc(OS(C)(=O)=O)ccc3C2=O)cc1 ZINC000013653686 571109769 /nfs/dbraw/zinc/10/97/69/571109769.db2.gz AMFSZDLQRWNDPO-WQRHYEAKSA-N 0 0 372.442 3.939 50 30 FHEARN CC(=O)SCC(=O)[C@@H](C#N)c1nc2ccc(C(F)(F)F)cc2s1 ZINC000009452476 571109807 /nfs/dbraw/zinc/10/98/07/571109807.db2.gz LPXVNYXQAJDRIQ-SECBINFHSA-N 0 0 358.366 3.771 50 30 FHEARN N#Cc1cnn(-c2cc(Oc3ccc(F)cc3)nc(-c3ccccc3)n2)c1N ZINC000085425711 571114837 /nfs/dbraw/zinc/11/48/37/571114837.db2.gz BTWKDJAFESWWTK-UHFFFAOYSA-N 0 0 372.363 3.715 50 30 FHEARN C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1cc(COc2ccc(C)nc2)on1 ZINC000011938502 571117275 /nfs/dbraw/zinc/11/72/75/571117275.db2.gz PVARKFMUWVBKAI-HZPDHXFCSA-N 0 0 353.422 3.692 50 30 FHEARN C=CCn1c(=O)c2sccc2nc1SCC(=O)c1ccc(F)cc1 ZINC000013985685 571120636 /nfs/dbraw/zinc/12/06/36/571120636.db2.gz GTXPTPVAKATUJM-UHFFFAOYSA-N 0 0 360.435 3.758 50 30 FHEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](C)c1cccc2ccccc21 ZINC000010030303 571122384 /nfs/dbraw/zinc/12/23/84/571122384.db2.gz FRXOOLQHBKYDCT-INIZCTEOSA-N 0 0 373.456 3.827 50 30 FHEARN C=CCn1c2ccccc2c2nnc(SCC[NH+]3CCCCC3)nc21 ZINC000000856931 571123340 /nfs/dbraw/zinc/12/33/40/571123340.db2.gz OCBKJUWCGPTKJH-UHFFFAOYSA-N 0 0 353.495 3.744 50 30 FHEARN C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 ZINC000001004070 571123355 /nfs/dbraw/zinc/12/33/55/571123355.db2.gz CVJKEECTOVFLSD-UHFFFAOYSA-N 0 0 370.474 3.610 50 30 FHEARN C=CCOc1c(Cl)cc(/C=C2\N=C(c3ccco3)OC2=O)cc1OC ZINC000002071192 571124711 /nfs/dbraw/zinc/12/47/11/571124711.db2.gz NCDKHWWZJNOYRS-LCYFTJDESA-N 0 0 359.765 3.851 50 30 FHEARN c1ccc([C@H]2O[C@@]23CCC[C@]2(O[C@H]2c2ccccc2)C32OCCO2)cc1 ZINC000216552339 571134757 /nfs/dbraw/zinc/13/47/57/571134757.db2.gz PWNONDAOOROMHQ-UJOPUZHASA-N 0 0 350.414 3.934 50 30 FHEARN CCOC(=O)[C@@]1(C)CC[C@@H]2[C@H](CC=C3C[C@H](O)CC[C@@]32C)[C@@H]1C/C=N/O ZINC000257358110 571135160 /nfs/dbraw/zinc/13/51/60/571135160.db2.gz RSZALTHHHIVRCG-MQNMQSPKSA-N 0 0 363.498 3.930 50 30 FHEARN COc1ccc2c(c1C)O/C(=C\c1cc(OC)c(OC)c(OC)c1)C2=O ZINC000006167219 571139278 /nfs/dbraw/zinc/13/92/78/571139278.db2.gz IRDZCICZLQGGOK-NVNXTCNLSA-N 0 0 356.374 3.646 50 30 biogenic FHEARN C=CCn1cnnc1S[C@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000023295486 571146877 /nfs/dbraw/zinc/14/68/77/571146877.db2.gz PXQLSIWVCBMQTK-GFCCVEGCSA-N 0 0 371.491 3.707 50 30 FHEARN O=c1cc(CNc2cccc(C#Cc3cccs3)c2)nc2ccccn12 ZINC000025628233 571148856 /nfs/dbraw/zinc/14/88/56/571148856.db2.gz WHWQGSWTNWPKJR-UHFFFAOYSA-N 0 0 357.438 3.768 50 30 FHEARN C/N=C1/S/C(=C\c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C(=O)N1C ZINC000004675193 571157514 /nfs/dbraw/zinc/15/75/14/571157514.db2.gz GWPYTXZHYRTKIW-UMWYYCSLSA-N 0 0 368.506 3.692 50 30 FHEARN COC(=O)/C=C1/S/C(=N\c2ccccc2)N(Cc2cccs2)C1=O ZINC000004699820 571163793 /nfs/dbraw/zinc/16/37/93/571163793.db2.gz WZXLVFLEMXWSLG-IBZGOXDYSA-N 0 0 358.444 3.568 50 30 FHEARN Cc1ccc(C[C@@H]2S/C(=N\N=C\c3ccc(Cl)cc3)NC2=O)cc1 ZINC000006212015 571166739 /nfs/dbraw/zinc/16/67/39/571166739.db2.gz SVOONLMPFOIDRT-YODDIOPGSA-N 0 0 357.866 3.813 50 30 FHEARN CCOC(=O)c1c(NC(=O)COc2ccc(C#N)cc2)sc(C)c1CC ZINC000005868291 571167418 /nfs/dbraw/zinc/16/74/18/571167418.db2.gz BZWITZZISWCBIF-UHFFFAOYSA-N 0 0 372.446 3.685 50 30 FHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@@H]2c2ccccn2)cc1 ZINC000006244983 571167951 /nfs/dbraw/zinc/16/79/51/571167951.db2.gz MZQRNYHSHUAXBK-GOSISDBHSA-N 0 0 350.418 3.624 50 30 FHEARN CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)C1=C(CCCC1=O)N2 ZINC000005923830 571168331 /nfs/dbraw/zinc/16/83/31/571168331.db2.gz NOUISZWNQOUCIT-OAHLLOKOSA-N 0 0 367.474 3.837 50 30 FHEARN N#Cc1cnc(SCC(=O)c2ccc(Oc3ccccc3)cc2)nc1N ZINC000031617064 571171478 /nfs/dbraw/zinc/17/14/78/571171478.db2.gz KWDAVNUZBDPCAD-UHFFFAOYSA-N 0 0 362.414 3.698 50 30 FHEARN NC(=O)COc1ccccc1C=Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000252462909 571189809 /nfs/dbraw/zinc/18/98/09/571189809.db2.gz XGSJIDJKJNGSRB-UHFFFAOYSA-N 0 0 373.412 3.554 50 30 FHEARN Cc1cc(NC(=O)N2CCC[C@H](C#N)C2)n(Cc2cccc(Cl)c2)n1 ZINC000299772123 571196012 /nfs/dbraw/zinc/19/60/12/571196012.db2.gz ZNIMFDORCGWVMI-OAHLLOKOSA-N 0 0 357.845 3.661 50 30 FHEARN Cc1nc([C@@H](C)N(C)C(=O)c2ccc(C#CC(C)(C)O)cc2)c(C)s1 ZINC000215001262 571204360 /nfs/dbraw/zinc/20/43/60/571204360.db2.gz OYBJJCQEIAAAOO-CYBMUJFWSA-N 0 0 356.491 3.716 50 30 FHEARN O=C(NCCc1c[nH]c2ccccc12)C(F)(F)C(F)(F)C(F)(F)F ZINC000002068830 571234828 /nfs/dbraw/zinc/23/48/28/571234828.db2.gz NBLIBZRLBTVVMZ-UHFFFAOYSA-N 0 0 356.241 3.660 50 30 FHEARN CCOC(=O)C1=C(Nc2cccc(F)c2)SC(=Cc2cccn2C)C1=O ZINC000036258433 571246202 /nfs/dbraw/zinc/24/62/02/571246202.db2.gz STEDNKZDKIWSAB-RVDMUPIBSA-N 0 0 372.421 3.708 50 30 FHEARN C[C@H](Sc1ncnc2sccc21)C(=O)N(C)C1(C#N)CCCCC1 ZINC000007363483 571264833 /nfs/dbraw/zinc/26/48/33/571264833.db2.gz DEYKOOOVYXIKBI-LBPRGKRZSA-N 0 0 360.508 3.857 50 30 FHEARN C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OC)=C1C ZINC000007550935 571268932 /nfs/dbraw/zinc/26/89/32/571268932.db2.gz QKEVVIQOKHCSJH-AWEZNQCLSA-N 0 0 355.221 3.693 50 30 FHEARN Cc1ccc(-c2nc(C#N)c(N3CCN(C(=O)OC(C)(C)C)CC3)o2)cc1 ZINC000170623799 571269133 /nfs/dbraw/zinc/26/91/33/571269133.db2.gz NZMNWFBZSHYNBL-UHFFFAOYSA-N 0 0 368.437 3.579 50 30 FHEARN C[C@@H]1COC[C@H](c2ccccc2)N1C(=O)CSCc1ccc(C#N)cc1 ZINC000089941337 571274292 /nfs/dbraw/zinc/27/42/92/571274292.db2.gz BAUVLRXPACMVIN-OXQOHEQNSA-N 0 0 366.486 3.780 50 30 FHEARN CCOc1cccc(C=NNS(=O)(=O)c2cc(Cl)ccc2Cl)c1 ZINC000017076397 571274992 /nfs/dbraw/zinc/27/49/92/571274992.db2.gz QCLUBDJCSSBMHG-UHFFFAOYSA-N 0 0 373.261 3.705 50 30 FHEARN O=C(CON=Cc1ccccc1OC(F)F)Nc1ccc(Cl)cc1 ZINC000252452653 571278804 /nfs/dbraw/zinc/27/88/04/571278804.db2.gz UIEWKMRENJCPJD-UHFFFAOYSA-N 0 0 354.740 3.931 50 30 FHEARN Cc1c(C=NN=C(C(=O)c2ccccc2)c2ccccc2)cc(C#N)n1C ZINC000252457546 571278905 /nfs/dbraw/zinc/27/89/05/571278905.db2.gz QPHLDWZTNQKTPQ-UHFFFAOYSA-N 0 0 354.413 3.911 50 30 FHEARN COc1ccc(-c2cc(C(=O)O[C@@H](C)C#N)c3ccccc3n2)cc1OC ZINC000007706105 571286041 /nfs/dbraw/zinc/28/60/41/571286041.db2.gz KLTQZNPEVCTKPQ-ZDUSSCGKSA-N 0 0 362.385 3.988 50 30 FHEARN C=CCNC(=O)[C@@H]1CC[C@H](c2cccc(C)c2)N(C(=O)C2CCCC2)C1 ZINC000037546079 571287758 /nfs/dbraw/zinc/28/77/58/571287758.db2.gz BALCCLSDOKFIJD-WOJBJXKFSA-N 0 0 354.494 3.767 50 30 FHEARN COC(=O)c1ccc2nc(N=Cc3ccc(OC)cc3OC)sc2c1 ZINC000252626650 571289072 /nfs/dbraw/zinc/28/90/72/571289072.db2.gz RCQLFECDDKUXKP-UHFFFAOYSA-N 0 0 356.403 3.851 50 30 FHEARN CC(C)(C)n1ncc(SCC(=N[O-])c2ccccc2)c(Cl)c1=O ZINC000252628223 571289284 /nfs/dbraw/zinc/28/92/84/571289284.db2.gz SLGOEGIPBBPDPK-UHFFFAOYSA-N 0 0 351.859 3.622 50 30 FHEARN N#Cc1cccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c1 ZINC000007842320 571290246 /nfs/dbraw/zinc/29/02/46/571290246.db2.gz IVNGKDRSTCMDDR-UHFFFAOYSA-N 0 0 357.417 3.795 50 30 FHEARN C(=NN=c1nc(Nc2ccccc2)[nH]c(N2CCCCC2)n1)c1ccco1 ZINC000252633556 571290604 /nfs/dbraw/zinc/29/06/04/571290604.db2.gz WEFLGGCTSIPQQU-UHFFFAOYSA-N 0 0 363.425 3.645 50 30 FHEARN C=C(C)Cn1c(NN)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 ZINC000002261837 571293966 /nfs/dbraw/zinc/29/39/66/571293966.db2.gz GGGFYXOJJDNCDL-UHFFFAOYSA-N 0 0 350.466 3.530 50 30 FHEARN N#Cc1ccccc1COc1ccc(C=C2SC(=S)NC2=O)cc1 ZINC000002301460 571317347 /nfs/dbraw/zinc/31/73/47/571317347.db2.gz JQQAVALNNZGRSV-SXGWCWSVSA-N 0 0 352.440 3.626 50 30 FHEARN CCOC(=O)C1=C(C)NC(=Cc2ccc(OCc3ccccc3)cc2)C1=O ZINC000002309127 571317528 /nfs/dbraw/zinc/31/75/28/571317528.db2.gz HOSPUJLZDQFTJK-CPNJWEJPSA-N 0 0 363.413 3.616 50 30 FHEARN CCCCN(CCCC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)OC ZINC000002347176 571318351 /nfs/dbraw/zinc/31/83/51/571318351.db2.gz VGOZTVONWLOFNF-OAHLLOKOSA-N 0 0 354.454 3.817 50 30 FHEARN N#Cc1nc(-c2ccc(F)cc2)oc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000027663266 571319901 /nfs/dbraw/zinc/31/99/01/571319901.db2.gz SCWMECOFNHKUFD-UHFFFAOYSA-N 0 0 362.769 3.839 50 30 FHEARN N#Cc1ccccc1OC(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 ZINC000007780773 571320024 /nfs/dbraw/zinc/32/00/24/571320024.db2.gz ZGMVJDUCDQXHDP-VOTSOKGWSA-N 0 0 355.777 3.992 50 30 FHEARN N#Cc1ccc(-c2ccc(C(=O)NCC3(CO)CCC3)cc2)cc1Cl ZINC000426635344 571322190 /nfs/dbraw/zinc/32/21/90/571322190.db2.gz KGOZBTNJLLRRMV-UHFFFAOYSA-N 0 0 354.837 3.771 50 30 FHEARN C[C@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)Nc1cccc(C#N)c1 ZINC000012823071 571322804 /nfs/dbraw/zinc/32/28/04/571322804.db2.gz ZXTMKWRNXIWIIA-NKSUMMKUSA-N 0 0 371.396 3.690 50 30 FHEARN Cc1csc([C@@H](C)NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)n1 ZINC000078992805 571326553 /nfs/dbraw/zinc/32/65/53/571326553.db2.gz RCAANTLRYVNFGW-GFCCVEGCSA-N 0 0 367.396 3.882 50 30 FHEARN C=CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@@H]1c1cccc(F)c1 ZINC000002463594 571327760 /nfs/dbraw/zinc/32/77/60/571327760.db2.gz KZAXJGAONTXUKH-GDBMZVCRSA-N 0 0 374.437 3.594 50 30 FHEARN C=CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@H]1c1cccc(F)c1 ZINC000002463589 571327762 /nfs/dbraw/zinc/32/77/62/571327762.db2.gz KZAXJGAONTXUKH-HOCLYGCPSA-N 0 0 374.437 3.594 50 30 FHEARN Cc1ccc(-c2nn3c(SCC#N)nc4ccccc4c3nc2=O)cc1C ZINC000095469520 571330697 /nfs/dbraw/zinc/33/06/97/571330697.db2.gz MHSMCOYNXVZYDM-UHFFFAOYSA-N 0 0 373.441 3.537 50 30 FHEARN C#Cc1cccc(NC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)c1 ZINC000095951178 571332708 /nfs/dbraw/zinc/33/27/08/571332708.db2.gz CQIKKADFTBUPNV-UHFFFAOYSA-N 0 0 357.291 3.989 50 30 FHEARN C#CCOc1ccc(CN[C@H](C(=O)OC(C)(C)C)c2ccccc2)cc1 ZINC000095997196 571333671 /nfs/dbraw/zinc/33/36/71/571333671.db2.gz AMJWEFPZFKGXSP-FQEVSTJZSA-N 0 0 351.446 3.871 50 30 FHEARN Cc1nc(C(=O)N2CCCCC[C@H]2c2noc(C(C)C)n2)ccc1C#N ZINC000096001218 571333742 /nfs/dbraw/zinc/33/37/42/571333742.db2.gz FIJNBTJVDTZVNB-INIZCTEOSA-N 0 0 353.426 3.526 50 30 FHEARN N#Cc1ccc(C(=O)Nc2ccc(N3CCc4sccc4C3)nc2)cc1 ZINC000029818880 571343338 /nfs/dbraw/zinc/34/33/38/571343338.db2.gz DGLSOQNCITVBGO-UHFFFAOYSA-N 0 0 360.442 3.830 50 30 FHEARN N#Cc1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000003233056 571345845 /nfs/dbraw/zinc/34/58/45/571345845.db2.gz AKGLENGIOWHGNS-UHFFFAOYSA-N 0 0 370.415 3.807 50 30 FHEARN CCc1cc2c(ncnc2SCC(=O)Nc2ccc(C#N)cc2)s1 ZINC000003260691 571346320 /nfs/dbraw/zinc/34/63/20/571346320.db2.gz XQPXLJCXTOPLGN-UHFFFAOYSA-N 0 0 354.460 3.856 50 30 FHEARN N#CCCN(Cc1cccnc1)C(=S)Nc1ccc(OC(F)F)cc1 ZINC000003306002 571347017 /nfs/dbraw/zinc/34/70/17/571347017.db2.gz YWRYRDTVPIIAQP-UHFFFAOYSA-N 0 0 362.405 3.796 50 30 FHEARN CCOc1ccccc1-n1c(S[C@@H](C)C#N)nnc1-c1cccnc1 ZINC000003346806 571347952 /nfs/dbraw/zinc/34/79/52/571347952.db2.gz MVPIJJCNDTVGMP-ZDUSSCGKSA-N 0 0 351.435 3.732 50 30 FHEARN COc1cc(C#N)ccc1OCC(=O)c1cc(C)n(Cc2ccco2)c1C ZINC000003428636 571349472 /nfs/dbraw/zinc/34/94/72/571349472.db2.gz CCHLTYSVCCWUNT-UHFFFAOYSA-N 0 0 364.401 3.888 50 30 FHEARN C=C(C)CN(CC)C(=O)CSc1nnc2cc(C)c3ccccc3n21 ZINC000003444092 571349784 /nfs/dbraw/zinc/34/97/84/571349784.db2.gz ZHQDKPYMJBAESA-UHFFFAOYSA-N 0 0 354.479 3.708 50 30 FHEARN O=C1c2ccc3c(c2O/C1=C\c1cccnc1)[C@H](c1ccco1)CC(=O)O3 ZINC000218008319 571351963 /nfs/dbraw/zinc/35/19/63/571351963.db2.gz UHWBXVOSEKBZBW-DUPVFGOHSA-N 0 0 359.337 3.732 50 30 FHEARN CCOc1ccc2c(c1)/C(=N/N=C1\C[C@@H](c3ccccc3)N=N1)C(=O)N2C ZINC000004184956 571356615 /nfs/dbraw/zinc/35/66/15/571356615.db2.gz LTSMYVCXOYZSDC-DLPLUGEUSA-N 0 0 361.405 3.762 50 30 FHEARN Cc1cc(SCC(=O)N[C@H](C)C(C)C)n2c3ccccc3nc2c1C#N ZINC000004269427 571357419 /nfs/dbraw/zinc/35/74/19/571357419.db2.gz OKUWXJIIZVGOSF-CQSZACIVSA-N 0 0 366.490 3.920 50 30 FHEARN N#Cc1c(NC(=O)COC(=O)Cc2cccs2)sc2c1CCCCC2 ZINC000007975551 571357724 /nfs/dbraw/zinc/35/77/24/571357724.db2.gz DYPANGSLABZQSW-UHFFFAOYSA-N 0 0 374.487 3.675 50 30 FHEARN Cn1ccnc1N1CCC(NC(=O)CCc2cc(Cl)cs2)CC1 ZINC000328751779 942038874 /nfs/dbraw/zinc/03/88/74/942038874.db2.gz NEATZOISSRIDFY-UHFFFAOYSA-N 0 0 352.891 3.693 50 30 FHEARN CC(C)c1noc([C@@H](NC(=O)c2cccnc2C2CC2)C2CCOCC2)n1 ZINC000330282552 944348476 /nfs/dbraw/zinc/34/84/76/944348476.db2.gz VLJWZZOMHOJCCS-KRWDZBQOSA-N 0 0 370.453 3.938 50 30 FHEARN Cc1cc(F)ccc1[C@H]1CCCN1S(=O)(=O)CC1(C#N)CCCC1 ZINC000331605355 944456895 /nfs/dbraw/zinc/45/68/95/944456895.db2.gz VRFMLJLOSAZSFZ-QGZVFWFLSA-N 0 0 350.459 3.685 50 30 FHEARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCCS/C1=N/Cc1ccccc1 ZINC000105037454 947775905 /nfs/dbraw/zinc/77/59/05/947775905.db2.gz KQWUNEOKAKHAOI-VHEBQXMUSA-N 0 0 355.419 3.730 50 30 FHEARN Cc1ccc(CS(=O)(=O)c2oc(-c3ccc(C)cc3)nc2C#N)cc1 ZINC000170623826 222608140 /nfs/dbraw/zinc/60/81/40/222608140.db2.gz YVAJCKKEWILGCC-UHFFFAOYSA-N 0 0 352.415 3.804 50 30 FHEARN Cc1cc(C)c(/C=C\C(=O)OCC(=O)Nc2sccc2C#N)cc1C ZINC000222089165 222731346 /nfs/dbraw/zinc/73/13/46/222731346.db2.gz RTXNRXXRIDDDPA-PLNGDYQASA-N 0 0 354.431 3.740 50 30 FHEARN CSc1nc(Oc2ccc(Cl)cc2)cc(-n2nc(C)c(C#N)c2N)n1 ZINC000000644448 219309176 /nfs/dbraw/zinc/30/91/76/219309176.db2.gz FIASGSCIJVMQEY-UHFFFAOYSA-N 0 0 372.841 3.592 50 30 FHEARN N#Cc1c(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)sc2c1CCCC2 ZINC000000780308 219320348 /nfs/dbraw/zinc/32/03/48/219320348.db2.gz GTIYDDYACYJWJM-ZDUSSCGKSA-N 0 0 371.506 3.618 50 30 FHEARN CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccsc2)C2=C(CCCC2=O)N1 ZINC000000815968 219326205 /nfs/dbraw/zinc/32/62/05/219326205.db2.gz CZRVGCRQSCQRJX-GOSISDBHSA-N 0 0 356.491 3.729 50 30 FHEARN CCOc1cc(/C=N/n2cnnc2)ccc1OCc1c(F)cccc1Cl ZINC000000936828 219342380 /nfs/dbraw/zinc/34/23/80/219342380.db2.gz WWIBHHNJMJBZPL-NUGSKGIGSA-N 0 0 374.803 3.931 50 30 FHEARN N#Cc1ccccc1NC(=O)c1ccc(C(=O)Nc2ccccc2C#N)cc1 ZINC000000971317 219347856 /nfs/dbraw/zinc/34/78/56/219347856.db2.gz COGSUOZDEZEDSZ-UHFFFAOYSA-N 0 0 366.380 3.935 50 30 FHEARN CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)C#Cc3ccccc3)cc21 ZINC000000975720 219349098 /nfs/dbraw/zinc/34/90/98/219349098.db2.gz KNDHLBTYCQAGON-UHFFFAOYSA-N 0 0 361.397 3.621 50 30 FHEARN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OC)c(OCC)c2)C1=O ZINC000000981926 219349558 /nfs/dbraw/zinc/34/95/58/219349558.db2.gz BBKSGEGQZIMOMT-UKTHLTGXSA-N 0 0 353.827 3.970 50 30 FHEARN CC1=C(C(=O)OC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 ZINC000001063979 219361380 /nfs/dbraw/zinc/36/13/80/219361380.db2.gz NOSNRUDHYCPMGV-SFHVURJKSA-N 0 0 370.405 3.514 50 30 FHEARN Cc1sc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c(C#N)c1C ZINC000001061006 219361672 /nfs/dbraw/zinc/36/16/72/219361672.db2.gz KRIGMNYKZNULRZ-UHFFFAOYSA-N 0 0 368.414 3.669 50 30 biogenic FHEARN O=C1C=C(c2cccs2)C[C@H](c2ccccc2)[C@@H]1n1cnc([N+](=O)[O-])n1 ZINC000001056201 219360511 /nfs/dbraw/zinc/36/05/11/219360511.db2.gz WQFXMBBDKDFVAK-PBHICJAKSA-N 0 0 366.402 3.629 50 30 FHEARN O=C1C=C(c2ccccc2)C[C@H](c2ccccc2)[C@H]1n1cnc([N+](=O)[O-])n1 ZINC000001056519 219360933 /nfs/dbraw/zinc/36/09/33/219360933.db2.gz YEFOINVAAQTTLT-IEBWSBKVSA-N 0 0 360.373 3.568 50 30 FHEARN C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(OC)c3)c2C)C1=O ZINC000001098329 219368127 /nfs/dbraw/zinc/36/81/27/219368127.db2.gz JNHFLUWQGXNFEL-WOJGMQOQSA-N 0 0 366.442 3.772 50 30 FHEARN CCOc1ccc(NC(=O)CSc2nc(C)cc(COC)c2C#N)cc1 ZINC000001091022 219368410 /nfs/dbraw/zinc/36/84/10/219368410.db2.gz FPENCIGODIUPPW-UHFFFAOYSA-N 0 0 371.462 3.538 50 30 FHEARN COc1cc(Br)c(/C=C2\N=C(SC)SC2=O)cc1OC ZINC000001122672 219373899 /nfs/dbraw/zinc/37/38/99/219373899.db2.gz JIPHFGDAXOKALK-WTKPLQERSA-N 0 0 374.281 3.800 50 30 FHEARN CC1(C)CC(=O)C2=C(C1)C(C#N)(C#N)[C@@H](c1ccccc1[N+](=O)[O-])CC2=O ZINC000001199498 219388064 /nfs/dbraw/zinc/38/80/64/219388064.db2.gz UJMXCUQYKIJLLL-CYBMUJFWSA-N 0 0 363.373 3.853 50 30 FHEARN C=CCNC(=O)c1ccccc1NC(=O)[C@@H](C)SCc1ccccc1 ZINC000002093916 219425781 /nfs/dbraw/zinc/42/57/81/219425781.db2.gz JVYGLSXMWQMVFI-OAHLLOKOSA-N 0 0 354.475 3.863 50 30 FHEARN N#Cc1c(SCC(N)=O)nsc1SCc1ccccc1Cl ZINC000002185950 219430825 /nfs/dbraw/zinc/43/08/25/219430825.db2.gz DVEFLMDNVQMLGU-UHFFFAOYSA-N 0 0 355.897 3.538 50 30 FHEARN C=CCOc1ccc(/C=C2/C(=O)ON=C2c2cccc([N+](=O)[O-])c2)cc1 ZINC000003628583 219523123 /nfs/dbraw/zinc/52/31/23/219523123.db2.gz YMJVDXOHQLDXLO-GZTJUZNOSA-N 0 0 350.330 3.504 50 30 FHEARN C=CCN1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3[C@@H](c3ccccc3)N2C1=S ZINC000001129412 291074811 /nfs/dbraw/zinc/07/48/11/291074811.db2.gz NKEVTGXYYSJFOQ-AZUAARDMSA-N 0 0 373.481 3.797 50 30 biogenic FHEARN C=CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000004185171 219554049 /nfs/dbraw/zinc/55/40/49/219554049.db2.gz ONZUXVSQVIRFNF-CYBMUJFWSA-N 0 0 357.262 3.515 50 30 FHEARN COc1ccc(/N=C2/NC(=O)/C(=C\c3cc(OC)ccc3OC)S2)cc1 ZINC000004491782 219579077 /nfs/dbraw/zinc/57/90/77/219579077.db2.gz WEKCYBWKFKVNEX-GZTJUZNOSA-N 0 0 370.430 3.604 50 30 FHEARN N#Cc1c2c(sc1NC(=O)[C@H]1CC(c3ccccc3Cl)=NO1)CCC2 ZINC000004504966 219580904 /nfs/dbraw/zinc/58/09/04/219580904.db2.gz ZZMPXIQXIMGMMD-OAHLLOKOSA-N 0 0 371.849 3.894 50 30 FHEARN COc1ccccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1cccs1)C2 ZINC000004520692 219583188 /nfs/dbraw/zinc/58/31/88/219583188.db2.gz GWDTVFISSNNIPW-TZMCWYRMSA-N 0 0 353.443 3.761 50 30 FHEARN CCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(OC)c(OC)c1 ZINC000004936646 219626165 /nfs/dbraw/zinc/62/61/65/219626165.db2.gz LVXXONBAVQJPQM-GOSISDBHSA-N 0 0 361.438 3.569 50 30 FHEARN Cc1ccc(C[C@H]2S/C(=N/N=C/c3ccccc3Cl)NC2=O)cc1 ZINC000005009641 219639430 /nfs/dbraw/zinc/63/94/30/219639430.db2.gz VXUAKXMYULZQAY-MBTVCVBTSA-N 0 0 357.866 3.813 50 30 FHEARN Clc1nc2cc3c(cc2cc1C=NN=c1[nH]c2ccccc2[nH]1)OCO3 ZINC000005460910 219682960 /nfs/dbraw/zinc/68/29/60/219682960.db2.gz VMOYGMYAEYHKNL-DNTJNYDQSA-N 0 0 365.780 3.939 50 30 FHEARN CCn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccccc1 ZINC000006628216 219741082 /nfs/dbraw/zinc/74/10/82/219741082.db2.gz MKFVWUOFLDUAKS-UHFFFAOYSA-N 0 0 363.446 3.567 50 30 FHEARN Cc1nc(SCC(=O)NCc2ccc(Cl)cc2)c(C#N)c(C)c1C ZINC000006784424 219770000 /nfs/dbraw/zinc/77/00/00/219770000.db2.gz HSPJDVBTGKAIAJ-UHFFFAOYSA-N 0 0 359.882 3.940 50 30 FHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C)cc1 ZINC000006813174 219774753 /nfs/dbraw/zinc/77/47/53/219774753.db2.gz FETPHJXQGCNRQX-LJQANCHMSA-N 0 0 365.429 3.528 50 30 FHEARN CC(C)Cn1c(S[C@H](C)C#N)nc2ccc(Br)cc2c1=O ZINC000007441346 219804991 /nfs/dbraw/zinc/80/49/91/219804991.db2.gz KDMSUMHFNAXQPU-SNVBAGLBSA-N 0 0 366.284 3.819 50 30 FHEARN N#Cc1ccc(S(=O)(=O)N[C@@H](c2cccs2)c2ccccc2)cc1 ZINC000007702252 219816975 /nfs/dbraw/zinc/81/69/75/219816975.db2.gz SSHNDDRYGZNICW-GOSISDBHSA-N 0 0 354.456 3.688 50 30 FHEARN Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C#N)c(Cl)c3)CC2=O)cc1C ZINC000008265557 219856591 /nfs/dbraw/zinc/85/65/91/219856591.db2.gz OCGKCBSBFIUNNO-OAHLLOKOSA-N 0 0 367.836 3.820 50 30 FHEARN CCOC(=O)c1c(C)[nH]c(C(=O)/C=C/c2cc(OC)cc(OC)c2)c1C ZINC000008321414 219859681 /nfs/dbraw/zinc/85/96/81/219859681.db2.gz XYDRYCFOWMHLLI-BQYQJAHWSA-N 0 0 357.406 3.722 50 30 FHEARN O=C1C[C@H](c2ccco2)CC2=Nc3ncnn3[C@H](c3ccc(Cl)cc3)C12 ZINC000009088667 219874600 /nfs/dbraw/zinc/87/46/00/219874600.db2.gz JQRGZMDLINPLRE-KZULUSFZSA-N 0 0 366.808 3.940 50 30 FHEARN COCCCN(Cc1cccc(OC)c1)C(=O)Nc1ccc(C#N)cc1F ZINC000299798561 223103089 /nfs/dbraw/zinc/10/30/89/223103089.db2.gz SWYQUYAQDHNUQP-UHFFFAOYSA-N 0 0 371.412 3.777 50 30 FHEARN COc1cccc(-c2c3c(C)nn(-c4ccccc4)c3nc(N)c2C#N)c1O ZINC000012474885 220000225 /nfs/dbraw/zinc/00/02/25/220000225.db2.gz GEZLGTDWJODBNX-UHFFFAOYSA-N 0 0 371.400 3.564 50 30 FHEARN O=C(c1ccc([N+](=O)[O-])cc1)N1CCCS/C1=N\Cc1ccccc1 ZINC000012531495 220003414 /nfs/dbraw/zinc/00/34/14/220003414.db2.gz KQWUNEOKAKHAOI-HNENSFHCSA-N 0 0 355.419 3.730 50 30 FHEARN C=C1[C@H](C(=O)N2c3ccccc3C[C@@H]2C)[C@H]1C(=O)N1c2ccccc2C[C@@H]1C ZINC000012559444 220007294 /nfs/dbraw/zinc/00/72/94/220007294.db2.gz GWZQTOHOERXPOC-KDIGXEEGSA-N 0 0 372.468 3.744 50 30 FHEARN CCOc1cc2c(cc1N[C@@H](C)C(=O)Nc1cccc(C#N)c1)O[C@@H](C)C2 ZINC000012564898 220008498 /nfs/dbraw/zinc/00/84/98/220008498.db2.gz OGDZWQFACILHGL-KBPBESRZSA-N 0 0 365.433 3.719 50 30 FHEARN O=C(C[C@H]1C(=O)OCCN1Cc1ccccc1)Nc1cccc(Cl)c1 ZINC000012652924 220015418 /nfs/dbraw/zinc/01/54/18/220015418.db2.gz NSHVXXAPIQADHQ-KRWDZBQOSA-N 0 0 358.825 3.746 50 30 FHEARN N#Cc1cccc(S(=O)(=O)N[C@@H](c2cccs2)c2ccc(F)cc2)c1 ZINC000012793242 220030635 /nfs/dbraw/zinc/03/06/35/220030635.db2.gz ASLCODXNEBXSOV-GOSISDBHSA-N 0 0 372.446 3.827 50 30 FHEARN C=CCOc1ccccc1C(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000012951901 220046177 /nfs/dbraw/zinc/04/61/77/220046177.db2.gz JITGSKQGNIMKOJ-UHFFFAOYSA-N 0 0 361.445 3.984 50 30 FHEARN COc1ccc(-c2cc3ncn(C[C@H](C#N)CCC#N)c(=O)c3s2)cc1 ZINC000013003714 220051505 /nfs/dbraw/zinc/05/15/05/220051505.db2.gz DLCQYZJAYSDVEV-ZDUSSCGKSA-N 0 0 364.430 3.577 50 30 FHEARN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc2ccc(C)cc2s1 ZINC000013007427 220052539 /nfs/dbraw/zinc/05/25/39/220052539.db2.gz VEZXXKXHLDQWEU-UHFFFAOYSA-N 0 0 367.478 3.903 50 30 FHEARN C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2C1=O ZINC000013135480 220059503 /nfs/dbraw/zinc/05/95/03/220059503.db2.gz DIOADHVUCQXKQL-UHFFFAOYSA-N 0 0 374.318 3.740 50 30 FHEARN CN(C)c1ccc(/C=C2\S/C(=N\CCc3ccccc3)NC2=O)cc1 ZINC000013547061 220071655 /nfs/dbraw/zinc/07/16/55/220071655.db2.gz UGUYHNPLYHZFTM-JXAWBTAJSA-N 0 0 351.475 3.555 50 30 FHEARN CCOc1cc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)ccc1O ZINC000013546808 220072279 /nfs/dbraw/zinc/07/22/79/220072279.db2.gz NFBNLHUCWYZVON-GZTJUZNOSA-N 0 0 354.431 3.991 50 30 FHEARN CCN1C(=O)C[C@@H](C(=O)Nc2ccccc2)S/C1=N\c1cccc(F)c1 ZINC000013424073 220067296 /nfs/dbraw/zinc/06/72/96/220067296.db2.gz FLAGIZNIHPOYMH-VFOOBRQFSA-N 0 0 371.437 3.806 50 30 FHEARN Cc1ccc(NC(=N)Nc2nc(C(F)(F)F)cc(C(F)(F)F)n2)cc1 ZINC000013572278 220076240 /nfs/dbraw/zinc/07/62/40/220076240.db2.gz FAHJKGAQQVLUNQ-UHFFFAOYSA-N 0 0 363.265 3.881 50 30 FHEARN COc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)CCC3)cc(OC)c1OC ZINC000013692874 220087000 /nfs/dbraw/zinc/08/70/00/220087000.db2.gz NZPOXDZKAOJHSE-KRWDZBQOSA-N 0 0 370.405 3.573 50 30 FHEARN O=C1c2ccc3c(c2O/C1=C\c1ccco1)CN(Cc1ccccn1)CO3 ZINC000013688720 220085889 /nfs/dbraw/zinc/08/58/89/220085889.db2.gz SILSDPZNHRQKQX-GRSHGNNSSA-N 0 0 360.369 3.643 50 30 FHEARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1ccc(F)cc1F ZINC000013727152 220091428 /nfs/dbraw/zinc/09/14/28/220091428.db2.gz CNXQTSZMBPTLTD-UHFFFAOYSA-N 0 0 369.396 3.805 50 30 FHEARN C=CCN(C(=O)c1cccc(S(C)(=O)=O)c1)c1nc2ccccc2s1 ZINC000014093030 220105622 /nfs/dbraw/zinc/10/56/22/220105622.db2.gz HBCTYXPAVNSFLR-UHFFFAOYSA-N 0 0 372.471 3.533 50 30 FHEARN Cn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 ZINC000014134587 220108535 /nfs/dbraw/zinc/10/85/35/220108535.db2.gz MWTKQYVHTKWBCA-UHFFFAOYSA-N 0 0 368.849 3.982 50 30 FHEARN N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc3ccccc3o2)CC1 ZINC000014158416 220110471 /nfs/dbraw/zinc/11/04/71/220110471.db2.gz PJZSSDIACJOTPW-SFHVURJKSA-N 0 0 363.392 3.595 50 30 FHEARN N#CCC[C@H](C#N)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O ZINC000014196832 220115626 /nfs/dbraw/zinc/11/56/26/220115626.db2.gz FQQIUVNROFZGIT-GFCCVEGCSA-N 0 0 352.394 3.708 50 30 FHEARN CC(=O)Nc1ccc2c(COc3ccc(C#N)cc3Cl)cc(=O)oc2c1 ZINC000014643115 220128743 /nfs/dbraw/zinc/12/87/43/220128743.db2.gz PTDKAIOBKCYVOO-UHFFFAOYSA-N 0 0 368.776 3.855 50 30 FHEARN N#CCOc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)cc1 ZINC000014940840 220136177 /nfs/dbraw/zinc/13/61/77/220136177.db2.gz JDKNEBVSFIPCHF-UHFFFAOYSA-N 0 0 358.781 3.656 50 30 FHEARN Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C2/C(=O)Nc3ccccc32)S1 ZINC000015016100 220141856 /nfs/dbraw/zinc/14/18/56/220141856.db2.gz DFBCRGBYBJYDRL-PFONDFGASA-N 0 0 369.833 3.862 50 30 FHEARN N#Cc1ccc(NC(=O)CCCn2c(=O)oc3ccccc32)cc1Cl ZINC000015623788 220158269 /nfs/dbraw/zinc/15/82/69/220158269.db2.gz IAMILYDUNYRKSW-UHFFFAOYSA-N 0 0 355.781 3.538 50 30 FHEARN C=CCSc1nn(C)c2nc3c(c(=O)n12)[C@@](C)(CC)Cc1ccccc1-3 ZINC000015839266 220167791 /nfs/dbraw/zinc/16/77/91/220167791.db2.gz CHPPHSSVXAMKCT-FQEVSTJZSA-N 0 0 366.490 3.597 50 30 FHEARN COc1cc(/C=N/O)cc(Br)c1OCc1ccc(F)cc1 ZINC000016195510 220180114 /nfs/dbraw/zinc/18/01/14/220180114.db2.gz XYURKKSGVYRMOP-QGMBQPNBSA-N 0 0 354.175 3.984 50 30 FHEARN COc1cc(/C=C2\COc3ccccc3C2=O)cc(OC)c1OC(F)F ZINC000016410625 220183584 /nfs/dbraw/zinc/18/35/84/220183584.db2.gz XBHXAFUCWGNRLJ-KPKJPENVSA-N 0 0 362.328 3.964 50 30 FHEARN O=C1C[C@H](c2cccc(Cl)c2)CC2=Nc3ncnn3[C@H](c3ccco3)C12 ZINC000016996464 220199797 /nfs/dbraw/zinc/19/97/97/220199797.db2.gz PQHRQKQFDLZTQA-KZULUSFZSA-N 0 0 366.808 3.940 50 30 FHEARN O=C1N/C(=N/c2ccc(Br)cc2)S[C@@H]1Cc1ccccc1 ZINC000017178694 220209986 /nfs/dbraw/zinc/20/99/86/220209986.db2.gz OHBYJNKFBMTCIY-CQSZACIVSA-N 0 0 361.264 3.911 50 30 FHEARN Cc1cccn2c(=O)c(/C=N/c3ccccc3)c(NCc3ccco3)nc12 ZINC000018037202 220222056 /nfs/dbraw/zinc/22/20/56/220222056.db2.gz LRSZXQVABVJWTN-HYARGMPZSA-N 0 0 358.401 3.959 50 30 FHEARN O=C1N/C(=N/N=C/c2ccco2)S[C@H]1Cc1ccc(Cl)cc1Cl ZINC000018209393 220227912 /nfs/dbraw/zinc/22/79/12/220227912.db2.gz YHDREEMRIJGFSE-VFJJTOLMSA-N 0 0 368.245 3.751 50 30 FHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(C)C)[C@H]2c2cccnc2)cc1 ZINC000019138728 220237939 /nfs/dbraw/zinc/23/79/39/220237939.db2.gz SSDLHAWEYWRYBI-SFHVURJKSA-N 0 0 350.418 3.624 50 30 FHEARN C=CC[C@H]1S/C(=N/N=C\c2ccc(OCc3ccccc3)cc2)NC1=O ZINC000019791772 220296071 /nfs/dbraw/zinc/29/60/71/220296071.db2.gz SCGSWNHBPLTURS-LZAZYHHXSA-N 0 0 365.458 3.763 50 30 FHEARN Cc1ccc(CN2CCN(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc1 ZINC000019882203 220303831 /nfs/dbraw/zinc/30/38/31/220303831.db2.gz PPSVWPVMRLUHQD-FYJGNVAPSA-N 0 0 372.856 3.708 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(SC)cc1 ZINC000020010976 220308811 /nfs/dbraw/zinc/30/88/11/220308811.db2.gz MPOBBWDVNJRYGR-SFHVURJKSA-N 0 0 357.475 3.940 50 30 FHEARN COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Cl)c1O ZINC000019973807 220309182 /nfs/dbraw/zinc/30/91/82/220309182.db2.gz UKHPKNFTSUIRKB-UHFFFAOYSA-N 0 0 373.836 3.755 50 30 FHEARN C=CCn1c2ccccc2n(C[C@H](O)c2cccc(Br)c2)c1=N ZINC000020057758 220310637 /nfs/dbraw/zinc/31/06/37/220310637.db2.gz LFGMNLBOVWHKLJ-KRWDZBQOSA-N 0 0 372.266 3.604 50 30 FHEARN C/C(=N\N1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000020171699 220318588 /nfs/dbraw/zinc/31/85/88/220318588.db2.gz QNFHCWXWQLNHQX-RCCKNPSSSA-N 0 0 372.856 3.790 50 30 FHEARN C=CCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2ncccn2)c1 ZINC000020736057 220340157 /nfs/dbraw/zinc/34/01/57/220340157.db2.gz PYDBUSGZMDQREC-INIZCTEOSA-N 0 0 361.405 3.659 50 30 FHEARN C=C(C)CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 ZINC000020869852 220344255 /nfs/dbraw/zinc/34/42/55/220344255.db2.gz LDUFEKGCVIGSKF-UHFFFAOYSA-N 0 0 366.490 3.928 50 30 FHEARN N#Cc1cccc(Nc2c3[nH]cccc-3c(=O)n2Cc2ccc(F)cc2)c1 ZINC000021104461 220350734 /nfs/dbraw/zinc/35/07/34/220350734.db2.gz ZKDGRLMATYYIHJ-FQEVSTJZSA-N 0 0 358.376 3.859 50 30 FHEARN C=CCNC(=O)c1c(NC(=O)c2cccc(OC)c2)sc2c1CCCC2 ZINC000027021222 220527748 /nfs/dbraw/zinc/52/77/48/220527748.db2.gz RMUKCMWIRHPIOQ-UHFFFAOYSA-N 0 0 370.474 3.804 50 30 FHEARN N#Cc1nc(C2CC2)oc1N1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000029225587 220596711 /nfs/dbraw/zinc/59/67/11/220596711.db2.gz CFCOVILVFDRFFN-UHFFFAOYSA-N 0 0 360.820 3.538 50 30 FHEARN CSc1ccc(CN(C)S(=O)(=O)c2cc(Cl)ccc2C#N)cc1 ZINC000032825626 220685633 /nfs/dbraw/zinc/68/56/33/220685633.db2.gz VETGKDLNAJNSBT-UHFFFAOYSA-N 0 0 366.895 3.754 50 30 FHEARN C=CCNC(=O)Cc1ccc(N(Cc2ccc(C)cc2)C(=O)C2CC2)cc1 ZINC000037556029 220838932 /nfs/dbraw/zinc/83/89/32/220838932.db2.gz WWXZCYPNIUQOGW-UHFFFAOYSA-N 0 0 362.473 3.783 50 30 FHEARN N#Cc1ccc(Cn2nc(-c3ccc(Br)cc3)ccc2=O)cc1 ZINC000044890609 220963288 /nfs/dbraw/zinc/96/32/88/220963288.db2.gz VKZDSHFAOIUBJR-UHFFFAOYSA-N 0 0 366.218 3.593 50 30 FHEARN CC[C@H](C)NC(=O)Nc1cccc(C#Cc2cccc(C(=O)OC)c2)c1 ZINC000048344373 221009240 /nfs/dbraw/zinc/00/92/40/221009240.db2.gz SUHYLVAIKLVIKW-HNNXBMFYSA-N 0 0 350.418 3.793 50 30 FHEARN Cc1c(C(=O)Nc2ccc(Cl)c(C#N)c2)nnn1-c1ccc(C)cc1 ZINC000055096919 221058243 /nfs/dbraw/zinc/05/82/43/221058243.db2.gz CYOJKOOLIHWDPH-UHFFFAOYSA-N 0 0 351.797 3.662 50 30 FHEARN N#Cc1cc(NCc2nc(-c3ccco3)no2)ccc1OCC(F)(F)F ZINC000055849708 221075449 /nfs/dbraw/zinc/07/54/49/221075449.db2.gz ZJLWNHQQQXNGDB-UHFFFAOYSA-N 0 0 364.283 3.754 50 30 FHEARN N#Cc1cc(NCC(=O)N2CCCCCCC2)ccc1OCC(F)(F)F ZINC000055849755 221075682 /nfs/dbraw/zinc/07/56/82/221075682.db2.gz DBMBQNGFHQDOMN-UHFFFAOYSA-N 0 0 369.387 3.704 50 30 FHEARN CCCCOC(=O)c1ccc(NC(=O)COc2ccc(C#N)cc2C)cc1 ZINC000058177802 221103824 /nfs/dbraw/zinc/10/38/24/221103824.db2.gz WGOHZCRSAKQTED-UHFFFAOYSA-N 0 0 366.417 3.841 50 30 FHEARN N#Cc1cccc(C(=O)N2CCC(c3cnn(-c4ccc(F)cc4)c3)CC2)c1 ZINC000065173087 221175363 /nfs/dbraw/zinc/17/53/63/221175363.db2.gz NTRXYXLYVQCQEN-UHFFFAOYSA-N 0 0 374.419 3.903 50 30 FHEARN CC(C)c1noc(-c2ccc(CNC(=O)c3ccc(C#N)cc3F)s2)n1 ZINC000065196045 221178089 /nfs/dbraw/zinc/17/80/89/221178089.db2.gz NXDKFQRVEADGAU-UHFFFAOYSA-N 0 0 370.409 3.862 50 30 FHEARN C=CCn1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccccc2C)c(C)n1 ZINC000065423675 221217685 /nfs/dbraw/zinc/21/76/85/221217685.db2.gz BQJGJHJMYDFXSW-MRXNPFEDSA-N 0 0 361.449 3.654 50 30 FHEARN C[C@H](C#N)CSc1ccccc1NC(=O)c1ccc(S(C)(=O)=O)cc1 ZINC000065453386 221220846 /nfs/dbraw/zinc/22/08/46/221220846.db2.gz OGYAWIJCDDLUPX-CYBMUJFWSA-N 0 0 374.487 3.594 50 30 FHEARN COc1ccc(-c2n[nH]cc2-c2cc(-c3ccn(C)c3)nc(N)c2C#N)cc1 ZINC000067604434 221261855 /nfs/dbraw/zinc/26/18/55/221261855.db2.gz GNIYMALWOMZMLK-UHFFFAOYSA-N 0 0 370.416 3.607 50 30 FHEARN N#CC1(C(=O)N2CCOc3c(O)cc(-c4cccc(Cl)c4)cc3C2)CC1 ZINC000067773840 221284830 /nfs/dbraw/zinc/28/48/30/221284830.db2.gz YUNHNOPTSADBAJ-UHFFFAOYSA-N 0 0 368.820 3.737 50 30 FHEARN N#Cc1c(N)nc(-c2ccc(O)cc2)cc1-c1cnc(-c2ccco2)nc1 ZINC000067790636 221287110 /nfs/dbraw/zinc/28/71/10/221287110.db2.gz AIISLQYHDGNHST-UHFFFAOYSA-N 0 0 355.357 3.625 50 30 FHEARN N#Cc1c(N)nc(-c2cccnc2)cc1-c1c[nH]nc1-c1ccc(F)cc1 ZINC000067879880 221299326 /nfs/dbraw/zinc/29/93/26/221299326.db2.gz JOVWGKHZRNYHMQ-UHFFFAOYSA-N 0 0 356.364 3.794 50 30 FHEARN COc1ccccc1[C@H](C#N)NC(=O)c1ccc(-c2ccc(F)cc2)n1C ZINC000068355924 221315652 /nfs/dbraw/zinc/31/56/52/221315652.db2.gz JBKSWEWTSQYWFA-KRWDZBQOSA-N 0 0 363.392 3.834 50 30 FHEARN COc1cc(-c2c(C)c([C@@H]3CC3(C)C)nc(N)c2C#N)cc(OC)c1O ZINC000071747690 221359359 /nfs/dbraw/zinc/35/93/59/221359359.db2.gz MNZKRXCVVUYARI-ZDUSSCGKSA-N 0 0 353.422 3.747 50 30 FHEARN CCOc1cc(-c2c3c(nc(N)c2C#N)-c2cccc(O)c2C3)ccc1O ZINC000071752778 221363608 /nfs/dbraw/zinc/36/36/08/221363608.db2.gz RLXRRAZOOSJQTP-UHFFFAOYSA-N 0 0 359.385 3.584 50 30 FHEARN Cn1cc(C=C2SC(=O)N=C2Nc2ccc(Br)cc2)cn1 ZINC000072401116 221494959 /nfs/dbraw/zinc/49/49/59/221494959.db2.gz MNMBOJVBKRIQRD-SDQBBNPISA-N 0 0 363.240 3.915 50 30 FHEARN CSc1cccc(CN2CC(=O)N(c3ccccc3C#N)C[C@@H]2C)c1 ZINC000082109610 132195731 /nfs/dbraw/zinc/19/57/31/132195731.db2.gz PNPUPEWDFLXTDW-HNNXBMFYSA-N 0 0 351.475 3.517 50 30 FHEARN COc1ccc(C(C)C)cc1CN1CCN(c2ccc(C#N)cc2)C(=O)C1 ZINC000082119955 132196062 /nfs/dbraw/zinc/19/60/62/132196062.db2.gz AKCOOCGNEZKQIV-UHFFFAOYSA-N 0 0 363.461 3.539 50 30 FHEARN C[C@@H]1Oc2ccc(Br)cc2N(Cc2ccc(C#N)cc2)C1=O ZINC000215941478 132270633 /nfs/dbraw/zinc/27/06/33/132270633.db2.gz WQHNDHWZVNWJQQ-NSHDSACASA-N 0 0 357.207 3.635 50 30 FHEARN C=CCNc1nnc(S[C@@H](C)C(=O)N2CCCc3ccccc32)s1 ZINC000014014553 132306741 /nfs/dbraw/zinc/30/67/41/132306741.db2.gz BVXXNXKKHBMFTB-LBPRGKRZSA-N 0 0 360.508 3.596 50 30 FHEARN Cc1ccc(N2CCN(/N=C/c3cccc(Br)c3)CC2)cc1 ZINC000001192347 132380876 /nfs/dbraw/zinc/38/08/76/132380876.db2.gz OLTQQYWABJDNSX-XSFVSMFZSA-N 0 0 358.283 3.914 50 30 FHEARN O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)NC(=O)N2c1ccccc1 ZINC000003203686 132384848 /nfs/dbraw/zinc/38/48/48/132384848.db2.gz VTKFROIUIDRZBK-LJQANCHMSA-N 0 0 363.373 3.873 50 30 FHEARN N#Cc1nc(-c2ccccc2F)oc1N1CCN(c2ccccc2F)CC1 ZINC000334162160 136151615 /nfs/dbraw/zinc/15/16/15/136151615.db2.gz KYRKVQJNQVRKTJ-UHFFFAOYSA-N 0 0 366.371 3.818 50 30 FHEARN CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Nc1ccc(C#N)cc1 ZINC000096005561 221988161 /nfs/dbraw/zinc/98/81/61/221988161.db2.gz DTFIGIFECBMCQR-QGZVFWFLSA-N 0 0 372.469 3.812 50 30 FHEARN C=CCn1c(SCc2ccccc2C(=O)NC2CC2)nnc1C(C)C ZINC000096290686 222110566 /nfs/dbraw/zinc/11/05/66/222110566.db2.gz FNDSSKFVAOGITP-UHFFFAOYSA-N 0 0 356.495 3.772 50 30 FHEARN COCCOc1ccc(C(=O)/C=C\c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000096307369 222112829 /nfs/dbraw/zinc/11/28/29/222112829.db2.gz XCPGBZPPJPCBQO-YHYXMXQVSA-N 0 0 372.417 3.634 50 30 FHEARN O=C(/C=C\c1ccccc1Br)c1ccc2c(c1)NC(=O)CO2 ZINC000096920149 222139835 /nfs/dbraw/zinc/13/98/35/222139835.db2.gz VQSTVUCIIZVOLG-ALCCZGGFSA-N 0 0 358.191 3.676 50 30 FHEARN O=C1c2cc(Cl)ccc2S(=O)(=O)C/C1=C/c1ccc(F)c(F)c1 ZINC000096931817 222142771 /nfs/dbraw/zinc/14/27/71/222142771.db2.gz PGBCXHMWBFHHTE-YHYXMXQVSA-N 0 0 354.761 3.672 50 30 FHEARN N#C[C@@H](C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccccn1 ZINC000097001610 222149220 /nfs/dbraw/zinc/14/92/20/222149220.db2.gz FIPZBMYOSQNAJB-GFCCVEGCSA-N 0 0 358.279 3.640 50 30 FHEARN CC1(C)[C@H]2CC[C@]1(C)C(=O)/C2=C/c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000097324149 222174776 /nfs/dbraw/zinc/17/47/76/222174776.db2.gz ZEWUYNOYYXDWTO-FEIWLLDLSA-N 0 0 373.518 3.880 50 30 FHEARN C=C(C)COc1ccc(NC(=O)N2CCC3(CCC(=O)N(C)C3)CC2)cc1 ZINC000097743407 222210064 /nfs/dbraw/zinc/21/00/64/222210064.db2.gz JAQHXWWEKMAHSF-UHFFFAOYSA-N 0 0 371.481 3.508 50 30 FHEARN Cc1csc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n1 ZINC000097941888 222218046 /nfs/dbraw/zinc/21/80/46/222218046.db2.gz DEBUEDAIOKGCGG-UHFFFAOYSA-N 0 0 360.201 3.858 50 30 FHEARN O=C1N/C(=N/C2CCCC2)S/C1=C/c1cc([N+](=O)[O-])ccc1Cl ZINC000097990767 222218965 /nfs/dbraw/zinc/21/89/65/222218965.db2.gz TVCGTLIBXYJSDC-MDWZMJQESA-N 0 0 351.815 3.751 50 30 FHEARN N#C[C@@H](c1ccccc1)c1nc2cc(C(=O)c3ccccc3)ccc2[nH]c1=O ZINC000098071651 222224990 /nfs/dbraw/zinc/22/49/90/222224990.db2.gz JAHIUCLUJXQZRA-SFHVURJKSA-N 0 0 365.392 3.810 50 30 FHEARN CCOC(=O)c1cc(CC)sc1NC=C1C(=O)c2ccccc2C1=O ZINC000100299943 222240463 /nfs/dbraw/zinc/24/04/63/222240463.db2.gz LQCCDGUIYPETIY-KEBDBYFISA-N 0 0 355.415 3.885 50 30 FHEARN CCCCCCNC1=C(C(=O)CCC)C(O)=C(C(=O)OC)C(C)(C)C1 ZINC000100319717 222241569 /nfs/dbraw/zinc/24/15/69/222241569.db2.gz WNVVTARKDGQMJV-QGZVFWFLSA-N 0 0 351.487 3.568 50 30 FHEARN COc1cc(/N=C/c2cc(Br)cc(OC)c2O)cc(OC)c1 ZINC000100317020 222241711 /nfs/dbraw/zinc/24/17/11/222241711.db2.gz QMDYONALYHDASI-GIJQJNRQSA-N 0 0 366.211 3.931 50 30 FHEARN Cc1[nH]nc(NC=C2C(=O)CC(c3ccco3)CC2=O)c1-c1ccccc1 ZINC000101296473 222267863 /nfs/dbraw/zinc/26/78/63/222267863.db2.gz UVROYZCIPZHRDT-UHFFFAOYSA-N 0 0 361.401 3.990 50 30 FHEARN Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C=[NH+]Cc1cccs1 ZINC000102754534 222306426 /nfs/dbraw/zinc/30/64/26/222306426.db2.gz QSYBBAPOXRUGLG-VCHYOVAHSA-N 0 0 354.460 3.764 50 30 FHEARN N#Cc1ccc(NC(=O)c2ccn(-c3cccc(Br)c3)n2)cc1 ZINC000106591823 222386090 /nfs/dbraw/zinc/38/60/90/222386090.db2.gz OZEXANPOQGIHEV-UHFFFAOYSA-N 0 0 367.206 3.759 50 30 FHEARN O=C1c2ccc([O-])c(C[NH+]3CCCCCC3)c2O/C1=C\c1ccncc1 ZINC000002218709 263145066 /nfs/dbraw/zinc/14/50/66/263145066.db2.gz UEGDZQIKUOMVAF-UYRXBGFRSA-N 0 0 350.418 3.779 50 30 FHEARN Cc1ccc(N(CCC#N)C(=O)CSc2ccc3c(c2)OCCO3)cc1 ZINC000002624725 263325981 /nfs/dbraw/zinc/32/59/81/263325981.db2.gz DKQBMDQCVACEHC-UHFFFAOYSA-N 0 0 368.458 3.805 50 30 FHEARN N#Cc1ccccc1OCC(=O)OCc1csc(-c2ccccc2)n1 ZINC000003268963 263328625 /nfs/dbraw/zinc/32/86/25/263328625.db2.gz DFZDRRDIRVNTOG-UHFFFAOYSA-N 0 0 350.399 3.804 50 30 FHEARN CCCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000004502170 263333553 /nfs/dbraw/zinc/33/35/53/263333553.db2.gz HKBKHPJLXFAESV-AWEZNQCLSA-N 0 0 357.450 3.731 50 30 FHEARN O=C(O/N=C/c1ccc(Br)cc1)c1ccc(Br)o1 ZINC000004616395 263334788 /nfs/dbraw/zinc/33/47/88/263334788.db2.gz NCUHSKVFXYYPIG-VIZOYTHASA-N 0 0 373.000 3.996 50 30 FHEARN CC(=NS(=O)(=O)c1ccc(Cl)cc1)Nc1cc(C)c(O)c(C)c1 ZINC000004619033 263335134 /nfs/dbraw/zinc/33/51/34/263335134.db2.gz OVNXKRWYTZSOCO-UHFFFAOYSA-N 0 0 352.843 3.882 50 30 FHEARN N=C(Cc1ccc(Cl)cc1Cl)NOC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000004725424 263336383 /nfs/dbraw/zinc/33/63/83/263336383.db2.gz VVSGBLAFMVCRMF-UHFFFAOYSA-N 0 0 368.176 3.573 50 30 FHEARN COc1ccc(-c2csc(N=NCc3ccc([N+](=O)[O-])cc3)n2)cc1 ZINC000005360835 263340446 /nfs/dbraw/zinc/34/04/46/263340446.db2.gz VPWZJASYEJZCGC-VCHYOVAHSA-N 0 0 354.391 3.595 50 30 FHEARN C=CCn1c(S[C@@H](C)C(=O)NC2CCCC2)nnc1-c1cccc(C)c1 ZINC000008774561 263357184 /nfs/dbraw/zinc/35/71/84/263357184.db2.gz GTVOLGGQEYXVAV-HNNXBMFYSA-N 0 0 370.522 3.979 50 30 FHEARN C=CCCC(=O)N1CCC(n2nccc2NC(=O)c2ccccc2C)CC1 ZINC000012468521 263371317 /nfs/dbraw/zinc/37/13/17/263371317.db2.gz DCDFSMUKWQTWBE-UHFFFAOYSA-N 0 0 366.465 3.574 50 30 FHEARN CC1=C(C(=O)Nc2cccnc2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 ZINC000018195078 263373422 /nfs/dbraw/zinc/37/34/22/263373422.db2.gz JSXXQXZRVNPVPX-LJQANCHMSA-N 0 0 365.458 3.750 50 30 FHEARN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccn2)C2=C(CCCC2=O)N1 ZINC000019535440 263374908 /nfs/dbraw/zinc/37/49/08/263374908.db2.gz JLIBTXSUHRYWSJ-QFIPXVFZSA-N 0 0 374.440 3.793 50 30 FHEARN COc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000019773096 263376005 /nfs/dbraw/zinc/37/60/05/263376005.db2.gz RUAAFVFLSWFFAC-HYARGMPZSA-N 0 0 373.884 3.509 50 30 FHEARN Cn1ccnc1SCC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1 ZINC000026015563 263389343 /nfs/dbraw/zinc/38/93/43/263389343.db2.gz VENYXLORJVRWTF-ZDUSSCGKSA-N 0 0 354.460 3.512 50 30 FHEARN COC(=O)c1ccc2[nH]c(CNC(=O)COc3ccc(C)cc3C)nc2c1 ZINC000328591817 263468864 /nfs/dbraw/zinc/46/88/64/263468864.db2.gz OWLLLZDDWOTDNC-UHFFFAOYSA-N 0 0 367.405 3.502 50 30 FHEARN CC(=O)c1ccc(NC(=Nc2cccnc2)n2sc(C)cc2=N)cc1 ZINC000020343964 518297249 /nfs/dbraw/zinc/29/72/49/518297249.db2.gz SSOCECIYOBVBRF-UHFFFAOYSA-N 0 0 351.435 3.583 50 30 FHEARN C#Cc1cccc(NC(=O)N2CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1 ZINC000058307584 518364817 /nfs/dbraw/zinc/36/48/17/518364817.db2.gz JXOLJXSPLRHERH-KRWDZBQOSA-N 0 0 371.481 3.779 50 30 FHEARN C=C(C)COc1ccccc1C(=O)N[C@H](C)c1nc(-c2cccnc2)no1 ZINC000055099028 518620996 /nfs/dbraw/zinc/62/09/96/518620996.db2.gz ZHCDRKDFMWZGQT-CQSZACIVSA-N 0 0 364.405 3.578 50 30 FHEARN C=C(C)CSc1nnc(SCC(=O)N(C)Cc2ccc(C)o2)s1 ZINC000032745180 518626424 /nfs/dbraw/zinc/62/64/24/518626424.db2.gz FQNHNLJINDJLKS-UHFFFAOYSA-N 0 0 369.537 3.858 50 30 FHEARN C=CCN(C)C(=O)c1nc(CCc2ccccc2)n(-c2ccccc2C)n1 ZINC000034911956 518742292 /nfs/dbraw/zinc/74/22/92/518742292.db2.gz KWXPSBZIEFQUDR-UHFFFAOYSA-N 0 0 360.461 3.619 50 30 FHEARN C=CCN1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O ZINC000002338207 518872294 /nfs/dbraw/zinc/87/22/94/518872294.db2.gz ICCTZJXFYUCIOA-QGZVFWFLSA-N 0 0 361.445 3.617 50 30 FHEARN C=CCOc1ccc(CN(C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 ZINC000008745259 519030131 /nfs/dbraw/zinc/03/01/31/519030131.db2.gz QUIYEIJMIIESCK-UHFFFAOYSA-N 0 0 354.406 3.687 50 30 FHEARN C=CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2)cc1 ZINC000002812180 519039892 /nfs/dbraw/zinc/03/98/92/519039892.db2.gz JKYDUXCXFCOPEC-QGZVFWFLSA-N 0 0 364.445 3.860 50 30 FHEARN C=CCSc1ccccc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000007499545 519077683 /nfs/dbraw/zinc/07/76/83/519077683.db2.gz OGOYKMGRYHVJIN-UHFFFAOYSA-N 0 0 368.502 3.936 50 30 FHEARN C=CC[C@@H]1CC=C[C@@H](c2ccccc2)N1C(=O)CC[C@]1(C)CCC(=O)N1 ZINC000012512955 519110040 /nfs/dbraw/zinc/11/00/40/519110040.db2.gz GKBMRHIOOXQHCX-DXIQSLLYSA-N 0 0 352.478 3.910 50 30 FHEARN C=CCn1c(=O)c2oc3ccccc3c2nc1SCC(=O)c1ccc[nH]1 ZINC000014021583 519162373 /nfs/dbraw/zinc/16/23/73/519162373.db2.gz RLHFWABUKXGCMF-UHFFFAOYSA-N 0 0 365.414 3.632 50 30 FHEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccncc3)o2)c1C ZINC000009722475 519171539 /nfs/dbraw/zinc/17/15/39/519171539.db2.gz ZYFKRSMWXMRJFH-UHFFFAOYSA-N 0 0 354.435 3.711 50 30 FHEARN C=CCn1c(SCc2cccc([N+](=O)[O-])c2)nnc1-c1ccncc1 ZINC000006905117 519243273 /nfs/dbraw/zinc/24/32/73/519243273.db2.gz BRKXZODMBSZWLI-UHFFFAOYSA-N 0 0 353.407 3.727 50 30 FHEARN C=CCn1c2ccccc2nc1N1CCC(C(=O)NCCC(C)C)CC1 ZINC000034906481 519267344 /nfs/dbraw/zinc/26/73/44/519267344.db2.gz KKEBFMUQHMAMRE-UHFFFAOYSA-N 0 0 354.498 3.601 50 30 FHEARN CC(C)COC(=NC(=O)c1ccc2c(c1)OCO2)N[C@@H](C)c1ccccc1 ZINC000004765733 519750009 /nfs/dbraw/zinc/75/00/09/519750009.db2.gz KJKPEISWPONFHC-HNNXBMFYSA-N 0 0 368.433 3.935 50 30 FHEARN CC(=O)OCC(=O)C1=CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)C3=CC[C@@]12C ZINC000253530019 519755102 /nfs/dbraw/zinc/75/51/02/519755102.db2.gz UFEOMHFPJREVTP-OUVAMTEUSA-N 0 0 366.457 3.883 50 30 FHEARN CC(C)n1ncc2cc(C(=O)[C@@H](C#N)c3ccc(C(F)(F)F)cn3)cnc21 ZINC000041553570 520082850 /nfs/dbraw/zinc/08/28/50/520082850.db2.gz AIAFTZNKDPZVNE-AWEZNQCLSA-N 0 0 373.338 3.916 50 30 FHEARN CCCCCOc1ccccc1CN=Nc1nn2cnnc2c2ccccc21 ZINC000001781630 520259934 /nfs/dbraw/zinc/25/99/34/520259934.db2.gz ZFGQUHHMWMCQSR-HYARGMPZSA-N 0 0 374.448 3.714 50 30 FHEARN CCCCCc1ccc(C(C)N=Nc2cc(N3CCOCC3)ncn2)cc1 ZINC000004947106 520322986 /nfs/dbraw/zinc/32/29/86/520322986.db2.gz CNUNKUGQRNGCKH-JJIBRWJFSA-N 0 0 367.497 3.882 50 30 FHEARN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccc(C)n2)C1=O ZINC000036258389 520538532 /nfs/dbraw/zinc/53/85/32/520538532.db2.gz CYWXEKSUSFTAPN-FOWTUZBSSA-N 0 0 366.442 3.934 50 30 FHEARN CCOc1cc(/C=C\C(=O)c2ccc(N3CCCC3=O)cc2)ccc1O ZINC000096919915 520637758 /nfs/dbraw/zinc/63/77/58/520637758.db2.gz DLHKFJBDSRLXEZ-WZUFQYTHSA-N 0 0 351.402 3.814 50 30 FHEARN CCN(CC)c1ccc(CN=NC(=S)NCc2ccc(OC)cc2)cc1 ZINC000008691969 520881330 /nfs/dbraw/zinc/88/13/30/520881330.db2.gz LNWZCAHWHXGGAY-PXLXIMEGSA-N 0 0 370.522 3.951 50 30 FHEARN CCC(=O)N(c1nnc(S[C@@H](C#N)Cc2ccc(C)cc2)s1)C1CC1 ZINC000009516316 521092163 /nfs/dbraw/zinc/09/21/63/521092163.db2.gz SYKFWEIRCXPBHT-OAHLLOKOSA-N 0 0 372.519 3.979 50 30 FHEARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(F)c1)C2=O ZINC000005967434 521216785 /nfs/dbraw/zinc/21/67/85/521216785.db2.gz QROSOHFEKKTKPA-XACIZNRCSA-N 0 0 356.349 3.772 50 30 FHEARN CCOC(=O)c1sc(N=NCc2cccc(Br)c2)nc1C ZINC000003959053 521610924 /nfs/dbraw/zinc/61/09/24/521610924.db2.gz ZKNJICDVJPXFAO-LZYBPNLTSA-N 0 0 368.256 3.837 50 30 FHEARN COc1cc(/C(C)=N/N2CCN(Cc3ccccc3Cl)CC2)ccc1O ZINC000020158463 521923289 /nfs/dbraw/zinc/92/32/89/521923289.db2.gz NZUFXICBKOAXQH-PXLXIMEGSA-N 0 0 373.884 3.596 50 30 FHEARN COc1cc(/C=N/n2cnnc2)ccc1OCc1cccc2ccccc21 ZINC000001185691 522004200 /nfs/dbraw/zinc/00/42/00/522004200.db2.gz CRGSMAITGXOILE-WYMPLXKRSA-N 0 0 358.401 3.901 50 30 FHEARN CCc1nc(C)c(CNC(=O)CC2=C(c3ccccc3)CCC2=O)s1 ZINC000299794994 522202124 /nfs/dbraw/zinc/20/21/24/522202124.db2.gz LDRWDVPCISLDER-UHFFFAOYSA-N 0 0 354.475 3.837 50 30 FHEARN CN(CCC#N)C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 ZINC000008945534 522671055 /nfs/dbraw/zinc/67/10/55/522671055.db2.gz RJHCIARNJPDXJA-UHFFFAOYSA-N 0 0 373.482 3.507 50 30 FHEARN COC(=O)/C=C1\CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]12C ZINC000257359332 522742232 /nfs/dbraw/zinc/74/22/32/522742232.db2.gz ZRBBCVQLZFVRCK-YOSHLFPMSA-N 0 0 354.446 3.573 50 30 FHEARN CCC1N=NC(=S)N1N=Cc1ccc(COc2cccc(Cl)c2)o1 ZINC000036611444 522781123 /nfs/dbraw/zinc/78/11/23/522781123.db2.gz UDPRRCZBOPSZKH-GIJQJNRQSA-N 0 0 362.842 3.837 50 30 FHEARN COC(=O)CC(CSc1ccccc1)N=Nc1ccc([N+](=O)[O-])cc1 ZINC000004473859 522807284 /nfs/dbraw/zinc/80/72/84/522807284.db2.gz WCAAYLNFARHRKP-XMHGGMMESA-N 0 0 359.407 3.718 50 30 FHEARN CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)NCC#Cc1ccccc1 ZINC000032802824 523269499 /nfs/dbraw/zinc/26/94/99/523269499.db2.gz PBYPSZLZRGLVRJ-UHFFFAOYSA-N 0 0 362.351 3.778 50 30 FHEARN COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)cc2OC)c(OC)c1 ZINC000003998045 523539788 /nfs/dbraw/zinc/53/97/88/523539788.db2.gz DAMGHECXARIGRQ-RMKNXTFCSA-N 0 0 358.390 3.626 50 30 FHEARN COc1ccc(C(=O)OCC#CCSc2nc3ccccc3o2)cc1 ZINC000002184299 523770985 /nfs/dbraw/zinc/77/09/85/523770985.db2.gz ABAQWMMNRNUZHB-UHFFFAOYSA-N 0 0 353.399 3.789 50 30 FHEARN CN(C(=O)COc1ccc(Br)cc1F)C1(C#N)CCCCC1 ZINC000021276164 523833760 /nfs/dbraw/zinc/83/37/60/523833760.db2.gz DJRDESDTENOESG-UHFFFAOYSA-N 0 0 369.234 3.652 50 30 FHEARN COc1cccc([C@H]2CCCN2C(=O)c2ccc(C#CC(C)(C)O)cc2)c1 ZINC000244718871 524177586 /nfs/dbraw/zinc/17/75/86/524177586.db2.gz LSOKBGSNESTGKC-OAQYLSRUSA-N 0 0 363.457 3.795 50 30 FHEARN Cc1ccc(NC(=NOCc2ccc(Cl)cc2)c2nonc2N)cc1 ZINC000015161917 524912671 /nfs/dbraw/zinc/91/26/71/524912671.db2.gz FHFXKBBRTFZGNR-UHFFFAOYSA-N 0 0 357.801 3.604 50 30 FHEARN COc1cccc(C(=O)C=C(C)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000004998798 525780228 /nfs/dbraw/zinc/78/02/28/525780228.db2.gz IKDKUAPLBUGVSS-JQIJEIRASA-N 0 0 352.434 3.730 50 30 FHEARN COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)c1 ZINC000005782829 525840448 /nfs/dbraw/zinc/84/04/48/525840448.db2.gz UJOHRBYAEQVCSG-JMIUGGIZSA-N 0 0 373.364 3.926 50 30 biogenic FHEARN Cc1ccc(C(C)C)c(OCC(=O)NC2=NCC(=O)N2c2ccccc2)c1 ZINC000017179789 526247269 /nfs/dbraw/zinc/24/72/69/526247269.db2.gz JSNWDDDOXVXQSA-UHFFFAOYSA-N 0 0 365.433 3.857 50 30 FHEARN Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)Cc1ccc(C)cc1C ZINC000025600063 526275050 /nfs/dbraw/zinc/27/50/50/526275050.db2.gz ZIVRXGOBROUAFG-UHFFFAOYSA-N 0 0 352.482 3.622 50 30 FHEARN N#CCCN(C(=O)COC(=O)Cc1cccc2ccccc21)c1ccccc1 ZINC000003235720 526448714 /nfs/dbraw/zinc/44/87/14/526448714.db2.gz VLZORJFXLTVWCH-UHFFFAOYSA-N 0 0 372.424 3.872 50 30 FHEARN N#CCCN(C(=O)COC(=O)c1ccc(Cl)s1)c1ccccc1F ZINC000036822394 526450719 /nfs/dbraw/zinc/45/07/19/526450719.db2.gz RFAKACJQASZBPJ-UHFFFAOYSA-N 0 0 366.801 3.644 50 30 FHEARN N#CCCn1c2ccccc2nc1SCCS(=O)(=O)c1ccccc1 ZINC000011426787 526465849 /nfs/dbraw/zinc/46/58/49/526465849.db2.gz ISNJDNWPUZEXPE-UHFFFAOYSA-N 0 0 371.487 3.516 50 30 FHEARN N#CCc1cccc(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1 ZINC000066686340 526486032 /nfs/dbraw/zinc/48/60/32/526486032.db2.gz OWXBVRYIIDRGQJ-SFHVURJKSA-N 0 0 358.800 3.759 50 30 FHEARN O=C(c1ccccc1)c1cn(N=Cc2ccco2)c(=O)nc1-c1ccccc1 ZINC000252620813 526798494 /nfs/dbraw/zinc/79/84/94/526798494.db2.gz MMNDZLVQZCVFRB-UHFFFAOYSA-N 0 0 369.380 3.617 50 30 FHEARN O=C(CSc1n[nH]c(N=NC2CCCCCC2)n1)OCc1ccccc1 ZINC000020522773 527049565 /nfs/dbraw/zinc/04/95/65/527049565.db2.gz NYWDMOSFMYYTGV-UHFFFAOYSA-N 0 0 373.482 3.762 50 30 FHEARN O=S(=O)(Cc1ccccc1)CC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000100424607 527196084 /nfs/dbraw/zinc/19/60/84/527196084.db2.gz VZYUOWGCHSHYEE-UHFFFAOYSA-N 0 0 370.261 3.772 50 30 FHEARN O=C(C=Cc1ccco1)C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 ZINC000001115625 527638921 /nfs/dbraw/zinc/63/89/21/527638921.db2.gz BXFBPGZEDQHGMW-MDRMPYQZSA-N 0 0 373.408 3.687 50 30 FHEARN N#CC1(c2ccccc2)CCN(Cc2cnc(N3CCCC3)s2)CC1 ZINC000216140105 568107985 /nfs/dbraw/zinc/10/79/85/568107985.db2.gz AZSNRCHGLAOFNA-UHFFFAOYSA-N 0 0 352.507 3.801 50 30 FHEARN CCOc1ccc([C@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012347496 568282917 /nfs/dbraw/zinc/28/29/17/568282917.db2.gz RPQLNUCFPVDNBT-OAHLLOKOSA-N 0 0 353.422 3.715 50 30 FHEARN C=CCOc1ccc([C@@H]2c3c([nH][nH]c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012347645 568284676 /nfs/dbraw/zinc/28/46/76/568284676.db2.gz PAVNCCIQFMHCJD-INIZCTEOSA-N 0 0 365.433 3.881 50 30 FHEARN C=CCNC(=S)N=NCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000012374171 568542251 /nfs/dbraw/zinc/54/22/51/568542251.db2.gz WDZHTTLMRJXFPY-BKUYFWCQSA-N 0 0 355.463 3.670 50 30 FHEARN CN1CCCN(Cc2nnc(-c3ccc(C#N)cc3)o2)c2cc(F)ccc21 ZINC000072685809 570448856 /nfs/dbraw/zinc/44/88/56/570448856.db2.gz SETUZIZKHBGUMA-UHFFFAOYSA-N 0 0 363.396 3.594 50 30 FHEARN COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)c1ccco1 ZINC000000939882 570464360 /nfs/dbraw/zinc/46/43/60/570464360.db2.gz KRBZMDMJWMHFOX-UHFFFAOYSA-N 0 0 374.348 3.970 50 30 FHEARN CSCC[C@@H](C=O)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000095929096 570471876 /nfs/dbraw/zinc/47/18/76/570471876.db2.gz XCABZTKGNAMBJK-AWEZNQCLSA-N 0 0 355.459 3.846 50 30 FHEARN COc1ccc(NC(=S)N/N=C/c2ccc(N(C)C)cc2Cl)cc1 ZINC000001041723 570475430 /nfs/dbraw/zinc/47/54/30/570475430.db2.gz QJIHUMZRWKRTGU-YBFXNURJSA-N 0 0 362.886 3.735 50 30 FHEARN C=CCc1cc(/C=N/NC(=S)Nc2ccccc2)cc(OCC)c1O ZINC000001096988 570480190 /nfs/dbraw/zinc/48/01/90/570480190.db2.gz HJROTKMQBXGMGU-DEDYPNTBSA-N 0 0 355.463 3.840 50 30 FHEARN Cn1c(=O)cc(NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc21 ZINC000004833787 570524646 /nfs/dbraw/zinc/52/46/46/570524646.db2.gz KVFMDLHCRGIFOU-VXLYETTFSA-N 0 0 356.769 3.546 50 30 FHEARN C=CCSC1=N/C(=C\c2cc([N+](=O)[O-])ccc2OCC)C(=O)S1 ZINC000003002122 570549393 /nfs/dbraw/zinc/54/93/93/570549393.db2.gz KTJUENIMGLWAJT-XFXZXTDPSA-N 0 0 350.421 3.883 50 30 FHEARN CCOc1ccc(S(=O)(=O)NN=C2CCC(C(C)(C)C)CC2)cc1 ZINC000004863601 570552608 /nfs/dbraw/zinc/55/26/08/570552608.db2.gz IXQLBCSCQSZXMS-UHFFFAOYSA-N 0 0 352.500 3.956 50 30 FHEARN COc1ccc(N=CC=CNc2ccc(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000100470355 570561095 /nfs/dbraw/zinc/56/10/95/570561095.db2.gz LVZMPVOKQVLUMB-PBLMUUEVSA-N 0 0 372.337 3.848 50 30 FHEARN O=C(NOC(=O)c1cc(Br)ccc1Cl)c1cccs1 ZINC000004949222 570565574 /nfs/dbraw/zinc/56/55/74/570565574.db2.gz PRNCUYJIZCTFHC-UHFFFAOYSA-N 0 0 360.616 3.666 50 30 FHEARN Cc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000033667179 570574193 /nfs/dbraw/zinc/57/41/93/570574193.db2.gz GWKGJNDKCUCJBS-AUDIELBWSA-N 0 0 355.438 3.988 50 30 FHEARN O=C(O/N=C1\CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccco1 ZINC000004072823 570574639 /nfs/dbraw/zinc/57/46/39/570574639.db2.gz QVLBZDANHVVABB-LBBLGXEFSA-N 0 0 373.321 3.967 50 30 FHEARN NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1cc(Cl)cc(Cl)c1 ZINC000005012156 570575039 /nfs/dbraw/zinc/57/50/39/570575039.db2.gz MMMVZXTVRHQMOF-UHFFFAOYSA-N 0 0 359.216 3.586 50 30 FHEARN CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccco1 ZINC000004083025 570575058 /nfs/dbraw/zinc/57/50/58/570575058.db2.gz LUDYOKCZETWCOX-FSSWDIPSSA-N 0 0 367.445 3.987 50 30 FHEARN COc1ccc(-c2ccc(C(=O)Nc3ccccc3C#N)o2)c([N+](=O)[O-])c1 ZINC000005034603 570577795 /nfs/dbraw/zinc/57/77/95/570577795.db2.gz FTQSEVBAEAVMET-UHFFFAOYSA-N 0 0 363.329 3.987 50 30 FHEARN Cc1cccc(Nc2nc3no[nH]c-3nc2=NN=Cc2ccc(F)cc2)c1 ZINC000004179354 570580533 /nfs/dbraw/zinc/58/05/33/570580533.db2.gz FBJTYHDRDXSZSJ-KEBDBYFISA-N 0 0 363.356 3.650 50 30 FHEARN COc1ccc(/C(C)=N/N=C2\NC(=O)[C@H](Cc3ccc(C)cc3)S2)cc1 ZINC000005124057 570587030 /nfs/dbraw/zinc/58/70/30/570587030.db2.gz KSRPXQBWLYPLBL-OVBDPADQSA-N 0 0 367.474 3.558 50 30 FHEARN CSc1nc2n(n1)[C@H](c1ccccc1C)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436302 570591118 /nfs/dbraw/zinc/59/11/18/570591118.db2.gz IJJJXRACWZTZNT-MRXNPFEDSA-N 0 0 354.479 3.967 50 30 FHEARN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccco1 ZINC000004629606 570598075 /nfs/dbraw/zinc/59/80/75/570598075.db2.gz BUPKFBVRGOGNIQ-SFHVURJKSA-N 0 0 369.417 3.673 50 30 FHEARN CCn1ncc(/C=C/C(=O)c2ccc(I)cc2)c1C ZINC000004651485 570598626 /nfs/dbraw/zinc/59/86/26/570598626.db2.gz NDCGEHDPGMPKRW-RMKNXTFCSA-N 0 0 366.202 3.712 50 30 FHEARN O=C1CCCC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3cc(F)cc(F)c3)C12 ZINC000004737004 570604178 /nfs/dbraw/zinc/60/41/78/570604178.db2.gz KWJRFJBYVQUZCR-ZDUSSCGKSA-N 0 0 370.281 3.597 50 30 FHEARN C=CCOc1ccc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cc1OC ZINC000004832384 570609348 /nfs/dbraw/zinc/60/93/48/570609348.db2.gz VHKBWVBTPWULCX-QPJJXVBHSA-N 0 0 352.386 3.927 50 30 FHEARN COc1ccc(C[C@@H]2S/C(=N/N=C/c3ccccc3Cl)NC2=O)cc1 ZINC000004888920 570612372 /nfs/dbraw/zinc/61/23/72/570612372.db2.gz LTNGHDBUBYMIGN-YODDIOPGSA-N 0 0 373.865 3.513 50 30 FHEARN N#Cc1ccc(O)c(-c2cccc(C(=O)N(CCO)C3CCCCC3)c2)c1 ZINC000534634875 570620241 /nfs/dbraw/zinc/62/02/41/570620241.db2.gz GWUPADUIJLLKAZ-UHFFFAOYSA-N 0 0 364.445 3.698 50 30 FHEARN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1 ZINC000005095178 570621085 /nfs/dbraw/zinc/62/10/85/570621085.db2.gz GGPWXZRABYKDDH-LJQANCHMSA-N 0 0 365.458 3.750 50 30 FHEARN COC(=O)c1ccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc1 ZINC000005376885 570625599 /nfs/dbraw/zinc/62/55/99/570625599.db2.gz KOXDXOQPORECKU-GDNBJRDFSA-N 0 0 356.378 3.504 50 30 FHEARN O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccncc1)c1ccccc1 ZINC000005409278 570626300 /nfs/dbraw/zinc/62/63/00/570626300.db2.gz FNPDHQWFCICVSC-FQEVSTJZSA-N 0 0 370.408 3.860 50 30 FHEARN CCC(=O)N[C@@H](Nc1sc2c(c1C#N)CCC2)C(Cl)(Cl)Cl ZINC000005241834 570638532 /nfs/dbraw/zinc/63/85/32/570638532.db2.gz GHETYDIMCRQHPL-LBPRGKRZSA-N 0 0 366.701 3.743 50 30 FHEARN COc1cc(C=NNc2ccc(Br)cc2)cc(OC)c1O ZINC000006380694 570646176 /nfs/dbraw/zinc/64/61/76/570646176.db2.gz WZTRTUHWJNBTTL-RQZCQDPDSA-N 0 0 351.200 3.618 50 30 FHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C)cc1 ZINC000006407218 570646752 /nfs/dbraw/zinc/64/67/52/570646752.db2.gz SGJXROWDQQFGNE-LJQANCHMSA-N 0 0 365.429 3.610 50 30 FHEARN Cc1sc2nc(C)nc(SCC(=O)N[C@](C)(C#N)C(C)C)c2c1C ZINC000005428861 570655079 /nfs/dbraw/zinc/65/50/79/570655079.db2.gz HPXANLDSCSDVQP-QGZVFWFLSA-N 0 0 362.524 3.763 50 30 FHEARN COc1ccccc1-n1c2ccc([N+](=O)[O-])cc2nc1S[C@@H](C)C#N ZINC000004485742 570667657 /nfs/dbraw/zinc/66/76/57/570667657.db2.gz CWMLGYCQNXSSFS-NSHDSACASA-N 0 0 354.391 3.946 50 30 FHEARN NC(=S)N/N=C/c1ccccc1OCCSc1ccc(Cl)cc1 ZINC000008830303 570688469 /nfs/dbraw/zinc/68/84/69/570688469.db2.gz XHKYETSPFSDHAH-YBFXNURJSA-N 0 0 365.911 3.678 50 30 aggregator FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cccs1 ZINC000008973534 570690525 /nfs/dbraw/zinc/69/05/25/570690525.db2.gz NVHALUAPJQSMDJ-INIZCTEOSA-N 0 0 351.427 3.880 50 30 FHEARN C/N=C1\S/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C(=O)N1C ZINC000009264538 570693885 /nfs/dbraw/zinc/69/38/85/570693885.db2.gz GWPYTXZHYRTKIW-KDWIEBRMSA-N 0 0 368.506 3.692 50 30 FHEARN COCc1nnc(SCc2ccc(C#N)cc2)n1-c1ccccc1C ZINC000004366379 570760414 /nfs/dbraw/zinc/76/04/14/570760414.db2.gz RTVFAJVHJTWJCR-UHFFFAOYSA-N 0 0 350.447 3.886 50 30 FHEARN C=CCSc1nnc(-c2cc3c(C(F)(F)F)nn(C)c3s2)n1C ZINC000005670026 570798766 /nfs/dbraw/zinc/79/87/66/570798766.db2.gz KSLXVWYPTSZVGP-UHFFFAOYSA-N 0 0 359.402 3.727 50 30 FHEARN N#CC1(NC(=O)CN[C@@H](c2cccs2)c2ccc(F)cc2)CCCC1 ZINC000014141754 570808872 /nfs/dbraw/zinc/80/88/72/570808872.db2.gz PANDDZMPOTUJED-GOSISDBHSA-N 0 0 357.454 3.519 50 30 FHEARN CN(C(=O)CNc1ccc(Br)cc1)C1(C#N)CCCCC1 ZINC000014914480 570826387 /nfs/dbraw/zinc/82/63/87/570826387.db2.gz TYHRIEVXLJCDDP-UHFFFAOYSA-N 0 0 350.260 3.546 50 30 FHEARN CCOC(=O)c1ccc(C#N)c(SCCOc2ccccc2C(C)=O)n1 ZINC000032899301 570839097 /nfs/dbraw/zinc/83/90/97/570839097.db2.gz WOMQRLFFDVAWDD-UHFFFAOYSA-N 0 0 370.430 3.504 50 30 FHEARN COc1cc(OC)c(NC=CC(=O)c2ccc3c(c2)OCO3)cc1Cl ZINC000044842797 570901111 /nfs/dbraw/zinc/90/11/11/570901111.db2.gz XHNGVTTWZRNKOP-AATRIKPKSA-N 0 0 361.781 3.894 50 30 FHEARN N#CCCN(C(=O)CN1CCC[C@H]1c1ccsc1)c1ccccc1F ZINC000046089286 570926325 /nfs/dbraw/zinc/92/63/25/570926325.db2.gz ANJUOSNLXDQQOV-KRWDZBQOSA-N 0 0 357.454 3.971 50 30 FHEARN Cc1cccc(NC(=NC(=O)c2cccc(C)c2)NC[C@H]2CCCO2)c1 ZINC000046130479 570928181 /nfs/dbraw/zinc/92/81/81/570928181.db2.gz JJLXACZZJUPVET-LJQANCHMSA-N 0 0 351.450 3.680 50 30 FHEARN Cc1cc(C)cc(NC(=NC(=O)c2ccccc2)NC[C@H]2CCCO2)c1 ZINC000046131529 570928512 /nfs/dbraw/zinc/92/85/12/570928512.db2.gz ZRWUKGOPEDRASP-LJQANCHMSA-N 0 0 351.450 3.680 50 30 FHEARN N#Cc1cccc(COc2cccc(NC(=O)NCc3ccccn3)c2)c1 ZINC000048319512 570945432 /nfs/dbraw/zinc/94/54/32/570945432.db2.gz WLOSILJKLGXFFK-UHFFFAOYSA-N 0 0 358.401 3.854 50 30 FHEARN CCOc1ccc([C@@H](C)NC(=O)COc2ccc(C#N)cc2OCC)cc1 ZINC000010978847 570992550 /nfs/dbraw/zinc/99/25/50/570992550.db2.gz WXNSNIDAFUICLX-OAHLLOKOSA-N 0 0 368.433 3.612 50 30 FHEARN COc1cc(CCC2CCN(C[C@H](C#N)CCC#N)CC2)cc(OC)c1 ZINC000025307388 570993700 /nfs/dbraw/zinc/99/37/00/570993700.db2.gz PACDXTMNYZFGGL-IBGZPJMESA-N 0 0 355.482 3.792 50 30 FHEARN N#CCCN(C(=O)CN1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000025360182 570994804 /nfs/dbraw/zinc/99/48/04/570994804.db2.gz LTSGXQXNYYLBQI-FQEVSTJZSA-N 0 0 351.425 3.909 50 30 FHEARN Cc1nn(-c2ccccc2)c(COc2ccc(-c3nnco3)cc2)c1C#N ZINC000027359932 571012228 /nfs/dbraw/zinc/01/22/28/571012228.db2.gz FXVOYMKOTYIRNL-UHFFFAOYSA-N 0 0 357.373 3.681 50 30 FHEARN Cn1c(-c2ccccc2)nnc1C(C#N)C(=O)C1(c2ccc(F)cc2)CCC1 ZINC000066867287 571041210 /nfs/dbraw/zinc/04/12/10/571041210.db2.gz BBYBOVYSYZOPFT-SFHVURJKSA-N 0 0 374.419 3.919 50 30 FHEARN COc1ccc([C@H]2CCCCCN2S(=O)(=O)c2cccc(C#N)c2)cc1 ZINC000008342943 571041859 /nfs/dbraw/zinc/04/18/59/571041859.db2.gz CFDWKYUXHVNEAO-HXUWFJFHSA-N 0 0 370.474 3.873 50 30 FHEARN N#Cc1ccccc1[C@@H]1[C@@H]2CCCC=C2c2c(N)snc2C1(C#N)C#N ZINC000008382545 571042747 /nfs/dbraw/zinc/04/27/47/571042747.db2.gz MELADKHDKLWJDX-NVXWUHKLSA-N 0 0 357.442 3.863 50 30 FHEARN CCOC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@H]1c1ccc(C#N)cc1 ZINC000008395813 571045129 /nfs/dbraw/zinc/04/51/29/571045129.db2.gz XPJUTVYCCXAJKL-SFHVURJKSA-N 0 0 355.438 3.508 50 30 FHEARN C=CCn1c2scc(CC(C)C)c2c2nc(-c3cccnc3)nn2c1=O ZINC000032101012 571049326 /nfs/dbraw/zinc/04/93/26/571049326.db2.gz WCZSTMYOWBISNR-UHFFFAOYSA-N 0 0 365.462 3.552 50 30 FHEARN C[C@@H]1CCc2c(C(=O)OCC(=O)Nc3ccc(C#N)cc3)csc2C1 ZINC000008669599 571054573 /nfs/dbraw/zinc/05/45/73/571054573.db2.gz GDRVPWORNLIBJD-GFCCVEGCSA-N 0 0 354.431 3.540 50 30 FHEARN C=C(C)COc1cccc(C(=O)NCCC(=O)Nc2ccccc2C)c1 ZINC000055270019 571058686 /nfs/dbraw/zinc/05/86/86/571058686.db2.gz CGHKDTAGHYVKIW-UHFFFAOYSA-N 0 0 352.434 3.709 50 30 FHEARN CCOc1ccc(C(=O)N=C(NCc2ccccn2)Nc2ccccc2)cc1 ZINC000046125213 571064624 /nfs/dbraw/zinc/06/46/24/571064624.db2.gz YNWCAMPKMXGENQ-UHFFFAOYSA-N 0 0 374.444 3.878 50 30 FHEARN CN(C)N1C(=O)C[C@H](c2ccc(Cl)cc2Cl)C2=C1CCCC2=O ZINC000001423014 571073382 /nfs/dbraw/zinc/07/33/82/571073382.db2.gz UQEBPFNIEZGRAK-GFCCVEGCSA-N 0 0 353.249 3.793 50 30 FHEARN Cc1ccc(-n2c3c(cc(C#N)c2=O)C(=O)C[C@@H](c2ccccc2)C3)cc1 ZINC000032985425 571082794 /nfs/dbraw/zinc/08/27/94/571082794.db2.gz RRNKPRGJMLRCRS-KRWDZBQOSA-N 0 0 354.409 3.930 50 30 FHEARN CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccccc1OCC)C2=O ZINC000008990579 571089383 /nfs/dbraw/zinc/08/93/83/571089383.db2.gz CPOWGIBBKDRIDB-ODLFYWEKSA-N 0 0 368.385 3.643 50 30 FHEARN C#CCSc1nc2ccccc2n1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000004251685 571102119 /nfs/dbraw/zinc/10/21/19/571102119.db2.gz ZGZYPVFINTVHOK-CSKARUKUSA-N 0 0 362.410 3.844 50 30 FHEARN CCCCN1C(C(=O)c2ccccc2)=C(OC)c2ccccc2S1(=O)=O ZINC000009450274 571109813 /nfs/dbraw/zinc/10/98/13/571109813.db2.gz YTKSOQKIOWYLRE-UHFFFAOYSA-N 0 0 371.458 3.689 50 30 FHEARN CCCC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2cccc(C#N)c2)C1=O ZINC000009477469 571110325 /nfs/dbraw/zinc/11/03/25/571110325.db2.gz JXQILNDZHNGKLX-NRFANRHFSA-N 0 0 365.408 3.835 50 30 FHEARN C=CCNC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1 ZINC000008554496 571111401 /nfs/dbraw/zinc/11/14/01/571111401.db2.gz CCXBARUZQRFUMM-UHFFFAOYSA-N 0 0 360.413 3.773 50 30 FHEARN CCOc1ccccc1/C=C1\Oc2cc(O[C@@H](C)C(=O)OC)ccc2C1=O ZINC000009575471 571113830 /nfs/dbraw/zinc/11/38/30/571113830.db2.gz MWQPBHGEOBWTLI-JFENUBAZSA-N 0 0 368.385 3.642 50 30 FHEARN C=CCNC(=O)c1csc2nc(-c3cccc(C(F)(F)F)c3)cn12 ZINC000012300214 571117643 /nfs/dbraw/zinc/11/76/43/571117643.db2.gz YHTAQOCQQGHCPV-UHFFFAOYSA-N 0 0 351.353 3.997 50 30 FHEARN C=CCn1c(SCC(=O)c2cccs2)nc2sc(C)cc2c1=O ZINC000000784829 571123039 /nfs/dbraw/zinc/12/30/39/571123039.db2.gz XLMCPNJKLUUVNU-UHFFFAOYSA-N 0 0 362.501 3.989 50 30 FHEARN C=CCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1ccccc1 ZINC000001803472 571124220 /nfs/dbraw/zinc/12/42/20/571124220.db2.gz XTNPDALGDVOCLE-FQEVSTJZSA-N 0 0 368.502 3.712 50 30 FHEARN C=CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000002058740 571124724 /nfs/dbraw/zinc/12/47/24/571124724.db2.gz NACOHXPXLCDGLI-CQSZACIVSA-N 0 0 355.221 3.693 50 30 FHEARN COc1ccc(-c2nc(CC(=O)OCc3ccccc3C#N)cs2)cc1 ZINC000010318837 571124866 /nfs/dbraw/zinc/12/48/66/571124866.db2.gz KCYVIOXYOSLETP-UHFFFAOYSA-N 0 0 364.426 3.976 50 30 FHEARN COc1cc2c(cc1OC)C(=O)/C(=C\c1cc(OC)c(OC)cc1OC)C2 ZINC000085879884 571127394 /nfs/dbraw/zinc/12/73/94/571127394.db2.gz KKZFHPPSQFTEAI-AUWJEWJLSA-N 0 0 370.401 3.552 50 30 FHEARN CCOC(=O)[C@H]1C(=O)N(O)C[C@H]1c1cccc(Oc2ccc(CC)cc2)c1 ZINC000003997640 571129780 /nfs/dbraw/zinc/12/97/80/571129780.db2.gz PCABVTNIDXAZMY-RBUKOAKNSA-N 0 0 369.417 3.536 50 30 FHEARN CN(C)/C=C/C(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000072233811 571133871 /nfs/dbraw/zinc/13/38/71/571133871.db2.gz YDZYOZUOSYKTFG-SDNWHVSQSA-N 0 0 358.482 3.600 50 30 FHEARN N#Cc1cc2c(nc1S[C@@H](C(=O)NC1CC1)c1ccccc1)CCCC2 ZINC000078283110 571141080 /nfs/dbraw/zinc/14/10/80/571141080.db2.gz ILLLHEINQYOOEW-LJQANCHMSA-N 0 0 363.486 3.944 50 30 FHEARN COc1cc(C2=N/C(=C\c3cccc(C#N)c3)C(=O)O2)ccc1OC(F)F ZINC000012915474 571144830 /nfs/dbraw/zinc/14/48/30/571144830.db2.gz JBLOHDHKTNQGSK-ZSOIEALJSA-N 0 0 370.311 3.513 50 30 FHEARN O=C(CNc1cccc(C#Cc2cccs2)c1)NCCc1cccs1 ZINC000029934268 571151053 /nfs/dbraw/zinc/15/10/53/571151053.db2.gz LGNMDWORDBRRPP-UHFFFAOYSA-N 0 0 366.511 3.980 50 30 FHEARN COc1cc(C#N)ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000006181192 571152198 /nfs/dbraw/zinc/15/21/98/571152198.db2.gz LKYIOBHXCXQYPS-UHFFFAOYSA-N 0 0 350.296 3.603 50 30 FHEARN COc1ccc([C@@H]2C3=C(NC4=C2C(=O)CCC4)c2ccccc2C3=O)cc1 ZINC000004663900 571155929 /nfs/dbraw/zinc/15/59/29/571155929.db2.gz GJSZIRGDKVNMQC-IBGZPJMESA-N 0 0 357.409 3.997 50 30 FHEARN CS(=O)(=O)Nc1ccccc1C(=O)/C=C/c1c(F)cccc1Cl ZINC000075149057 571156880 /nfs/dbraw/zinc/15/68/80/571156880.db2.gz UPZQHAQAHKNOKE-MDZDMXLPSA-N 0 0 353.802 3.747 50 30 FHEARN C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)C1=C(CCCC1=O)N2 ZINC000005847702 571166740 /nfs/dbraw/zinc/16/67/40/571166740.db2.gz SLFUHXUTAAWJDA-HNNXBMFYSA-N 0 0 365.458 3.613 50 30 FHEARN C[C@H]1CCc2c(C#N)c(NC(=O)CN3CCc4ccccc4C3)sc2C1 ZINC000034858981 571168145 /nfs/dbraw/zinc/16/81/45/571168145.db2.gz RUHMPNYDJGCFLC-AWEZNQCLSA-N 0 0 365.502 3.741 50 30 FHEARN C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H](C)CC)cc1 ZINC000005901492 571168182 /nfs/dbraw/zinc/16/81/82/571168182.db2.gz HQGBEXGFWUNAHY-SJKOYZFVSA-N 0 0 373.478 3.899 50 30 FHEARN Cc1cc(C#N)cc(C)c1Oc1cc(N)nc(Nc2ccc(C#N)cc2)n1 ZINC000005930715 571168423 /nfs/dbraw/zinc/16/84/23/571168423.db2.gz QELKPCHCXREHAE-UHFFFAOYSA-N 0 0 356.389 3.955 50 30 FHEARN Cc1ccc(C)c(-n2ccnc2SCC(=O)NC2(C#N)CCCC2)c1 ZINC000012532425 571175166 /nfs/dbraw/zinc/17/51/66/571175166.db2.gz OSEFZFCIIZGORV-UHFFFAOYSA-N 0 0 354.479 3.534 50 30 FHEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(C#N)cc2)NC(=O)N1 ZINC000006378323 571182799 /nfs/dbraw/zinc/18/27/99/571182799.db2.gz YRBJVKUCTKBJQC-KRWDZBQOSA-N 0 0 351.793 3.722 50 30 FHEARN N#Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 ZINC000006494857 571204829 /nfs/dbraw/zinc/20/48/29/571204829.db2.gz WPBCUVLWORKPOF-UHFFFAOYSA-N 0 0 363.398 3.705 50 30 FHEARN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Br)c1O ZINC000005357189 571214188 /nfs/dbraw/zinc/21/41/88/571214188.db2.gz CCYPVLNXMHQBLV-LZYBPNLTSA-N 0 0 366.171 3.518 50 30 FHEARN O=C(CC1=C(c2ccccc2)CCC1=O)N[C@@H]1COC2(C1)CCCCC2 ZINC000426424397 571223889 /nfs/dbraw/zinc/22/38/89/571223889.db2.gz SIVSTZRQMQBELM-KRWDZBQOSA-N 0 0 353.462 3.801 50 30 FHEARN CCOc1ccc(C(=O)OCCOc2ccc(C#N)cc2)cc1OCC ZINC000011341716 571234130 /nfs/dbraw/zinc/23/41/30/571234130.db2.gz QSZXFRQEPQKUGZ-UHFFFAOYSA-N 0 0 355.390 3.591 50 30 FHEARN N#Cc1c(NC(=O)CN2CCc3ccccc32)sc2c1CCCCC2 ZINC000006623579 571237366 /nfs/dbraw/zinc/23/73/66/571237366.db2.gz BSOAYYYFIUFLNL-UHFFFAOYSA-N 0 0 351.475 3.890 50 30 FHEARN C=C(C)CN(CC)C(=O)[C@@]12CCC(=O)N1c1cc(Cl)ccc1S2 ZINC000064783665 571242847 /nfs/dbraw/zinc/24/28/47/571242847.db2.gz CAAASTOYIRSDFZ-KRWDZBQOSA-N 0 0 350.871 3.693 50 30 FHEARN CCCN1c2ccccc2/C(=N/NC(=S)Nc2ccc(CC)cc2)C1=O ZINC000006708943 571243069 /nfs/dbraw/zinc/24/30/69/571243069.db2.gz JQKQCEUQEWUTEJ-PYCFMQQDSA-N 0 0 366.490 3.696 50 30 FHEARN CC/N=C1/S/C(=C\c2cccn2-c2ccc(OC)cc2)C(=O)N1CC ZINC000036129957 571243183 /nfs/dbraw/zinc/24/31/83/571243183.db2.gz CTTXVUORKGUYPK-CAUPHXMNSA-N 0 0 355.463 3.798 50 30 FHEARN Cc1ccc(C)c(-c2ccc(=O)n([C@@H](C)C(=O)Nc3cccc(C#N)c3)n2)c1 ZINC000006767367 571245424 /nfs/dbraw/zinc/24/54/24/571245424.db2.gz VUTJCUHYIRUOAD-INIZCTEOSA-N 0 0 372.428 3.599 50 30 FHEARN COc1ccc(/N=C2/c3ccccc3N(CN3CCC[C@H](C)C3)C2=O)cc1 ZINC000036274440 571246360 /nfs/dbraw/zinc/24/63/60/571246360.db2.gz JACZQYQYJWAVTG-FRKCRFBYSA-N 0 0 363.461 3.852 50 30 FHEARN N#C[C@H](Cc1ccccc1)Sc1nnc([C@H]2COc3ccccc3O2)o1 ZINC000006845537 571250426 /nfs/dbraw/zinc/25/04/26/571250426.db2.gz UBDDFUAHOHBTAY-WMLDXEAASA-N 0 0 365.414 3.809 50 30 FHEARN COc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccc(C#N)cc3)n2)cc1 ZINC000169754614 571251745 /nfs/dbraw/zinc/25/17/45/571251745.db2.gz YHWZVVSGSVOHLQ-SFHVURJKSA-N 0 0 374.400 3.594 50 30 FHEARN CN1c2cc(C(=O)Nc3cccc(C#N)c3)ccc2C(=O)N2CCCCC[C@H]12 ZINC000169766090 571252482 /nfs/dbraw/zinc/25/24/82/571252482.db2.gz LCMYGPDNUNYQGC-HXUWFJFHSA-N 0 0 374.444 3.603 50 30 FHEARN COc1cc(/C=C2\S/C(=N/c3cccc(C)c3C)NC2=O)ccc1O ZINC000006924444 571254757 /nfs/dbraw/zinc/25/47/57/571254757.db2.gz FCGRCVJLSPMNNM-YVLHZVERSA-N 0 0 354.431 3.909 50 30 FHEARN COc1cc(C#N)ccc1OCC(=O)N[C@H](C)c1cc2ccccc2o1 ZINC000007017368 571257386 /nfs/dbraw/zinc/25/73/86/571257386.db2.gz DZNYSRJUJSZSSA-CYBMUJFWSA-N 0 0 350.374 3.569 50 30 FHEARN CC(C)[C@@](C)(C#N)NC(=O)CNc1ccccc1SCC(F)(F)F ZINC000036702486 571261408 /nfs/dbraw/zinc/26/14/08/571261408.db2.gz RWLNZHOUNXCJPC-OAHLLOKOSA-N 0 0 359.417 3.807 50 30 FHEARN C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000037197406 571265944 /nfs/dbraw/zinc/26/59/44/571265944.db2.gz WHDCPPVKWQVRHF-PWSUYJOCSA-N 0 0 359.779 3.813 50 30 FHEARN N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1Cl ZINC000252517385 571282094 /nfs/dbraw/zinc/28/20/94/571282094.db2.gz HKAQTRGGWQWXFU-BFYDXBDKSA-N 0 0 355.781 3.599 50 30 FHEARN CN(C)c1ccc(C=[NH+][N-]c2cncc([C@@H](C#N)c3ccccc3)n2)cc1 ZINC000252600767 571284562 /nfs/dbraw/zinc/28/45/62/571284562.db2.gz DUQKHLJZEIEDSL-IBGZPJMESA-N 0 0 356.433 3.644 50 30 FHEARN N#Cc1ccccc1CSCCNC(=O)Cc1c(F)cccc1Cl ZINC000007649011 571285304 /nfs/dbraw/zinc/28/53/04/571285304.db2.gz FAZWZGLSMWHQIO-UHFFFAOYSA-N 0 0 362.857 3.943 50 30 FHEARN COc1ccc(C(C)=NN2CCN(Cc3ccccc3Cl)CC2)cc1 ZINC000252611576 571285758 /nfs/dbraw/zinc/28/57/58/571285758.db2.gz ILIKQSRJWVVDMW-UHFFFAOYSA-N 0 0 357.885 3.890 50 30 FHEARN C[C@H](c1nc2ccccc2s1)N(C)S(=O)(=O)c1cccc(C#N)c1 ZINC000007689345 571285794 /nfs/dbraw/zinc/28/57/94/571285794.db2.gz RFAFYBWRIBQTDH-GFCCVEGCSA-N 0 0 357.460 3.550 50 30 FHEARN N#Cc1cccc(S(=O)(=O)N[C@H](c2cccs2)c2ccccc2)c1 ZINC000007702240 571286031 /nfs/dbraw/zinc/28/60/31/571286031.db2.gz VREHFZBGERDPOM-SFHVURJKSA-N 0 0 354.456 3.688 50 30 FHEARN CC(=NOC(=O)CCC(=O)ON=C(C)c1cccs1)c1cccs1 ZINC000252625156 571288834 /nfs/dbraw/zinc/28/88/34/571288834.db2.gz QEKLOJCALJWSAO-UHFFFAOYSA-N 0 0 364.448 3.824 50 30 FHEARN CCc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)s1 ZINC000252631761 571289880 /nfs/dbraw/zinc/28/98/80/571289880.db2.gz VMFJFMWTYMQKSL-UHFFFAOYSA-N 0 0 350.356 3.582 50 30 FHEARN N#Cc1ccccc1COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000007897831 571292227 /nfs/dbraw/zinc/29/22/27/571292227.db2.gz QIBUQLNAEQGFTI-UHFFFAOYSA-N 0 0 367.360 3.691 50 30 FHEARN C=CCn1c2sc3c(c2c(=O)n(-c2cccc(Cl)c2)c1=O)CCCC3 ZINC000002236502 571293240 /nfs/dbraw/zinc/29/32/40/571293240.db2.gz GPMUBTYWMMKIBT-UHFFFAOYSA-N 0 0 372.877 3.932 50 30 FHEARN COc1ccc(OC)c(/C=C2\S/C(=N/c3cccc(C)c3)NC2=O)c1 ZINC000002265896 571294003 /nfs/dbraw/zinc/29/40/03/571294003.db2.gz CZSQEMRDXQRHDH-BOPFTXTBSA-N 0 0 354.431 3.904 50 30 FHEARN COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCC3)cc1 ZINC000002272969 571294076 /nfs/dbraw/zinc/29/40/76/571294076.db2.gz NERQYVHPVJYICX-UHFFFAOYSA-N 0 0 371.487 3.634 50 30 FHEARN COCCC(=O)[C@@]12O[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000048547071 571308885 /nfs/dbraw/zinc/30/88/85/571308885.db2.gz DLURJPMDGSFIIF-MBWFKEDYSA-N 0 0 374.521 3.663 50 30 FHEARN CCCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N(CC)CC ZINC000002303077 571317390 /nfs/dbraw/zinc/31/73/90/571317390.db2.gz WJBOQQZSUGHHEO-MRXNPFEDSA-N 0 0 367.497 3.780 50 30 FHEARN COCc1cc(C)nc(SCC(=O)Nc2ccc(Cl)cc2)c1C#N ZINC000002333153 571318188 /nfs/dbraw/zinc/31/81/88/571318188.db2.gz BBJNNPKWRIYBNX-UHFFFAOYSA-N 0 0 361.854 3.792 50 30 FHEARN CCC(CC)c1nc(C#N)c(N2CCN(c3ccc(OC)cc3)CC2)o1 ZINC000006859280 571319657 /nfs/dbraw/zinc/31/96/57/571319657.db2.gz UYDFVQJEMQPZFC-UHFFFAOYSA-N 0 0 354.454 3.785 50 30 FHEARN C=C(C)Cn1c(SC)nc2sc3c(c2c1=O)C[C@](C)(CC)OC3 ZINC000002371979 571319997 /nfs/dbraw/zinc/31/99/97/571319997.db2.gz SNZAHIWUMIKSAP-KRWDZBQOSA-N 0 0 350.509 3.997 50 30 FHEARN O=C(Cc1ccc(NC(=O)c2cc3ccccc3o2)cc1)Nc1nc[nH]n1 ZINC000055221230 571321307 /nfs/dbraw/zinc/32/13/07/571321307.db2.gz IDYCIMVUAHSTRW-UHFFFAOYSA-N 0 0 361.361 3.634 50 30 FHEARN Cc1nn(-c2ccccc2C)c(C)c1CN(C)C(=O)c1cc(O)cc(C#N)c1 ZINC000225413966 571321388 /nfs/dbraw/zinc/32/13/88/571321388.db2.gz ZFASODBDSNNEMK-UHFFFAOYSA-N 0 0 374.444 3.647 50 30 FHEARN CCCNc1ccc(C#N)cc1NC(=O)c1cnn(-c2ccccc2F)c1 ZINC000225448757 571321677 /nfs/dbraw/zinc/32/16/77/571321677.db2.gz OTFUFOACIKIGFA-UHFFFAOYSA-N 0 0 363.396 3.957 50 30 FHEARN COc1ccc(-c2nc(C#N)c(NCc3ccc(F)cc3)o2)cc1OC ZINC000002424584 571321918 /nfs/dbraw/zinc/32/19/18/571321918.db2.gz SPHBJUZJORINDQ-UHFFFAOYSA-N 0 0 353.353 3.982 50 30 FHEARN COc1ccc([C@H]2C[C@@H]2/C(C)=N/OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000012350644 571322338 /nfs/dbraw/zinc/32/23/38/571322338.db2.gz ALJDGBQIAAKFDF-LNSJNNGNSA-N 0 0 354.362 3.940 50 30 FHEARN COc1ccc(/C=C2\Oc3cc(OC(=O)C(C)C)ccc3C2=O)cc1OC ZINC000012662835 571322600 /nfs/dbraw/zinc/32/26/00/571322600.db2.gz MUCANVKTNMRAAI-GRSHGNNSSA-N 0 0 368.385 3.881 50 30 FHEARN N#CC1(C(=O)Nc2nc3ccc(OCC(F)(F)F)cc3s2)CCC1 ZINC000078818934 571326355 /nfs/dbraw/zinc/32/63/55/571326355.db2.gz YVFUJOTYCVTILA-UHFFFAOYSA-N 0 0 355.341 3.870 50 30 FHEARN C=CCOC(=O)C1=C(C)N=C2S[C@H](CC)C(=O)N2[C@H]1c1ccc(C)cc1 ZINC000002463562 571327755 /nfs/dbraw/zinc/32/77/55/571327755.db2.gz ZJRDFCZNGYQAJZ-WBVHZDCISA-N 0 0 370.474 3.763 50 30 FHEARN CN(C)c1cc(C(=O)OC[C@@H](C#N)Cc2cccs2)c2ccccc2n1 ZINC000095942901 571332408 /nfs/dbraw/zinc/33/24/08/571332408.db2.gz MMPLEDQIJMLBDW-CQSZACIVSA-N 0 0 365.458 3.902 50 30 FHEARN Cc1nnc(SCC(=O)Nc2ccccc2S[C@H](C)CC#N)s1 ZINC000095953367 571332769 /nfs/dbraw/zinc/33/27/69/571332769.db2.gz BESUEBYJAKQTNB-SNVBAGLBSA-N 0 0 364.521 3.972 50 30 FHEARN N#CCCSc1ccccc1NC(=O)C[C@@H]1OC(=O)c2ccccc21 ZINC000095953408 571332801 /nfs/dbraw/zinc/33/28/01/571332801.db2.gz KXRXASAWESBAGK-INIZCTEOSA-N 0 0 352.415 3.933 50 30 FHEARN C#CCOc1ccc(N(C)C(=O)Cc2nc(-c3ccccc3)oc2C)cc1 ZINC000095953587 571332808 /nfs/dbraw/zinc/33/28/08/571332808.db2.gz LAUMEZMSAXGQJJ-UHFFFAOYSA-N 0 0 360.413 3.868 50 30 FHEARN Cn1cc(CCC(=O)OCC#Cc2ccc(Oc3ccccc3)cc2)cn1 ZINC000095979716 571333429 /nfs/dbraw/zinc/33/34/29/571333429.db2.gz GHVHLRFSWRGONP-UHFFFAOYSA-N 0 0 360.413 3.740 50 30 FHEARN CCNc1nnc(SCC(=O)C=C2N(C)c3ccccc3C2(C)C)s1 ZINC000096401362 571335746 /nfs/dbraw/zinc/33/57/46/571335746.db2.gz HIZYTWIBKMZPIX-GDNBJRDFSA-N 0 0 374.535 3.943 50 30 FHEARN CC(C)Cc1nc(C#N)c(NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)o1 ZINC000027992013 571337370 /nfs/dbraw/zinc/33/73/70/571337370.db2.gz JHTZCLGFZZURGX-SFHVURJKSA-N 0 0 355.486 3.526 50 30 FHEARN C=CCOC(=O)COc1ccc2cc(-c3ccc(OC)cc3)c(=O)oc2c1 ZINC000002586400 571339183 /nfs/dbraw/zinc/33/91/83/571339183.db2.gz LEFQHVQEOWTUHA-UHFFFAOYSA-N 0 0 366.369 3.577 50 30 FHEARN C=CCN(Cc1cccs1)C(=O)Nc1snc(C)c1C(=O)OC ZINC000056320654 571340410 /nfs/dbraw/zinc/34/04/10/571340410.db2.gz SHXJHJWIHBEFOZ-UHFFFAOYSA-N 0 0 351.453 3.520 50 30 FHEARN Cc1c(C#N)c(NC(=O)c2csc3c2CCCC3)sc1C(=O)N(C)C ZINC000002772181 571340889 /nfs/dbraw/zinc/34/08/89/571340889.db2.gz HJRUWWVZTVJQCW-UHFFFAOYSA-N 0 0 373.503 3.823 50 30 FHEARN N#Cc1ccsc1NC(=O)Cn1c2ccccc2nc1C(F)(F)F ZINC000029299814 571342285 /nfs/dbraw/zinc/34/22/85/571342285.db2.gz QIAPRTHVENLCPK-UHFFFAOYSA-N 0 0 350.325 3.627 50 30 FHEARN N#Cc1ncc(C(F)(F)F)cc1S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000003047567 571344118 /nfs/dbraw/zinc/34/41/18/571344118.db2.gz UJLFEDUWKRMWII-UHFFFAOYSA-N 0 0 360.744 3.599 50 30 FHEARN N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)cc1 ZINC000003254899 571346181 /nfs/dbraw/zinc/34/61/81/571346181.db2.gz QPYBDWZJTTWUKS-UHFFFAOYSA-N 0 0 362.357 3.668 50 30 FHEARN N#Cc1ccc(F)c(CN2CCCC[C@@H]2CNC(=O)Nc2ccccc2)c1 ZINC000030590403 571346749 /nfs/dbraw/zinc/34/67/49/571346749.db2.gz HOWXJMDCBXLHCK-LJQANCHMSA-N 0 0 366.440 3.874 50 30 FHEARN N#Cc1ccc(NC(=O)COC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 ZINC000003310141 571346925 /nfs/dbraw/zinc/34/69/25/571346925.db2.gz LWMQFUNGNHNTBP-UHFFFAOYSA-N 0 0 363.200 3.589 50 30 FHEARN N#Cc1ccc(/C=C/C(=O)NCc2ccc(N3CCCCCC3)nc2)cc1 ZINC000058413899 571351226 /nfs/dbraw/zinc/35/12/26/571351226.db2.gz MVMUSRGPXDEUSC-ZRDIBKRKSA-N 0 0 360.461 3.663 50 30 FHEARN COc1ccc2[nH]c3c(ncn(/N=C/[C@H]4[C@H](C)C=C(C)C[C@@H]4C)c3=O)c2c1 ZINC000004028806 571354237 /nfs/dbraw/zinc/35/42/37/571354237.db2.gz QTBQTTBAAXXJAQ-YTWSMPAISA-N 0 0 364.449 3.959 50 30 biogenic FHEARN COc1ccc(/N=C2/NC(=O)/C(=C/c3cc(OC)ccc3OC)S2)cc1 ZINC000032232982 571356764 /nfs/dbraw/zinc/35/67/64/571356764.db2.gz WEKCYBWKFKVNEX-BOPFTXTBSA-N 0 0 370.430 3.604 50 30 FHEARN O=C(/C=C/c1cccs1)c1cc(F)ccc1OC(=O)N1CCOCC1 ZINC000004279018 571357562 /nfs/dbraw/zinc/35/75/62/571357562.db2.gz MZTQKPJBNHGVFA-SNAWJCMRSA-N 0 0 361.394 3.614 50 30 FHEARN COc1ccc(CCNc2oc(Cc3ccccc3)nc2C#N)cc1OC ZINC000004301922 571357744 /nfs/dbraw/zinc/35/77/44/571357744.db2.gz NWASJEPIQSWRSS-UHFFFAOYSA-N 0 0 363.417 3.809 50 30 FHEARN N#Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)c1 ZINC000007982285 571358027 /nfs/dbraw/zinc/35/80/27/571358027.db2.gz RKRZSIIRBZOPLC-MRXNPFEDSA-N 0 0 367.836 3.703 50 30 FHEARN CN(CC(=O)Nc1sccc1C#N)Cc1ccc(Br)s1 ZINC000008165467 571359675 /nfs/dbraw/zinc/35/96/75/571359675.db2.gz UYMPDMKRLRCSML-UHFFFAOYSA-N 0 0 370.297 3.514 50 30 FHEARN C[C@H]1CCCC[C@H]1OCC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 ZINC000331975881 945068868 /nfs/dbraw/zinc/06/88/68/945068868.db2.gz MLEKGWKSKPMGMJ-OXJNMPFZSA-N 0 0 356.466 3.523 50 30 FHEARN NC(=NOCc1cc(Cl)c2c(c1)OCCCO2)c1ccc(F)c(F)c1 ZINC000065205286 934651800 /nfs/dbraw/zinc/65/18/00/934651800.db2.gz QZZHPNAVSVTIKP-UHFFFAOYSA-N 0 0 368.767 3.617 50 30 FHEARN C=CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2)c2ccccc21 ZINC000003082010 938805778 /nfs/dbraw/zinc/80/57/78/938805778.db2.gz CZYWJBOBGTWTKP-UHFFFAOYSA-N 0 0 366.442 3.556 50 30 FHEARN N#Cc1cc2c(nc1SCC(=O)Nc1ccc(F)cc1)N1CCC2CC1 ZINC000020638529 941896964 /nfs/dbraw/zinc/89/69/64/941896964.db2.gz XIZBTYZYMDDUOO-UHFFFAOYSA-N 0 0 368.437 3.521 50 30 FHEARN CC[C@@H]1CCC[C@H](NC(=O)NCc2ccnc(OC3CCOCC3)c2)C1 ZINC000329584345 944069264 /nfs/dbraw/zinc/06/92/64/944069264.db2.gz QULAEMIZDSUTCG-WBVHZDCISA-N 0 0 361.486 3.612 50 30 FHEARN Cc1nn(C)c(C)c1[C@H](NC(=O)c1cc(C(C)(C)C)on1)C(F)(F)F ZINC000331198688 944396569 /nfs/dbraw/zinc/39/65/69/944396569.db2.gz TXOYAFGZMBQDKD-ZDUSSCGKSA-N 0 0 358.364 3.931 50 30 FHEARN C[C@@H]1C[C@@H](c2ccccc2F)N(S(=O)(=O)CC2(C#N)CCCC2)C1 ZINC000331623543 944464771 /nfs/dbraw/zinc/46/47/71/944464771.db2.gz YCYWCJQSDJNDAH-PBHICJAKSA-N 0 0 350.459 3.622 50 30 FHEARN C=C(C)CN1CCN(c2nc3ccccc3c(NCc3ccco3)n2)CC1 ZINC000004865648 947380566 /nfs/dbraw/zinc/38/05/66/947380566.db2.gz RLBXKGMQHYUJSJ-UHFFFAOYSA-N 0 0 363.465 3.533 50 30 FHEARN CCOC(=O)c1ccccc1NC=CC(=O)c1ccc(OC)c(OC)c1 ZINC000000662319 219309946 /nfs/dbraw/zinc/30/99/46/219309946.db2.gz WPRGSJPMZXBWID-VAWYXSNFSA-N 0 0 355.390 3.689 50 30 FHEARN N#Cc1c(NC(=O)c2cc3ccccc3c(=O)o2)sc2c1CCCC2 ZINC000000669020 219311744 /nfs/dbraw/zinc/31/17/44/219311744.db2.gz JJXJPDWSXSXAFJ-UHFFFAOYSA-N 0 0 350.399 3.857 50 30 FHEARN Cc1ccc(-n2c(N)c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c2=O)cc1 ZINC000000704337 219314233 /nfs/dbraw/zinc/31/42/33/219314233.db2.gz HDZAUIAXCGFVOT-UHFFFAOYSA-N 0 0 360.804 3.792 50 30 FHEARN Cc1ccc(-c2c(C#N)c(N)n(-c3ccc(Cl)cc3)c(=O)c2C#N)cc1 ZINC000000704339 219314572 /nfs/dbraw/zinc/31/45/72/219314572.db2.gz FSSSNHYWTOOXIH-UHFFFAOYSA-N 0 0 360.804 3.792 50 30 FHEARN C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccncc1 ZINC000000723821 219317073 /nfs/dbraw/zinc/31/70/73/219317073.db2.gz YACRSENJMCLGIQ-UHFFFAOYSA-N 0 0 354.410 3.640 50 30 FHEARN N#Cc1ccccc1NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000000752394 219317848 /nfs/dbraw/zinc/31/78/48/219317848.db2.gz HVVYWEUIRVGLQK-UHFFFAOYSA-N 0 0 367.364 3.611 50 30 FHEARN CC1(C)Cc2c(C#N)c(NC(=S)NC(=O)c3ccccc3)sc2CO1 ZINC000000752974 219318217 /nfs/dbraw/zinc/31/82/17/219318217.db2.gz NGBDDKGHTCIPAP-UHFFFAOYSA-N 0 0 371.487 3.598 50 30 FHEARN N#Cc1nc(COc2ccccc2F)oc1NCc1ccc2c(c1)OCO2 ZINC000000794764 219321483 /nfs/dbraw/zinc/32/14/83/219321483.db2.gz DENIOIJSSSMVIK-UHFFFAOYSA-N 0 0 367.336 3.605 50 30 FHEARN Cc1cc(C)nc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 ZINC000000828681 219328255 /nfs/dbraw/zinc/32/82/55/219328255.db2.gz LVLYQLNWJXREHW-UHFFFAOYSA-N 0 0 358.492 3.636 50 30 FHEARN CCN(CC)C(=O)c1sc(NC(=O)c2cccc(F)c2)c(C#N)c1C ZINC000000871972 219333898 /nfs/dbraw/zinc/33/38/98/219333898.db2.gz MOQYSTSLKXNWSG-UHFFFAOYSA-N 0 0 359.426 3.802 50 30 FHEARN CC(C)CNc1oc(COc2ccc(Br)cc2)nc1C#N ZINC000000934580 219342664 /nfs/dbraw/zinc/34/26/64/219342664.db2.gz VTCFVWSUQXCCBK-UHFFFAOYSA-N 0 0 350.216 3.956 50 30 FHEARN CC(=O)O[C@@H](C(=O)Nc1sc2c(c1C#N)CCCC2)c1ccccc1 ZINC000000947891 219345338 /nfs/dbraw/zinc/34/53/38/219345338.db2.gz JQANAUKZZDFDDI-QGZVFWFLSA-N 0 0 354.431 3.741 50 30 FHEARN CCOC(=O)CSc1nc2c(cc1C#N)C[C@@H](c1ccccc1)CC2 ZINC000001009925 219352626 /nfs/dbraw/zinc/35/26/26/219352626.db2.gz VIPVLYQQAYNTDE-HNNXBMFYSA-N 0 0 352.459 3.881 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(Nc2ccccc2C#N)C[C@@H]1c1ccccc1 ZINC000001080025 219366178 /nfs/dbraw/zinc/36/61/78/219366178.db2.gz OLWLAXYIZFLXQE-WIYYLYMNSA-N 0 0 360.413 3.790 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(Nc2ccccc2C#N)C[C@H]1c1ccccc1 ZINC000001080026 219366433 /nfs/dbraw/zinc/36/64/33/219366433.db2.gz OLWLAXYIZFLXQE-RXVVDRJESA-N 0 0 360.413 3.790 50 30 FHEARN COc1cc(/C=N/n2cnnc2)cc(Cl)c1OCc1ccccc1F ZINC000001093742 219368679 /nfs/dbraw/zinc/36/86/79/219368679.db2.gz WQGLGAMTAYYFDK-GZIVZEMBSA-N 0 0 360.776 3.540 50 30 FHEARN CCOc1cc(C#N)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OCC ZINC000001075565 219365103 /nfs/dbraw/zinc/36/51/03/219365103.db2.gz IDCKPNYLJNNUMA-UHFFFAOYSA-N 0 0 369.377 3.825 50 30 FHEARN COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1[N+](=O)[O-] ZINC000001111592 219371764 /nfs/dbraw/zinc/37/17/64/219371764.db2.gz NMNDTKBWKJIPJS-SNVBAGLBSA-N 0 0 371.418 3.914 50 30 FHEARN C=CCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)SC1=S ZINC000001188903 219387537 /nfs/dbraw/zinc/38/75/37/219387537.db2.gz UEKSDIVTIDTJCB-XYOKQWHBSA-N 0 0 370.293 3.845 50 30 FHEARN COc1cc(Cl)cc(/C=N/n2c(SC)nnc2-c2ccccc2)c1O ZINC000001211014 219389701 /nfs/dbraw/zinc/38/97/01/219389701.db2.gz DFHGLLPNLLHTEX-VXLYETTFSA-N 0 0 374.853 3.917 50 30 FHEARN CCCn1c(=O)cc(C(F)(F)F)nc1SCc1cccc(C#N)c1 ZINC000001383398 219402550 /nfs/dbraw/zinc/40/25/50/219402550.db2.gz AIASOJCAFHTTEM-UHFFFAOYSA-N 0 0 353.369 3.836 50 30 FHEARN C=CC[C@H]1N(C(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)CCCC1(C)C ZINC000225512178 222846817 /nfs/dbraw/zinc/84/68/17/222846817.db2.gz KDICHCQSNUMJJM-WOJBJXKFSA-N 0 0 372.509 3.856 50 30 FHEARN CCOC(=O)c1ccc(NC=CC(=O)c2ccc(OC)cc2OC)cc1 ZINC000002270166 219434999 /nfs/dbraw/zinc/43/49/99/219434999.db2.gz IFGPAUYOBPWPHN-VAWYXSNFSA-N 0 0 355.390 3.689 50 30 FHEARN C[C@@H]1CCc2sc(N3C(=O)[C@@H]4CC=C(Cl)C[C@H]4C3=O)c(C#N)c2C1 ZINC000239425670 222916369 /nfs/dbraw/zinc/91/63/69/222916369.db2.gz UZFRZCVRHABEJM-IRUJWGPZSA-N 0 0 360.866 3.767 50 30 FHEARN CC(=O)Nc1ccc(-c2nnc(SCc3ccccc3C#N)n2C)cc1 ZINC000002835619 219469061 /nfs/dbraw/zinc/46/90/61/219469061.db2.gz LRSBTWXDZILMIR-UHFFFAOYSA-N 0 0 363.446 3.604 50 30 FHEARN Cc1cc(Br)cc(C)c1OCC(=O)Nc1cccc(C#N)c1 ZINC000002861205 219470913 /nfs/dbraw/zinc/47/09/13/219470913.db2.gz GZVBRRJWRBMJPQ-UHFFFAOYSA-N 0 0 359.223 3.955 50 30 FHEARN N#Cc1cccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2Cl)c1 ZINC000003274561 219496497 /nfs/dbraw/zinc/49/64/97/219496497.db2.gz VCEOKYITYMLNJO-UHFFFAOYSA-N 0 0 363.200 3.589 50 30 FHEARN N#Cc1ccc(-c2ccc(OCC(=O)NCCc3ccccc3)cc2)cc1 ZINC000003417984 219508517 /nfs/dbraw/zinc/50/85/17/219508517.db2.gz HIEJCSXDOIJZJV-UHFFFAOYSA-N 0 0 356.425 3.963 50 30 FHEARN N#C[C@@H]1C2=C(CCCC2)S[C@H]1NC(=O)c1cc2ccccc2oc1=O ZINC000004079222 219540103 /nfs/dbraw/zinc/54/01/03/219540103.db2.gz NHNDVSRWNTYPBW-RDTXWAMCSA-N 0 0 352.415 3.564 50 30 FHEARN C=CCc1cc(OC)c(O[C@@H](C)[C@H](O)c2ccc(O)c(OC)c2)c(OC)c1 ZINC000013311346 291074806 /nfs/dbraw/zinc/07/48/06/291074806.db2.gz ULZFTGWWPHYLGI-RBZFPXEDSA-N 0 0 374.433 3.647 50 30 endogenous,in-man FHEARN Cc1ccc(/C=N/Nc2nn3c(=O)c4ccccc4nc3c3ccccc23)o1 ZINC000004183614 219553601 /nfs/dbraw/zinc/55/36/01/219553601.db2.gz ZLKLQCGUSPQRKF-WSDLNYQXSA-N 0 0 369.384 3.743 50 30 FHEARN CCSc1nc2n(n1)[C@@H](c1ccc(O)cc1)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436330 219575409 /nfs/dbraw/zinc/57/54/09/219575409.db2.gz GXBRLQCUNHTWGH-INIZCTEOSA-N 0 0 370.478 3.754 50 30 FHEARN CCOc1c(OC(C)=O)ccc(C=NNc2ccc(C)cc2)c1[N+](=O)[O-] ZINC000004647042 219591470 /nfs/dbraw/zinc/59/14/70/219591470.db2.gz LVUSRMXOQCLPGV-YBFXNURJSA-N 0 0 357.366 3.673 50 30 FHEARN COc1cccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1OC ZINC000005169359 219656755 /nfs/dbraw/zinc/65/67/55/219656755.db2.gz SGLQAEMYKWEDFP-UHFFFAOYSA-N 0 0 365.414 3.951 50 30 FHEARN Cc1csc2nc(CSc3nc(C)c(C)c(C)c3C#N)cc(=O)n12 ZINC000005172550 219658317 /nfs/dbraw/zinc/65/83/17/219658317.db2.gz DOSMLFFARNVUBS-UHFFFAOYSA-N 0 0 356.476 3.549 50 30 FHEARN O=C1C[C@H](c2ccco2)CC2=Nc3ncnn3[C@H](c3cccc(Cl)c3)C12 ZINC000005425198 219677180 /nfs/dbraw/zinc/67/71/80/219677180.db2.gz UOFOKSALTPLFTD-KZULUSFZSA-N 0 0 366.808 3.940 50 30 FHEARN Cc1sc2nc(C)nc(SCC(=O)N[C@@](C)(C#N)C(C)C)c2c1C ZINC000005428858 219677990 /nfs/dbraw/zinc/67/79/90/219677990.db2.gz HPXANLDSCSDVQP-KRWDZBQOSA-N 0 0 362.524 3.763 50 30 FHEARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(C#N)cc1 ZINC000006331122 219725191 /nfs/dbraw/zinc/72/51/91/219725191.db2.gz XZAFDAMKHWSZTR-UHFFFAOYSA-N 0 0 362.216 3.576 50 30 FHEARN CCCN1C(=O)/C(=N\NC(=S)Nc2cccc(Cl)c2)c2ccccc21 ZINC000006757603 219767443 /nfs/dbraw/zinc/76/74/43/219767443.db2.gz POZLHLGFSDNUJV-PGMHBOJBSA-N 0 0 372.881 3.787 50 30 FHEARN COc1ccc(-c2[nH]c3c(C#N)cnn3c2NC2CCCCC2)c(OC)c1 ZINC000006768473 219768264 /nfs/dbraw/zinc/76/82/64/219768264.db2.gz BGGFVECDEWOBTD-UHFFFAOYSA-N 0 0 365.437 3.963 50 30 FHEARN Cc1cccc([C@H]2C3C(=O)CCCC3=Nc3nc(-c4ccc(O)cc4)nn32)c1 ZINC000006732495 219763240 /nfs/dbraw/zinc/76/32/40/219763240.db2.gz ZFQNJYGRGSAUOT-FQEVSTJZSA-N 0 0 372.428 3.981 50 30 FHEARN COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(C)cc1 ZINC000006813226 219773985 /nfs/dbraw/zinc/77/39/85/219773985.db2.gz NZJBEITWUKRMOI-KRWDZBQOSA-N 0 0 371.458 3.671 50 30 FHEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(F)cc2)cc1 ZINC000006819606 219774181 /nfs/dbraw/zinc/77/41/81/219774181.db2.gz AJVWSJMDLJFZDW-YJBOKZPZSA-N 0 0 365.404 3.839 50 30 FHEARN COc1cc(C#N)ccc1OCc1cc2c(cc1Br)OCO2 ZINC000006880541 219778671 /nfs/dbraw/zinc/77/86/71/219778671.db2.gz SEHYULYAGFSECE-UHFFFAOYSA-N 0 0 362.179 3.637 50 30 FHEARN C[C@H](Sc1nccn1C)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000007061622 219790881 /nfs/dbraw/zinc/79/08/81/219790881.db2.gz RBVNPACINIKKMY-NSHDSACASA-N 0 0 360.508 3.741 50 30 FHEARN C=CCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1c1cccs1 ZINC000007680085 219815281 /nfs/dbraw/zinc/81/52/81/219815281.db2.gz NSLYHPHYHRPBKQ-SFHVURJKSA-N 0 0 374.531 3.773 50 30 FHEARN COc1ccc(-c2nc(C(=O)Nc3cccc(C#N)c3)cs2)cc1OC ZINC000007461802 219806184 /nfs/dbraw/zinc/80/61/84/219806184.db2.gz PNDDWAVINLRVEU-UHFFFAOYSA-N 0 0 365.414 3.951 50 30 FHEARN Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(C#N)c(Cl)c2)CC1=O ZINC000008217039 219853167 /nfs/dbraw/zinc/85/31/67/219853167.db2.gz BUZRWFJECVDONJ-CQSZACIVSA-N 0 0 353.809 3.512 50 30 FHEARN CC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000008464889 219862358 /nfs/dbraw/zinc/86/23/58/219862358.db2.gz DYASVYHYVIOPKN-SFHVURJKSA-N 0 0 360.369 3.752 50 30 FHEARN O=C1N/C(=N\N=C\c2ccco2)S[C@@H]1Cc1cc(Cl)ccc1Cl ZINC000009332127 219878129 /nfs/dbraw/zinc/87/81/29/219878129.db2.gz WZHOLXVPAMJGMH-NACCWKTGSA-N 0 0 368.245 3.751 50 30 FHEARN Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccccc3)S2)c(C)c1 ZINC000012469606 220000098 /nfs/dbraw/zinc/00/00/98/220000098.db2.gz IYXHRNXMLSJXPG-UNEBPCJRSA-N 0 0 367.474 3.894 50 30 FHEARN Cc1ccccc1-n1cnnc1S[C@@H](C)C(=O)Nc1sccc1C#N ZINC000012533661 220003865 /nfs/dbraw/zinc/00/38/65/220003865.db2.gz QHSSNCABTLEOTJ-LBPRGKRZSA-N 0 0 369.475 3.628 50 30 FHEARN CC#CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(-c3cccc(F)c3)cc2)C1 ZINC000012714334 220021049 /nfs/dbraw/zinc/02/10/49/220021049.db2.gz ZHNWBJIMEHHVRT-GOSISDBHSA-N 0 0 364.420 3.693 50 30 FHEARN CCCOc1ccc(/C=C/C(=O)c2ccc(OCC(=O)N(C)C)cc2)cc1 ZINC000012792482 220030618 /nfs/dbraw/zinc/03/06/18/220030618.db2.gz KORKHTHDGNDGKI-VGOFMYFVSA-N 0 0 367.445 3.839 50 30 FHEARN CCC[C@@H](NC(=O)COc1ccc(C#N)cc1OCC)c1ccccc1 ZINC000012808995 220033107 /nfs/dbraw/zinc/03/31/07/220033107.db2.gz GCFZTKDWNXYMHA-GOSISDBHSA-N 0 0 352.434 3.993 50 30 FHEARN N#Cc1ccc(S(=O)(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc1 ZINC000012874069 220038149 /nfs/dbraw/zinc/03/81/49/220038149.db2.gz FMSBLDNERBOXDB-UHFFFAOYSA-N 0 0 364.829 3.704 50 30 FHEARN CCNc1nc(Sc2ccc(C#N)cc2[N+](=O)[O-])nc2ccccc21 ZINC000012870410 220038166 /nfs/dbraw/zinc/03/81/66/220038166.db2.gz RCPGLDVZWFRCFB-UHFFFAOYSA-N 0 0 351.391 3.993 50 30 FHEARN N#Cc1ccc(COC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c(F)c1 ZINC000012906709 220040776 /nfs/dbraw/zinc/04/07/76/220040776.db2.gz DBZPMFZVTCIYNQ-SFHVURJKSA-N 0 0 355.365 3.612 50 30 FHEARN Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1nc2c(cccc2C)s1 ZINC000013007259 220052430 /nfs/dbraw/zinc/05/24/30/220052430.db2.gz YVRJXQLOPJZLCM-UHFFFAOYSA-N 0 0 367.478 3.903 50 30 FHEARN COC(=O)[C@H](C#N)c1nc2ccccc2nc1N[C@H](C)c1cccs1 ZINC000013155167 220061429 /nfs/dbraw/zinc/06/14/29/220061429.db2.gz HTJLKTJOXUJGRF-VXGBXAGGSA-N 0 0 352.419 3.645 50 30 FHEARN O=C1C[C@@H](c2ccco2)CC2=Nc3ncnn3[C@H](c3ccccc3Cl)C12 ZINC000013535734 220072118 /nfs/dbraw/zinc/07/21/18/220072118.db2.gz TUGZBJLXSWEOBG-BBATYDOGSA-N 0 0 366.808 3.940 50 30 FHEARN N#Cc1c(OCC(=O)N2CCCC2)nc(-c2ccccc2)c2c1CCCC2 ZINC000013689587 220085425 /nfs/dbraw/zinc/08/54/25/220085425.db2.gz HPDUQNWUWKTVFQ-UHFFFAOYSA-N 0 0 361.445 3.500 50 30 FHEARN COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)CCC3)c(OC)c1OC ZINC000013721634 220089375 /nfs/dbraw/zinc/08/93/75/220089375.db2.gz FHCUSFPBOZPJIO-INIZCTEOSA-N 0 0 370.405 3.573 50 30 FHEARN COc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)CC(C)(C)C3)ccc1O ZINC000013730217 220090880 /nfs/dbraw/zinc/09/08/80/220090880.db2.gz VAEBJCXHBDOHKI-QGZVFWFLSA-N 0 0 354.406 3.898 50 30 FHEARN CC[C@H]1CCc2c(C#N)c(NC(=O)CSc3nccn3C)sc2C1 ZINC000014067123 220103960 /nfs/dbraw/zinc/10/39/60/220103960.db2.gz CIMFGAHZSSGTDU-NSHDSACASA-N 0 0 360.508 3.599 50 30 FHEARN C=CCn1c(SCc2cc(C)no2)nc2c3ccccc3oc2c1=O ZINC000014189662 220115091 /nfs/dbraw/zinc/11/50/91/220115091.db2.gz GQETZCJIYCBCKR-UHFFFAOYSA-N 0 0 353.403 3.917 50 30 FHEARN Cc1cccc(C(=O)Nc2cc(C#N)c3sc4ccccc4n3c2=O)c1 ZINC000014291596 220122032 /nfs/dbraw/zinc/12/20/32/220122032.db2.gz LRZGXBYKVQWOHB-UHFFFAOYSA-N 0 0 359.410 3.947 50 30 FHEARN O=C(C#Cc1ccccc1)N1CCC[C@@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000014971533 220137182 /nfs/dbraw/zinc/13/71/82/220137182.db2.gz JTMIARIHHMITKI-GOSISDBHSA-N 0 0 351.833 3.813 50 30 FHEARN Cc1cccc(C)c1NC(=O)CSc1nc2c(cc1C#N)C(=O)CCC2 ZINC000015834577 220166500 /nfs/dbraw/zinc/16/65/00/220166500.db2.gz DYEWMYIVDRFFAC-UHFFFAOYSA-N 0 0 365.458 3.820 50 30 FHEARN C[C@@H](OC(=O)c1ccoc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000016159108 220179968 /nfs/dbraw/zinc/17/99/68/220179968.db2.gz CNAIHFCEAWSIBT-LLVKDONJSA-N 0 0 358.419 3.666 50 30 FHEARN C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3cccc(OC)c3)c2C)C1=O ZINC000016225969 220180917 /nfs/dbraw/zinc/18/09/17/220180917.db2.gz JNHFLUWQGXNFEL-WQRHYEAKSA-N 0 0 366.442 3.772 50 30 FHEARN C[C@H]1CCCN(CN2c3ccccc3/C(=N/c3cccc(F)c3)C2=O)C1 ZINC000016609101 220188376 /nfs/dbraw/zinc/18/83/76/220188376.db2.gz PCKFIEFIOXESBV-DCBSDEPNSA-N 0 0 351.425 3.983 50 30 FHEARN C=CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(OC)cc1 ZINC000016741398 220191930 /nfs/dbraw/zinc/19/19/30/220191930.db2.gz TXOULCOFFOGVQL-INIZCTEOSA-N 0 0 355.415 3.521 50 30 FHEARN O=C1C[C@@H](c2cccc(Cl)c2)CC2=Nc3ncnn3[C@H](c3ccco3)C12 ZINC000016996469 220200701 /nfs/dbraw/zinc/20/07/01/220200701.db2.gz PQHRQKQFDLZTQA-KPZWWZAWSA-N 0 0 366.808 3.940 50 30 FHEARN Cc1occc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC000017276093 220211164 /nfs/dbraw/zinc/21/11/64/220211164.db2.gz GVULPVKJEMSCOZ-UHFFFAOYSA-N 0 0 358.419 3.586 50 30 FHEARN CC1(C)CC(=O)C2C(=Nc3nnnn3[C@H]2c2cccc(Cl)c2Cl)C1 ZINC000018196020 220227858 /nfs/dbraw/zinc/22/78/58/220227858.db2.gz GIDNAWDMDQZJMR-AWEZNQCLSA-N 0 0 364.236 3.638 50 30 FHEARN COc1cc2c(c(OC)c1)[C@H](c1cccc(O)c1)C1=C(CCCC1=O)N2 ZINC000018200462 220228218 /nfs/dbraw/zinc/22/82/18/220228218.db2.gz BDWROGODCAFASE-LJQANCHMSA-N 0 0 351.402 3.974 50 30 FHEARN CSc1nc(NC[C@@H]2CCCO2)c(C#N)c(-c2ccc(Cl)cc2)n1 ZINC000019820614 220298108 /nfs/dbraw/zinc/29/81/08/220298108.db2.gz SMPJXEWHZIIVCU-ZDUSSCGKSA-N 0 0 360.870 3.981 50 30 FHEARN O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3cccc(F)c3)C12 ZINC000020094980 220313655 /nfs/dbraw/zinc/31/36/55/220313655.db2.gz NIRRINNIYYSZPZ-SGTLLEGYSA-N 0 0 366.421 3.894 50 30 FHEARN C=CCn1c2ccccc2n(C[C@@H](O)c2cccc(Br)c2)c1=N ZINC000020057759 220309797 /nfs/dbraw/zinc/30/97/97/220309797.db2.gz LFGMNLBOVWHKLJ-QGZVFWFLSA-N 0 0 372.266 3.604 50 30 FHEARN C=CCn1c2nc(-c3ccco3)cc(C(F)(F)F)c2c(=O)[nH]c1=S ZINC000020604621 220334986 /nfs/dbraw/zinc/33/49/86/220334986.db2.gz GMJYNXMLEQQOLV-UHFFFAOYSA-N 0 0 353.325 3.919 50 30 FHEARN COc1ccc(CCNc2nc(C)c3c(c2C#N)CCCC3)cc1OC ZINC000020591486 220335312 /nfs/dbraw/zinc/33/53/12/220335312.db2.gz PGTCVNOELCFTPQ-UHFFFAOYSA-N 0 0 351.450 3.812 50 30 FHEARN COc1ccccc1/C=C1\Oc2c(ccc([O-])c2C[NH+]2CCCC2)C1=O ZINC000020624283 220338122 /nfs/dbraw/zinc/33/81/22/220338122.db2.gz SENRZSWPAUUHJY-UNOMPAQXSA-N 0 0 351.402 3.613 50 30 FHEARN C=CCN1c2ccccc2[C@]2(CC(=O)Nc3c2cnn3-c2ccccc2)C1=O ZINC000020715606 220338949 /nfs/dbraw/zinc/33/89/49/220338949.db2.gz AITUHZWFJBTFAG-QFIPXVFZSA-N 0 0 370.412 3.683 50 30 FHEARN C=CCNc1ccc(-c2nc(-c3ccccc3OC)no2)cc1[N+](=O)[O-] ZINC000020897718 220344189 /nfs/dbraw/zinc/34/41/89/220344189.db2.gz BGHMCGQRNCLGPJ-UHFFFAOYSA-N 0 0 352.350 3.918 50 30 FHEARN Cc1ccc(C/N=C2\C(c3ccc(OC(C)C)cc3)=Nc3ncnn32)cc1 ZINC000021102369 220351169 /nfs/dbraw/zinc/35/11/69/220351169.db2.gz WCOBKQHZWJUOPV-LSDHQDQOSA-N 0 0 359.433 3.955 50 30 FHEARN COc1ccc(-c2nc(SCCOc3ccc(C#N)cc3)n[nH]2)cc1 ZINC000022162920 220378792 /nfs/dbraw/zinc/37/87/92/220378792.db2.gz FUEGBKLXTOJVDX-UHFFFAOYSA-N 0 0 352.419 3.523 50 30 FHEARN C[C@H]1CC(=O)C2C(=Nc3nc(C(F)(F)F)nn3[C@@H]2c2ccc(F)cc2)C1 ZINC000022608137 220391531 /nfs/dbraw/zinc/39/15/31/220391531.db2.gz MCBZHYOYHUADHG-XLKFXECMSA-N 0 0 366.318 3.704 50 30 FHEARN C=CCn1cnnc1S[C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl ZINC000023295507 220421247 /nfs/dbraw/zinc/42/12/47/220421247.db2.gz BTBLGZYXLRRRRS-VIFPVBQESA-N 0 0 357.266 3.890 50 30 FHEARN CC(=O)c1ccc(OCCCC(=O)N(C)Cc2cccc(C#N)c2)cc1 ZINC000025293467 220481026 /nfs/dbraw/zinc/48/10/26/220481026.db2.gz LRQSJKPUYORUNQ-UHFFFAOYSA-N 0 0 350.418 3.578 50 30 FHEARN C=CCOc1ccc(C(=O)Nc2nonc2-c2ccc(OC)c(C)c2)cc1 ZINC000027664664 220544277 /nfs/dbraw/zinc/54/42/77/220544277.db2.gz TUHZIOSHDHDODN-UHFFFAOYSA-N 0 0 365.389 3.871 50 30 FHEARN CC(C)(C)c1ccc(S(=O)(=O)N/N=C\c2c[nH]c3ccccc23)cc1 ZINC000032577546 220664945 /nfs/dbraw/zinc/66/49/45/220664945.db2.gz OEOGDYAVHWAJDN-BKUYFWCQSA-N 0 0 355.463 3.778 50 30 FHEARN O=C(CCN1CCSC1=O)Nc1cccc(C#Cc2cccs2)c1 ZINC000032907519 220695682 /nfs/dbraw/zinc/69/56/82/220695682.db2.gz SEUGXOFXSLTGFZ-UHFFFAOYSA-N 0 0 356.472 3.645 50 30 FHEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1cnn(-c2ccccc2)c1 ZINC000032908479 220696427 /nfs/dbraw/zinc/69/64/27/220696427.db2.gz XBRRUVIHUDFVNC-UHFFFAOYSA-N 0 0 364.408 3.919 50 30 FHEARN COc1cccc(/C=C2/S/C(=N\c3cc(C)cc(C)c3)NC2=O)c1O ZINC000032916747 220697658 /nfs/dbraw/zinc/69/76/58/220697658.db2.gz YEJGKUDVZIHDQM-MHWRWJLKSA-N 0 0 354.431 3.909 50 30 FHEARN COC(=O)c1cc2ccccc2cc1OCC(=O)Nc1sccc1C#N ZINC000048326146 221007687 /nfs/dbraw/zinc/00/76/87/221007687.db2.gz QBYHNUUJTMBUMW-UHFFFAOYSA-N 0 0 366.398 3.577 50 30 FHEARN Cn1c2ccc(Cl)cc2nc1SCC(=O)NC1(C#N)CCCCC1 ZINC000048346206 221009010 /nfs/dbraw/zinc/00/90/10/221009010.db2.gz FDIYAMJKPLBAGZ-UHFFFAOYSA-N 0 0 362.886 3.661 50 30 FHEARN N#Cc1cccc(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)c1 ZINC000051364485 221036187 /nfs/dbraw/zinc/03/61/87/221036187.db2.gz XVEKMEAMNJNOQQ-SFHVURJKSA-N 0 0 355.397 3.717 50 30 FHEARN N#Cc1c(Cl)nsc1NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000052243818 221037905 /nfs/dbraw/zinc/03/79/05/221037905.db2.gz YZRIWENIJAEPPK-UHFFFAOYSA-N 0 0 364.833 3.524 50 30 FHEARN Cc1ccc2c(ncc(C(=O)N3CCCC3)c2Nc2cccc(C#N)c2)n1 ZINC000049004532 221015812 /nfs/dbraw/zinc/01/58/12/221015812.db2.gz GRRVECBCAFUFLS-UHFFFAOYSA-N 0 0 357.417 3.790 50 30 FHEARN C=C(C)CN(CC)Cc1cnc(S(=O)(=O)C(C)C)n1CCC(C)C ZINC000055118756 221060078 /nfs/dbraw/zinc/06/00/78/221060078.db2.gz FWHAXPLQDAFXBT-UHFFFAOYSA-N 0 0 355.548 3.509 50 30 FHEARN COc1ccc(C)cc1[C@@H](C(=O)[O-])[NH+]1CCC(c2cccc(C#N)c2)CC1 ZINC000055165910 221061178 /nfs/dbraw/zinc/06/11/78/221061178.db2.gz ZETWJVXDAABZCT-NRFANRHFSA-N 0 0 364.445 3.881 50 30 FHEARN Cc1ccnc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000053292086 221044622 /nfs/dbraw/zinc/04/46/22/221044622.db2.gz XTXZNJARJMDXBY-UHFFFAOYSA-N 0 0 354.172 3.797 50 30 FHEARN Cc1cccc(-c2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)o2)c1 ZINC000054061440 221049127 /nfs/dbraw/zinc/04/91/27/221049127.db2.gz NNQAVTGAYXFODD-UHFFFAOYSA-N 0 0 358.445 3.844 50 30 FHEARN C=CCN(CCc1ccccc1)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000058171084 221102799 /nfs/dbraw/zinc/10/27/99/221102799.db2.gz IBIYCHDRTPSVOT-UHFFFAOYSA-N 0 0 355.434 3.583 50 30 FHEARN C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1sccc1C#N ZINC000057392144 221087833 /nfs/dbraw/zinc/08/78/33/221087833.db2.gz IAKGDFGLUYGVQT-LLVKDONJSA-N 0 0 356.476 3.861 50 30 FHEARN N#Cc1ccsc1NC(=O)c1ccc(CNC(=O)c2cccs2)cc1 ZINC000058158116 221099333 /nfs/dbraw/zinc/09/93/33/221099333.db2.gz VHYXEAKWLFVYKA-UHFFFAOYSA-N 0 0 367.455 3.864 50 30 FHEARN Cc1nc(COc2ccc(/C=C3\CCc4cc(O)ccc4C3=O)cc2)no1 ZINC000060364418 221130262 /nfs/dbraw/zinc/13/02/62/221130262.db2.gz PDDZAFPGDDPTHA-MHWRWJLKSA-N 0 0 362.385 3.875 50 30 FHEARN CCN(CC)c1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+](C)C)C2=O)cc1 ZINC000062957630 221140211 /nfs/dbraw/zinc/14/02/11/221140211.db2.gz SAPJAOKMGBIQDN-MOSHPQCFSA-N 0 0 366.461 3.916 50 30 FHEARN C=CCn1c(=O)oc2ccc(C(=O)Nc3nc4ccccc4s3)cc21 ZINC000064894643 221155396 /nfs/dbraw/zinc/15/53/96/221155396.db2.gz LWJWHHGQVJTPNV-UHFFFAOYSA-N 0 0 351.387 3.643 50 30 FHEARN Cc1cccc([C@]2(O)c3ccccc3N(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000065154998 221173784 /nfs/dbraw/zinc/17/37/84/221173784.db2.gz RWUXUWDWPMAAMT-QHCPKHFHSA-N 0 0 354.409 3.649 50 30 FHEARN CC(=O)[C@@H]1[C@H](c2ccccc2)C(C#N)(C#N)[C@H](c2ccccc2)C[C@@]1(C)O ZINC000066091572 221239896 /nfs/dbraw/zinc/23/98/96/221239896.db2.gz KKHGJDYWHZQWDQ-LNRXMEIDSA-N 0 0 358.441 3.947 50 30 FHEARN CCCSc1ncc(-c2cc(-c3ccn(C)c3)nc(N)c2C#N)cn1 ZINC000067473505 221257699 /nfs/dbraw/zinc/25/76/99/221257699.db2.gz GVWBMKNOZZQGBQ-UHFFFAOYSA-N 0 0 350.451 3.500 50 30 FHEARN COc1cc(-c2cc(-c3ccc(O)cc3Cl)c(C#N)c(N)n2)ccc1O ZINC000067677064 221270939 /nfs/dbraw/zinc/27/09/39/221270939.db2.gz AFGNYCVLHASEPR-UHFFFAOYSA-N 0 0 367.792 3.943 50 30 FHEARN COc1ccc(F)c([C@H]2c3[nH]cnc3CCN2Cc2ccccc2C#N)c1 ZINC000067713121 221274883 /nfs/dbraw/zinc/27/48/83/221274883.db2.gz RRDJKUWJJGDLSD-NRFANRHFSA-N 0 0 362.408 3.577 50 30 FHEARN Cc1ccc(-c2cc(-c3cccc(CN4CCOCC4)c3)c(C#N)c(N)n2)o1 ZINC000067817941 221289748 /nfs/dbraw/zinc/28/97/48/221289748.db2.gz BJZSCNYXLADHQA-UHFFFAOYSA-N 0 0 374.444 3.603 50 30 FHEARN COc1ccc(-c2cc(-c3cccs3)c(C#N)c(N)n2)c(OC)c1OC ZINC000067770711 221282704 /nfs/dbraw/zinc/28/27/04/221282704.db2.gz VBLNACSRTZAPJC-UHFFFAOYSA-N 0 0 367.430 3.957 50 30 FHEARN C=CCCC(=O)N1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 ZINC000067758809 221283142 /nfs/dbraw/zinc/28/31/42/221283142.db2.gz ZRMGMCATEJIONP-UHFFFAOYSA-N 0 0 358.825 3.795 50 30 FHEARN COc1cc(OC)c(-c2cc(-c3ccccn3)nc(N)c2C#N)cc1Cl ZINC000067784597 221284594 /nfs/dbraw/zinc/28/45/94/221284594.db2.gz XWXAIMHAIKWUQC-UHFFFAOYSA-N 0 0 366.808 3.935 50 30 FHEARN COc1ccccc1-c1cc(-c2c(OC)cccc2OC)c(C#N)c(N)n1 ZINC000067787837 221285557 /nfs/dbraw/zinc/28/55/57/221285557.db2.gz RFRBHZRKRAMSJX-UHFFFAOYSA-N 0 0 361.401 3.895 50 30 FHEARN C[C@H]1OCc2c1nc(N)c(C#N)c2-c1cccc(OCc2ccccn2)c1 ZINC000071388726 221345472 /nfs/dbraw/zinc/34/54/72/221345472.db2.gz YTWKCHSQSJEIFI-CYBMUJFWSA-N 0 0 358.401 3.768 50 30 FHEARN N#Cc1c(N)nc(-c2cnn(-c3cccc(Cl)c3)c2)cc1[C@H]1CCOC1 ZINC000071745984 221357691 /nfs/dbraw/zinc/35/76/91/221357691.db2.gz NWYFGOXYLMSDKW-LBPRGKRZSA-N 0 0 365.824 3.545 50 30 FHEARN N#Cc1c(N)nc2c(c1[C@@H]1CC=CCC1)CN(C(=O)c1ccccc1)CC2 ZINC000071745265 221358568 /nfs/dbraw/zinc/35/85/68/221358568.db2.gz QPKVEIMIQLDQHZ-OAHLLOKOSA-N 0 0 358.445 3.558 50 30 FHEARN COc1ccc(-c2cc(-c3ccc(O)cc3Cl)c(C#N)c(N)n2)cn1 ZINC000071748679 221361155 /nfs/dbraw/zinc/36/11/55/221361155.db2.gz LRIWLWRNNOCYAY-UHFFFAOYSA-N 0 0 352.781 3.632 50 30 FHEARN C=C(C)C(C)(C)C(=O)N1CCc2c(nc(-c3ccccc3)nc2N(C)C)C1 ZINC000071752510 221363885 /nfs/dbraw/zinc/36/38/85/221363885.db2.gz YAKPZRCQBIUJAF-UHFFFAOYSA-N 0 0 364.493 3.697 50 30 FHEARN Cc1ccc(F)c(N2CCC(Nc3ccc([N+](=O)[O-])cc3C#N)CC2)c1 ZINC000096003736 132216916 /nfs/dbraw/zinc/21/69/16/132216916.db2.gz SOXVHIREIJHSGZ-UHFFFAOYSA-N 0 0 354.385 3.995 50 30 FHEARN COC(=O)c1cc(/N=C/c2ccc(Cl)cc2)ccc1N1CCOCC1 ZINC000102414066 132234812 /nfs/dbraw/zinc/23/48/12/132234812.db2.gz RIJLCRSWZVGZOM-FYJGNVAPSA-N 0 0 358.825 3.714 50 30 FHEARN C=CCN1CCN(C(=O)Nc2cccc(Br)c2)c2cccnc21 ZINC000064929539 132305491 /nfs/dbraw/zinc/30/54/91/132305491.db2.gz PVPKFKSNIDRDAU-UHFFFAOYSA-N 0 0 373.254 3.889 50 30 FHEARN Cc1ccc(N2CCN(/N=C/c3ccccc3Br)CC2)cc1 ZINC000000946056 132379353 /nfs/dbraw/zinc/37/93/53/132379353.db2.gz KIQNNUSCZRBCCL-XSFVSMFZSA-N 0 0 358.283 3.914 50 30 FHEARN N#Cc1nc(-c2ccco2)oc1N1CCN(c2cccc(Cl)c2)CC1 ZINC000002419146 132383448 /nfs/dbraw/zinc/38/34/48/132383448.db2.gz PZRCZOPITMIRAL-UHFFFAOYSA-N 0 0 354.797 3.786 50 30 aggregator FHEARN N#Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1 ZINC000005864473 132830428 /nfs/dbraw/zinc/83/04/28/132830428.db2.gz QFOBFTSMZBSUMO-UHFFFAOYSA-N 0 0 350.378 3.709 50 30 FHEARN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)N[C@H]1c1cccc(C#N)c1 ZINC000010353230 132848221 /nfs/dbraw/zinc/84/82/21/132848221.db2.gz SFSTVUJRCAHVQP-IBGZPJMESA-N 0 0 361.401 3.585 50 30 FHEARN N#Cc1c(F)cccc1N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000052427608 136124286 /nfs/dbraw/zinc/12/42/86/136124286.db2.gz HFFHXMQBEFWVOZ-UHFFFAOYSA-N 0 0 373.815 3.911 50 30 FHEARN CN(Cc1cccc(C#N)c1)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000058215060 136131009 /nfs/dbraw/zinc/13/10/09/136131009.db2.gz JXHXSGDCHZSQLR-UHFFFAOYSA-N 0 0 362.477 3.890 50 30 FHEARN Cc1[nH]cnc1-c1cc(-c2ccc(N3CCCCC3)cc2)nc(N)c1C#N ZINC000071498038 136139415 /nfs/dbraw/zinc/13/94/15/136139415.db2.gz VVITTWZELORDGU-UHFFFAOYSA-N 0 0 358.449 3.891 50 30 FHEARN Cc1c(C(=O)/C=C\c2cccc3c2OCCCO3)nnn1-c1ccccc1 ZINC000096401877 222120271 /nfs/dbraw/zinc/12/02/71/222120271.db2.gz WPLBZMICUQRFHN-QXMHVHEDSA-N 0 0 361.401 3.633 50 30 FHEARN CCN1C/C(=C/c2ccc(C#N)cc2)C(=O)/C(=C\c2ccc(C#N)cc2)C1 ZINC000096766864 222128998 /nfs/dbraw/zinc/12/89/98/222128998.db2.gz CLYIOMCWAICOQA-IINORCHSSA-N 0 0 353.425 3.802 50 30 FHEARN CCCNS(=O)(=O)c1ccc(C(=O)/C=C\c2ccc(OCC)cc2)cc1 ZINC000096765657 222129511 /nfs/dbraw/zinc/12/95/11/222129511.db2.gz BPHLKTNHGBVYRH-AUWJEWJLSA-N 0 0 373.474 3.670 50 30 FHEARN N#CC1(c2ccccc2)CCN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000097823638 222215994 /nfs/dbraw/zinc/21/59/94/222215994.db2.gz DGAQCMSGBSRCAI-UHFFFAOYSA-N 0 0 356.429 3.774 50 30 FHEARN N#Cc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccccc3)no2)c1 ZINC000098211360 222230475 /nfs/dbraw/zinc/23/04/75/222230475.db2.gz FFVCKPREVCULRV-UHFFFAOYSA-N 0 0 369.384 3.715 50 30 FHEARN CCCC(Nc1ccc(OC)cc1)=C1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000100162991 222238005 /nfs/dbraw/zinc/23/80/05/222238005.db2.gz DOVKOPOVJWJYHP-RZPKCTKSSA-N 0 0 373.449 3.519 50 30 FHEARN CCOC(=O)c1c(C)c(C)sc1NC=C1C(=O)c2ccccc2C1=O ZINC000100299946 222240338 /nfs/dbraw/zinc/24/03/38/222240338.db2.gz SQTAJAPFLJYNMF-AWQFTUOYSA-N 0 0 355.415 3.939 50 30 FHEARN COc1ccccc1NC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O ZINC000100461531 222244366 /nfs/dbraw/zinc/24/43/66/222244366.db2.gz SKHLQEYQHYUBHY-UHFFFAOYSA-N 0 0 362.429 3.884 50 30 FHEARN COc1cc([N+](=O)[O-])ccc1NC=C1C(=O)CC(c2ccccc2)CC1=O ZINC000100584905 222247531 /nfs/dbraw/zinc/24/75/31/222247531.db2.gz CJPGLVCSXSEGNM-UHFFFAOYSA-N 0 0 366.373 3.615 50 30 FHEARN COc1ccc(NC=C2C(=O)CC(c3ccccc3)CC2=O)c(OC)c1 ZINC000100666419 222249269 /nfs/dbraw/zinc/24/92/69/222249269.db2.gz PWQDQOLCSOLVLK-UHFFFAOYSA-N 0 0 351.402 3.715 50 30 FHEARN O=C1C[C@H]2c3ccccc3CCN2C(=O)C1=CNc1ccc(Cl)cc1 ZINC000100916868 222256602 /nfs/dbraw/zinc/25/66/02/222256602.db2.gz ZVPARHIXMDCHFW-WQJNHMDYSA-N 0 0 352.821 3.735 50 30 FHEARN CC1(C)Cc2nc(NC=C3C(=O)c4ccccc4C3=O)sc2C(=O)C1 ZINC000100944209 222257804 /nfs/dbraw/zinc/25/78/04/222257804.db2.gz PKNBFGHRDONDSH-UHFFFAOYSA-N 0 0 352.415 3.673 50 30 FHEARN COc1ccc(N/N=C2/Sc3nc4cc(C)c(C)cc4n3C2=O)cc1 ZINC000101198351 222264937 /nfs/dbraw/zinc/26/49/37/222264937.db2.gz WSTHOFICRRELRH-LTGZKZEYSA-N 0 0 352.419 3.833 50 30 FHEARN C=CCSc1nc2n(n1)[C@@H](c1ccc(O)cc1)C1C(=O)CCCC1=N2 ZINC000101324176 222269932 /nfs/dbraw/zinc/26/99/32/222269932.db2.gz TVZCJKOPJQLVLI-INIZCTEOSA-N 0 0 354.435 3.933 50 30 FHEARN COC(=O)/C=C1\S/C(=N\c2ccccc2)N(Cc2cccs2)C1=O ZINC000101661897 222280542 /nfs/dbraw/zinc/28/05/42/222280542.db2.gz WZXLVFLEMXWSLG-GVXDGLBUSA-N 0 0 358.444 3.568 50 30 FHEARN CC1=CC(=O)C(=C2C[C@@H](c3cccc(O)c3)Nc3ccccc3N2)C(=O)O1 ZINC000102443794 222297139 /nfs/dbraw/zinc/29/71/39/222297139.db2.gz CTTRWDJQXLVNOS-DMEQXSTQSA-N 0 0 362.385 3.645 50 30 FHEARN Cc1cc(C)cc(C(=O)/C=C2/SCC(=O)N2Cc2ccc(C#N)cc2)c1 ZINC000105727155 222373827 /nfs/dbraw/zinc/37/38/27/222373827.db2.gz YKDBDDPVDZVTEJ-UFFVCSGVSA-N 0 0 362.454 3.975 50 30 FHEARN C=CCSc1nnc(NC(=O)COc2ccc3ccccc3c2)s1 ZINC000002629901 263325849 /nfs/dbraw/zinc/32/58/49/263325849.db2.gz YVYPQEQPSCAECC-UHFFFAOYSA-N 0 0 357.460 3.987 50 30 FHEARN Cc1nc2n(n1)[C@@H](c1ccc(C)cc1)C1C(=O)C[C@@H](c3ccco3)CC1=N2 ZINC000004502367 263333781 /nfs/dbraw/zinc/33/37/81/263333781.db2.gz YHRMIFSXFOSEOD-YWZLYKJASA-N 0 0 360.417 3.904 50 30 FHEARN Cc1c(C)c(C)c(C(=O)OCC(=O)NC2(C#N)CCCCC2)c(C)c1C ZINC000004580827 263334528 /nfs/dbraw/zinc/33/45/28/263334528.db2.gz ZEAZQZWJDACCSQ-UHFFFAOYSA-N 0 0 356.466 3.728 50 30 FHEARN C=CCOc1c(Cl)cc(/C=C2\C(=O)N(CCC#N)N=C2C)cc1OCC ZINC000004613907 263334830 /nfs/dbraw/zinc/33/48/30/263334830.db2.gz LHYLOFDZVRRZRA-GDNBJRDFSA-N 0 0 373.840 3.819 50 30 FHEARN CSc1ccc(/C=N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 ZINC000004680496 263335610 /nfs/dbraw/zinc/33/56/10/263335610.db2.gz HRNQWVURQLISOA-GIJQJNRQSA-N 0 0 374.263 3.946 50 30 FHEARN O=[N+]([O-])c1cccc(-c2ccc(CN=Nc3ncccc3[N+](=O)[O-])o2)c1 ZINC000004712256 263336443 /nfs/dbraw/zinc/33/64/43/263336443.db2.gz ZWXPMRDMEDVMDD-VCHYOVAHSA-N 0 0 353.294 3.604 50 30 FHEARN N#CCCN(C(=O)COc1ccccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000005216488 263339200 /nfs/dbraw/zinc/33/92/00/263339200.db2.gz QJSZZFRSMQJQHO-UHFFFAOYSA-N 0 0 359.769 3.574 50 30 FHEARN C=C(C)COc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000006715895 263346604 /nfs/dbraw/zinc/34/66/04/263346604.db2.gz VVQATHOSZCTMTQ-UHFFFAOYSA-N 0 0 354.425 3.743 50 30 FHEARN CCOC(=O)c1sc(N)c(C#N)c1COc1ccc(F)cc1Cl ZINC000007123115 263349288 /nfs/dbraw/zinc/34/92/88/263349288.db2.gz ICSDPVAZGLTDSO-UHFFFAOYSA-N 0 0 354.790 3.750 50 30 FHEARN O=c1[nH][nH]c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(CCCC1=O)N2 ZINC000018195481 263373312 /nfs/dbraw/zinc/37/33/12/263373312.db2.gz UZPSOJTUMLRZET-LBPRGKRZSA-N 0 0 350.205 3.987 50 30 FHEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccn1 ZINC000019638535 263375382 /nfs/dbraw/zinc/37/53/82/263375382.db2.gz UGTZYXZUNXEWER-FQEVSTJZSA-N 0 0 354.450 3.783 50 30 FHEARN CC[C@H](CNC(=O)CCc1c(C)nn(CCC#N)c1C)c1ccccc1 ZINC000023019562 263386646 /nfs/dbraw/zinc/38/66/46/263386646.db2.gz ZDCDVKDTZNSJAI-GOSISDBHSA-N 0 0 352.482 3.656 50 30 FHEARN C=CCc1c(C)nn(-c2nc(CC(=O)Nc3ccccc3F)cs2)c1C ZINC000033019199 263394653 /nfs/dbraw/zinc/39/46/53/263394653.db2.gz BGYQYVMGISTBBG-UHFFFAOYSA-N 0 0 370.453 3.994 50 30 FHEARN N#CCCSc1ccccc1NC(=O)CCNC(=O)c1ccsc1 ZINC000095953468 263429560 /nfs/dbraw/zinc/42/95/60/263429560.db2.gz GKURUTUAOUYTQI-UHFFFAOYSA-N 0 0 359.476 3.512 50 30 FHEARN C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)[C@@H]1COc2ccccc21 ZINC000095974324 263430210 /nfs/dbraw/zinc/43/02/10/263430210.db2.gz ZOILYAKJOJOCBF-KXBFYZLASA-N 0 0 352.409 3.535 50 30 FHEARN N#Cc1ccnc(N2CC[C@]3(C2)CCCN(Cc2cccc(F)c2F)C3)c1 ZINC000426700086 263659923 /nfs/dbraw/zinc/65/99/23/263659923.db2.gz RUXGCLYMOWVKHR-OAQYLSRUSA-N 0 0 368.431 3.724 50 30 FHEARN Cc1cc(=O)oc2cc(OCC(C)N=Nc3ccc([N+](=O)[O-])cc3)ccc12 ZINC000015938334 518476259 /nfs/dbraw/zinc/47/62/59/518476259.db2.gz HBXIHJZNQRTVJB-MOSHPQCFSA-N 0 0 367.361 3.876 50 30 FHEARN CC(=O)c1nnn(-c2cc(C#N)c(C#N)cc2/C=C/c2ccccc2)c1C ZINC000078549763 518495386 /nfs/dbraw/zinc/49/53/86/518495386.db2.gz UUEAXHUVSSNXFH-CMDGGOBGSA-N 0 0 353.385 3.692 50 30 FHEARN C=CCNC(=O)[C@@H](C)Sc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 ZINC000007837316 518916462 /nfs/dbraw/zinc/91/64/62/518916462.db2.gz QTQUUQOEJYLHBZ-WDEREUQCSA-N 0 0 363.508 3.706 50 30 FHEARN C=CCNc1nnc(S[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)s1 ZINC000005783898 518967911 /nfs/dbraw/zinc/96/79/11/518967911.db2.gz YJSPPVLCUVPNRS-NEPJUHHUSA-N 0 0 360.508 3.594 50 30 FHEARN C=CCSc1nnc(NC(=O)Cc2coc(-c3ccccc3)n2)s1 ZINC000027448342 519086522 /nfs/dbraw/zinc/08/65/22/519086522.db2.gz GDPYDWZSGWLRLC-UHFFFAOYSA-N 0 0 358.448 3.652 50 30 FHEARN C=CCc1ccc(C(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)cc1 ZINC000091548636 519134094 /nfs/dbraw/zinc/13/40/94/519134094.db2.gz ZXYIPARBJCRNRX-UHFFFAOYSA-N 0 0 366.505 3.670 50 30 FHEARN C=CCn1c(=O)c2ccccc2nc1SCC(=O)c1ccccc1F ZINC000003264815 519161298 /nfs/dbraw/zinc/16/12/98/519161298.db2.gz NTKAHVDFERSOTF-UHFFFAOYSA-N 0 0 354.406 3.697 50 30 FHEARN C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccco3)n2C)c1C ZINC000005862813 519170475 /nfs/dbraw/zinc/17/04/75/519170475.db2.gz MXXMYTZCDRTAOZ-UHFFFAOYSA-N 0 0 356.451 3.654 50 30 FHEARN C=CCn1c(C)nnc1SCC(=O)c1cc(C)n(-c2nccs2)c1C ZINC000006909964 519173228 /nfs/dbraw/zinc/17/32/28/519173228.db2.gz ZPVGYCWCANBINQ-UHFFFAOYSA-N 0 0 373.507 3.612 50 30 FHEARN C=CCn1c2ccccc2nc1SCC(=O)NCc1ccc(F)cc1 ZINC000004485603 519266989 /nfs/dbraw/zinc/26/69/89/519266989.db2.gz GWIDDDKANHKGGR-UHFFFAOYSA-N 0 0 355.438 3.770 50 30 FHEARN CC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(C)c(C)c1 ZINC000020849191 519754090 /nfs/dbraw/zinc/75/40/90/519754090.db2.gz FLGCWERYZHMMRD-XDOYNYLZSA-N 0 0 350.374 3.681 50 30 FHEARN CCCCCCCCCS(=O)(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000002190086 520029826 /nfs/dbraw/zinc/02/98/26/520029826.db2.gz KRGGELMCCCTDAX-SAPNQHFASA-N 0 0 355.460 3.599 50 30 FHEARN CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccc(CC)cc2)C1=O ZINC000101662421 520068615 /nfs/dbraw/zinc/06/86/15/520068615.db2.gz AGQXIEJCYFOSEN-NRFANRHFSA-N 0 0 373.497 3.859 50 30 FHEARN CCOc1cc(C=Nn2cn[nH]c2=S)ccc1OCc1ccccc1F ZINC000005444465 520643975 /nfs/dbraw/zinc/64/39/75/520643975.db2.gz CPGXLERIDPQDOU-UFFVCSGVSA-N 0 0 372.425 3.940 50 30 FHEARN CCOc1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000096765520 520851475 /nfs/dbraw/zinc/85/14/75/520851475.db2.gz GIGMSMLHHWUAPQ-YHYXMXQVSA-N 0 0 355.409 3.957 50 30 FHEARN CCOc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)cc1OC ZINC000025329322 520852310 /nfs/dbraw/zinc/85/23/10/520852310.db2.gz FRDLROIETYLLGW-XQNSMLJCSA-N 0 0 367.493 3.554 50 30 FHEARN CCOc1ccccc1N1CCN(CC(=O)Nc2ccc(C)cc2F)CC1 ZINC000024865455 521515501 /nfs/dbraw/zinc/51/55/01/521515501.db2.gz HQXCSBFPRQQRFO-UHFFFAOYSA-N 0 0 371.456 3.943 50 30 FHEARN COc1cc(/C(C)=N\N2CCN(Cc3ccccc3Cl)CC2)ccc1O ZINC000020082975 521921431 /nfs/dbraw/zinc/92/14/31/521921431.db2.gz NZUFXICBKOAXQH-JCMHNJIXSA-N 0 0 373.884 3.596 50 30 FHEARN COc1cc(/C=C\C(=O)c2cccc(N3CCCC3=O)c2)cc(OC)c1 ZINC000096920247 521985158 /nfs/dbraw/zinc/98/51/58/521985158.db2.gz YJGPBNMTWLEIDH-HJWRWDBZSA-N 0 0 351.402 3.727 50 30 FHEARN COc1cc(C=Nn2c(C)n[nH]c2=S)ccc1OCCc1ccccc1 ZINC000005521097 522000566 /nfs/dbraw/zinc/00/05/66/522000566.db2.gz ZXZYCMBFKFZTTB-DEDYPNTBSA-N 0 0 368.462 3.761 50 30 FHEARN COc1cc(CNC(=O)N2CCC(C#N)CC2)ccc1OCCC(C)C ZINC000057993259 522416440 /nfs/dbraw/zinc/41/64/40/522416440.db2.gz LAAYNJXAARVLTJ-UHFFFAOYSA-N 0 0 359.470 3.565 50 30 FHEARN COc1ccc(C2N=NC(=S)N2N=CC=Cc2ccccc2OC)cc1 ZINC000002304510 523255565 /nfs/dbraw/zinc/25/55/65/523255565.db2.gz HBRXRORBHIQJBC-AMYLNKINSA-N 0 0 366.446 3.798 50 30 FHEARN COc1ccc(/C=C\C(=O)c2cccc(N3CCCC3=O)c2)c(OC)c1 ZINC000096920204 523434236 /nfs/dbraw/zinc/43/42/36/523434236.db2.gz MCYFCTNBCPPUHX-LUAWRHEFSA-N 0 0 351.402 3.727 50 30 FHEARN COc1ccc(C(=O)O/N=C2\CCCc3cc(OC)c(C)cc32)cc1OC ZINC000005101728 523770385 /nfs/dbraw/zinc/77/03/85/523770385.db2.gz VMALKRJZXNUYQN-OQKWZONESA-N 0 0 369.417 3.918 50 30 FHEARN COc1ccnc(-n2cccc2/C=N/OCc2ccc(Cl)cc2)c1C#N ZINC000004024996 524826786 /nfs/dbraw/zinc/82/67/86/524826786.db2.gz OHOJQUBWTOOABZ-FSJBWODESA-N 0 0 366.808 3.957 50 30 FHEARN Cc1ccccc1/C=C1\Oc2cc(OCC(=O)OC(C)C)ccc2C1=O ZINC000002099353 525040073 /nfs/dbraw/zinc/04/00/73/525040073.db2.gz IMJLZJHWZATEQY-GRSHGNNSSA-N 0 0 352.386 3.942 50 30 biogenic FHEARN Cc1ccccc1OCCOc1ccc(Cl)cc1/C=N/n1cnnc1 ZINC000002959080 525304103 /nfs/dbraw/zinc/30/41/03/525304103.db2.gz LDRJHZGUGKNYMU-SSDVNMTOSA-N 0 0 356.813 3.580 50 30 FHEARN Cc1ccnc(NC(=NS(=O)(=O)c2cccs2)c2ccccc2)c1 ZINC000005574741 525664377 /nfs/dbraw/zinc/66/43/77/525664377.db2.gz GZGGVORJEKARLC-UHFFFAOYSA-N 0 0 357.460 3.699 50 30 FHEARN C[C@@](C#N)(NC(=O)CSc1ncc(C(F)(F)F)cc1Cl)C1CC1 ZINC000003386514 525739565 /nfs/dbraw/zinc/73/95/65/525739565.db2.gz RNJIKHZYFMHSKP-ZDUSSCGKSA-N 0 0 363.792 3.654 50 30 FHEARN COc1cccc(CN=Nc2nc(-c3cccnc3)nc3ccccc32)c1O ZINC000004811881 525772456 /nfs/dbraw/zinc/77/24/56/525772456.db2.gz KGSPMASMABTSNR-YDZHTSKRSA-N 0 0 371.400 3.852 50 30 FHEARN COc1cccc(NC(=Nc2ccc(C#N)cc2)n2sc(C)cc2=N)c1 ZINC000020344072 526135969 /nfs/dbraw/zinc/13/59/69/526135969.db2.gz VYFZQIIOQDGQAI-UHFFFAOYSA-N 0 0 363.446 3.866 50 30 FHEARN Oc1ccc(C=Nn2c(-c3ccccc3)nnc2-c2ccccc2)c(O)c1 ZINC000239038710 526343569 /nfs/dbraw/zinc/34/35/69/526343569.db2.gz DSHPDJICQFVRQK-UHFFFAOYSA-N 0 0 356.385 3.906 50 30 FHEARN S=C1N=NC(c2ccccc2)N1N=Cc1cccc(Br)c1 ZINC000252429350 526389504 /nfs/dbraw/zinc/38/95/04/526389504.db2.gz GESPWZBVNAYMDX-UHFFFAOYSA-N 0 0 359.252 3.879 50 30 FHEARN S=C1N=NC(c2ccco2)N1N=Cc1ccc(COc2ccccc2)o1 ZINC000020617932 526389672 /nfs/dbraw/zinc/38/96/72/526389672.db2.gz OCVMIIAIYKIPFF-YBFXNURJSA-N 0 0 366.402 3.881 50 30 FHEARN N#CC1(NC(=O)CSc2ncc(-c3ccc(F)cc3)o2)CCCCC1 ZINC000008734172 526437709 /nfs/dbraw/zinc/43/77/09/526437709.db2.gz UYOFBRYQHIVSDX-UHFFFAOYSA-N 0 0 359.426 3.915 50 30 FHEARN N#CCCN(CC(F)(F)F)C(=O)COc1ccc(Cl)cc1Cl ZINC000072306448 526452923 /nfs/dbraw/zinc/45/29/23/526452923.db2.gz VICGSBORIREUJJ-UHFFFAOYSA-N 0 0 355.143 3.677 50 30 FHEARN Cc1nc(-c2cccc(N[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c2)cs1 ZINC000008429241 526593453 /nfs/dbraw/zinc/59/34/53/526593453.db2.gz LEVRPDWMNOFUTJ-DJJJIMSYSA-N 0 0 356.495 3.973 50 30 FHEARN O=C1c2ccc3c(c2O/C1=C\c1ccco1)[C@H](c1ccncc1)CC(=O)O3 ZINC000253410538 527125439 /nfs/dbraw/zinc/12/54/39/527125439.db2.gz NLSDZVIVUHZDLF-HAKPAVFJSA-N 0 0 359.337 3.732 50 30 FHEARN C=CCOc1ccc([C@H]2c3c([nH][nH]c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000012347636 568284481 /nfs/dbraw/zinc/28/44/81/568284481.db2.gz PAVNCCIQFMHCJD-MRXNPFEDSA-N 0 0 365.433 3.881 50 30 FHEARN CCOc1cc(/C=N/c2cccc(C(F)(F)F)c2)ccc1OCC(N)=O ZINC000000681001 570448906 /nfs/dbraw/zinc/44/89/06/570448906.db2.gz QZQJIXKIENZQGL-AUEPDCJTSA-N 0 0 366.339 3.719 50 30 FHEARN COc1cccc([C@@H]2C3=C(NC4=C2C(=O)CCC4)c2ccccc2C3=O)c1 ZINC000000780017 570455851 /nfs/dbraw/zinc/45/58/51/570455851.db2.gz AZAOPXCUWDXTQL-IBGZPJMESA-N 0 0 357.409 3.997 50 30 FHEARN O=C(/C=C1\C(=O)Nc2ccc(F)cc21)c1ccc(Br)s1 ZINC000001129824 570482522 /nfs/dbraw/zinc/48/25/22/570482522.db2.gz JXBXHXQSOXEXKO-TWGQIWQCSA-N 0 0 352.184 3.868 50 30 FHEARN Cc1ccc(S(=O)(=O)NN=C(c2ccccc2)c2ccccc2)cc1 ZINC000001403651 570498803 /nfs/dbraw/zinc/49/88/03/570498803.db2.gz AVWHDUALELPLAI-UHFFFAOYSA-N 0 0 350.443 3.726 50 30 FHEARN CCOc1cc(C#N)cc(I)c1OCCC(C)C ZINC000004829098 570512806 /nfs/dbraw/zinc/51/28/06/570512806.db2.gz KNJYVTXABIGGPR-UHFFFAOYSA-N 0 0 359.207 3.986 50 30 FHEARN Cc1cccnc1CN1CCN(Cc2ccc(-c3ccccc3C#N)o2)CC1 ZINC000072129524 570525854 /nfs/dbraw/zinc/52/58/54/570525854.db2.gz FQGDYZVGWKLMTJ-UHFFFAOYSA-N 0 0 372.472 3.840 50 30 FHEARN Cn1cc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C#N ZINC000072169683 570526476 /nfs/dbraw/zinc/52/64/76/570526476.db2.gz KJIQNZQGTRFOSV-UHFFFAOYSA-N 0 0 370.500 3.804 50 30 FHEARN COc1ccc(-n2cccc2/C=N/NC(=S)Nc2ccccc2)cc1 ZINC000003273952 570556683 /nfs/dbraw/zinc/55/66/83/570556683.db2.gz ZYIUEJFKSVWZBZ-XSFVSMFZSA-N 0 0 350.447 3.806 50 30 FHEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCC ZINC000003901745 570571183 /nfs/dbraw/zinc/57/11/83/570571183.db2.gz OTOPSFHFGHPMGO-FQEVSTJZSA-N 0 0 367.445 3.782 50 30 FHEARN COc1ccc([C@@H]2C[C@H]([C@H]3C(=O)CCC[C@H]3O)C3=C(CCCC3=O)O2)cc1 ZINC000004114495 570576856 /nfs/dbraw/zinc/57/68/56/570576856.db2.gz QRSLYQPONMQITO-WWEWDKITSA-N 0 0 370.445 3.510 50 30 FHEARN O=c1c2c3c(sc2ncn1/N=C/c1cc(Cl)ccc1O)CCCC3 ZINC000004152246 570579109 /nfs/dbraw/zinc/57/91/09/570579109.db2.gz CEFHYBIUCGHPFP-DNTJNYDQSA-N 0 0 359.838 3.578 50 30 FHEARN N#CCc1ccc(NC(=O)CNc2ccc(Br)cc2F)cc1 ZINC000011725047 570593072 /nfs/dbraw/zinc/59/30/72/570593072.db2.gz DWPJDVDBLJZKDT-UHFFFAOYSA-N 0 0 362.202 3.705 50 30 FHEARN COc1ccccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1cccs1)C2 ZINC000004520691 570595006 /nfs/dbraw/zinc/59/50/06/570595006.db2.gz GWDTVFISSNNIPW-OCCSQVGLSA-N 0 0 353.443 3.761 50 30 FHEARN CCCc1[nH][nH]c(=O)c1[C@@H](c1ccc(Br)cc1)C(C#N)C#N ZINC000004631485 570598116 /nfs/dbraw/zinc/59/81/16/570598116.db2.gz KYSCHESGFLCCBN-AWEZNQCLSA-N 0 0 359.227 3.626 50 30 FHEARN CC(=O)Nc1ccc([C@@H]2C3=C(CCCC3=O)O[C@@H]3CCCC(=O)[C@H]32)cc1 ZINC000004867346 570611666 /nfs/dbraw/zinc/61/16/66/570611666.db2.gz FSGGLVGJQVCFIE-YZGWKJHDSA-N 0 0 353.418 3.504 50 30 FHEARN CN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N\c1cccc(Cl)c1 ZINC000004871993 570612040 /nfs/dbraw/zinc/61/20/40/570612040.db2.gz LXIKOIKPIJSPJE-XAIYEJPOSA-N 0 0 373.865 3.930 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc([N+](=O)[O-])cc2)C[C@@H]1c1ccccc1 ZINC000004906907 570612753 /nfs/dbraw/zinc/61/27/53/570612753.db2.gz LCNHMTWIHYLEKA-QUCCMNQESA-N 0 0 365.385 3.914 50 30 aggregator FHEARN CC1(C)CC(=O)C2=C(C1)NC(=O)C[C@@H]2c1ccc(F)c(Br)c1 ZINC000004912453 570613717 /nfs/dbraw/zinc/61/37/17/570613717.db2.gz NMVJTZIHYXNANJ-SNVBAGLBSA-N 0 0 366.230 3.835 50 30 FHEARN COc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1 ZINC000004915495 570614127 /nfs/dbraw/zinc/61/41/27/570614127.db2.gz YVQQDLFGTUXOPL-MAUKXSAKSA-N 0 0 365.404 3.839 50 30 FHEARN C[C@@H]1/C(=N\O)C[C@H](c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000137171541 570624866 /nfs/dbraw/zinc/62/48/66/570624866.db2.gz LFGUOKSONBHVJF-IKAAQNAXSA-N 0 0 370.365 3.745 50 30 FHEARN Cc1nc(SCC(=O)N2c3ccccc3C[C@@H]2C)c(C#N)c(C)c1C ZINC000005172612 570628146 /nfs/dbraw/zinc/62/81/46/570628146.db2.gz PBCMCZXPCNEDDB-LBPRGKRZSA-N 0 0 351.475 3.948 50 30 FHEARN Cc1nc(SCC(=O)N2CCCc3ccccc32)c(C#N)c(C)c1C ZINC000005172624 570628190 /nfs/dbraw/zinc/62/81/90/570628190.db2.gz MFZRQKOTBDVCQL-UHFFFAOYSA-N 0 0 351.475 3.950 50 30 FHEARN Cc1cc(C)c(C#N)c(SCC(=O)c2cc(=O)oc3ccccc32)n1 ZINC000005174242 570628392 /nfs/dbraw/zinc/62/83/92/570628392.db2.gz OHWCMMSNMUXSSQ-UHFFFAOYSA-N 0 0 350.399 3.652 50 30 FHEARN Cc1ccc2[nH]c(C3=C(N)N(c4cccc(Cl)c4C)CC3=O)nc2c1 ZINC000005182820 570629914 /nfs/dbraw/zinc/62/99/14/570629914.db2.gz VTTCCDQFJDRDDT-UHFFFAOYSA-N 0 0 352.825 3.550 50 30 FHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 ZINC000005884887 570637885 /nfs/dbraw/zinc/63/78/85/570637885.db2.gz CZQWEUMOSBFRBV-KRWDZBQOSA-N 0 0 371.820 3.565 50 30 FHEARN Cc1ccc(C=NN2C(=S)N=NC2c2ccccc2Br)o1 ZINC000006054784 570640506 /nfs/dbraw/zinc/64/05/06/570640506.db2.gz GGGHRTDKBZESHZ-LZYBPNLTSA-N 0 0 363.240 3.780 50 30 FHEARN Cc1cccc([C@H]2C3C(=O)C[C@@H](c4ccccc4O)CC3=Nc3ncnn32)c1 ZINC000005270447 570645394 /nfs/dbraw/zinc/64/53/94/570645394.db2.gz OTDNNQDPFNZFTC-BTYIYWSLSA-N 0 0 372.428 3.708 50 30 FHEARN Cc1c(C)n(Cc2ccco2)c(NC(=O)COc2ccccc2C#N)c1C#N ZINC000005273371 570645430 /nfs/dbraw/zinc/64/54/30/570645430.db2.gz DTXRLHSLKMAEFZ-UHFFFAOYSA-N 0 0 374.400 3.507 50 30 FHEARN COc1cccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)c1 ZINC000005322117 570648655 /nfs/dbraw/zinc/64/86/55/570648655.db2.gz JJYHGVIIUKYWCJ-IIBYNOLFSA-N 0 0 372.428 3.702 50 30 FHEARN COc1ccccc1-c1nnc(SCC#N)n1CCc1ccccc1 ZINC000005362552 570650123 /nfs/dbraw/zinc/65/01/23/570650123.db2.gz CESXTLFJTIMIOG-UHFFFAOYSA-N 0 0 350.447 3.812 50 30 FHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000006786234 570653984 /nfs/dbraw/zinc/65/39/84/570653984.db2.gz GHGQUZNMXXTRLD-QGZVFWFLSA-N 0 0 371.820 3.565 50 30 FHEARN O=C1C[C@H](c2cccc(O)c2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 ZINC000006819562 570654821 /nfs/dbraw/zinc/65/48/21/570654821.db2.gz AQCIFOFDWHJUTD-WMLDXEAASA-N 0 0 351.377 3.536 50 30 FHEARN CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cccc(C#N)c1 ZINC000005512606 570665424 /nfs/dbraw/zinc/66/54/24/570665424.db2.gz YZMGVJOQFOMCQF-UHFFFAOYSA-N 0 0 362.216 3.576 50 30 FHEARN C=CCn1c2ccccc2nc1[C@@H](C)NC(=O)c1ccc(OC)c(OC)c1 ZINC000002721385 570666362 /nfs/dbraw/zinc/66/63/62/570666362.db2.gz YXDBITPMJHLGNN-CQSZACIVSA-N 0 0 365.433 3.731 50 30 FHEARN O=C1C[C@H](c2ccco2)CC2=Nc3ncnn3[C@H](c3cc(F)cc(F)c3)C12 ZINC000008743663 570687162 /nfs/dbraw/zinc/68/71/62/570687162.db2.gz XOMIKTJMVYGCFX-MLCYQJTMSA-N 0 0 368.343 3.565 50 30 FHEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1cccc(F)c1 ZINC000012546749 570750186 /nfs/dbraw/zinc/75/01/86/570750186.db2.gz KMSRXKKJILIEJZ-UNOMPAQXSA-N 0 0 353.393 3.863 50 30 FHEARN CN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccccc1 ZINC000004474026 570794816 /nfs/dbraw/zinc/79/48/16/570794816.db2.gz ZDXQEIPLCWLEPL-XAIYEJPOSA-N 0 0 373.865 3.930 50 30 FHEARN CCOc1cc(/C=C2/S/C(=N/c3ccccc3C)NC2=O)ccc1O ZINC000004492130 570799852 /nfs/dbraw/zinc/79/98/52/570799852.db2.gz FDCDJCPFWFUXJK-GZTJUZNOSA-N 0 0 354.431 3.991 50 30 FHEARN CCN(CC)c1ccc(/C=N/c2ccc(N3CCOCC3)cc2)c(O)c1 ZINC000004549465 570823947 /nfs/dbraw/zinc/82/39/47/570823947.db2.gz CLRYDPQDCRZBPB-CJLVFECKSA-N 0 0 353.466 3.826 50 30 FHEARN CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102401968 570831768 /nfs/dbraw/zinc/83/17/68/570831768.db2.gz UOGIPNRVRXMOEG-YWXUCKCNSA-N 0 0 350.418 3.690 50 30 FHEARN CSc1nnc(C(F)F)n1N=Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000006413084 570856785 /nfs/dbraw/zinc/85/67/85/570856785.db2.gz OZJZNIAQLRPDKZ-FBCYGCLPSA-N 0 0 368.800 3.863 50 30 FHEARN N#Cc1ccccc1N1CCCN(C(=O)c2ccc(-n3cccc3)cc2)CC1 ZINC000046849980 570875448 /nfs/dbraw/zinc/87/54/48/570875448.db2.gz CLUJTQMFCFYHBS-UHFFFAOYSA-N 0 0 370.456 3.701 50 30 FHEARN O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1n[nH]c(-c2ccccn2)n1 ZINC000047342881 570885818 /nfs/dbraw/zinc/88/58/18/570885818.db2.gz QHBYVUCCPXONDO-UHFFFAOYSA-N 0 0 361.405 3.607 50 30 FHEARN C=CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(OC)cc1 ZINC000012111603 570889907 /nfs/dbraw/zinc/88/99/07/570889907.db2.gz AMAANBREAKKFGE-IBGZPJMESA-N 0 0 361.397 3.841 50 30 FHEARN C=CCn1c2ccc(NC(=O)Nc3ccc(OC)c(F)c3)cc2oc1=O ZINC000046010726 570918729 /nfs/dbraw/zinc/91/87/29/570918729.db2.gz XPMLEGRLEHYLBO-UHFFFAOYSA-N 0 0 357.341 3.572 50 30 FHEARN Cc1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(C)cc2C)c1 ZINC000046130043 570928189 /nfs/dbraw/zinc/92/81/89/570928189.db2.gz XKXOVQQAQNLZQI-IBGZPJMESA-N 0 0 365.477 3.989 50 30 FHEARN CCc1ccccc1NC(=NC(=O)c1ccc(C)cc1)NC[C@@H]1CCCO1 ZINC000046131156 570928418 /nfs/dbraw/zinc/92/84/18/570928418.db2.gz LIHPKZAIRZIVDX-IBGZPJMESA-N 0 0 365.477 3.934 50 30 FHEARN Cc1ccc(C[C@@H](C#N)Sc2nnnn2CCc2cccs2)cc1 ZINC000048299397 570944220 /nfs/dbraw/zinc/94/42/20/570944220.db2.gz KTUCRQFLGNGKBT-INIZCTEOSA-N 0 0 355.492 3.513 50 30 FHEARN Cc1cn(-c2ccccc2)nc1NC(=O)c1ccc(N2CCCC2)c(C#N)c1 ZINC000115066967 570967949 /nfs/dbraw/zinc/96/79/49/570967949.db2.gz DDDHAKXJUUJEIU-UHFFFAOYSA-N 0 0 371.444 3.905 50 30 FHEARN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccccc2SCC#N)c1 ZINC000024397454 570975304 /nfs/dbraw/zinc/97/53/04/570975304.db2.gz NRZRQGDJWHXDQY-CYBMUJFWSA-N 0 0 356.447 3.810 50 30 FHEARN CCCCOc1ccc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)cc1 ZINC000028912706 571035495 /nfs/dbraw/zinc/03/54/95/571035495.db2.gz DHQZIWXCGYPSDR-DTQAZKPQSA-N 0 0 356.443 3.919 50 30 FHEARN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)N[C@@H]1c1ccc(C#N)cc1 ZINC000008324214 571040331 /nfs/dbraw/zinc/04/03/31/571040331.db2.gz BBPBTKNHDYZMTP-LJQANCHMSA-N 0 0 361.401 3.666 50 30 FHEARN N#C[C@H]1c2nc3ccccc3nc2N2C=CC(C(=O)c3ccccc3)=C[C@H]12 ZINC000001272730 571045986 /nfs/dbraw/zinc/04/59/86/571045986.db2.gz NJIMBDNRCFGZTG-VQIMIIECSA-N 0 0 350.381 3.762 50 30 FHEARN OCC#Cc1ccc(-c2nccn2Cc2nc3ccccc3s2)s1 ZINC000071762435 571053075 /nfs/dbraw/zinc/05/30/75/571053075.db2.gz WOTOCKLTEOAJMM-UHFFFAOYSA-N 0 0 351.456 3.613 50 30 FHEARN Cc1c(C)n(-c2ccccc2)c(NC(=O)COc2ccccc2C#N)c1C#N ZINC000008704513 571055333 /nfs/dbraw/zinc/05/53/33/571055333.db2.gz JUXWYZQRUAFAGF-UHFFFAOYSA-N 0 0 370.412 3.855 50 30 FHEARN CCn1c2ccccc2nc1SCC(=O)Nc1oc(C)c(C)c1C#N ZINC000008719709 571057460 /nfs/dbraw/zinc/05/74/60/571057460.db2.gz LAJFJKYQTYURCE-UHFFFAOYSA-N 0 0 354.435 3.869 50 30 FHEARN CN(C)N1C(=O)C[C@H](c2ccc(C(F)(F)F)cc2)C2=C1CCCC2=O ZINC000001422734 571073490 /nfs/dbraw/zinc/07/34/90/571073490.db2.gz HMMCWTZFPXAWLO-CYBMUJFWSA-N 0 0 352.356 3.505 50 30 FHEARN CN(C)N1C(=O)C[C@@H](c2c(F)cccc2Cl)C2=C1CC(C)(C)CC2=O ZINC000001422737 571073500 /nfs/dbraw/zinc/07/35/00/571073500.db2.gz DKTRTWBAOSFNPH-NSHDSACASA-N 0 0 364.848 3.915 50 30 FHEARN C[C@@H](Oc1ccccc1C#N)C(=O)OCc1csc(Br)c1 ZINC000046254747 571075009 /nfs/dbraw/zinc/07/50/09/571075009.db2.gz LDHXAXVQXPIRGM-SNVBAGLBSA-N 0 0 366.236 3.893 50 30 FHEARN CCN(Cc1ccccc1)C(=O)CCCOc1ccc(C#N)cc1OC ZINC000040107367 571077984 /nfs/dbraw/zinc/07/79/84/571077984.db2.gz 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/nfs/dbraw/zinc/09/94/29/571099429.db2.gz ZLJWNOJMSIOCOE-GFCCVEGCSA-N 0 0 355.301 3.939 50 30 FHEARN CC(C)(C)c1ccc(-c2nnc(CSc3ncc(C#N)c(N)n3)o2)cc1 ZINC000009221103 571101598 /nfs/dbraw/zinc/10/15/98/571101598.db2.gz KQZQCUAYWKKOHJ-UHFFFAOYSA-N 0 0 366.450 3.570 50 30 FHEARN C=CCn1c2nc3ccccc3nc2c2c1ncn(Cc1ccccc1)c2=O ZINC000004840373 571102425 /nfs/dbraw/zinc/10/24/25/571102425.db2.gz RPINHDRSLXQXEW-UHFFFAOYSA-N 0 0 367.412 3.529 50 30 FHEARN C#CCOc1ccc([C@@H]2CC(=O)Nc3n[nH]c(-c4ccccc4)c32)cc1OC ZINC000004944158 571102453 /nfs/dbraw/zinc/10/24/53/571102453.db2.gz CYNOINIFCIZBFS-INIZCTEOSA-N 0 0 373.412 3.571 50 30 FHEARN COc1ccc(CCn2c(N)c(C#N)c3c(c2=S)CCCC3)cc1OC ZINC000009305376 571103741 /nfs/dbraw/zinc/10/37/41/571103741.db2.gz IOZZTPKRVJQXIP-UHFFFAOYSA-N 0 0 369.490 3.810 50 30 FHEARN C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1cccc(C)c1 ZINC000007720192 571104612 /nfs/dbraw/zinc/10/46/12/571104612.db2.gz ZABFNLNPEFQWGM-UHFFFAOYSA-N 0 0 363.417 3.882 50 30 FHEARN COc1cc(C#N)ccc1OCC(=O)N[C@H](C)c1ccc2ccccc2c1 ZINC000009437831 571109443 /nfs/dbraw/zinc/10/94/43/571109443.db2.gz NMEDVJZVEYDNDR-OAHLLOKOSA-N 0 0 360.413 3.976 50 30 FHEARN C=CCn1c(S[C@H](C(=O)OC)c2ccccc2)nc2ccsc2c1=O ZINC000009450663 571109765 /nfs/dbraw/zinc/10/97/65/571109765.db2.gz RSMGIRJMKCGHGR-AWEZNQCLSA-N 0 0 372.471 3.650 50 30 FHEARN COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)cc1 ZINC000006046484 571111765 /nfs/dbraw/zinc/11/17/65/571111765.db2.gz DFSCDWBDHULLMG-KRWDZBQOSA-N 0 0 356.809 3.859 50 30 FHEARN CCOc1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)OC)ccc3C2=O)cc1 ZINC000009575443 571113876 /nfs/dbraw/zinc/11/38/76/571113876.db2.gz PQLBODWTDKPXDH-LPXFMOJISA-N 0 0 368.385 3.642 50 30 FHEARN Cc1ccc(SCC(=O)OCC(=O)Nc2sccc2C#N)c(C)c1 ZINC000005418171 571115499 /nfs/dbraw/zinc/11/54/99/571115499.db2.gz GYYGAXOXFUGXBM-UHFFFAOYSA-N 0 0 360.460 3.511 50 30 FHEARN NC(=S)NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000006095320 571120638 /nfs/dbraw/zinc/12/06/38/571120638.db2.gz 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N#Cc1c(C#N)c(N2CCOCC2)nc2c1CCC/C2=C\c1ccccc1 ZINC000035326417 571166159 /nfs/dbraw/zinc/16/61/59/571166159.db2.gz TYWKGSAGPASHPI-GHRIWEEISA-N 0 0 356.429 3.538 50 30 FHEARN CC(C)(C)c1ccc([C@]2(C)NC(=O)N(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000005843971 571166700 /nfs/dbraw/zinc/16/67/00/571166700.db2.gz QJGAABRWIKGZIU-QFIPXVFZSA-N 0 0 361.445 3.823 50 30 FHEARN C=CCN1c2ccccc2[C@](O)([C@@H](C)C(=O)c2ccc(Cl)cc2)C1=O ZINC000004724217 571168949 /nfs/dbraw/zinc/16/89/49/571168949.db2.gz USZLSODSBDZSBN-RNODOKPDSA-N 0 0 355.821 3.579 50 30 FHEARN N#Cc1ccc(COC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000005970866 571169721 /nfs/dbraw/zinc/16/97/21/571169721.db2.gz FLQDQLIUWHRWKA-UHFFFAOYSA-N 0 0 363.417 3.546 50 30 FHEARN Cc1ccc(C)c(OCCC(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1 ZINC000006034130 571170765 /nfs/dbraw/zinc/17/07/65/571170765.db2.gz NAQYLGQIXPVLIM-INIZCTEOSA-N 0 0 366.417 3.514 50 30 FHEARN CC1CCN(C(=O)C2CCN(c3c(C#N)cnc4ccccc43)CC2)CC1 ZINC000035457440 571170881 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/nfs/dbraw/zinc/28/65/90/571286590.db2.gz LFAYQENKAXDYRV-UHFFFAOYSA-N 0 0 354.262 3.740 50 30 FHEARN COc1ccc(N=C2S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2C)cc1 ZINC000252625594 571288908 /nfs/dbraw/zinc/28/89/08/571288908.db2.gz QNJQOFPPLZJXQL-CRURURDBSA-N 0 0 368.414 3.658 50 30 FHEARN CCOc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccco2)cc1 ZINC000252628438 571289413 /nfs/dbraw/zinc/28/94/13/571289413.db2.gz SQIBNGORSCMKLB-UHFFFAOYSA-N 0 0 359.385 3.937 50 30 FHEARN COc1ccc(C(=O)ON=C2CCCc3cc(OC)c(C)cc32)cc1OC ZINC000252631710 571289838 /nfs/dbraw/zinc/28/98/38/571289838.db2.gz VMALKRJZXNUYQN-UHFFFAOYSA-N 0 0 369.417 3.918 50 30 FHEARN C[C@@H]1c2ccsc2CCN1CC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000007878539 571290481 /nfs/dbraw/zinc/29/04/81/571290481.db2.gz UCOPQYLKQMXIMT-LLVKDONJSA-N 0 0 357.504 3.728 50 30 FHEARN CCN1C(=O)C[C@H](C(=O)Nc2ccccc2)SC1=Nc1ccc(F)cc1 ZINC000252634155 571290794 /nfs/dbraw/zinc/29/07/94/571290794.db2.gz WKPPEZGMWARDKV-MRXNPFEDSA-N 0 0 371.437 3.806 50 30 FHEARN Cc1cccn2c(=O)c(C=NNc3ccccc3)c(NCc3ccco3)nc12 ZINC000252641371 571292089 /nfs/dbraw/zinc/29/20/89/571292089.db2.gz ZCYPMAQJCQUWCT-UHFFFAOYSA-N 0 0 373.416 3.654 50 30 FHEARN N#Cc1ccc(NC(=O)CN2CCC[C@H]2c2nc3ccccc3s2)cc1 ZINC000007910058 571293143 /nfs/dbraw/zinc/29/31/43/571293143.db2.gz LKQDJQKCXOTQGI-KRWDZBQOSA-N 0 0 362.458 3.944 50 30 FHEARN COc1ccc(CN2C(=O)[C@@H](C)S/C2=N\N=C\c2cccs2)cc1 ZINC000002272962 571294655 /nfs/dbraw/zinc/29/46/55/571294655.db2.gz VMIZEFCDDTUMCL-BYOFMXEESA-N 0 0 359.476 3.611 50 30 FHEARN COc1ccc(-c2cc(-c3ccc(N(C)C)cc3)nc(N)c2C#N)cc1OC ZINC000019897986 571308275 /nfs/dbraw/zinc/30/82/75/571308275.db2.gz XLZCNTIDQCQVQX-UHFFFAOYSA-N 0 0 374.444 3.953 50 30 FHEARN C=CCN1CCN(C(=O)c2ccc(-c3ccc(O)c(C)c3C)cc2)CC1 ZINC000584887945 571314141 /nfs/dbraw/zinc/31/41/41/571314141.db2.gz NVAKUHPNNLUAPX-UHFFFAOYSA-N 0 0 350.462 3.620 50 30 FHEARN C=CCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccccc2)c1=O ZINC000002302677 571317372 /nfs/dbraw/zinc/31/73/72/571317372.db2.gz BYTGJMJDEHCGKC-UHFFFAOYSA-N 0 0 367.412 3.778 50 30 FHEARN CCCCCCCCOc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1 ZINC000002343575 571318241 /nfs/dbraw/zinc/31/82/41/571318241.db2.gz UGBJDACYGRPOCQ-UHFFFAOYSA-N 0 0 372.465 3.860 50 30 FHEARN C=CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N(CCC)CCC ZINC000002357516 571319294 /nfs/dbraw/zinc/31/92/94/571319294.db2.gz VOELVNPPNDZIIU-OAHLLOKOSA-N 0 0 352.438 3.593 50 30 FHEARN Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C#N)c(Cl)c3)CC2=O)cc1C ZINC000008265563 571320159 /nfs/dbraw/zinc/32/01/59/571320159.db2.gz OCGKCBSBFIUNNO-HNNXBMFYSA-N 0 0 367.836 3.820 50 30 FHEARN N#Cc1nccnc1NCc1ccc(-n2cnc3ccccc32)cc1Cl ZINC000095452442 571329927 /nfs/dbraw/zinc/32/99/27/571329927.db2.gz NBFXLJWQAAUNJR-UHFFFAOYSA-N 0 0 360.808 3.953 50 30 FHEARN Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1nnc(CC(C)C)[nH]1 ZINC000095472355 571330730 /nfs/dbraw/zinc/33/07/30/571330730.db2.gz HQYAHMILALVSPR-UHFFFAOYSA-N 0 0 352.442 3.636 50 30 FHEARN N#CCCSc1ccccc1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000095944766 571332494 /nfs/dbraw/zinc/33/24/94/571332494.db2.gz QXFVZCKWCFWTTE-UHFFFAOYSA-N 0 0 367.352 3.652 50 30 FHEARN C=CCN(C(=O)c1cncc(I)c1)c1ccccc1 ZINC000095975710 571333243 /nfs/dbraw/zinc/33/32/43/571333243.db2.gz NXPKVKKJBIGVPA-UHFFFAOYSA-N 0 0 364.186 3.519 50 30 FHEARN C[C@@H]1CC[C@@H](OC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 ZINC000095996098 571333615 /nfs/dbraw/zinc/33/36/15/571333615.db2.gz GDIKYKHXTOMNAY-UKRRQHHQSA-N 0 0 369.421 3.754 50 30 FHEARN CCCN(C)c1ccc(/C=N/NC(=S)Nc2ccc(OC)cc2)cc1 ZINC000003036955 571343890 /nfs/dbraw/zinc/34/38/90/571343890.db2.gz UXYAOPUGGQVDQQ-XSFVSMFZSA-N 0 0 356.495 3.862 50 30 FHEARN N#Cc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 ZINC000003299289 571346879 /nfs/dbraw/zinc/34/68/79/571346879.db2.gz ZYMDXPLFADUSAV-UHFFFAOYSA-N 0 0 350.359 3.842 50 30 FHEARN Cc1cc(C)n(NC(=O)c2ccc(Oc3ccccc3)cc2)c(=O)c1C#N ZINC000003315996 571347226 /nfs/dbraw/zinc/34/72/26/571347226.db2.gz APMWDGNAPRWAHP-UHFFFAOYSA-N 0 0 359.385 3.513 50 30 FHEARN C=CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1ccccc1 ZINC000003563088 571351083 /nfs/dbraw/zinc/35/10/83/571351083.db2.gz SXRAEHYAICIIJA-RDJZCZTQSA-N 0 0 370.522 3.918 50 30 FHEARN C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1ccccc1 ZINC000003563085 571351108 /nfs/dbraw/zinc/35/11/08/571351108.db2.gz SXRAEHYAICIIJA-NVXWUHKLSA-N 0 0 370.522 3.918 50 30 FHEARN C[C@H]1CCc2c(C#N)c(NC(=O)[C@H]3COc4ccccc4O3)sc2C1 ZINC000004088490 571355068 /nfs/dbraw/zinc/35/50/68/571355068.db2.gz PMVPMAWTSPHZIM-MEDUHNTESA-N 0 0 354.431 3.523 50 30 FHEARN Cc1[nH]nc2c1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2 ZINC000004115416 571355500 /nfs/dbraw/zinc/35/55/00/571355500.db2.gz MJOKNBNGWWCBCZ-MRXNPFEDSA-N 0 0 352.394 3.827 50 30 FHEARN C=CCC(O)(CC=C)CNC(=O)c1cc(C[C@@H](C)c2ccccc2)no1 ZINC000299776530 945133439 /nfs/dbraw/zinc/13/34/39/945133439.db2.gz CNKSDNJOFZTXRB-MRXNPFEDSA-N 0 0 354.450 3.634 50 30 FHEARN C[C@H](C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2)n1cncn1 ZINC000079143170 938342917 /nfs/dbraw/zinc/34/29/17/938342917.db2.gz PIIAQEFWEWSHRV-NEPJUHHUSA-N 0 0 357.483 3.562 50 30 FHEARN NC(=O)c1ccc([C@H]2CCCN2C(=O)C#Cc2cccc3ccccc23)s1 ZINC000023581726 940746418 /nfs/dbraw/zinc/74/64/18/940746418.db2.gz HTTWXTWHDVSMRH-GOSISDBHSA-N 0 0 374.465 3.715 50 30 FHEARN O=C(NCCc1nnnn1-c1ccccc1)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000329126847 942253741 /nfs/dbraw/zinc/25/37/41/942253741.db2.gz YRWNOKTUSLOGPN-RYQLBKOJSA-N 0 0 353.470 3.768 50 30 FHEARN C[C@@H]1COc2ccccc2CN1C(=O)NCCc1nc2c(s1)CCCC2 ZINC000329299525 942760111 /nfs/dbraw/zinc/76/01/11/942760111.db2.gz LZWJMRPTKANACL-CQSZACIVSA-N 0 0 371.506 3.762 50 30 FHEARN CC[C@@H]1CCC[C@@H](NC(=O)NCc2ccnc(OC3CCOCC3)c2)C1 ZINC000329584339 944069472 /nfs/dbraw/zinc/06/94/72/944069472.db2.gz QULAEMIZDSUTCG-NVXWUHKLSA-N 0 0 361.486 3.612 50 30 FHEARN O=C(NCc1ccnc(OC2CCOCC2)c1)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000329802958 944288311 /nfs/dbraw/zinc/28/83/11/944288311.db2.gz KVSCONCGJWEBSI-RBUKOAKNSA-N 0 0 373.497 3.612 50 30 FHEARN CSc1nnc(-c2ccco2)n1/N=C/c1ccc(OC(F)F)cc1 ZINC000036611380 944662208 /nfs/dbraw/zinc/66/22/08/944662208.db2.gz VAVZMJBLXHOGOS-GIJQJNRQSA-N 0 0 350.350 3.744 50 30 FHEARN C=CCc1cc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc(OCC)c1O ZINC000004509024 945761958 /nfs/dbraw/zinc/76/19/58/945761958.db2.gz NBPWMXWJQGJEBJ-ZZCYQEOYSA-N 0 0 360.479 3.832 50 30 FHEARN CCN(CC)/C(=N\S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 ZINC000102965693 947540463 /nfs/dbraw/zinc/54/04/63/947540463.db2.gz RWQAZUZITNXJDO-ZPHPHTNESA-N 0 0 350.871 3.817 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(O)c1 ZINC000000635020 219307492 /nfs/dbraw/zinc/30/74/92/219307492.db2.gz IRSSDJFBLPUCMC-GOSISDBHSA-N 0 0 355.434 3.559 50 30 FHEARN CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1F ZINC000000664343 219309885 /nfs/dbraw/zinc/30/98/85/219309885.db2.gz ZYXRHOGCXSESSY-INIZCTEOSA-N 0 0 373.424 3.705 50 30 FHEARN Cc1cccc(NC(=S)N/N=C/c2cc(Br)ccc2O)c1 ZINC000000671692 219311243 /nfs/dbraw/zinc/31/12/43/219311243.db2.gz DUOBDEAFXOWDLH-RQZCQDPDSA-N 0 0 364.268 3.784 50 30 FHEARN COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Br)c1OC ZINC000000696119 219314198 /nfs/dbraw/zinc/31/41/98/219314198.db2.gz OUOJHWHWFLYEOT-UHFFFAOYSA-N 0 0 373.202 3.929 50 30 FHEARN CCOC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc2c1CCCC2 ZINC000000703376 219314536 /nfs/dbraw/zinc/31/45/36/219314536.db2.gz VXXZNYWBOCLEJA-UHFFFAOYSA-N 0 0 354.431 3.928 50 30 FHEARN Cc1c(Cl)cccc1N1CC(=O)C(c2nc3ccccc3s2)=C1N ZINC000000791097 219321780 /nfs/dbraw/zinc/32/17/80/219321780.db2.gz UVCCVZNQYBZPOI-UHFFFAOYSA-N 0 0 355.850 3.975 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(Nc2ccc(OC)cc2)C[C@@H]1c1ccccc1 ZINC000000758162 219319559 /nfs/dbraw/zinc/31/95/59/219319559.db2.gz DDVRWGYUIYXVRS-TZIWHRDSSA-N 0 0 365.429 3.927 50 30 FHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccncc2)o1 ZINC000000796005 219322910 /nfs/dbraw/zinc/32/29/10/219322910.db2.gz RPISMGVUDATWHP-IBGZPJMESA-N 0 0 374.396 3.762 50 30 FHEARN CCCC(=O)C1=C(Nc2ccccc2C)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000000805836 219323736 /nfs/dbraw/zinc/32/37/36/219323736.db2.gz MBEZIZKGGBBAJC-GOSISDBHSA-N 0 0 357.450 3.818 50 30 FHEARN COc1ccc([C@@H]2N=C(c3ccccc3)C(C)(C)N2OC(C)=O)cc1OC ZINC000000863138 219332764 /nfs/dbraw/zinc/33/27/64/219332764.db2.gz ACOUXTNDPMCMPL-HXUWFJFHSA-N 0 0 368.433 3.764 50 30 FHEARN Cc1cc(C)nc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)n1 ZINC000000873395 219333789 /nfs/dbraw/zinc/33/37/89/219333789.db2.gz KGHJEBZTSROLKA-SNVBAGLBSA-N 0 0 372.519 3.882 50 30 FHEARN CC1(C)CC(=O)C2C(=Nc3ncnn3[C@H]2c2cccc(Br)c2)C1 ZINC000000950987 219345292 /nfs/dbraw/zinc/34/52/92/219345292.db2.gz JSDOIEUVUDPTFA-HNNXBMFYSA-N 0 0 373.254 3.699 50 30 FHEARN COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc(C)o1 ZINC000000974265 219349200 /nfs/dbraw/zinc/34/92/00/219349200.db2.gz PWJCHSLZWDNADW-AHYKXKOGSA-N 0 0 366.417 3.819 50 30 FHEARN COc1ccc(-c2c3c(C)nn(-c4ccccc4)c3[nH]c(=O)c2C#N)cc1 ZINC000001033719 219354642 /nfs/dbraw/zinc/35/46/42/219354642.db2.gz AHPGYQBGCKKBLD-UHFFFAOYSA-N 0 0 356.385 3.570 50 30 FHEARN O=C(/C=C/S(=O)(=O)c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000001038990 219356579 /nfs/dbraw/zinc/35/65/79/219356579.db2.gz CBHAXJVJSBISQK-MDZDMXLPSA-N 0 0 369.211 3.759 50 30 FHEARN CN(C)N1C(=O)C[C@@H](c2cccc(Cl)c2Cl)C2=C1CCCC2=O ZINC000001422733 219405362 /nfs/dbraw/zinc/40/53/62/219405362.db2.gz FVZWOCJFKWGCJQ-NSHDSACASA-N 0 0 353.249 3.793 50 30 FHEARN Cc1nc2sc3c(c2c(=O)n1C(=S)/N=C/c1ccccc1)CCCC3 ZINC000002597831 219451208 /nfs/dbraw/zinc/45/12/08/219451208.db2.gz RYXDPZRKAWKXRH-RGVLZGJSSA-N 0 0 367.499 3.897 50 30 FHEARN CCOc1ccc2nc(NC(=O)COc3ccccc3C#N)sc2c1 ZINC000002653102 219455860 /nfs/dbraw/zinc/45/58/60/219455860.db2.gz IMWPBXVSFPHDCL-UHFFFAOYSA-N 0 0 353.403 3.584 50 30 FHEARN COCCn1c(C)cc(C(=O)CSc2nc(C)cc(C)c2C#N)c1C ZINC000002846077 219469090 /nfs/dbraw/zinc/46/90/90/219469090.db2.gz ZITWEKFFTFKPCB-UHFFFAOYSA-N 0 0 357.479 3.610 50 30 FHEARN CCCC/N=C(\C(=O)Nc1ccccc1OC)c1ccccc1NC(C)=O ZINC000002950741 219477454 /nfs/dbraw/zinc/47/74/54/219477454.db2.gz BAHRSJSMACUGGQ-XDOYNYLZSA-N 0 0 367.449 3.882 50 30 FHEARN C[S@](=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C#N ZINC000003104743 219486688 /nfs/dbraw/zinc/48/66/88/219486688.db2.gz SADQDTDNTVDYGZ-JOCHJYFZSA-N 0 0 353.230 3.855 50 30 FHEARN N#Cc1cccc(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)c1 ZINC000003330268 219501231 /nfs/dbraw/zinc/50/12/31/219501231.db2.gz NBEODIUPLWKZBK-UHFFFAOYSA-N 0 0 370.408 3.872 50 30 FHEARN N#Cc1c2nc(-c3ccccc3F)nn2ccc1-c1ccc2c(c1)OCO2 ZINC000004050942 219537464 /nfs/dbraw/zinc/53/74/64/219537464.db2.gz JSDWTPGYBBQJGO-UHFFFAOYSA-N 0 0 358.332 3.803 50 30 FHEARN N#C[C@@H]1C2=C(CCCC2)S[C@@H]1NC(=O)c1cc2ccccc2oc1=O ZINC000004079221 219539584 /nfs/dbraw/zinc/53/95/84/219539584.db2.gz NHNDVSRWNTYPBW-KDOFPFPSSA-N 0 0 352.415 3.564 50 30 FHEARN CCCCOc1ccc(C2=NC(=CNc3ccccc3C#N)C(=O)O2)cc1 ZINC000004590671 219589874 /nfs/dbraw/zinc/58/98/74/219589874.db2.gz KYBDAPXRFOWICU-RGEXLXHISA-N 0 0 361.401 3.994 50 30 FHEARN COc1ccc(C[C@H]2S/C(=N/N=C/c3ccccc3Cl)NC2=O)cc1 ZINC000004888919 219620581 /nfs/dbraw/zinc/62/05/81/219620581.db2.gz LTNGHDBUBYMIGN-MBTVCVBTSA-N 0 0 373.865 3.513 50 30 FHEARN C=CCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OCC)cc1)C2 ZINC000004911998 219624226 /nfs/dbraw/zinc/62/42/26/219624226.db2.gz KYYTVAWZNKHZGX-OAHLLOKOSA-N 0 0 353.418 3.977 50 30 FHEARN Cc1nc2c3c(ncn2n1)OC1=C(C(=O)CC(C)(C)C1)[C@@H]3c1ccc(C)cc1 ZINC000005345394 219672547 /nfs/dbraw/zinc/67/25/47/219672547.db2.gz QUEYDGFCGDVCKR-KRWDZBQOSA-N 0 0 374.444 3.909 50 30 FHEARN C[C@@H]1C[C@@H](C)CN(/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)C1 ZINC000005524597 219686668 /nfs/dbraw/zinc/68/66/68/219686668.db2.gz NKEGAOUJCUCSFW-XTPAXOCXSA-N 0 0 356.491 3.800 50 30 FHEARN CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 ZINC000005785147 219698679 /nfs/dbraw/zinc/69/86/79/219698679.db2.gz NZIRHXYSBULUOW-MRXNPFEDSA-N 0 0 371.780 3.759 50 30 FHEARN C[C@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1cccc(C#N)c1 ZINC000006436822 219731662 /nfs/dbraw/zinc/73/16/62/219731662.db2.gz MUTGEXRGIAWFEU-ZDUSSCGKSA-N 0 0 354.431 3.839 50 30 FHEARN CC(=O)C1=NN(c2ccc(C)cc2)[C@@]2(S1)SC(C(C)=O)=C(C)N2C ZINC000006809964 219772816 /nfs/dbraw/zinc/77/28/16/219772816.db2.gz RMGFECJSHLGYSP-QGZVFWFLSA-N 0 0 361.492 3.561 50 30 FHEARN CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Oc1ccc(Br)cc1Cl ZINC000007191721 219794989 /nfs/dbraw/zinc/79/49/89/219794989.db2.gz HRTNNRCRFWPCRM-BONVTDFDSA-N 0 0 373.678 3.924 50 30 FHEARN COc1ccc(/C=C/c2nc(C#N)c(N3CCC(C)CC3)o2)cc1OC ZINC000007260666 219798158 /nfs/dbraw/zinc/79/81/58/219798158.db2.gz DVZOZVCZNSSHCW-FNORWQNLSA-N 0 0 353.422 3.970 50 30 FHEARN CCCc1cc(NC(=O)COc2ccccc2C#N)n(-c2ccccc2)n1 ZINC000007718917 219819451 /nfs/dbraw/zinc/81/94/51/219819451.db2.gz LKHIJWZOVJMYDA-UHFFFAOYSA-N 0 0 360.417 3.714 50 30 FHEARN N#Cc1nc(-c2cccs2)oc1S(=O)(=O)Cc1ccc(Cl)cc1 ZINC000334161610 223131848 /nfs/dbraw/zinc/13/18/48/223131848.db2.gz CUVJPKHIROCIHO-UHFFFAOYSA-N 0 0 364.835 3.902 50 30 FHEARN NC1=C(c2nc3ccccc3[nH]2)C(=O)[C@H](c2ccccc2)N1Cc1ccco1 ZINC000012550375 220006571 /nfs/dbraw/zinc/00/65/71/220006571.db2.gz MJBOQXPRAXCXOI-IBGZPJMESA-N 0 0 370.412 3.609 50 30 FHEARN CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccccc1C#N)O[C@H](C)C2 ZINC000012564483 220007945 /nfs/dbraw/zinc/00/79/45/220007945.db2.gz TYPJKPDEERSABD-ZIAGYGMSSA-N 0 0 365.433 3.719 50 30 FHEARN C/C(=N/N=C1/NC(=O)[C@H](Cc2ccccc2)S1)c1ccc(Cl)cc1 ZINC000012843849 220034354 /nfs/dbraw/zinc/03/43/54/220034354.db2.gz GVZQMKQFOPTAKT-IXGURIBZSA-N 0 0 357.866 3.894 50 30 FHEARN N#Cc1ccc(Cl)cc1NC(=O)CN1CCC(c2ccc(O)cc2)CC1 ZINC000012787122 220029060 /nfs/dbraw/zinc/02/90/60/220029060.db2.gz DXLXPUNTCCYFOT-UHFFFAOYSA-N 0 0 369.852 3.735 50 30 FHEARN N#Cc1ncn(CC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)n1 ZINC000012791879 220030066 /nfs/dbraw/zinc/03/00/66/220030066.db2.gz VZKKHGMZKXYEMY-UHFFFAOYSA-N 0 0 369.837 3.593 50 30 FHEARN CCOC(=O)c1sc(NC(=O)[C@H](C)Oc2cccc(C)c2)c(C#N)c1C ZINC000012807453 220032612 /nfs/dbraw/zinc/03/26/12/220032612.db2.gz MDSISSCWPSLZJU-ZDUSSCGKSA-N 0 0 372.446 3.819 50 30 FHEARN C[C@@H](c1ccc(F)cc1)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000012898429 220040355 /nfs/dbraw/zinc/04/03/55/220040355.db2.gz OZAFSOLWGPAMLX-AWEZNQCLSA-N 0 0 366.396 3.829 50 30 FHEARN N#Cc1ccc(COC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c(F)c1 ZINC000012906713 220041257 /nfs/dbraw/zinc/04/12/57/220041257.db2.gz DBZPMFZVTCIYNQ-GOSISDBHSA-N 0 0 355.365 3.612 50 30 FHEARN N#Cc1cccc(S(=O)(=O)N[C@H]2CCSc3ccc(Cl)cc32)c1 ZINC000012902001 220041333 /nfs/dbraw/zinc/04/13/33/220041333.db2.gz DGTAGJUBVMXECF-HNNXBMFYSA-N 0 0 364.879 3.727 50 30 FHEARN N#Cc1ccc(CN2CCCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 ZINC000012935034 220045711 /nfs/dbraw/zinc/04/57/11/220045711.db2.gz HSMHVTUMIMDKCI-UHFFFAOYSA-N 0 0 371.843 3.699 50 30 FHEARN CC(=O)C1C(C)=Nc2ncnn2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000013132252 220058907 /nfs/dbraw/zinc/05/89/07/220058907.db2.gz AEHRBTXSWXTXRN-FQEVSTJZSA-N 0 0 360.417 3.735 50 30 aggregator FHEARN CC(=O)Nc1ccc(C2=NN(C)/C(=N\Cc3ccccc3)SC2)cc1 ZINC000013133599 220059350 /nfs/dbraw/zinc/05/93/50/220059350.db2.gz 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50 30 FHEARN Cc1ccc([N+](=O)[O-])cc1/N=C1/C(=O)Nc2ccc(Br)cc21 ZINC000016698678 220190700 /nfs/dbraw/zinc/19/07/00/220190700.db2.gz RIQGJJCZHYOLSE-UHFFFAOYSA-N 0 0 360.167 3.739 50 30 FHEARN CN(C)c1ccc(/C=C2\C(=O)C(=O)c3ccccc32)cc1Br ZINC000016667813 220190944 /nfs/dbraw/zinc/19/09/44/220190944.db2.gz PDICWBKEPHQKDP-ZROIWOOFSA-N 0 0 356.219 3.821 50 30 FHEARN N#Cc1c2c(sc1NC(=O)c1ccc3c(c1)OCCCO3)CCCC2 ZINC000016789820 220194212 /nfs/dbraw/zinc/19/42/12/220194212.db2.gz HVXJDIFYHXVIOI-UHFFFAOYSA-N 0 0 354.431 3.912 50 30 FHEARN CCOC(=O)COc1nnc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000017172995 220209464 /nfs/dbraw/zinc/20/94/64/220209464.db2.gz FVEOPXFSVBUXRL-UHFFFAOYSA-N 0 0 359.385 3.624 50 30 FHEARN C=CCn1c(SCC(=O)OC)nnc1-c1csc2c1CC[C@@H](C)C2 ZINC000017074806 220204098 /nfs/dbraw/zinc/20/40/98/220204098.db2.gz HNEJGTZTOIYDFU-LLVKDONJSA-N 0 0 363.508 3.583 50 30 FHEARN C=CCN1C(=O)c2ccccc2N[C@H]1c1cc2c(cc1OC)C[C@H](C)O2 ZINC000018054443 220222097 /nfs/dbraw/zinc/22/20/97/220222097.db2.gz 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COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000019774987 220297295 /nfs/dbraw/zinc/29/72/95/220297295.db2.gz IPWHHNNOQBYLTR-KRWDZBQOSA-N 0 0 361.388 3.742 50 30 FHEARN Cc1ccc(CN2CCN(/N=C/c3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 ZINC000019826041 220301811 /nfs/dbraw/zinc/30/18/11/220301811.db2.gz IJGDMKKJKYZMNX-FYJGNVAPSA-N 0 0 372.856 3.708 50 30 FHEARN CCOc1ccc(C(=O)c2sc3nc(N)c(C#N)c(CC)c3c2N)cc1 ZINC000019867576 220304115 /nfs/dbraw/zinc/30/41/15/220304115.db2.gz YUDWIDODWSXINW-UHFFFAOYSA-N 0 0 366.446 3.524 50 30 FHEARN N#Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1 ZINC000022277352 220381785 /nfs/dbraw/zinc/38/17/85/220381785.db2.gz ZFJNSWWVYCZQGE-NRFANRHFSA-N 0 0 362.454 3.821 50 30 FHEARN C[C@@H]1CC(=O)C2C(=Nc3nc(C(F)(F)F)nn3[C@@H]2c2ccc(F)cc2)C1 ZINC000022608135 220391446 /nfs/dbraw/zinc/39/14/46/220391446.db2.gz MCBZHYOYHUADHG-RMLUDKJBSA-N 0 0 366.318 3.704 50 30 FHEARN CC(C)c1nc(C#N)c(NC[C@@H](c2ccccc2Cl)N2CCOCC2)o1 ZINC000027794173 220548599 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COC(=O)c1cccc(C#Cc2cccc(NC(=O)CC(F)(F)F)c2)c1 ZINC000058003772 221096939 /nfs/dbraw/zinc/09/69/39/221096939.db2.gz ZESYUPFQIOSXCI-UHFFFAOYSA-N 0 0 361.319 3.764 50 30 FHEARN Cn1cccc1-c1csc(NC(=O)CSCc2ccc(C#N)cc2)n1 ZINC000058084881 221098611 /nfs/dbraw/zinc/09/86/11/221098611.db2.gz HTPBNCQEBNEZOQ-UHFFFAOYSA-N 0 0 368.487 3.892 50 30 FHEARN Cc1noc(C)c1-c1ccc(C)c(S(=O)(=O)Nc2ccc(C#N)cc2)c1 ZINC000064837545 221153526 /nfs/dbraw/zinc/15/35/26/221153526.db2.gz YOIBOPSWEBUTRL-UHFFFAOYSA-N 0 0 367.430 3.939 50 30 FHEARN CN(CCc1noc(-c2ccc(Cl)cc2)n1)C(=O)c1ccc(C#N)cc1 ZINC000064841047 221153841 /nfs/dbraw/zinc/15/38/41/221153841.db2.gz SVZGCJMEEZCYJZ-UHFFFAOYSA-N 0 0 366.808 3.576 50 30 FHEARN COc1ccc(C)cc1-n1ccc(C(=O)Nc2ccc(Cl)c(C#N)c2)n1 ZINC000065540691 221232921 /nfs/dbraw/zinc/23/29/21/221232921.db2.gz BZKUOPDVUVWFIJ-UHFFFAOYSA-N 0 0 366.808 3.967 50 30 FHEARN N#Cc1c(N)oc2c1cc1oc(N)c(C#N)c1c2-c1cccc([N+](=O)[O-])c1 ZINC000067300098 221252247 /nfs/dbraw/zinc/25/22/47/221252247.db2.gz 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Cc1[nH]c2c(cccc2CN2CCN(c3ccc(C#N)cc3)C(=O)C2)c1C ZINC000082106550 132195001 /nfs/dbraw/zinc/19/50/01/132195001.db2.gz YBQMGVBEFMXRIS-UHFFFAOYSA-N 0 0 358.445 3.505 50 30 FHEARN C=CCN1CCN(C(=O)Nc2ccc(Br)cc2)c2cccnc21 ZINC000064929544 132305359 /nfs/dbraw/zinc/30/53/59/132305359.db2.gz WSZMFRWVXZPAOS-UHFFFAOYSA-N 0 0 373.254 3.889 50 30 FHEARN C=CCN1C(=O)COc2ccc(NC(=O)c3ccc(OC)c(Cl)c3)cc21 ZINC000032593405 132374346 /nfs/dbraw/zinc/37/43/46/132374346.db2.gz VZALNMZCTKZUKK-UHFFFAOYSA-N 0 0 372.808 3.512 50 30 FHEARN C=CCN1c2ccc(C(=O)N[C@@H](C)CC)cc2-c2ccccc2S1(=O)=O ZINC000033271870 132374357 /nfs/dbraw/zinc/37/43/57/132374357.db2.gz ZCNZNMISCQFWHE-AWEZNQCLSA-N 0 0 370.474 3.577 50 30 FHEARN C=CCc1cccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)c1O ZINC000001740198 132382366 /nfs/dbraw/zinc/38/23/66/132382366.db2.gz WMGAHAOMVSWLES-PXLXIMEGSA-N 0 0 355.869 3.930 50 30 FHEARN Cc1c(-c2cc(-c3ccc(N4CCCCC4)cc3)nc(N)c2C#N)cnn1C ZINC000071753025 136140380 /nfs/dbraw/zinc/14/03/80/136140380.db2.gz 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ZINC000095686748 221971042 /nfs/dbraw/zinc/97/10/42/221971042.db2.gz XWUCZFQCEXJBEO-UHFFFAOYSA-N 0 0 352.456 3.879 50 30 FHEARN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C\c2ccc(O)c(OCC)c2)c1C ZINC000096843722 222135324 /nfs/dbraw/zinc/13/53/24/222135324.db2.gz BXTOUXDJVOFITF-NTMALXAHSA-N 0 0 357.406 3.809 50 30 FHEARN CCOC(=O)c1[nH]c(C)c(C(=O)/C=C\c2cccc(OC)c2OC)c1C ZINC000096843710 222135659 /nfs/dbraw/zinc/13/56/59/222135659.db2.gz HHSIFVUDPNSEOF-KHPPLWFESA-N 0 0 357.406 3.722 50 30 FHEARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)/C=C\c2ccccc2C#N)c1 ZINC000096930917 222142914 /nfs/dbraw/zinc/14/29/14/222142914.db2.gz SRCPVOHSYLLFLS-DBBZSVRUSA-N 0 0 362.429 3.952 50 30 FHEARN CCOc1c(Br)cc(/C=C2/Cn3cccc3C2=O)cc1OC ZINC000096941987 222145450 /nfs/dbraw/zinc/14/54/50/222145450.db2.gz JTOVXEHMPWZGBA-GHXNOFRVSA-N 0 0 362.223 3.938 50 30 FHEARN COc1cc(/C=C2/COc3ccc(Br)cc3C2=O)ccc1O ZINC000096973226 222147052 /nfs/dbraw/zinc/14/70/52/222147052.db2.gz MNQLTPIUNOJQSF-WDZFZDKYSA-N 0 0 361.191 3.822 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)cc2OC)C[C@@H]1c1ccco1 ZINC000097104980 222160128 /nfs/dbraw/zinc/16/01/28/222160128.db2.gz KUNIDKNJJNODQH-UZLBHIALSA-N 0 0 370.401 3.616 50 30 FHEARN COc1ccc(/N=C2/S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2C)cc1 ZINC000097466876 222183284 /nfs/dbraw/zinc/18/32/84/222183284.db2.gz QNJQOFPPLZJXQL-XFGDDMJQSA-N 0 0 368.414 3.658 50 30 FHEARN C=CCOc1ccc([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1 ZINC000100207524 222238733 /nfs/dbraw/zinc/23/87/33/222238733.db2.gz LPHPEIFPJKJRKM-KRWDZBQOSA-N 0 0 360.365 3.615 50 30 FHEARN CCCC(=O)C1=C(Nc2ccc(OC)cc2)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000100319280 222241489 /nfs/dbraw/zinc/24/14/89/222241489.db2.gz DNFKBYCAPZYEPB-SFHVURJKSA-N 0 0 373.449 3.519 50 30 FHEARN CCCC(=O)C1=C(Nc2ccc(C)cc2)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000100319523 222241848 /nfs/dbraw/zinc/24/18/48/222241848.db2.gz GRUWUNXUKKHSRB-SFHVURJKSA-N 0 0 357.450 3.818 50 30 FHEARN NC(=O)COc1ccccc1/C=N/c1ccc(NC(=O)c2ccccc2)cc1 ZINC000100384240 222242907 /nfs/dbraw/zinc/24/29/07/222242907.db2.gz XGSJIDJKJNGSRB-ZVHZXABRSA-N 0 0 373.412 3.554 50 30 FHEARN C#CCOc1ccc2ccccc2c1/C=N/S(=O)(=O)c1ccc(C)cc1 ZINC000100387354 222243483 /nfs/dbraw/zinc/24/34/83/222243483.db2.gz YXHUOJYFSLZDSP-PXLXIMEGSA-N 0 0 363.438 3.968 50 30 FHEARN N=C1NC(N=Nc2nc(-c3ccc(Cl)cc3)cs2)c2ccccc21 ZINC000100431895 222243620 /nfs/dbraw/zinc/24/36/20/222243620.db2.gz OLVORKOOPWSYGY-UHFFFAOYSA-N 0 0 353.838 3.956 50 30 FHEARN Cc1c(/N=C/c2cccc(Br)c2)c(=O)n(-c2ccccc2)n1C ZINC000100511423 222247149 /nfs/dbraw/zinc/24/71/49/222247149.db2.gz IGBVZLSWRKDHPA-UDWIEESQSA-N 0 0 370.250 3.998 50 30 FHEARN C=CCSc1nc2n(n1)[C@H](c1ccc(O)cc1)C1C(=O)CCCC1=N2 ZINC000101324173 222269770 /nfs/dbraw/zinc/26/97/70/222269770.db2.gz TVZCJKOPJQLVLI-MRXNPFEDSA-N 0 0 354.435 3.933 50 30 FHEARN Cc1cccc(C)c1-n1nnnc1C(C)(C)/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000101941001 222286609 /nfs/dbraw/zinc/28/66/09/222286609.db2.gz PLSKTRVBXXUSOT-UDWIEESQSA-N 0 0 364.409 3.542 50 30 FHEARN CC1=CC(=O)C(=C2C[C@H](c3ccccc3O)Nc3ccccc3N2)C(=O)O1 ZINC000102442720 222296174 /nfs/dbraw/zinc/29/61/74/222296174.db2.gz XDOYWLNHXJEQNF-HNOLQLOCSA-N 0 0 362.385 3.645 50 30 FHEARN C#CCn1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c2ccccc21 ZINC000000661939 263141249 /nfs/dbraw/zinc/14/12/49/263141249.db2.gz AQGDRDJVBOFVAW-XDHOZWIPSA-N 0 0 373.387 3.507 50 30 FHEARN N#Cc1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1 ZINC000000676794 263141778 /nfs/dbraw/zinc/14/17/78/263141778.db2.gz XBDUHCGMWNLHGJ-UHFFFAOYSA-N 0 0 365.614 3.992 50 30 FHEARN CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2ccco2)C1=O ZINC000004614290 263335263 /nfs/dbraw/zinc/33/52/63/263335263.db2.gz MTGNMBMSVBMHQA-PTNGSMBKSA-N 0 0 371.414 3.832 50 30 FHEARN CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Br)cc2)NC(=O)N1 ZINC000004680489 263335689 /nfs/dbraw/zinc/33/56/89/263335689.db2.gz BXRIRJLDXLHQBQ-MRXNPFEDSA-N 0 0 371.234 3.960 50 30 FHEARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccccc1F)C2=O ZINC000005195395 263339171 /nfs/dbraw/zinc/33/91/71/263339171.db2.gz 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/nfs/dbraw/zinc/38/48/60/263384860.db2.gz ZKORXDZCDQMMKX-UHFFFAOYSA-N 0 0 373.507 3.620 50 30 FHEARN C#CCNC(=O)[C@@H](C)Sc1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000022367813 263386167 /nfs/dbraw/zinc/38/61/67/263386167.db2.gz FVHBOGDGSNHLNU-LLVKDONJSA-N 0 0 371.462 3.727 50 30 FHEARN N#CCOc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 ZINC000023150410 263386755 /nfs/dbraw/zinc/38/67/55/263386755.db2.gz PJWQTWVIFKOKET-UHFFFAOYSA-N 0 0 351.189 3.913 50 30 FHEARN Cn1ccnc1SCC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1 ZINC000026015557 263389351 /nfs/dbraw/zinc/38/93/51/263389351.db2.gz VENYXLORJVRWTF-CYBMUJFWSA-N 0 0 354.460 3.512 50 30 FHEARN COc1cc(CN=Nc2nc(-c3ccccc3)cs2)cc(OC)c1O ZINC000031854365 263392290 /nfs/dbraw/zinc/39/22/90/263392290.db2.gz PUBYCPGKHFMHLL-GRSHGNNSSA-N 0 0 355.419 3.979 50 30 FHEARN C=CCNC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 ZINC000033025693 263394671 /nfs/dbraw/zinc/39/46/71/263394671.db2.gz PPISRAKTYNWSHG-UHFFFAOYSA-N 0 0 364.474 3.637 50 30 FHEARN C#CCN(Cc1ccc(F)cc1)C(=O)Cc1csc(-c2cccnc2)n1 ZINC000058266885 518261402 /nfs/dbraw/zinc/26/14/02/518261402.db2.gz FANPVDZEPUYTQA-UHFFFAOYSA-N 0 0 365.433 3.549 50 30 FHEARN C#CCn1c2c(cccc2Cl)s/c1=N\C(=O)c1ccccc1[N+](=O)[O-] ZINC000100910336 518340500 /nfs/dbraw/zinc/34/05/00/518340500.db2.gz HBWDCWJBBZOENW-ZPHPHTNESA-N 0 0 371.805 3.639 50 30 FHEARN C#CCn1c2c(cccc2Cl)s/c1=N\C(=O)c1cccc(OC)c1 ZINC000100909905 518340560 /nfs/dbraw/zinc/34/05/60/518340560.db2.gz KYSZHFHXQOAVAI-ZZEZOPTASA-N 0 0 356.834 3.739 50 30 FHEARN C#CCn1c2c(cccc2OC)s/c1=N\C(=O)c1ccccc1Cl ZINC000100909839 518340687 /nfs/dbraw/zinc/34/06/87/518340687.db2.gz QAIWTEUIQPMZEA-ZZEZOPTASA-N 0 0 356.834 3.739 50 30 FHEARN C=C(C)CN(C)C(=O)c1cc(COc2ccc(Cl)cc2OC)on1 ZINC000067788410 518589272 /nfs/dbraw/zinc/58/92/72/518589272.db2.gz PVRZQPJUDSQEGT-UHFFFAOYSA-N 0 0 350.802 3.564 50 30 FHEARN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000225622985 518647687 /nfs/dbraw/zinc/64/76/87/518647687.db2.gz SINULQWKAWXNTC-UYAOXDASSA-N 0 0 371.456 3.588 50 30 FHEARN C=CCNC(=O)Cc1ccc(N(Cc2ccc(F)cc2)C(=O)CC)cc1 ZINC000037557214 518900978 /nfs/dbraw/zinc/90/09/78/518900978.db2.gz SYDNDDWOTSECJM-UHFFFAOYSA-N 0 0 354.425 3.614 50 30 FHEARN C=CCNC(=O)NCC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC000012523210 518908164 /nfs/dbraw/zinc/90/81/64/518908164.db2.gz QFPWHXPLFPVCQW-UHFFFAOYSA-N 0 0 353.466 3.885 50 30 FHEARN C=CCNC(=O)c1sc2ncnc(NCCc3ccccc3)c2c1C ZINC000012160259 518947299 /nfs/dbraw/zinc/94/72/99/518947299.db2.gz UFHJIWWPOAMXTL-UHFFFAOYSA-N 0 0 352.463 3.570 50 30 FHEARN C=CCNc1nnc(SCC(=O)N2CCC[C@@H]2c2cccs2)s1 ZINC000009450393 518966250 /nfs/dbraw/zinc/96/62/50/518966250.db2.gz OYWWSCRCVMZVQB-LLVKDONJSA-N 0 0 366.537 3.653 50 30 FHEARN C=CCNc1nnc(SCC(=O)c2ccc(Br)cc2)s1 ZINC000005785717 518966719 /nfs/dbraw/zinc/96/67/19/518966719.db2.gz DYTDABATPOJSOG-UHFFFAOYSA-N 0 0 370.297 3.874 50 30 FHEARN C=CCOc1ccc(CN(C)CC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000008037790 519031914 /nfs/dbraw/zinc/03/19/14/519031914.db2.gz MCSHZTAGMQDSJV-UHFFFAOYSA-N 0 0 352.434 3.525 50 30 FHEARN C=CCS[C@H](C)C(=O)N(Cc1cccnc1)Cc1ccc2c(c1)OCO2 ZINC000055310758 519077794 /nfs/dbraw/zinc/07/77/94/519077794.db2.gz YAJCFDYNEVKQIQ-OAHLLOKOSA-N 0 0 370.474 3.647 50 30 FHEARN C=CCn1c(SCC(=O)Nc2c(C)n[nH]c2C)nnc1C1CCCCC1 ZINC000008231550 519210445 /nfs/dbraw/zinc/21/04/45/519210445.db2.gz XIVVRUZGZIBAAC-UHFFFAOYSA-N 0 0 374.514 3.583 50 30 FHEARN C=CCn1c(SCC(=O)Nc2cc(C)on2)nnc1C1CCCCC1 ZINC000003485573 519213210 /nfs/dbraw/zinc/21/32/10/519213210.db2.gz RMZLVFBDOWJDJN-UHFFFAOYSA-N 0 0 361.471 3.539 50 30 FHEARN C=CCn1c(SCC(=O)OC(C)C)nnc1-c1ccc(Cl)cc1 ZINC000005478411 519229148 /nfs/dbraw/zinc/22/91/48/519229148.db2.gz ZGKSLVBAVSCELC-UHFFFAOYSA-N 0 0 351.859 3.828 50 30 FHEARN C=CCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1cccs1 ZINC000100874909 519262967 /nfs/dbraw/zinc/26/29/67/519262967.db2.gz UVJOIPJQPIWRCD-ZPHPHTNESA-N 0 0 357.460 3.650 50 30 FHEARN CC(C)COc1nc2ccccc2nc1[C@@H](C#N)C(=O)NC1CCCCC1 ZINC000004327438 519765960 /nfs/dbraw/zinc/76/59/60/519765960.db2.gz 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CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]21C ZINC000254612785 521232033 /nfs/dbraw/zinc/23/20/33/521232033.db2.gz XPJSYVSOPZVTNB-ZVLKMEQASA-N 0 0 360.494 3.811 50 30 FHEARN CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1cccc(F)c1 ZINC000020608970 521533365 /nfs/dbraw/zinc/53/33/65/521533365.db2.gz CYUXHYXEKHKREI-VFOOBRQFSA-N 0 0 371.437 3.806 50 30 FHEARN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1cc(Cl)ccc1OC ZINC000103504719 521545858 /nfs/dbraw/zinc/54/58/58/521545858.db2.gz POPCJYQDDQCTCS-CQSZACIVSA-N 0 0 372.808 3.708 50 30 FHEARN CC[C@@H](NC(=O)c1sc(-c2ccc(F)cc2)nc1C)C(OC)OC ZINC000328596194 521801517 /nfs/dbraw/zinc/80/15/17/521801517.db2.gz WOUZJDGISQSJBN-CYBMUJFWSA-N 0 0 352.431 3.960 50 30 FHEARN COc1cc(CN=Nc2nnnn2-c2cccc3ccccc32)ccc1C ZINC000004380220 521995616 /nfs/dbraw/zinc/99/56/16/521995616.db2.gz KSXSYGJJXXCDCR-FYJGNVAPSA-N 0 0 358.405 3.579 50 30 FHEARN COc1cc(C(=O)/C=C/c2ccc3c(c2)OCCO3)ccc1OC(F)F ZINC000008156218 522049315 /nfs/dbraw/zinc/04/93/15/522049315.db2.gz UBEQYCIHLQCALN-GORDUTHDSA-N 0 0 362.328 3.964 50 30 FHEARN CO/N=C(\C[S@](=O)Cc1ccc(OC)cc1)c1ccc(Cl)cc1 ZINC000005527006 522736497 /nfs/dbraw/zinc/73/64/97/522736497.db2.gz RCMXYUDOJZCSBP-OOPWQZCMSA-N 0 0 351.855 3.648 50 30 FHEARN CO/N=C(\CSc1ccccc1Cl)c1sc2ncnn2c1C ZINC000005721877 522736827 /nfs/dbraw/zinc/73/68/27/522736827.db2.gz DMLTXXVGQNYHLL-WOJGMQOQSA-N 0 0 352.872 3.895 50 30 FHEARN COc1ccc(C(=O)O/N=C2\CCCc3c(C)c(O)ccc32)cc1OC ZINC000005101600 523770589 /nfs/dbraw/zinc/77/05/89/523770589.db2.gz SMMCZVZTUPHRLZ-LTGZKZEYSA-N 0 0 355.390 3.615 50 30 FHEARN C[C@@H](Cc1ccco1)N1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N ZINC000218518674 524925235 /nfs/dbraw/zinc/92/52/35/524925235.db2.gz RMYNHTNTNDZZBC-ZDUSSCGKSA-N 0 0 365.458 3.546 50 30 FHEARN Cc1cc(N)nc(S[C@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)n1 ZINC000096129913 525044589 /nfs/dbraw/zinc/04/45/89/525044589.db2.gz TTWIKDAERWFCGT-GPLLRDDGSA-N 0 0 368.506 3.728 50 30 FHEARN Cc1ccc(N=NC(C(=O)Oc2ccccc2)C(=O)Oc2ccccc2)cc1 ZINC000002960841 525293292 /nfs/dbraw/zinc/29/32/92/525293292.db2.gz RYMNPNQHJUGQIZ-UHFFFAOYSA-N 0 0 374.396 3.974 50 30 FHEARN COc1ccc2[nH]cc(CCNC(=S)Nc3ccc(C#N)cc3)c2c1 ZINC000020259462 525494896 /nfs/dbraw/zinc/49/48/96/525494896.db2.gz QWGKHDZCJXGJTJ-UHFFFAOYSA-N 0 0 350.447 3.577 50 30 FHEARN Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000008740945 525790478 /nfs/dbraw/zinc/79/04/78/525790478.db2.gz NVSMULMEAAKZFT-LJQANCHMSA-N 0 0 374.396 3.762 50 30 FHEARN Cc1ccsc1C=CC(=O)ONC(=N)c1ccc(C(F)(F)F)cc1 ZINC000004323999 525816569 /nfs/dbraw/zinc/81/65/69/525816569.db2.gz SPBYULIKGRUEAF-VOTSOKGWSA-N 0 0 354.353 3.952 50 30 FHEARN Cc1ccc(C2N=NC(=S)N2N=CC=Cc2ccccc2[N+](=O)[O-])cc1 ZINC000252429331 525854624 /nfs/dbraw/zinc/85/46/24/525854624.db2.gz DHOLMHFYXLBMEV-HXNRNBTNSA-N 0 0 365.418 3.998 50 30 FHEARN Cc1ccc(-c2nnc(SCC#CCOC(=O)c3ccco3)o2)cc1 ZINC000002479148 525855184 /nfs/dbraw/zinc/85/51/84/525855184.db2.gz XALAELBBPKPPOK-UHFFFAOYSA-N 0 0 354.387 3.591 50 30 FHEARN C[C@H](Oc1cccc(Cl)c1)C(=O)ONC(=N)c1ccc(Cl)cc1 ZINC000004978567 525948062 /nfs/dbraw/zinc/94/80/62/525948062.db2.gz JEAQWLPBCGTUJU-JTQLQIEISA-N 0 0 353.205 3.624 50 30 FHEARN Cc1ccc(CN=Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 ZINC000017040798 525963647 /nfs/dbraw/zinc/96/36/47/525963647.db2.gz RRXKUPRKJIDBGE-RGVLZGJSSA-N 0 0 351.431 3.758 50 30 FHEARN O=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1cccs1 ZINC000002196092 526415292 /nfs/dbraw/zinc/41/52/92/526415292.db2.gz LSWNROCMPUNETI-UHFFFAOYSA-N 0 0 356.428 3.751 50 30 FHEARN N#CC1(NC(=O)CN(Cc2ccc(C(F)(F)F)cc2)C2CC2)CCCC1 ZINC000032777453 526434509 /nfs/dbraw/zinc/43/45/09/526434509.db2.gz LVNUZZBWXUYKGL-UHFFFAOYSA-N 0 0 365.399 3.622 50 30 FHEARN N#CCC(=O)Nc1ccc(C(=O)OCc2ccc(C(F)(F)F)cc2)cc1 ZINC000016218079 526443281 /nfs/dbraw/zinc/44/32/81/526443281.db2.gz OKYNMBNJXZQQCC-UHFFFAOYSA-N 0 0 362.307 3.915 50 30 FHEARN N=C(NOC(=O)COc1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000004690689 526809104 /nfs/dbraw/zinc/80/91/04/526809104.db2.gz KXDZWABHZZYQIB-UHFFFAOYSA-N 0 0 354.793 3.736 50 30 FHEARN N=C(NOC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccccn1 ZINC000004845278 526809494 /nfs/dbraw/zinc/80/94/94/526809494.db2.gz FREOXDKIGUGACF-UHFFFAOYSA-N 0 0 368.396 3.774 50 30 FHEARN Cc1nc(N=NCc2ccccc2)nc(N(C)c2ccccc2)c1[N+](=O)[O-] ZINC000004421872 526962106 /nfs/dbraw/zinc/96/21/06/526962106.db2.gz ALXNYSQQGUBFOT-DEDYPNTBSA-N 0 0 362.393 3.907 50 30 FHEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000241383525 527004613 /nfs/dbraw/zinc/00/46/13/527004613.db2.gz MWALMTJKXYVLMQ-IXDOHACOSA-N 0 0 355.482 3.683 50 30 FHEARN COc1ccccc1N1CCN(/N=C/c2ccccc2C(F)(F)F)CC1 ZINC000000946038 537063177 /nfs/dbraw/zinc/06/31/77/537063177.db2.gz CVSOQZJYBCIMHD-OEAKJJBVSA-N 0 0 363.383 3.870 50 30 FHEARN CNC(=S)N=NCc1ccc(OCc2ccccc2Cl)c(OC)c1 ZINC000012374316 568562840 /nfs/dbraw/zinc/56/28/40/568562840.db2.gz RDGYCOCKZWVGSB-JMIUGGIZSA-N 0 0 363.870 3.767 50 30 FHEARN Cc1onc(-c2c(Cl)cccc2Cl)c1C(=N)NOC(=O)C1CC1 ZINC000095629533 570470495 /nfs/dbraw/zinc/47/04/95/570470495.db2.gz WATZCAXLVQXWBZ-UHFFFAOYSA-N 0 0 354.193 3.530 50 30 FHEARN NN=C1c2cc(Br)ccc2-c2ccc(Br)cc21 ZINC000001042008 570475436 /nfs/dbraw/zinc/47/54/36/570475436.db2.gz FMPISTNSJIPCST-UHFFFAOYSA-N 0 0 352.029 3.903 50 30 FHEARN CCOc1ccccc1NC=CC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000001151864 570484744 /nfs/dbraw/zinc/48/47/44/570484744.db2.gz FDMYDQQEFLMHSD-ZHACJKMWSA-N 0 0 357.406 3.920 50 30 FHEARN C=CCNC(=S)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000001877903 570509310 /nfs/dbraw/zinc/50/93/10/570509310.db2.gz GTHWUVQAUAWLDV-VCHYOVAHSA-N 0 0 364.268 3.693 50 30 FHEARN C(=N/OCc1nc2c3c4c(sc3ncn2n1)CCCC4)\c1ccccc1 ZINC000002296131 570518465 /nfs/dbraw/zinc/51/84/65/570518465.db2.gz SWATWNGCHDFLQY-UFFVCSGVSA-N 0 0 363.446 3.769 50 30 FHEARN CCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 ZINC000002313157 570518832 /nfs/dbraw/zinc/51/88/32/570518832.db2.gz RDGOHEARHPQWCX-MRXNPFEDSA-N 0 0 365.481 3.534 50 30 FHEARN Cc1ccccc1S(=O)(=O)N=C(Nc1ccccn1)c1ccccc1 ZINC000002709249 570528055 /nfs/dbraw/zinc/52/80/55/570528055.db2.gz PVDXYVIOQRLJOO-UHFFFAOYSA-N 0 0 351.431 3.638 50 30 FHEARN CN(Cc1ccc([S@@](C)=O)cc1)c1cc(C#N)ccc1C(F)(F)F ZINC000128041194 570548378 /nfs/dbraw/zinc/54/83/78/570548378.db2.gz MLHOJGCLSFUMGY-DEOSSOPVSA-N 0 0 352.381 3.951 50 30 FHEARN CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1 ZINC000003899841 570571191 /nfs/dbraw/zinc/57/11/91/570571191.db2.gz MZQJVVSXFHFOAN-FQEVSTJZSA-N 0 0 359.429 3.688 50 30 FHEARN CC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccco1 ZINC000004083028 570575190 /nfs/dbraw/zinc/57/51/90/570575190.db2.gz LUDYOKCZETWCOX-BDTNDASRSA-N 0 0 367.445 3.987 50 30 FHEARN Cc1c(C#N)c2nc3ccccc3n2c(=O)/c1=C/Nc1ccc(C(C)C)cc1 ZINC000005020285 570575329 /nfs/dbraw/zinc/57/53/29/570575329.db2.gz KXLMIYYAANKOGF-CPNJWEJPSA-N 0 0 368.440 3.720 50 30 FHEARN COc1ccccc1[C@@H]1[C@@H](C(C)=O)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N ZINC000004119043 570576762 /nfs/dbraw/zinc/57/67/62/570576762.db2.gz OTQACOQMALUWFM-YPAWHYETSA-N 0 0 369.424 3.686 50 30 FHEARN COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2ccc(O)cc2)C1=O ZINC000005124025 570586967 /nfs/dbraw/zinc/58/69/67/570586967.db2.gz ZPLMJCIALADDSU-XDHOZWIPSA-N 0 0 363.413 3.886 50 30 FHEARN CN1C(=O)N[C@H](c2cccc(Br)c2)C2=C1CC(C)(C)CC2=O ZINC000004387418 570589243 /nfs/dbraw/zinc/58/92/43/570589243.db2.gz UXNIXNGJGZCGDQ-OAHLLOKOSA-N 0 0 363.255 3.788 50 30 FHEARN CCc1ccc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1 ZINC000004540725 570595584 /nfs/dbraw/zinc/59/55/84/570595584.db2.gz TVNZVRNXLLEPQN-LJQANCHMSA-N 0 0 359.425 3.990 50 30 FHEARN N#C[C@@H]1CCCN(C(=O)c2cccc(-c3cnn(Cc4ccccc4)c3)c2)C1 ZINC000426489928 570607662 /nfs/dbraw/zinc/60/76/62/570607662.db2.gz PUYPKWNGTRFZRU-IBGZPJMESA-N 0 0 370.456 3.974 50 30 FHEARN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=Cc2ccc(O)cc2)C1=O ZINC000004834387 570609116 /nfs/dbraw/zinc/60/91/16/570609116.db2.gz BNTTYXJVGBFOOR-XDHOZWIPSA-N 0 0 363.413 3.886 50 30 FHEARN CC(C)(C)NC(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000004953512 570614962 /nfs/dbraw/zinc/61/49/62/570614962.db2.gz IJKCPKMBRGFIBO-UHFFFAOYSA-N 0 0 350.871 3.864 50 30 FHEARN COc1cc(C=NN=c2ccc3ccccc3[nH]2)c([N+](=O)[O-])cc1OC ZINC000005061340 570620358 /nfs/dbraw/zinc/62/03/58/570620358.db2.gz HKBWTGJNNMBZQA-YBFXNURJSA-N 0 0 352.350 3.606 50 30 FHEARN CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C)cc1 ZINC000005445502 570627422 /nfs/dbraw/zinc/62/74/22/570627422.db2.gz NPEXAEOUMYOIHR-QGZVFWFLSA-N 0 0 370.836 3.614 50 30 FHEARN Cc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4O)CC3=Nc3ncnn32)cc1 ZINC000005203757 570633189 /nfs/dbraw/zinc/63/31/89/570633189.db2.gz RIDQMOCZEPJQEZ-VFNWGFHPSA-N 0 0 372.428 3.708 50 30 FHEARN C=CCNC(=S)N=NCc1cccc(OC)c1OCc1ccccc1F ZINC000005237084 570638534 /nfs/dbraw/zinc/63/85/34/570638534.db2.gz JQFHMFQJAQLUAT-WSDLNYQXSA-N 0 0 373.453 3.809 50 30 FHEARN COC(=O)c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000006003848 570640098 /nfs/dbraw/zinc/64/00/98/570640098.db2.gz OMDRTGMBVJSFJV-VXLYETTFSA-N 0 0 372.837 3.556 50 30 FHEARN COc1ccccc1C=CC=NN1C(=S)N=NC1c1ccc(F)cc1 ZINC000006166057 570642537 /nfs/dbraw/zinc/64/25/37/570642537.db2.gz JPOPGAFQUAETBP-FKTOWYLZSA-N 0 0 354.410 3.929 50 30 FHEARN CC(C)Oc1ccccc1C(=O)Nc1nc2nc3ccccc3n2cc1C#N ZINC000005318709 570647013 /nfs/dbraw/zinc/64/70/13/570647013.db2.gz XVDXSPFNBJAEJE-UHFFFAOYSA-N 0 0 371.400 3.794 50 30 FHEARN COc1cccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ncnn32)c1 ZINC000005322120 570648817 /nfs/dbraw/zinc/64/88/17/570648817.db2.gz JJYHGVIIUKYWCJ-IERDGZPVSA-N 0 0 372.428 3.702 50 30 FHEARN CC(=O)Nc1cccc([S@@](=O)C(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000005412277 570654316 /nfs/dbraw/zinc/65/43/16/570654316.db2.gz OOSBYRCHSWWRBL-QFIPXVFZSA-N 0 0 351.243 3.543 50 30 FHEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(F)c2)cc1 ZINC000006819622 570654858 /nfs/dbraw/zinc/65/48/58/570654858.db2.gz YZIKUPLKYXFVGO-MAUKXSAKSA-N 0 0 365.404 3.839 50 30 FHEARN COc1cc(C#N)ccc1O[C@H](C)C(=O)N[C@@H]1CCCc2ccccc21 ZINC000005429895 570655471 /nfs/dbraw/zinc/65/54/71/570655471.db2.gz NDFIDJFNGKDWPE-RDTXWAMCSA-N 0 0 350.418 3.528 50 30 FHEARN COc1cccc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)c1OC ZINC000006922764 570656855 /nfs/dbraw/zinc/65/68/55/570656855.db2.gz BVFAUFDIYXHVBZ-WJDWOHSUSA-N 0 0 354.431 3.904 50 30 FHEARN C=CCNC(=S)Nc1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O ZINC000005631255 570683209 /nfs/dbraw/zinc/68/32/09/570683209.db2.gz VOQWUIWZVUJFST-UHFFFAOYSA-N 0 0 368.289 3.676 50 30 FHEARN CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@H]2c1ccccc1 ZINC000008578829 570683441 /nfs/dbraw/zinc/68/34/41/570683441.db2.gz ONGNCADZJOQNFG-ZDUSSCGKSA-N 0 0 353.447 3.633 50 30 FHEARN COC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(C)nn2CCC#N ZINC000012396399 570741737 /nfs/dbraw/zinc/74/17/37/570741737.db2.gz BLDRWIYLUVFBBB-UHFFFAOYSA-N 0 0 354.797 3.760 50 30 FHEARN COc1ccc(OC)c(/C=N/N2CCN(Cc3ccccc3Cl)CC2)c1 ZINC000012560969 570751006 /nfs/dbraw/zinc/75/10/06/570751006.db2.gz CDRUTTYUDIMIMX-HYARGMPZSA-N 0 0 373.884 3.509 50 30 FHEARN N#Cc1cccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)c1 ZINC000006376326 570764921 /nfs/dbraw/zinc/76/49/21/570764921.db2.gz GFOVYGXUXAGLTJ-UHFFFAOYSA-N 0 0 361.401 3.544 50 30 FHEARN NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1ccc(F)cc1 ZINC000005660654 570769515 /nfs/dbraw/zinc/76/95/15/570769515.db2.gz LQGYZCJQUIHWHT-UHFFFAOYSA-N 0 0 351.406 3.666 50 30 FHEARN CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1F ZINC000004476388 570792811 /nfs/dbraw/zinc/79/28/11/570792811.db2.gz ZYXRHOGCXSESSY-MRXNPFEDSA-N 0 0 373.424 3.705 50 30 FHEARN Cc1cccc2c3nnc(N=NCc4cc(Cl)ccc4O)nc3[nH]c21 ZINC000004491430 570799862 /nfs/dbraw/zinc/79/98/62/570799862.db2.gz GAWVHKHUAUCCKJ-UWVJOHFNSA-N 0 0 352.785 3.620 50 30 FHEARN CC(O)=C1C(=O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000101070003 570804363 /nfs/dbraw/zinc/80/43/63/570804363.db2.gz IXZYQPDDSDFGRS-SFKKXYGYSA-N 0 0 372.218 3.938 50 30 FHEARN N#C[C@@H](C(=O)Nc1ccccn1)C(=O)c1cc2c(s1)-c1ccccc1CC2 ZINC000102104143 570826937 /nfs/dbraw/zinc/82/69/37/570826937.db2.gz OXDKWQBCSKCRNG-MRXNPFEDSA-N 0 0 373.437 3.870 50 30 FHEARN CSc1nsc(N=NCc2cc(Br)ccc2O)c1C#N ZINC000004565071 570836467 /nfs/dbraw/zinc/83/64/67/570836467.db2.gz AFYGKCAXIWZLCJ-GIDUJCDVSA-N 0 0 369.269 3.651 50 30 FHEARN O=C(Nc1cccc(C#Cc2cccs2)c1)c1cnn(-c2ccccc2)n1 ZINC000032907507 570847539 /nfs/dbraw/zinc/84/75/39/570847539.db2.gz OAZNZZURSWQOKI-UHFFFAOYSA-N 0 0 370.437 3.981 50 30 FHEARN N#Cc1c(F)cccc1NCCNc1ncnc2sc3c(c21)CCC3 ZINC000032934481 570873086 /nfs/dbraw/zinc/87/30/86/570873086.db2.gz IXBIEHGWJPSYOR-UHFFFAOYSA-N 0 0 353.426 3.715 50 30 FHEARN COc1ccc(C#CCSc2nc(-c3ccc(OC)cc3)no2)cc1 ZINC000025185577 570891297 /nfs/dbraw/zinc/89/12/97/570891297.db2.gz POTYUAHMLYYDPI-UHFFFAOYSA-N 0 0 352.415 3.898 50 30 FHEARN Cc1cccc(C(=O)N=C(NCc2ccncc2)Nc2ccccc2F)c1 ZINC000045939707 570915035 /nfs/dbraw/zinc/91/50/35/570915035.db2.gz AIQYSLAUOILAHQ-UHFFFAOYSA-N 0 0 362.408 3.927 50 30 FHEARN CCOc1ccc(C(=O)N=C(NCc2cccnc2)Nc2ccccc2)cc1 ZINC000046127086 570927213 /nfs/dbraw/zinc/92/72/13/570927213.db2.gz CCAAXJAPMZWRFK-UHFFFAOYSA-N 0 0 374.444 3.878 50 30 FHEARN Cc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccccc2)cc1C ZINC000046128835 570927593 /nfs/dbraw/zinc/92/75/93/570927593.db2.gz CLNMYEASZLCIOP-IBGZPJMESA-N 0 0 351.450 3.680 50 30 FHEARN Cc1ccc(C(=O)N=C(NCc2cccnc2)Nc2cccc(F)c2)cc1 ZINC000046128187 570927603 /nfs/dbraw/zinc/92/76/03/570927603.db2.gz GLGJLGXJFFCAAC-UHFFFAOYSA-N 0 0 362.408 3.927 50 30 FHEARN Cc1ccc(NC(=NC(=O)c2ccc(F)cc2)NC[C@H]2CCCO2)cc1C ZINC000046129678 570928185 /nfs/dbraw/zinc/92/81/85/570928185.db2.gz QJBCZOVPZBMSTG-LJQANCHMSA-N 0 0 369.440 3.819 50 30 FHEARN Cc1cc(C)cc(NC(=NC(=O)c2cccc(F)c2)NC[C@H]2CCCO2)c1 ZINC000046131520 570928524 /nfs/dbraw/zinc/92/85/24/570928524.db2.gz HIKMUVSNJRSTQM-LJQANCHMSA-N 0 0 369.440 3.819 50 30 FHEARN Cc1c(OCC(=O)Nc2ccccc2SCC#N)cccc1[N+](=O)[O-] ZINC000048355134 570950903 /nfs/dbraw/zinc/95/09/03/570950903.db2.gz FEJVCENRBPYUMA-UHFFFAOYSA-N 0 0 357.391 3.536 50 30 FHEARN N#Cc1ccccc1Cn1cc(-c2cnn(Cc3ccccc3C#N)c2)cn1 ZINC000049581402 570964689 /nfs/dbraw/zinc/96/46/89/570964689.db2.gz JABBKLLERHWGCO-UHFFFAOYSA-N 0 0 364.412 3.587 50 30 FHEARN CCN(CC)C(=S)SCC(=O)N(CCC#N)c1ccc(C)c(C)c1 ZINC000070013382 571016171 /nfs/dbraw/zinc/01/61/71/571016171.db2.gz QTADHEYKNUCTOY-UHFFFAOYSA-N 0 0 363.552 3.910 50 30 FHEARN COc1ccc2[nH]c(CNC(=O)CC3=C(c4ccccc4)CCC3=O)cc2c1 ZINC000670470277 571039701 /nfs/dbraw/zinc/03/97/01/571039701.db2.gz LRCVFZYJWNPNKT-UHFFFAOYSA-N 0 0 374.440 4.000 50 30 FHEARN CCCC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccccc2C#N)C1=O ZINC000008429761 571046858 /nfs/dbraw/zinc/04/68/58/571046858.db2.gz CSRGAPXQGRCWTE-OAQYLSRUSA-N 0 0 365.408 3.835 50 30 FHEARN N#Cc1ccc(OCC(=O)N2CC=C(c3c[nH]c4ccccc43)CC2)cc1 ZINC000011072329 571053108 /nfs/dbraw/zinc/05/31/08/571053108.db2.gz WDIVTQKPOCIADT-UHFFFAOYSA-N 0 0 357.413 3.734 50 30 FHEARN CC(=O)Nc1cccc(-n2ccnc2-c2ccc(C#CC(C)(C)O)s2)c1 ZINC000072151159 571053310 /nfs/dbraw/zinc/05/33/10/571053310.db2.gz OPMBVSKORSZJGP-UHFFFAOYSA-N 0 0 365.458 3.682 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC ZINC000003082321 571053902 /nfs/dbraw/zinc/05/39/02/571053902.db2.gz PVCGMZDEZYIOOS-IBGZPJMESA-N 0 0 369.461 3.862 50 30 FHEARN COc1ccc2c(c1)C(=O)/C(=C/c1ccc(OC(F)F)c(OC)c1)CO2 ZINC000022958130 571055969 /nfs/dbraw/zinc/05/59/69/571055969.db2.gz OJAOMXFCIGNBAT-KPKJPENVSA-N 0 0 362.328 3.964 50 30 FHEARN C=C(C)COc1cccc(C(=O)NCc2nncn2C2CCCCC2)c1 ZINC000055168266 571058109 /nfs/dbraw/zinc/05/81/09/571058109.db2.gz KRLWIOSRBDXRPX-UHFFFAOYSA-N 0 0 354.454 3.668 50 30 FHEARN C=CCN(Cc1ccccc1OCC)C(=O)c1ccccc1-c1nc[nH]n1 ZINC000055252985 571058406 /nfs/dbraw/zinc/05/84/06/571058406.db2.gz IHQHACPQACHKPO-UHFFFAOYSA-N 0 0 362.433 3.699 50 30 FHEARN Cc1c(C)n(C2CCCC2)c(NC(=O)CSc2nncs2)c1C#N ZINC000008734446 571058460 /nfs/dbraw/zinc/05/84/60/571058460.db2.gz CNPAWFGHAFWEOR-UHFFFAOYSA-N 0 0 361.496 3.674 50 30 FHEARN CCNC(=S)NN=Cc1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000008749393 571059492 /nfs/dbraw/zinc/05/94/92/571059492.db2.gz JYUIOHKTKYWVON-UHFFFAOYSA-N 0 0 368.428 3.931 50 30 FHEARN Cn1c2ccccc2nc1SCC(=O)Nc1sc2c(c1C#N)CCC2 ZINC000008807846 571062490 /nfs/dbraw/zinc/06/24/90/571062490.db2.gz GROKDYJZNBZZHD-UHFFFAOYSA-N 0 0 368.487 3.726 50 30 FHEARN CC1(C)Cc2c(C#N)c(Nc3ccccc3)n3c(=S)[nH]nc3c2CO1 ZINC000001111304 571069261 /nfs/dbraw/zinc/06/92/61/571069261.db2.gz ZQRPEWZIXAZDRJ-UHFFFAOYSA-N 0 0 351.435 3.858 50 30 FHEARN COc1ccccc1CN(C(=O)c1cccc(C#CC(C)(C)O)c1)C1CC1 ZINC000065461966 571074104 /nfs/dbraw/zinc/07/41/04/571074104.db2.gz DUJVKDDGIZQWSB-UHFFFAOYSA-N 0 0 363.457 3.622 50 30 FHEARN N#Cc1ccc(NC(=O)NC[C@@H](O)c2cccc(Cl)c2)cc1Cl ZINC000040103381 571076519 /nfs/dbraw/zinc/07/65/19/571076519.db2.gz NSMRAYMDXPOKJL-OAHLLOKOSA-N 0 0 350.205 3.720 50 30 FHEARN Cc1ccc(-n2c3c(cc(C#N)c2=O)C(=O)C[C@H](c2ccccc2)C3)cc1 ZINC000032985424 571082801 /nfs/dbraw/zinc/08/28/01/571082801.db2.gz RRNKPRGJMLRCRS-QGZVFWFLSA-N 0 0 354.409 3.930 50 30 FHEARN C=CCn1c(C)c(C(C)=O)c(N2CCN(c3ccccc3)CC2)nc1=S ZINC000003648009 571082907 /nfs/dbraw/zinc/08/29/07/571082907.db2.gz GAEPNTBTWQYNRN-UHFFFAOYSA-N 0 0 368.506 3.636 50 30 FHEARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cn1 ZINC000328592174 571083321 /nfs/dbraw/zinc/08/33/21/571083321.db2.gz HLSCSCUETFGAEH-UHFFFAOYSA-N 0 0 370.211 3.817 50 30 FHEARN O=C1CCCC2=Nc3nonc3N[C@H](c3ccc(Cl)cc3Cl)C12 ZINC000012407785 571093512 /nfs/dbraw/zinc/09/35/12/571093512.db2.gz HKNNJVKAHSOFFX-CYBMUJFWSA-N 0 0 351.193 3.962 50 30 FHEARN C=CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)cc1 ZINC000009094945 571095504 /nfs/dbraw/zinc/09/55/04/571095504.db2.gz DUNMZKVQLPMMDA-UHFFFAOYSA-N 0 0 353.827 3.714 50 30 FHEARN CCSc1nc(-c2ccc(Br)cc2)c(C#N)c(=O)n1CC ZINC000012413629 571095949 /nfs/dbraw/zinc/09/59/49/571095949.db2.gz QDAHJILLWIBOJD-UHFFFAOYSA-N 0 0 364.268 3.676 50 30 FHEARN COc1ccc(/C=C2\C(=O)ON=C2c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000012420243 571097900 /nfs/dbraw/zinc/09/79/00/571097900.db2.gz AQKXDJSJXVSDSR-JYRVWZFOSA-N 0 0 358.737 3.601 50 30 FHEARN C=CCc1c(C)nn(-c2nc(CC(=O)Nc3cc(C)ccn3)cs2)c1C ZINC000033019291 571104930 /nfs/dbraw/zinc/10/49/30/571104930.db2.gz MBLLBZRYYJUCDB-UHFFFAOYSA-N 0 0 367.478 3.559 50 30 FHEARN N#Cc1ccc(NC(=O)CN(Cc2c(F)cccc2Cl)C2CC2)cc1 ZINC000009376109 571107320 /nfs/dbraw/zinc/10/73/20/571107320.db2.gz SPNUSRNCPRZHDJ-UHFFFAOYSA-N 0 0 357.816 3.954 50 30 FHEARN CC(C)(C)[C@H]1CCc2nc(SCC(N)=O)c(C#N)c(C(F)(F)F)c2C1 ZINC000009423407 571108635 /nfs/dbraw/zinc/10/86/35/571108635.db2.gz AKJIWBFPXHOQSG-VIFPVBQESA-N 0 0 371.428 3.700 50 30 FHEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 ZINC000005787741 571111726 /nfs/dbraw/zinc/11/17/26/571111726.db2.gz UFXGNGNGUXJBPY-MRXNPFEDSA-N 0 0 371.780 3.759 50 30 FHEARN CCCN1c2ccccc2S(=O)(=O)N=C1SCc1ccc(C#N)cc1 ZINC000009530270 571112655 /nfs/dbraw/zinc/11/26/55/571112655.db2.gz IKWSEFHRXKTPEE-UHFFFAOYSA-N 0 0 371.487 3.766 50 30 FHEARN C=CCOc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1 ZINC000012343878 571117968 /nfs/dbraw/zinc/11/79/68/571117968.db2.gz BJPGURCNRORCDO-CNYBTUBUSA-N 0 0 361.488 3.632 50 30 FHEARN COc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c(OC)c1 ZINC000001506547 571124699 /nfs/dbraw/zinc/12/46/99/571124699.db2.gz ZWUTYKOBVGBFIV-UHFFFAOYSA-N 0 0 354.402 3.832 50 30 FHEARN CCN(CC)c1ccc(NC(=O)[C@@H](C#N)c2nc3ccccc3s2)cn1 ZINC000058166127 571126679 /nfs/dbraw/zinc/12/66/79/571126679.db2.gz PYUPNTWIJJPTFE-CQSZACIVSA-N 0 0 365.462 3.783 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccncc1Cl ZINC000025694834 571132668 /nfs/dbraw/zinc/13/26/68/571132668.db2.gz DBGYTQQTKVQZJZ-INIZCTEOSA-N 0 0 360.841 3.512 50 30 FHEARN COC(=O)c1cc(/N=C/C=C/c2ccccc2[N+](=O)[O-])cc(C(=O)OC)c1 ZINC000043761149 571133023 /nfs/dbraw/zinc/13/30/23/571133023.db2.gz RXQLPGPZFBPPSC-WTYNHFEKSA-N 0 0 368.345 3.584 50 30 FHEARN COc1ccc(OC)c(/C=N/n2cnnc2SCc2ccc(C)cc2)c1 ZINC000000940377 571135265 /nfs/dbraw/zinc/13/52/65/571135265.db2.gz GBMAPFACYZCMAD-SRZZPIQSSA-N 0 0 368.462 3.778 50 30 FHEARN COC(=O)c1ccc(OC(C)C)c(NCCOc2ccc(C#N)cc2)c1 ZINC000063740942 571137157 /nfs/dbraw/zinc/13/71/57/571137157.db2.gz FGYYSGKGFNDIHB-UHFFFAOYSA-N 0 0 354.406 3.623 50 30 FHEARN C[C@H](Sc1cccc[n+]1[O-])C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000011205585 571137523 /nfs/dbraw/zinc/13/75/23/571137523.db2.gz NPQSBBNLLMYRAH-RAOBZKRQSA-N 0 0 354.475 3.681 50 30 FHEARN CC(C)(C)c1csc(NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)n1 ZINC000025282536 571142860 /nfs/dbraw/zinc/14/28/60/571142860.db2.gz LSEURGMIVUZCAJ-UHFFFAOYSA-N 0 0 369.494 3.562 50 30 FHEARN COc1ccccc1[C@H]1[C@@H]2CCCC=C2c2c(N)snc2C1(C#N)C#N ZINC000001021799 571143784 /nfs/dbraw/zinc/14/37/84/571143784.db2.gz BITYIZZJQLXRGJ-CXAGYDPISA-N 0 0 362.458 4.000 50 30 FHEARN Cn1cc(CC(=O)Nc2n[nH]c(Cc3ccc(F)cc3)n2)c2ccccc21 ZINC000072406123 571146392 /nfs/dbraw/zinc/14/63/92/571146392.db2.gz APIOLGGXPCZXDS-UHFFFAOYSA-N 0 0 363.396 3.857 50 30 FHEARN C[C@@H](Nc1cccc(OC(F)(F)F)c1)C(=O)Nc1sccc1C#N ZINC000025482759 571146715 /nfs/dbraw/zinc/14/67/15/571146715.db2.gz YFZOUJDNNIPXIK-SECBINFHSA-N 0 0 355.341 3.957 50 30 FHEARN N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O ZINC000004690381 571161846 /nfs/dbraw/zinc/16/18/46/571161846.db2.gz AHIQWNRPXDXWJG-CAOOACKPSA-N 0 0 364.382 3.523 50 30 FHEARN CCN(C(=O)[C@@H](C)N(C)CC(=O)Nc1cccc(F)c1)C1CCCCC1 ZINC000082071270 571164494 /nfs/dbraw/zinc/16/44/94/571164494.db2.gz LKFBPJQPQADXBK-OAHLLOKOSA-N 0 0 363.477 3.915 50 30 FHEARN COc1cccc([C@@H]2NC(=O)NC(C)=C2C(=O)c2ccc(Cl)cc2)c1 ZINC000005862185 571167096 /nfs/dbraw/zinc/16/70/96/571167096.db2.gz FTLBNFMLAYNJML-KRWDZBQOSA-N 0 0 356.809 3.859 50 30 FHEARN CC(C)N1c2ccccc2[C@@](O)(CC(=O)C=CC=Cc2ccccc2)C1=O ZINC000004724202 571168907 /nfs/dbraw/zinc/16/89/07/571168907.db2.gz DNNMAEWTCWBBTQ-PCYTUBISSA-N 0 0 361.441 3.858 50 30 FHEARN COc1cc2c(cc1OC)C(Nc1ccc(C(C)=O)cc1)=NC(C)(C)C2 ZINC000003902671 571171906 /nfs/dbraw/zinc/17/19/06/571171906.db2.gz KZZPVAZROBXJBU-UHFFFAOYSA-N 0 0 352.434 3.909 50 30 FHEARN N#Cc1c(NC(=O)COC(=O)c2cccs2)sc2c1CCCCC2 ZINC000003246708 571177305 /nfs/dbraw/zinc/17/73/05/571177305.db2.gz BOCHFRPCWHIGMO-UHFFFAOYSA-N 0 0 360.460 3.746 50 30 FHEARN C[C@H](C#N)Sc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCC3 ZINC000006365327 571182953 /nfs/dbraw/zinc/18/29/53/571182953.db2.gz YDVNFECDARCRPN-LLVKDONJSA-N 0 0 371.487 3.982 50 30 FHEARN C[C@@H](OC(=O)[C@H](C)Oc1ccc(C#N)cc1)C(=O)c1c[nH]c2ccccc21 ZINC000006466247 571200243 /nfs/dbraw/zinc/20/02/43/571200243.db2.gz MAJHSNBKLUMKGT-KGLIPLIRSA-N 0 0 362.385 3.621 50 30 FHEARN C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(C)cc1 ZINC000006477838 571201531 /nfs/dbraw/zinc/20/15/31/571201531.db2.gz XUZAWERKJNPCPQ-UHFFFAOYSA-N 0 0 370.522 3.981 50 30 FHEARN N#C[C@H]1C2=C(CCCC2)S[C@@H]1NC(=O)c1cc2ccccc2oc1=O ZINC000004079223 571210825 /nfs/dbraw/zinc/21/08/25/571210825.db2.gz NHNDVSRWNTYPBW-KSSFIOAISA-N 0 0 352.415 3.564 50 30 FHEARN C#CCN1C(=O)S/C(=C\c2cc(Cl)c(OCC)c(OCC)c2)C1=O ZINC000033291708 571230430 /nfs/dbraw/zinc/23/04/30/571230430.db2.gz 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571261592 /nfs/dbraw/zinc/26/15/92/571261592.db2.gz ZUBRMCSUXHVSTQ-UHFFFAOYSA-N 0 0 359.358 3.953 50 30 FHEARN C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OC)=C1C ZINC000007550937 571268909 /nfs/dbraw/zinc/26/89/09/571268909.db2.gz QKEVVIQOKHCSJH-CQSZACIVSA-N 0 0 355.221 3.693 50 30 FHEARN Cc1c2ccccc2sc1C(=O)OCC(=O)Nc1sccc1C#N ZINC000007568002 571269544 /nfs/dbraw/zinc/26/95/44/571269544.db2.gz CXNWJNCLEDWDRF-UHFFFAOYSA-N 0 0 356.428 3.938 50 30 FHEARN C=CCOc1c(Cl)cc(/C=C2/N=C(c3ccco3)OC2=O)cc1OC ZINC000002071191 571275494 /nfs/dbraw/zinc/27/54/94/571275494.db2.gz NCDKHWWZJNOYRS-UKTHLTGXSA-N 0 0 359.765 3.851 50 30 FHEARN O=[N+]([O-])c1ccc(N=NCc2ccc(Cl)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000252463195 571279148 /nfs/dbraw/zinc/27/91/48/571279148.db2.gz ZNRTVMJSCJGMGD-UHFFFAOYSA-N 0 0 365.689 3.511 50 30 FHEARN CC(=O)Nc1cccc(-c2nnc(SCc3ccccc3C#N)o2)c1 ZINC000007604781 571283864 /nfs/dbraw/zinc/28/38/64/571283864.db2.gz BEBNUSOJNSPXRC-UHFFFAOYSA-N 0 0 350.403 3.859 50 30 FHEARN CC(=O)Nc1ccc(-c2nnc(SCc3ccccc3C#N)o2)cc1 ZINC000007604780 571283869 /nfs/dbraw/zinc/28/38/69/571283869.db2.gz TWPQUVFGEYXJBA-UHFFFAOYSA-N 0 0 350.403 3.859 50 30 FHEARN C=CCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1c1cccs1 ZINC000007680083 571285773 /nfs/dbraw/zinc/28/57/73/571285773.db2.gz NSLYHPHYHRPBKQ-GOSISDBHSA-N 0 0 374.531 3.773 50 30 FHEARN CC(=NOCC(=O)Nc1ccc(Br)cc1)c1cccs1 ZINC000252614197 571285926 /nfs/dbraw/zinc/28/59/26/571285926.db2.gz JGVRJLLEWGOITA-UHFFFAOYSA-N 0 0 353.241 3.890 50 30 FHEARN COc1ccc2c(c1)C(=NOC(=O)c1ccc(OC)c([N+](=O)[O-])c1)CCC2 ZINC000252617944 571286479 /nfs/dbraw/zinc/28/64/79/571286479.db2.gz LBYOAMVUTPDSCW-UHFFFAOYSA-N 0 0 370.361 3.509 50 30 FHEARN Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)COc1ccccc1C#N ZINC000007737364 571287659 /nfs/dbraw/zinc/28/76/59/571287659.db2.gz IVTQZOPFZFFGAO-UHFFFAOYSA-N 0 0 366.808 3.630 50 30 FHEARN CC(=O)C(=NNc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000252628029 571289297 /nfs/dbraw/zinc/28/92/97/571289297.db2.gz SGTACRLDUFNAOS-UHFFFAOYSA-N 0 0 350.205 3.989 50 30 FHEARN O=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1ccccc1 ZINC000002263124 571293932 /nfs/dbraw/zinc/29/39/32/571293932.db2.gz HNBIZUNLNXVIDE-HZHRSRAPSA-N 0 0 355.397 3.858 50 30 FHEARN CNC(=S)NN=C(C)c1c(=O)[nH]c2ccc(C)cc2c1-c1ccccc1 ZINC000253532202 571318735 /nfs/dbraw/zinc/31/87/35/571318735.db2.gz JRSCKPOKCNDXQT-UHFFFAOYSA-N 0 0 364.474 3.734 50 30 FHEARN Cc1sc2ncn(N=Cc3c(F)c(F)c(F)c(F)c3F)c(=O)c2c1C ZINC000254297036 571319047 /nfs/dbraw/zinc/31/90/47/571319047.db2.gz XOEFZVUIVQRRRI-UHFFFAOYSA-N 0 0 373.306 3.653 50 30 FHEARN COc1ccc(F)cc1CN1CCc2nc[nH]c2[C@@H]1c1cccc(C#N)c1 ZINC000072429317 571319150 /nfs/dbraw/zinc/31/91/50/571319150.db2.gz UOQGHBAWHMZWTM-NRFANRHFSA-N 0 0 362.408 3.577 50 30 FHEARN O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000328591760 571323562 /nfs/dbraw/zinc/32/35/62/571323562.db2.gz FZMCGEICFLFJND-NWANDNLSSA-N 0 0 357.281 3.510 50 30 FHEARN N#Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)c(F)c1 ZINC000078758205 571325925 /nfs/dbraw/zinc/32/59/25/571325925.db2.gz WYVIJGMIBKKDGL-JKSUJKDBSA-N 0 0 373.225 3.880 50 30 FHEARN C=CCn1c(SCc2nnc(C)s2)nnc1-c1ccccc1OC ZINC000095459394 571330148 /nfs/dbraw/zinc/33/01/48/571330148.db2.gz FPOOCLLEACGQBM-UHFFFAOYSA-N 0 0 359.480 3.592 50 30 FHEARN N#Cc1ccc(COC(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)cc1 ZINC000095952906 571332749 /nfs/dbraw/zinc/33/27/49/571332749.db2.gz BQXXKOLVEXDZNC-UHFFFAOYSA-N 0 0 373.290 3.984 50 30 FHEARN CCOC1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 ZINC000095953656 571332823 /nfs/dbraw/zinc/33/28/23/571332823.db2.gz CADRJRSYPBXBGQ-OAHLLOKOSA-N 0 0 361.511 3.520 50 30 FHEARN N#CCCSc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000095953566 571332830 /nfs/dbraw/zinc/33/28/30/571332830.db2.gz INVPSLNQOZUHQW-CQSZACIVSA-N 0 0 369.421 3.896 50 30 FHEARN C=C[C@@H](C)NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccccc1Cl ZINC000095965023 571333107 /nfs/dbraw/zinc/33/31/07/571333107.db2.gz NRBMRYAZNDYXLT-AUUYWEPGSA-N 0 0 368.864 3.598 50 30 FHEARN O=C(C=CC=Cc1ccccc1)C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21 ZINC000096488847 571336044 /nfs/dbraw/zinc/33/60/44/571336044.db2.gz FVXMSCCPIYINBQ-WTSZYFFXSA-N 0 0 353.805 3.709 50 30 FHEARN CN(C)c1ccc([C@H](CNc2oc(-c3ccco3)nc2C#N)[NH+](C)C)cc1 ZINC000027991006 571337380 /nfs/dbraw/zinc/33/73/80/571337380.db2.gz RFXTXWUIVWGXIZ-KRWDZBQOSA-N 0 0 365.437 3.587 50 30 FHEARN N#Cc1cccc(NC(=O)COc2ccc(Br)cc2Cl)c1 ZINC000002874081 571341428 /nfs/dbraw/zinc/34/14/28/571341428.db2.gz KJSLSSWBIQUOAC-UHFFFAOYSA-N 0 0 365.614 3.992 50 30 FHEARN N#CCSc1nc2ccccc2c(NCc2ccc3c(c2)OCO3)n1 ZINC000002948987 571342114 /nfs/dbraw/zinc/34/21/14/571342114.db2.gz FMGUJJAKOHNBJR-UHFFFAOYSA-N 0 0 350.403 3.586 50 30 FHEARN C[C@@H](CCc1ccccc1)N1CC(=O)C(c2nc3ccccc3s2)=C1N ZINC000003252730 571346122 /nfs/dbraw/zinc/34/61/22/571346122.db2.gz NWFCOEBKVHSZFR-AWEZNQCLSA-N 0 0 363.486 3.830 50 30 FHEARN N#Cc1ccccc1NC(=O)COC(=O)C1(c2ccccc2F)CCCC1 ZINC000003255169 571346186 /nfs/dbraw/zinc/34/61/86/571346186.db2.gz ASFYCKFUQNFRKA-UHFFFAOYSA-N 0 0 366.392 3.691 50 30 FHEARN N#Cc1ccc(Cl)cc1NC(=O)CSc1ccc2c(c1)OCCO2 ZINC000003297479 571346837 /nfs/dbraw/zinc/34/68/37/571346837.db2.gz VQEFHTUPXZRCAG-UHFFFAOYSA-N 0 0 360.822 3.714 50 30 FHEARN N#Cc1ccccc1OCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000003306373 571347066 /nfs/dbraw/zinc/34/70/66/571347066.db2.gz SRUMQCKDZIYJNV-UHFFFAOYSA-N 0 0 356.381 3.807 50 30 FHEARN COc1ccc(-c2nnc(SCC#N)n2CCc2ccccc2)cc1 ZINC000003318161 571347218 /nfs/dbraw/zinc/34/72/18/571347218.db2.gz CCRMGCRKSDKKMC-UHFFFAOYSA-N 0 0 350.447 3.812 50 30 FHEARN Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)c1ccc(C#N)cc1 ZINC000003332438 571347609 /nfs/dbraw/zinc/34/76/09/571347609.db2.gz AVOCWVFGTMIWLL-UHFFFAOYSA-N 0 0 369.837 3.744 50 30 FHEARN N#Cc1oc2ccccc2c1NC(=O)CSc1ncnc2ccccc21 ZINC000003527829 571350717 /nfs/dbraw/zinc/35/07/17/571350717.db2.gz ZTYPNDLZRKDCDM-UHFFFAOYSA-N 0 0 360.398 3.978 50 30 FHEARN C[C@]1(c2cccc3ccccc32)NC(=O)N(Cc2ccccc2C#N)C1=O ZINC000003550829 571350980 /nfs/dbraw/zinc/35/09/80/571350980.db2.gz VFKJFDSWDONBES-JOCHJYFZSA-N 0 0 355.397 3.679 50 30 FHEARN COc1ccc(/C=C/C(=O)c2cc3cccc(OC)c3oc2=O)cc1OC ZINC000003911121 571353228 /nfs/dbraw/zinc/35/32/28/571353228.db2.gz PMVKHWGQWZSVKQ-VQHVLOKHSA-N 0 0 366.369 3.715 50 30 biogenic FHEARN COc1ccc2[nH]c3c(ncn(/N=C/[C@@H]4[C@H](C)CC(C)=C[C@@H]4C)c3=O)c2c1 ZINC000004028803 571354252 /nfs/dbraw/zinc/35/42/52/571354252.db2.gz QTBQTTBAAXXJAQ-VKSDIDONSA-N 0 0 364.449 3.959 50 30 biogenic FHEARN O=C(/C=C/N1CCC[C@H]1C(=O)Nc1ccc(F)c(Cl)c1)C(F)(F)F ZINC000004119704 571355612 /nfs/dbraw/zinc/35/56/12/571355612.db2.gz XSGHPWWFLHERDM-PZBABLGHSA-N 0 0 364.726 3.527 50 30 FHEARN CC[C@H](C)NC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n21 ZINC000004269493 571357452 /nfs/dbraw/zinc/35/74/52/571357452.db2.gz BVWIZCNPWOUSHY-ZDUSSCGKSA-N 0 0 352.463 3.674 50 30 FHEARN CSc1nc(NCCCO)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1 ZINC000007995298 571358381 /nfs/dbraw/zinc/35/83/81/571358381.db2.gz IHRZSGKBEOIWCR-UHFFFAOYSA-N 0 0 356.495 3.829 50 30 FHEARN COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(C#N)cc1OC ZINC000008150717 571359557 /nfs/dbraw/zinc/35/95/57/571359557.db2.gz RECOQEZKAHGKDD-UHFFFAOYSA-N 0 0 360.797 3.555 50 30 FHEARN Cc1cc2cc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)oc2cc1C ZINC000173466650 942026799 /nfs/dbraw/zinc/02/67/99/942026799.db2.gz AJDKXGXYUIWZGG-HXUWFJFHSA-N 0 0 373.456 3.900 50 30 FHEARN C[C@@H]1CN(Cc2ccc(C(=O)Nc3cc(C4CC4)[nH]n3)cc2)C[C@@H](C)O1 ZINC000328930909 942226407 /nfs/dbraw/zinc/22/64/07/942226407.db2.gz HQPAOENSHJDXNX-ZIAGYGMSSA-N 0 0 354.454 3.533 50 30 FHEARN COc1ccc2c(c1)OC[C@H](NC(=O)N1CCC[C@H]1c1cccs1)C2 ZINC000328994169 942235066 /nfs/dbraw/zinc/23/50/66/942235066.db2.gz JFHMJJCUNQBKEC-ZBFHGGJFSA-N 0 0 358.463 3.811 50 30 FHEARN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1C(=O)NCc1csc2ccccc12 ZINC000329053272 942237999 /nfs/dbraw/zinc/23/79/99/942237999.db2.gz RVQUNXKDEYZEEL-UWVAXJGDSA-N 0 0 374.506 3.567 50 30 FHEARN CC(C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000005861029 942316103 /nfs/dbraw/zinc/31/61/03/942316103.db2.gz OQQDJNIOYLDCOW-AWEZNQCLSA-N 0 0 373.503 3.896 50 30 FHEARN O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)c[nH]1)[C@H]1CCn2cncc2C1 ZINC000329510346 943980178 /nfs/dbraw/zinc/98/01/78/943980178.db2.gz MQPGHUDIGUHPAF-IIFATDLDSA-N 0 0 365.481 3.925 50 30 FHEARN Cc1cc(C(=O)Nc2c(C)c(C(F)(F)F)nn2C)nn1[C@@H](C)C1CC1 ZINC000329664405 944145375 /nfs/dbraw/zinc/14/53/75/944145375.db2.gz PLTDNDWJIYFQAU-JTQLQIEISA-N 0 0 355.364 3.860 50 30 FHEARN C[C@H]1C[C@H](c2ccccc2F)N(S(=O)(=O)CC2(C#N)CCCC2)C1 ZINC000331623570 944464943 /nfs/dbraw/zinc/46/49/43/944464943.db2.gz YCYWCJQSDJNDAH-WMLDXEAASA-N 0 0 350.459 3.622 50 30 FHEARN C[Si](C)(c1cc(F)c(F)c(F)c1F)c1cc(F)c(F)c(F)c1F ZINC000169817464 946089228 /nfs/dbraw/zinc/08/92/28/946089228.db2.gz MDQIAWFAEZGVGX-UHFFFAOYSA-N 0 0 356.288 3.622 50 30 FHEARN COCc1ccc(NC(=O)N2C[C@@H](C)OC3(CCCCC3)C2)cc1C#N ZINC000888100408 948439792 /nfs/dbraw/zinc/43/97/92/948439792.db2.gz JTUVNDDEGDMRKP-OAHLLOKOSA-N 0 0 357.454 3.660 50 30 FHEARN CCOc1ccc(N(CCC#N)C(=O)[C@H]2COc3cc(F)ccc3C2)cc1 ZINC000599316007 948784488 /nfs/dbraw/zinc/78/44/88/948784488.db2.gz ZFDQSBGAWLNKQA-MRXNPFEDSA-N 0 0 368.408 3.722 50 30 FHEARN CCOc1ccc(N(CCC#N)C(=O)[C@@H]2COc3cc(F)ccc3C2)cc1 ZINC000599316006 948797038 /nfs/dbraw/zinc/79/70/38/948797038.db2.gz ZFDQSBGAWLNKQA-INIZCTEOSA-N 0 0 368.408 3.722 50 30 FHEARN O=C1c2ccc3c(c2O/C1=C\c1cccnc1)[C@@H](c1ccncc1)CC(=O)O3 ZINC000218118171 222677007 /nfs/dbraw/zinc/67/70/07/222677007.db2.gz YZSXEKSYBOEXQV-LTKMBJGESA-N 0 0 370.364 3.534 50 30 FHEARN C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C1=O ZINC000000664531 219310117 /nfs/dbraw/zinc/31/01/17/219310117.db2.gz XDHDWXUJIOXDFD-LFIBNONCSA-N 0 0 355.825 3.826 50 30 FHEARN COc1ccc(Nc2oc(COc3ccc(OC)cc3)nc2C#N)cc1 ZINC000000646631 219309234 /nfs/dbraw/zinc/30/92/34/219309234.db2.gz SRKAWZRPVROWFZ-UHFFFAOYSA-N 0 0 351.362 3.886 50 30 FHEARN Cc1ccc(OCc2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)cc1 ZINC000000794760 219321156 /nfs/dbraw/zinc/32/11/56/219321156.db2.gz UXRNKJBJGZCOQM-UHFFFAOYSA-N 0 0 363.373 3.775 50 30 FHEARN Cc1c(C)c(=O)oc2c(C)c(OCC(=O)Nc3cccc(C#N)c3)ccc12 ZINC000000793113 219321386 /nfs/dbraw/zinc/32/13/86/219321386.db2.gz BKOUBEMOCXYLIM-UHFFFAOYSA-N 0 0 362.385 3.607 50 30 FHEARN CCOc1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000823533 219327214 /nfs/dbraw/zinc/32/72/14/219327214.db2.gz YOBNLLNNINWVDH-IBGZPJMESA-N 0 0 369.461 3.862 50 30 FHEARN CCOc1ccc2nc(SCC(=O)N3CCCCC3)c(C#N)cc2c1 ZINC000000907375 219339352 /nfs/dbraw/zinc/33/93/52/219339352.db2.gz MSIGWSZDNZLDRU-UHFFFAOYSA-N 0 0 355.463 3.610 50 30 FHEARN C/C(=N/OCC(=O)Nc1ccc(Br)cc1)c1cccs1 ZINC000000972590 219348689 /nfs/dbraw/zinc/34/86/89/219348689.db2.gz JGVRJLLEWGOITA-YVLHZVERSA-N 0 0 353.241 3.890 50 30 FHEARN C=CCn1c(CC)nc2c3cc4c(nc3sc2c1=O)CC(C)(C)OC4 ZINC000000987288 219349921 /nfs/dbraw/zinc/34/99/21/219349921.db2.gz XQMGAOVMBWPFPO-UHFFFAOYSA-N 0 0 355.463 3.606 50 30 FHEARN C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC)c(OCC)c2)C1=O ZINC000001005897 219353054 /nfs/dbraw/zinc/35/30/54/219353054.db2.gz KUQJOOKDTKOGFL-GXDHUFHOSA-N 0 0 365.838 3.807 50 30 FHEARN CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1 ZINC000001052104 219359403 /nfs/dbraw/zinc/35/94/03/219359403.db2.gz TYINMNODWKHVTF-INIZCTEOSA-N 0 0 355.434 3.566 50 30 FHEARN CSc1sc(C(=O)N2CCOCC2)c(-c2cccs2)c1C#N ZINC000001037553 219356159 /nfs/dbraw/zinc/35/61/59/219356159.db2.gz ROBMOHLEDHXOCM-UHFFFAOYSA-N 0 0 350.490 3.543 50 30 FHEARN CN(C(=O)Cn1cc(C#N)c2cc(Br)ccc21)c1ccccc1 ZINC000001148462 219381064 /nfs/dbraw/zinc/38/10/64/219381064.db2.gz GHTMFAYIGWZAFH-UHFFFAOYSA-N 0 0 368.234 3.938 50 30 FHEARN Brc1ccc(OCc2ccccc2)c(/C=N/n2cnnc2)c1 ZINC000001185318 219386165 /nfs/dbraw/zinc/38/61/65/219386165.db2.gz FVKXYJFOJJGWEU-AWQFTUOYSA-N 0 0 357.211 3.502 50 30 FHEARN Cc1cc(C)c(C#N)c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1 ZINC000001920824 219421978 /nfs/dbraw/zinc/42/19/78/219421978.db2.gz NSYGLUPWFMHDRB-UHFFFAOYSA-N 0 0 357.391 3.637 50 30 FHEARN C=CCNc1sc(C(=O)c2ccc(Br)s2)c(N)c1C#N ZINC000002266576 219435405 /nfs/dbraw/zinc/43/54/05/219435405.db2.gz LQDMSIRJQBCAGP-UHFFFAOYSA-N 0 0 368.281 3.855 50 30 FHEARN CC(C)Oc1cccc(C2N=NC(=S)N2N=Cc2ccc(O)cc2)c1 ZINC000002522404 219448472 /nfs/dbraw/zinc/44/84/72/219448472.db2.gz KSXNTXIPJKWPKA-YBFXNURJSA-N 0 0 354.435 3.609 50 30 FHEARN COc1ccc(CC/N=C/c2cc(Br)ccc2O)cc1OC ZINC000003119277 219487480 /nfs/dbraw/zinc/48/74/80/219487480.db2.gz PACNTPALOWKTHG-YBFXNURJSA-N 0 0 364.239 3.834 50 30 FHEARN COc1ccccc1Oc1cc(C#N)c(C#N)cc1-n1nnc2ccccc21 ZINC000004294896 219562799 /nfs/dbraw/zinc/56/27/99/219562799.db2.gz ZDUPMKPVDRTDCV-UHFFFAOYSA-N 0 0 367.368 3.965 50 30 FHEARN COc1cc(/C=C2\CC/C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O ZINC000004802476 219608088 /nfs/dbraw/zinc/60/80/88/219608088.db2.gz NZSRSKNDCCSSGY-KAVGSWPWSA-N 0 0 352.386 3.945 50 30 FHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1Cl ZINC000004906477 219622606 /nfs/dbraw/zinc/62/26/06/219622606.db2.gz RPMUGDOAZFFYQX-QGZVFWFLSA-N 0 0 371.820 3.565 50 30 FHEARN COc1ccccc1/C=N/N=C1/NC(=O)[C@H](Cc2ccc(Cl)cc2)S1 ZINC000005047707 219644886 /nfs/dbraw/zinc/64/48/86/219644886.db2.gz SBCYEOYGZPBVSA-YODDIOPGSA-N 0 0 373.865 3.513 50 30 FHEARN CC(C)(C)c1cnnn1-c1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000005174397 219657917 /nfs/dbraw/zinc/65/79/17/219657917.db2.gz JZOSAQCTCBKVGN-UDWIEESQSA-N 0 0 364.409 3.919 50 30 FHEARN CC1=C(C(=O)c2ccccc2)[C@H](c2ccccc2OC(F)F)NC(=O)N1 ZINC000005504611 219684485 /nfs/dbraw/zinc/68/44/85/219684485.db2.gz ZVRMCTQEUNROMA-INIZCTEOSA-N 0 0 358.344 3.799 50 30 FHEARN CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccccc2C#N)c1 ZINC000006408325 219730333 /nfs/dbraw/zinc/73/03/33/219730333.db2.gz SMWIVYFJENFWBK-UHFFFAOYSA-N 0 0 360.822 3.729 50 30 FHEARN N#Cc1ccc(S(=O)(=O)N2CCC(CCc3ccccc3)CC2)cc1 ZINC000010680696 219909226 /nfs/dbraw/zinc/90/92/26/219909226.db2.gz IVSPLJTWUXSCMN-UHFFFAOYSA-N 0 0 354.475 3.592 50 30 FHEARN N#Cc1ccccc1NC(=O)CNc1cc(Cl)ccc1N1CCCC1 ZINC000011620666 219923852 /nfs/dbraw/zinc/92/38/52/219923852.db2.gz OQOKUNSRWFJYFK-UHFFFAOYSA-N 0 0 354.841 3.862 50 30 FHEARN Cc1ccccc1-n1ccnc1SCC(=O)Nc1sccc1C#N ZINC000012530847 220003220 /nfs/dbraw/zinc/00/32/20/220003220.db2.gz VYBXTCPQISJHRU-UHFFFAOYSA-N 0 0 354.460 3.845 50 30 FHEARN COc1ccc(-c2nnc(SCCC#N)n2-c2ccc(OC)cc2)cc1 ZINC000012533633 220003656 /nfs/dbraw/zinc/00/36/56/220003656.db2.gz BMKOCBNUKWPLPV-UHFFFAOYSA-N 0 0 366.446 3.957 50 30 FHEARN C=C1[C@H](C(=O)N2c3ccccc3C[C@@H]2C)[C@@H]1C(=O)N1c2ccccc2C[C@@H]1C ZINC000012559447 220007176 /nfs/dbraw/zinc/00/71/76/220007176.db2.gz GWZQTOHOERXPOC-YKTUVVHCSA-N 0 0 372.468 3.744 50 30 FHEARN C[C@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000012768469 220026926 /nfs/dbraw/zinc/02/69/26/220026926.db2.gz COXHXXAEDKVJNH-JOCHJYFZSA-N 0 0 355.397 3.679 50 30 FHEARN COc1cc(CN(C(=O)c2ccc(C#N)cc2)C2CC2)ccc1OC(F)F ZINC000012797472 220031556 /nfs/dbraw/zinc/03/15/56/220031556.db2.gz BWIBRDSROBJYHQ-UHFFFAOYSA-N 0 0 372.371 3.973 50 30 FHEARN N#Cc1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c([N+](=O)[O-])c1 ZINC000012824205 220035034 /nfs/dbraw/zinc/03/50/34/220035034.db2.gz CYXACTCHHXLXML-MRXNPFEDSA-N 0 0 365.389 3.969 50 30 FHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000012868470 220036901 /nfs/dbraw/zinc/03/69/01/220036901.db2.gz NAQFBRXPTWQRQR-UHFFFAOYSA-N 0 0 374.404 3.828 50 30 FHEARN O=C(/C=C/c1cc(Br)ccc1F)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000012924157 220043364 /nfs/dbraw/zinc/04/33/64/220043364.db2.gz ZMXIRPSAPJFRCE-QHHAFSJGSA-N 0 0 361.170 3.654 50 30 FHEARN C=CCOc1ccc(CN(C)Cn2c3ccc(Cl)cc3oc2=O)cc1 ZINC000012925115 220044489 /nfs/dbraw/zinc/04/44/89/220044489.db2.gz DLFZKIVXWTVEAB-UHFFFAOYSA-N 0 0 358.825 3.902 50 30 FHEARN COc1ccc(-c2csc(NC(=O)c3ccncc3)c2C#N)cc1OC ZINC000013328735 220063673 /nfs/dbraw/zinc/06/36/73/220063673.db2.gz OLUVOPUIADYEFZ-UHFFFAOYSA-N 0 0 365.414 3.951 50 30 FHEARN CN1C(=O)C[C@@H](C(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccccc1 ZINC000013423876 220067489 /nfs/dbraw/zinc/06/74/89/220067489.db2.gz GGSYHZSDFMRETD-BAOKRACBSA-N 0 0 373.865 3.930 50 30 FHEARN CSC(=Nc1cccc(SC)c1)NS(=O)(=O)c1ccccc1 ZINC000013466629 220068826 /nfs/dbraw/zinc/06/88/26/220068826.db2.gz JEKOKAFMMQNPPO-UHFFFAOYSA-N 0 0 352.506 3.928 50 30 FHEARN C=CCC1=C[C@](OC)([C@H](C)Cc2ccc3c(c2)OCO3)C(OC)=CC1=O ZINC000013480172 220069847 /nfs/dbraw/zinc/06/98/47/220069847.db2.gz SMOHLDSEWHACKE-SZNDQCEHSA-N 0 0 356.418 3.595 50 30 biogenic,in-vitro FHEARN COc1ccc(/C=C2/CCc3ccccc3C2=O)cc1CN1CCOCC1 ZINC000013545727 220072635 /nfs/dbraw/zinc/07/26/35/220072635.db2.gz BVZSXEHECAAMQQ-RGEXLXHISA-N 0 0 363.457 3.740 50 30 FHEARN COc1ccccc1/C=N/N=C1\S[C@@H](C)C(=O)N1Cc1ccccc1C ZINC000013582699 220077587 /nfs/dbraw/zinc/07/75/87/220077587.db2.gz HFQHTMUNHGXRQL-VORLENPISA-N 0 0 367.474 3.858 50 30 FHEARN N#Cc1cc2c(nc1SCC(=O)Nc1nc3ccccc3s1)CCC2 ZINC000013739369 220092614 /nfs/dbraw/zinc/09/26/14/220092614.db2.gz KAOBLSOSHJTHHZ-UHFFFAOYSA-N 0 0 366.471 3.782 50 30 FHEARN N#Cc1ccc(OCCOC(=O)c2csc(-c3cccs3)n2)cc1 ZINC000014117872 220107404 /nfs/dbraw/zinc/10/74/04/220107404.db2.gz XJXIREQRNNKMKR-UHFFFAOYSA-N 0 0 356.428 3.979 50 30 FHEARN COc1ccccc1-n1c(SCC#N)nc2sc3c(c2c1=O)CCC3 ZINC000014119817 220108065 /nfs/dbraw/zinc/10/80/65/220108065.db2.gz QRLVAMWPEUCMLX-UHFFFAOYSA-N 0 0 369.471 3.560 50 30 FHEARN N#Cc1ccsc1NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000014253610 220121290 /nfs/dbraw/zinc/12/12/90/220121290.db2.gz PWZIWAZNMOIMFL-UHFFFAOYSA-N 0 0 359.414 3.665 50 30 FHEARN N#Cc1c(COC(=O)Cc2csc(-c3ccccn3)n2)cn2ccccc12 ZINC000014853213 220133785 /nfs/dbraw/zinc/13/37/85/220133785.db2.gz JLJMOVQPHCIGRP-UHFFFAOYSA-N 0 0 374.425 3.615 50 30 FHEARN CCc1ccc2c(c1)/C(=C1/S/C(=N\c3ccc(F)cc3)NC1=O)C(=O)N2 ZINC000015015953 220141188 /nfs/dbraw/zinc/14/11/88/220141188.db2.gz LHMZTRJJSMVMBA-NXVVXOECSA-N 0 0 367.405 3.602 50 30 FHEARN COc1cc(C(=O)Oc2ccc(C#N)cc2)cc(OC)c1Br ZINC000015578436 220155786 /nfs/dbraw/zinc/15/57/86/220155786.db2.gz CMWXINSNSSHMBU-UHFFFAOYSA-N 0 0 362.179 3.557 50 30 FHEARN Cc1cccnc1NC(=NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000016474852 220185238 /nfs/dbraw/zinc/18/52/38/220185238.db2.gz HZKZIGMRFUQXCT-UHFFFAOYSA-N 0 0 357.460 3.699 50 30 FHEARN CCCNC1=C(N(C(C)=O)c2ccc(C)cc2)C(=O)c2ccccc2C1=O ZINC000016671161 220191301 /nfs/dbraw/zinc/19/13/01/220191301.db2.gz VGSYAQQLLFNFCM-UHFFFAOYSA-N 0 0 362.429 3.638 50 30 FHEARN CCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(OC)cc1 ZINC000016742394 220191787 /nfs/dbraw/zinc/19/17/87/220191787.db2.gz LVOLYKMFHNDMHV-INIZCTEOSA-N 0 0 357.431 3.745 50 30 FHEARN O=C1N/C(=N\c2ccccc2)S[C@H]1Cc1ccc(Br)cc1 ZINC000017178115 220210552 /nfs/dbraw/zinc/21/05/52/220210552.db2.gz VZJMHUKHRBRCNH-AWEZNQCLSA-N 0 0 361.264 3.911 50 30 FHEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COc1ccc([N+](=O)[O-])cc1 ZINC000017951366 220220275 /nfs/dbraw/zinc/22/02/75/220220275.db2.gz HZVGNEJLDNQLRC-UNOMPAQXSA-N 0 0 352.390 3.854 50 30 FHEARN O=S(=O)(N=C(NC1CCCCC1)c1ccccc1)c1ccc(F)cc1 ZINC000018066196 220221806 /nfs/dbraw/zinc/22/18/06/220221806.db2.gz CGEUBRPYBXSXBP-UHFFFAOYSA-N 0 0 360.454 3.884 50 30 FHEARN O=C1CCCC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)c1cc3c(cc1N2)OCO3 ZINC000018196719 220228048 /nfs/dbraw/zinc/22/80/48/220228048.db2.gz IBGKJJIBRYRAPT-IBGZPJMESA-N 0 0 364.357 3.888 50 30 FHEARN CC(C)c1ccccc1NC(=O)[C@@H](C)Sc1nc(N)c(C#N)cc1C#N ZINC000018435200 220232214 /nfs/dbraw/zinc/23/22/14/220232214.db2.gz HFKGRZFJUZNSHV-GFCCVEGCSA-N 0 0 365.462 3.650 50 30 FHEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC ZINC000019315219 220249330 /nfs/dbraw/zinc/24/93/30/220249330.db2.gz GMMXRBKMKLBEGT-GOSISDBHSA-N 0 0 355.434 3.616 50 30 FHEARN COc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CCC2 ZINC000019315071 220249746 /nfs/dbraw/zinc/24/97/46/220249746.db2.gz INJIMHDRRDUDFB-LJQANCHMSA-N 0 0 355.434 3.615 50 30 FHEARN CCc1c(C#N)c(N)nc(SCC(=O)c2ccc(C)cc2C)c1C#N ZINC000019337983 220251265 /nfs/dbraw/zinc/25/12/65/220251265.db2.gz WOABMGZAIIESDU-UHFFFAOYSA-N 0 0 350.447 3.561 50 30 FHEARN CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccncc2)C2=C(CCCC2=O)N1 ZINC000019855502 220300766 /nfs/dbraw/zinc/30/07/66/220300766.db2.gz DUUKPEWHSGOATK-LJQANCHMSA-N 0 0 352.434 3.535 50 30 FHEARN Cc1c2sc3c(c2nc(N)c1C#N)[C@H](c1ccc(F)cc1)CC(=O)N3 ZINC000020029526 220309005 /nfs/dbraw/zinc/30/90/05/220309005.db2.gz ZCRVHSPMHWSJDQ-NSHDSACASA-N 0 0 352.394 3.672 50 30 FHEARN C[C@@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccnc1)O2 ZINC000020533500 220330486 /nfs/dbraw/zinc/33/04/86/220330486.db2.gz VQPIQPNNLWOARI-AXLWCPOOSA-N 0 0 350.418 3.778 50 30 FHEARN C[C@@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccncc1)O2 ZINC000020504062 220330782 /nfs/dbraw/zinc/33/07/82/220330782.db2.gz YEKOVBDKFFIYOR-VCRXTVNUSA-N 0 0 350.418 3.778 50 30 FHEARN C[C@@]1(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1(Cl)Cl ZINC000021143940 220353972 /nfs/dbraw/zinc/35/39/72/220353972.db2.gz JCYKOBRSXKENGF-ZDUSSCGKSA-N 0 0 350.167 3.757 50 30 FHEARN N#Cc1cccc(NS(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)c1 ZINC000021033736 220349071 /nfs/dbraw/zinc/34/90/71/220349071.db2.gz SKYSGVTUHMQNPL-UHFFFAOYSA-N 0 0 365.414 3.891 50 30 FHEARN COc1ccc(-n2c(Nc3ccc(CC#N)cc3)c3[nH]cccc-3c2=O)cc1 ZINC000021106257 220350950 /nfs/dbraw/zinc/35/09/50/220350950.db2.gz ASRYZOZIVYLKRG-OAQYLSRUSA-N 0 0 370.412 3.927 50 30 FHEARN C=CCc1ccc(OC[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c(OC)c1 ZINC000021559668 220360799 /nfs/dbraw/zinc/36/07/99/220360799.db2.gz OZTNFDXKQPJUST-SFHVURJKSA-N 0 0 366.461 3.830 50 30 FHEARN N#Cc1ccc(CN2CCN(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)cc1 ZINC000022432119 220387413 /nfs/dbraw/zinc/38/74/13/220387413.db2.gz FNPGWPWHZRSXGU-JOCHJYFZSA-N 0 0 374.488 3.537 50 30 FHEARN CN(C)C(=O)O[C@@H]1C=CC(=O)[C@](C)(c2ccc(-c3ccccc3)cc2)O1 ZINC000033815024 220749389 /nfs/dbraw/zinc/74/93/89/220749389.db2.gz TYYVMWTWMVOKBB-FPOVZHCZSA-N 0 0 351.402 3.749 50 30 FHEARN CN(C)C(=O)O[C@H]1C=CC(=O)[C@@](C)(c2ccc(-c3ccccc3)cc2)O1 ZINC000033815023 220749724 /nfs/dbraw/zinc/74/97/24/220749724.db2.gz TYYVMWTWMVOKBB-TZIWHRDSSA-N 0 0 351.402 3.749 50 30 FHEARN C=CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1nccs1 ZINC000044085672 220951803 /nfs/dbraw/zinc/95/18/03/220951803.db2.gz OZTFYAZALFUPNL-UHFFFAOYSA-N 0 0 356.476 3.923 50 30 FHEARN C=CCn1c2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2sc1=O ZINC000046017724 220979914 /nfs/dbraw/zinc/97/99/14/220979914.db2.gz VNFSGNPMYGSEPX-UHFFFAOYSA-N 0 0 374.487 3.667 50 30 FHEARN CC[C@@H]1c2ccsc2CCN1C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000046710634 220985237 /nfs/dbraw/zinc/98/52/37/220985237.db2.gz BPZNEDJBHQIHAJ-GOSISDBHSA-N 0 0 370.522 3.944 50 30 FHEARN C=CCN(Cc1ccc(C)s1)C(=O)c1cc(-c2cnn(C)c2C)on1 ZINC000055088708 221058914 /nfs/dbraw/zinc/05/89/14/221058914.db2.gz NSCUGYVURRIVTR-UHFFFAOYSA-N 0 0 356.451 3.582 50 30 FHEARN N#Cc1cc(F)cc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2)c1 ZINC000055271537 221064764 /nfs/dbraw/zinc/06/47/64/221064764.db2.gz UAAYIJPRJZUFDI-UHFFFAOYSA-N 0 0 354.772 3.848 50 30 FHEARN CN1N=C(c2ccc3c(c2)CCC(=O)N3)CS/C1=N\Cc1ccccc1 ZINC000054359289 221053071 /nfs/dbraw/zinc/05/30/71/221053071.db2.gz FRZILXHSWBZFEQ-MRCUWXFGSA-N 0 0 364.474 3.510 50 30 FHEARN C[C@H](CCc1ccc(Br)cc1)NC(=O)N1CCC(C#N)CC1 ZINC000058209789 221106918 /nfs/dbraw/zinc/10/69/18/221106918.db2.gz LXFYVEZXGKKYIO-CYBMUJFWSA-N 0 0 364.287 3.715 50 30 FHEARN CCOC(=O)c1nn(-c2ccccc2)cc1/C=C1/Cc2c(cccc2O)C1=O ZINC000059324531 221125758 /nfs/dbraw/zinc/12/57/58/221125758.db2.gz SJYNMCMGWWEEQW-KAMYIIQDSA-N 0 0 374.396 3.577 50 30 FHEARN COc1cn(-c2ccccc2)nc1C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000060915436 221133433 /nfs/dbraw/zinc/13/34/33/221133433.db2.gz AJKIQEMIPFVLJO-UHFFFAOYSA-N 0 0 364.430 3.555 50 30 FHEARN Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC12CC3CC(CC(C3)C1)C2 ZINC000060943836 221133574 /nfs/dbraw/zinc/13/35/74/221133574.db2.gz SLOZMAPGHXRYDK-UHFFFAOYSA-N 0 0 368.477 3.556 50 30 FHEARN COc1cc(CN(C)C(=O)NCc2cccc(C#N)c2)ccc1SC ZINC000058279080 221112640 /nfs/dbraw/zinc/11/26/40/221112640.db2.gz WJFZVNVBSKDMLQ-UHFFFAOYSA-N 0 0 355.463 3.630 50 30 FHEARN Cc1c(C(=O)/C=C/c2cccc3c2OCCCO3)nnn1-c1ccccc1 ZINC000058380523 221116866 /nfs/dbraw/zinc/11/68/66/221116866.db2.gz WPLBZMICUQRFHN-VAWYXSNFSA-N 0 0 361.401 3.633 50 30 FHEARN Cc1ccc([C@]2(O)c3ccccc3N(Cc3ccc(C#N)cc3)C2=O)cc1 ZINC000065155138 221173644 /nfs/dbraw/zinc/17/36/44/221173644.db2.gz NOQQZWSIRPUQQP-QHCPKHFHSA-N 0 0 354.409 3.649 50 30 FHEARN C=CCNc1ccccc1C(=O)N1CCC[C@H]1c1ccc(C(=O)NC)s1 ZINC000065397500 221210584 /nfs/dbraw/zinc/21/05/84/221210584.db2.gz HDLRWAVQMGXGHY-INIZCTEOSA-N 0 0 369.490 3.683 50 30 FHEARN N#Cc1ccc(-n2cccc2-c2c(-c3ccccc3)ncn2CCO)cc1 ZINC000065452942 221220321 /nfs/dbraw/zinc/22/03/21/221220321.db2.gz GMKPXLNBLMLOGD-UHFFFAOYSA-N 0 0 354.413 3.872 50 30 FHEARN OCCC#Cc1ccc(-c2c(-c3ccccc3)ncn2Cc2ccon2)cc1 ZINC000065526555 221229874 /nfs/dbraw/zinc/22/98/74/221229874.db2.gz VFACJAFYCIBASX-UHFFFAOYSA-N 0 0 369.424 3.987 50 30 FHEARN CCNc1ncc(-c2cc(-c3cc(C)sc3C)nc(N)c2C#N)cn1 ZINC000067650413 221266969 /nfs/dbraw/zinc/26/69/69/221266969.db2.gz NNCKVYHAJYXLCR-UHFFFAOYSA-N 0 0 350.451 3.770 50 30 FHEARN N#Cc1c(N)nc(-c2ccc(O)cc2)cc1-c1cccc(-n2cccn2)c1 ZINC000067696282 221274002 /nfs/dbraw/zinc/27/40/02/221274002.db2.gz UUIVLHWLIPDOSN-UHFFFAOYSA-N 0 0 353.385 3.761 50 30 FHEARN COc1cc2c(cc1-c1cc(C3CCC3)nc(N)c1C#N)OCCCO2 ZINC000067841705 221291909 /nfs/dbraw/zinc/29/19/09/221291909.db2.gz ALVODEOGAADHAI-UHFFFAOYSA-N 0 0 351.406 3.640 50 30 FHEARN N#Cc1c(N)nc(-c2cccc(O)c2)cc1-c1cccn1-c1ccccn1 ZINC000067868144 221296773 /nfs/dbraw/zinc/29/67/73/221296773.db2.gz QOYXRUYJURJNRE-UHFFFAOYSA-N 0 0 353.385 3.761 50 30 FHEARN N#Cc1c(Cl)nsc1NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 ZINC000068999841 221320374 /nfs/dbraw/zinc/32/03/74/221320374.db2.gz CRFCCDQOMPWFNB-VIFPVBQESA-N 0 0 354.813 3.885 50 30 FHEARN CS(=O)(=O)Nc1ccccc1C(=O)/C=C/c1ccc2ncccc2c1 ZINC000069383011 221325347 /nfs/dbraw/zinc/32/53/47/221325347.db2.gz BYVXUYYKJFMYLX-PKNBQFBNSA-N 0 0 352.415 3.502 50 30 FHEARN Cc1nn(C)c(C)c1-c1cc(-c2cccc3cnccc32)c(C#N)c(N)n1 ZINC000071440061 221348717 /nfs/dbraw/zinc/34/87/17/221348717.db2.gz WJYQQBVOIJZZPW-UHFFFAOYSA-N 0 0 354.417 3.768 50 30 FHEARN COc1ccc(Cl)c(-c2c(C#N)c(N)nc3c2[C@H]2CC[C@@H](C3)N2C)c1F ZINC000071479702 221350780 /nfs/dbraw/zinc/35/07/80/221350780.db2.gz HGDVIEZTLSJKLR-TVQRCGJNSA-N 0 0 372.831 3.695 50 30 FHEARN N#Cc1c(N)nc(-c2cnn(-c3cccc(Cl)c3)c2)cc1[C@@H]1CCOC1 ZINC000071745983 221358420 /nfs/dbraw/zinc/35/84/20/221358420.db2.gz NWYFGOXYLMSDKW-GFCCVEGCSA-N 0 0 365.824 3.545 50 30 FHEARN Cc1nn(C)cc1-c1cc(-c2c(C)ccc3ncccc32)c(C#N)c(N)n1 ZINC000071747048 221359176 /nfs/dbraw/zinc/35/91/76/221359176.db2.gz PDFCFRIQSGGBBY-UHFFFAOYSA-N 0 0 354.417 3.768 50 30 FHEARN N#Cc1c(N)nc(-c2c[nH]c3ccccc32)cc1-c1ccc(OCCO)cc1 ZINC000071757188 221366713 /nfs/dbraw/zinc/36/67/13/221366713.db2.gz DYGXOSLRQICTOH-UHFFFAOYSA-N 0 0 370.412 3.722 50 30 FHEARN N#Cc1cc(F)c(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(F)c1 ZINC000089762084 132200424 /nfs/dbraw/zinc/20/04/24/132200424.db2.gz HHSBAKDBWDHTGU-CQSZACIVSA-N 0 0 357.408 3.538 50 30 FHEARN Cc1csc([C@@H]2CN(c3ccc(C#N)cc3Br)CCO2)n1 ZINC000170590988 132264229 /nfs/dbraw/zinc/26/42/29/132264229.db2.gz AWJILMHBRWDUEU-AWEZNQCLSA-N 0 0 364.268 3.664 50 30 FHEARN Fc1ccc(Br)cc1/C=N/N1CCN(c2ccccc2)CC1 ZINC000000946817 132379316 /nfs/dbraw/zinc/37/93/16/132379316.db2.gz HUHAMCGVFNDYKJ-DEDYPNTBSA-N 0 0 362.246 3.744 50 30 FHEARN CCOc1cccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)c1O ZINC000000945580 132379330 /nfs/dbraw/zinc/37/93/30/132379330.db2.gz YMCJITJIFZEYKQ-KGENOOAVSA-N 0 0 359.857 3.600 50 30 FHEARN CS(=O)(=O)Nc1ccccc1C(=O)/C=C\c1ccc2ncccc2c1 ZINC000096265985 222106382 /nfs/dbraw/zinc/10/63/82/222106382.db2.gz BYVXUYYKJFMYLX-LUAWRHEFSA-N 0 0 352.415 3.502 50 30 FHEARN CN(C)/C=C(\C(=O)C(F)(F)F)c1snc(-c2ccccc2)c1C#N ZINC000096319550 222115309 /nfs/dbraw/zinc/11/53/09/222115309.db2.gz QHDAIEVZHWKBMC-XFXZXTDPSA-N 0 0 351.353 3.716 50 30 FHEARN COC(=O)c1cc(/C=C2/S/C(=N/c3c(C)cccc3C)NC2=O)oc1C ZINC000096401382 222119528 /nfs/dbraw/zinc/11/95/28/222119528.db2.gz JDVGJVGNWAXIIA-OQLLNIDSSA-N 0 0 370.430 3.883 50 30 FHEARN CC(C)c1ccc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] ZINC000097993479 222219362 /nfs/dbraw/zinc/21/93/62/222219362.db2.gz FTTGWMYBERLJHK-ZROIWOOFSA-N 0 0 371.414 3.772 50 30 FHEARN COC(=O)c1ccc(/N=C/c2cc(OC)cc(Br)c2O)cc1 ZINC000100280000 222240223 /nfs/dbraw/zinc/24/02/23/222240223.db2.gz ZQSUILDSWGAJQF-GIJQJNRQSA-N 0 0 364.195 3.701 50 30 FHEARN O=C1c2ccccc2N[C@@H](c2ccc(O)cc2)N1/N=C/c1ccc(O)cc1 ZINC000100587056 222248166 /nfs/dbraw/zinc/24/81/66/222248166.db2.gz YTXHYKSCSIKERP-CCULFSDZSA-N 0 0 359.385 3.698 50 30 FHEARN CN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N/c1cccc(Cl)c1 ZINC000102406653 222294654 /nfs/dbraw/zinc/29/46/54/222294654.db2.gz TVJNZWUKDBDYFB-OBAOGOGRSA-N 0 0 373.865 3.930 50 30 FHEARN CCC(Nc1ccc(OC)cc1)=C1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000102537576 222299556 /nfs/dbraw/zinc/29/95/56/222299556.db2.gz KCWCTPCUJBQCRS-JPOGYNCRSA-N 0 0 359.422 3.778 50 30 FHEARN CC/N=C1/S/C(=C\c2cc(Cl)c(OC)c(OC)c2)C(=O)N1CC ZINC000102636726 222302656 /nfs/dbraw/zinc/30/26/56/222302656.db2.gz PBLPJDPIGBTGLS-AFEKCPOISA-N 0 0 354.859 3.669 50 30 FHEARN N#Cc1ccc(NC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)nc1 ZINC000110284852 222482688 /nfs/dbraw/zinc/48/26/88/222482688.db2.gz XNFRZYMDFFZJEP-UHFFFAOYSA-N 0 0 358.188 3.698 50 30 FHEARN COc1cc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C ZINC000004502173 263333695 /nfs/dbraw/zinc/33/36/95/263333695.db2.gz IOKZASXSTAHGFI-AWEZNQCLSA-N 0 0 357.450 3.729 50 30 FHEARN CCOc1ccc(CN=Nc2cc(OC)nc(-c3ccccc3)n2)c(O)c1 ZINC000004595697 263334523 /nfs/dbraw/zinc/33/45/23/263334523.db2.gz HWJWCPLGJCCPBM-FYJGNVAPSA-N 0 0 364.405 3.703 50 30 FHEARN C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000008565369 263355950 /nfs/dbraw/zinc/35/59/50/263355950.db2.gz YRSKPKJWAXSMMS-CQSZACIVSA-N 0 0 371.487 3.674 50 30 FHEARN CCc1cc(S[C@H]2C[C@@H](C)OC2=O)n2c3ccccc3nc2c1C#N ZINC000009115138 263359225 /nfs/dbraw/zinc/35/92/25/263359225.db2.gz ORWAMFQZEGSXRJ-BZNIZROVSA-N 0 0 351.431 3.718 50 30 FHEARN C=CCC1(CC=C)CCCCN1C(=O)c1cn(Cc2ccc(F)cc2)nn1 ZINC000011874717 263368377 /nfs/dbraw/zinc/36/83/77/263368377.db2.gz NJXCAONVMGNPEL-UHFFFAOYSA-N 0 0 368.456 3.983 50 30 FHEARN CCC(=O)O/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(F)c(F)c1 ZINC000020849348 263382590 /nfs/dbraw/zinc/38/25/90/263382590.db2.gz UFCWOUXUSIFDDF-NMWGTECJSA-N 0 0 372.327 3.732 50 30 FHEARN C=CCc1cc(C(=O)N(C)Cc2ccccc2OC)cc(OC)c1OC ZINC000021923018 263384944 /nfs/dbraw/zinc/38/49/44/263384944.db2.gz RGXHGRALBUUWIB-UHFFFAOYSA-N 0 0 355.434 3.713 50 30 FHEARN C=C(C)CN(CC)C(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000057158068 263411755 /nfs/dbraw/zinc/41/17/55/263411755.db2.gz BGNQOEGZMXRMCU-FQEVSTJZSA-N 0 0 350.462 3.972 50 30 FHEARN C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H](C)[C@H]1COc2ccccc21 ZINC000095974326 263430205 /nfs/dbraw/zinc/43/02/05/263430205.db2.gz ZOILYAKJOJOCBF-HNAYVOBHSA-N 0 0 352.409 3.535 50 30 FHEARN C#CCSc1cccc(C(=O)Nc2ccn(-c3ncccc3Cl)n2)c1 ZINC000129763565 263454728 /nfs/dbraw/zinc/45/47/28/263454728.db2.gz 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C=CCn1ncc(-c2nc3c[nH]n(Cc4cccc(Cl)c4)c-3n2)c1C ZINC000020449160 519292320 /nfs/dbraw/zinc/29/23/20/519292320.db2.gz QQTXNQZTLVOZAV-UHFFFAOYSA-N 0 0 352.829 3.819 50 30 FHEARN CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccco1 ZINC000252694713 519368059 /nfs/dbraw/zinc/36/80/59/519368059.db2.gz OUCQPFCLFGZBQQ-ACRUOGEOSA-N 0 0 353.418 3.678 50 30 FHEARN CC(C)c1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(N)=S)cc1 ZINC000019798585 519833979 /nfs/dbraw/zinc/83/39/79/519833979.db2.gz IJKDJLBQSBSZGM-WSDLNYQXSA-N 0 0 363.490 3.830 50 30 FHEARN CCCn1nnnc1/N=C/c1cccc(OCC)c1OCc1ccccc1 ZINC000100384234 519897337 /nfs/dbraw/zinc/89/73/37/519897337.db2.gz CYSPEVKTBKZPFX-KGENOOAVSA-N 0 0 365.437 3.811 50 30 FHEARN CCCCCCC[C@@]1(C)NC(=O)N(CCOc2ccc(C#N)cc2)C1=O ZINC000102792067 520067802 /nfs/dbraw/zinc/06/78/02/520067802.db2.gz XAFNCYACATWAMF-HXUWFJFHSA-N 0 0 357.454 3.608 50 30 FHEARN CCOC(=O)C1=C(Nc2ccccc2)OC(=Cc2cccc(OC)c2)C1=O ZINC000007332303 520537202 /nfs/dbraw/zinc/53/72/02/520537202.db2.gz 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CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O ZINC000009486459 521217196 /nfs/dbraw/zinc/21/71/96/521217196.db2.gz PCRZFCLVBSNMEL-KVMVOAJRSA-N 0 0 352.386 3.942 50 30 FHEARN CCCc1ccc(S(=O)(=O)N/N=C(\C)c2cc(Cl)ccc2O)cc1 ZINC000017075370 521406460 /nfs/dbraw/zinc/40/64/60/521406460.db2.gz XJMVOPVBFHSMPN-XDHOZWIPSA-N 0 0 366.870 3.701 50 30 FHEARN CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1cc(Cl)ccc1OC ZINC000103504716 521544884 /nfs/dbraw/zinc/54/48/84/521544884.db2.gz POPCJYQDDQCTCS-AWEZNQCLSA-N 0 0 372.808 3.708 50 30 FHEARN CN(C)c1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000096765515 522132587 /nfs/dbraw/zinc/13/25/87/522132587.db2.gz FCLNGWDAEHGENV-YHYXMXQVSA-N 0 0 354.425 3.624 50 30 FHEARN COCc1cc(C)nc(N=NCc2cccc(Br)c2)c1C#N ZINC000004750626 522916709 /nfs/dbraw/zinc/91/67/09/522916709.db2.gz PEWITYRUXVQZEA-DJKKODMXSA-N 0 0 359.227 3.617 50 30 FHEARN COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(C)cc1 ZINC000102530986 523277874 /nfs/dbraw/zinc/27/78/74/523277874.db2.gz LOZZUJQLNPUBCN-GROYHEBESA-N 0 0 371.458 3.515 50 30 FHEARN COc1ccc(/C(C)=C/C(C)=NNS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000245239948 523361693 /nfs/dbraw/zinc/36/16/93/523361693.db2.gz NKIBLZAXMSQEPZ-UHEVLXJCSA-N 0 0 358.463 3.761 50 30 FHEARN COc1ccc(/C=C/C(=O)c2ccc(C)s2)cc1CN1CCOCC1 ZINC000035678810 523399647 /nfs/dbraw/zinc/39/96/47/523399647.db2.gz BZZFGEQBOXJZQC-GQCTYLIASA-N 0 0 357.475 3.793 50 30 FHEARN COc1ccc(/C=C/C(=O)c2cnn(C)c2C)cc1Cn1cc(Cl)cn1 ZINC000006921743 523406230 /nfs/dbraw/zinc/40/62/30/523406230.db2.gz UKTSNWVKXQPYHJ-GQCTYLIASA-N 0 0 370.840 3.531 50 30 FHEARN CCn1cnnc1S[C@@H](C)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000096931259 523597691 /nfs/dbraw/zinc/59/76/91/523597691.db2.gz JPPPKNZOHBINCA-MFVBVHDHSA-N 0 0 356.495 3.659 50 30 FHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000004906479 523797186 /nfs/dbraw/zinc/79/71/86/523797186.db2.gz RPMUGDOAZFFYQX-KRWDZBQOSA-N 0 0 371.820 3.565 50 30 FHEARN COc1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)c(OC)c1 ZINC000244893091 523884058 /nfs/dbraw/zinc/88/40/58/523884058.db2.gz YVNKNGTUTNHGAQ-UHFFFAOYSA-N 0 0 373.884 3.509 50 30 FHEARN COc1ccc(CC/N=C2/SCCN2CC(=O)c2ccc(F)cc2)cc1 ZINC000003289629 523914540 /nfs/dbraw/zinc/91/45/40/523914540.db2.gz HKJSYDVEAQQSJB-LSDHQDQOSA-N 0 0 372.465 3.665 50 30 FHEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)Cc1ccccc1F ZINC000018066143 524033665 /nfs/dbraw/zinc/03/36/65/524033665.db2.gz DMWNXAXKLXQETC-MOSHPQCFSA-N 0 0 367.420 3.792 50 30 FHEARN Cc1cccc(C2N=NC(=S)N2N=CC=Cc2ccccc2[N+](=O)[O-])c1 ZINC000002232982 524125743 /nfs/dbraw/zinc/12/57/43/524125743.db2.gz LZCZGJWYJHRGKW-QJEBJFPOSA-N 0 0 365.418 3.998 50 30 FHEARN C[C@]12CC[C@H]3[C@@]45CO[C@@]3(CCC4=CC(=O)CC5)[C@H]1CC[C@H]2C(=O)C1N=N1 ZINC000254815070 525352697 /nfs/dbraw/zinc/35/26/97/525352697.db2.gz BEZPFZAQJHAMRG-FZEOFVTHSA-N 0 0 354.450 3.628 50 30 FHEARN Cc1cccn2c(=O)c(/C=N/Cc3ccco3)c(NCc3ccccc3)nc12 ZINC000100928312 525456751 /nfs/dbraw/zinc/45/67/51/525456751.db2.gz PPNYPQQFOZJVEX-HZHRSRAPSA-N 0 0 372.428 3.827 50 30 FHEARN Cc1c(Cl)cccc1NC(=O)[C@H](C#N)C(=O)COc1ccc(F)cc1 ZINC000103504649 525773919 /nfs/dbraw/zinc/77/39/19/525773919.db2.gz ZMVIJHHRKXTGRH-CQSZACIVSA-N 0 0 360.772 3.514 50 30 FHEARN C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)N(C)C1(C#N)CCCCC1 ZINC000008257631 526011068 /nfs/dbraw/zinc/01/10/68/526011068.db2.gz GMCMAMZPEOVAKE-CYBMUJFWSA-N 0 0 373.526 3.656 50 30 FHEARN COc1cccc(N(CCC#N)C(=O)/C=C/c2cccc(OC)c2OC)c1 ZINC000003356555 526136366 /nfs/dbraw/zinc/13/63/66/526136366.db2.gz BUTUEGBZTTYCFI-VAWYXSNFSA-N 0 0 366.417 3.672 50 30 FHEARN Cc1ccc(C(=O)O/N=C(\c2ccncc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000001211475 526237161 /nfs/dbraw/zinc/23/71/61/526237161.db2.gz ATPXUJLCJRGTIH-QOCHGBHMSA-N 0 0 361.357 3.908 50 30 FHEARN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]2CCC[C@H](C)[C@@H]21 ZINC000106138654 526275163 /nfs/dbraw/zinc/27/51/63/526275163.db2.gz ZSUNPDNTZRFPDR-XERREHJYSA-N 0 0 356.514 3.773 50 30 FHEARN Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]2CCC[C@H](C)[C@H]21 ZINC000106138659 526275288 /nfs/dbraw/zinc/27/52/88/526275288.db2.gz ZSUNPDNTZRFPDR-UQASEVPWSA-N 0 0 356.514 3.773 50 30 FHEARN Oc1ccc(CN=Nc2nc(-c3cccnc3)nc3ccccc32)c(O)c1 ZINC000004981035 526339597 /nfs/dbraw/zinc/33/95/97/526339597.db2.gz JPHGCTKXUXOBSS-WSDLNYQXSA-N 0 0 357.373 3.549 50 30 FHEARN N#Cc1c2nc3ccccc3n2c(N2CCOCC2)cc1-c1ccccc1 ZINC000000638340 526533677 /nfs/dbraw/zinc/53/36/77/526533677.db2.gz KBMQEEMVPMJVMC-UHFFFAOYSA-N 0 0 354.413 3.863 50 30 FHEARN N=C(NOC(=O)c1ccc(-c2ccccc2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000005604528 526808112 /nfs/dbraw/zinc/80/81/12/526808112.db2.gz PQNPQPSNADPHMJ-UHFFFAOYSA-N 0 0 361.357 3.739 50 30 FHEARN NC(=NOCc1ccc(F)cc1Cl)c1ccc(N2CCCCC2)nc1 ZINC000060212857 526812901 /nfs/dbraw/zinc/81/29/01/526812901.db2.gz XZYXVBIMXICKTG-UHFFFAOYSA-N 0 0 362.836 3.702 50 30 FHEARN Cc1nc(SCC(=O)N[C@](C)(C#N)C2CC2)n(C2CCCCC2)c1C ZINC000010870883 527017160 /nfs/dbraw/zinc/01/71/60/527017160.db2.gz NCNYHJVWOSIRMV-LJQANCHMSA-N 0 0 360.527 3.906 50 30 FHEARN O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)OCCCc1ccccc1 ZINC000005773084 527479622 /nfs/dbraw/zinc/47/96/22/527479622.db2.gz KIYULXVYRAYZCY-UHFFFAOYSA-N 0 0 369.804 3.875 50 30 FHEARN CCOC(=O)c1cnc2ccccc2c1N1CCC(CNC(C)=O)CC1 ZINC000050931065 535714816 /nfs/dbraw/zinc/71/48/16/535714816.db2.gz DKRQPKIOEMASOP-UHFFFAOYSA-N 0 0 355.438 3.604 50 30 FHEARN COc1cc(C#N)ccc1OCCCC(=O)N1CCCc2ccccc21 ZINC000040128036 536879129 /nfs/dbraw/zinc/87/91/29/536879129.db2.gz VQJFBCURAQPOGA-UHFFFAOYSA-N 0 0 350.418 3.705 50 30 FHEARN COc1ccc2c(c1)CCCN2C(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000010542570 536969532 /nfs/dbraw/zinc/96/95/32/536969532.db2.gz ODFMXZCXNMIXFP-UHFFFAOYSA-N 0 0 361.401 3.852 50 30 FHEARN O=C(c1ccco1)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1ccco1 ZINC000000796024 568237572 /nfs/dbraw/zinc/23/75/72/568237572.db2.gz WZWXEEOMFQTLAH-SFHVURJKSA-N 0 0 363.369 3.694 50 30 FHEARN N#Cc1ccccc1COc1ccc(C=O)cc1I ZINC000005771241 568248137 /nfs/dbraw/zinc/24/81/37/568248137.db2.gz VDFOHWDPBIMDQD-UHFFFAOYSA-N 0 0 363.154 3.554 50 30 FHEARN C=CCOc1ccc(/C=C2\NC(=S)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000002902349 568422712 /nfs/dbraw/zinc/42/27/12/568422712.db2.gz ZBNWRHIOMGTZMC-AQTBWJFISA-N 0 0 366.442 3.522 50 30 FHEARN N#Cc1ccc(Cc2cnc(NC(=O)Cc3cccc(F)c3)s2)cc1 ZINC000024969840 568527000 /nfs/dbraw/zinc/52/70/00/568527000.db2.gz AHHRQXLCVUTGHQ-UHFFFAOYSA-N 0 0 351.406 3.926 50 30 FHEARN Cc1ncsc1CC[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(C(C)(C)C#N)cc1 ZINC000095501466 570463422 /nfs/dbraw/zinc/46/34/22/570463422.db2.gz BBCDSKCWDPHJAT-QGZVFWFLSA-N 0 0 357.479 3.553 50 30 FHEARN COc1ccc([C@@H]2CCCN2C(=O)CCc2ccc(C#N)cc2)c(OC)c1 ZINC000011584551 570481700 /nfs/dbraw/zinc/48/17/00/570481700.db2.gz JZJRFJSHEKVNQF-FQEVSTJZSA-N 0 0 364.445 3.872 50 30 FHEARN N#Cc1ccccc1NC(=S)N1CCC([C@H](O)c2ccccc2)CC1 ZINC000044103082 570486101 /nfs/dbraw/zinc/48/61/01/570486101.db2.gz ZRWPBWQUBPIGLZ-LJQANCHMSA-N 0 0 351.475 3.701 50 30 FHEARN CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(O)c1 ZINC000002055202 570512368 /nfs/dbraw/zinc/51/23/68/570512368.db2.gz VHZGKMQDEWZMLC-LJQANCHMSA-N 0 0 369.461 3.949 50 30 FHEARN CN(Cc1ccc([S@](C)=O)cc1)c1cc(C#N)ccc1C(F)(F)F ZINC000128040940 570548504 /nfs/dbraw/zinc/54/85/04/570548504.db2.gz MLHOJGCLSFUMGY-XMMPIXPASA-N 0 0 352.381 3.951 50 30 FHEARN COc1ccc(CN2C(=O)[C@H](C)S/C2=N/N=C/c2ccc(C)cc2)cc1 ZINC000004906190 570557868 /nfs/dbraw/zinc/55/78/68/570557868.db2.gz UONTWVWACGFWRX-PJKUKWEASA-N 0 0 367.474 3.858 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1cc(OC)ccc1OC ZINC000004919632 570559582 /nfs/dbraw/zinc/55/95/82/570559582.db2.gz LLOZZLVCMMMTEU-OXQOHEQNSA-N 0 0 370.401 3.616 50 30 FHEARN CCn1c(=O)cc(SCC(=O)Nc2cccc(C#N)c2)c2ccccc21 ZINC000004936684 570563153 /nfs/dbraw/zinc/56/31/53/570563153.db2.gz UJFATGHRBQKLDK-UHFFFAOYSA-N 0 0 363.442 3.624 50 30 FHEARN N#Cc1ccc(Cl)cc1NC(=O)c1cccn(Cc2ccccc2)c1=O ZINC000004940242 570563814 /nfs/dbraw/zinc/56/38/14/570563814.db2.gz XITHVLRQRHCTTI-UHFFFAOYSA-N 0 0 363.804 3.674 50 30 FHEARN C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCC ZINC000003901746 570571016 /nfs/dbraw/zinc/57/10/16/570571016.db2.gz OTOPSFHFGHPMGO-HXUWFJFHSA-N 0 0 367.445 3.782 50 30 FHEARN COc1ccc([C@H]2C[C@H]([C@H]3C(=O)CCC[C@H]3O)C3=C(CCCC3=O)O2)cc1 ZINC000004114496 570576855 /nfs/dbraw/zinc/57/68/55/570576855.db2.gz QRSLYQPONMQITO-IMAQQZIHSA-N 0 0 370.445 3.510 50 30 FHEARN COc1cccc(-c2cc(-c3ccc(NC(C)=O)cc3)c(C#N)c(N)n2)c1 ZINC000033726965 570578972 /nfs/dbraw/zinc/57/89/72/570578972.db2.gz DLYAKOKCXDDUBJ-UHFFFAOYSA-N 0 0 358.401 3.836 50 30 FHEARN Cc1ccc2c(c1)-c1c(cnn1CC(=O)N(CCC#N)c1ccccc1)CO2 ZINC000005083527 570582473 /nfs/dbraw/zinc/58/24/73/570582473.db2.gz DJOXCZMIEMKRSO-UHFFFAOYSA-N 0 0 372.428 3.698 50 30 FHEARN C=CCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C1C(=O)CCCC1=N2 ZINC000004436268 570591188 /nfs/dbraw/zinc/59/11/88/570591188.db2.gz CFDRRFHZZDGURP-KRWDZBQOSA-N 0 0 368.462 3.587 50 30 FHEARN COc1ccc2c(c1)OCC/C2=N\OC(=O)c1cc(F)c(F)cc1Cl ZINC000004471196 570591559 /nfs/dbraw/zinc/59/15/59/570591559.db2.gz GJCDFSGERMKBSE-RCCKNPSSSA-N 0 0 367.735 3.970 50 30 FHEARN N#Cc1ccc(NCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)cc1Cl ZINC000011721700 570593037 /nfs/dbraw/zinc/59/30/37/570593037.db2.gz BJVFZTTXQLXCHD-UHFFFAOYSA-N 0 0 365.723 3.584 50 30 FHEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(O)cc2)C1=O ZINC000004755871 570605702 /nfs/dbraw/zinc/60/57/02/570605702.db2.gz YBSHPQOULVCUQT-PTNGSMBKSA-N 0 0 353.399 3.546 50 30 FHEARN N=C(NOC(=O)c1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000004910020 570613285 /nfs/dbraw/zinc/61/32/85/570613285.db2.gz OPOCLLDRZNJTOJ-UHFFFAOYSA-N 0 0 353.603 3.580 50 30 FHEARN O=C1C[C@@H](c2cccc(F)c2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004914733 570614076 /nfs/dbraw/zinc/61/40/76/570614076.db2.gz ACQSSVHQYWANGK-YOEHRIQHSA-N 0 0 353.368 3.969 50 30 FHEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc2c(c1)OCO2 ZINC000004952978 570614871 /nfs/dbraw/zinc/61/48/71/570614871.db2.gz ZCRWQHVZMPEJJN-FBCYGCLPSA-N 0 0 353.256 3.788 50 30 FHEARN Cc1ccc(N2CCN(/N=C\c3ccccc3Br)CC2)cc1 ZINC000005009174 570617937 /nfs/dbraw/zinc/61/79/37/570617937.db2.gz KIQNNUSCZRBCCL-ZHZULCJRSA-N 0 0 358.283 3.914 50 30 FHEARN Cn1cccc1/C=C1\S/C(=N/c2cccc(C(F)(F)F)c2)NC1=O ZINC000005163769 570619205 /nfs/dbraw/zinc/61/92/05/570619205.db2.gz BRHSBBGXEPHUSG-LCYFTJDESA-N 0 0 351.353 3.936 50 30 FHEARN O=C(/C=C/c1ccc([N+](=O)[O-])o1)c1ccc(I)cc1 ZINC000005061655 570620465 /nfs/dbraw/zinc/62/04/65/570620465.db2.gz KYRLMIXZFNCBMW-FNORWQNLSA-N 0 0 369.114 3.689 50 30 FHEARN Cc1ccc(C=NNc2nn3c(=O)c4ccccc4nc3c3ccccc23)o1 ZINC000252642370 570624662 /nfs/dbraw/zinc/62/46/62/570624662.db2.gz ZLKLQCGUSPQRKF-UHFFFAOYSA-N 0 0 369.384 3.743 50 30 FHEARN CC(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O ZINC000005195988 570631577 /nfs/dbraw/zinc/63/15/77/570631577.db2.gz URJDNBZXLYUHQV-PXNMLYILSA-N 0 0 359.175 3.991 50 30 FHEARN N#Cc1cccc2c1-c1ccccc1/C2=N/N1CCN(c2ccccn2)CC1 ZINC000005777956 570635493 /nfs/dbraw/zinc/63/54/93/570635493.db2.gz QKALFFBGZUEIQT-RWEWTDSWSA-N 0 0 365.440 3.508 50 30 FHEARN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccs1)c1ccccc1 ZINC000005813886 570636446 /nfs/dbraw/zinc/63/64/46/570636446.db2.gz IOXGVXUFBAOZPS-KRWDZBQOSA-N 0 0 362.410 3.926 50 30 FHEARN C=CCn1c(SCC)nc2sc3c(c2c1=O)C[C@](C)(CC)OC3 ZINC000002346596 570644137 /nfs/dbraw/zinc/64/41/37/570644137.db2.gz XUAVTDZZZIHFQT-KRWDZBQOSA-N 0 0 350.509 3.997 50 30 FHEARN Cc1nnc(SCC(=O)Nc2sccc2C#N)n1-c1cccc(C)c1 ZINC000005357849 570649149 /nfs/dbraw/zinc/64/91/49/570649149.db2.gz YEGIJXWXRGIPIO-UHFFFAOYSA-N 0 0 369.475 3.548 50 30 FHEARN O=C(C=C1NCCc2cc3c(cc21)OCO3)c1ccc(C(F)(F)F)cc1 ZINC000005421159 570654696 /nfs/dbraw/zinc/65/46/96/570654696.db2.gz HLXRAMJFRKLEOB-DHDCSXOGSA-N 0 0 361.319 3.804 50 30 FHEARN C[C@@H](Oc1ccc(Cl)cc1)C(=O)C=C1NCCc2cc3c(cc21)OCO3 ZINC000005450822 570657994 /nfs/dbraw/zinc/65/79/94/570657994.db2.gz UJCGBDPJLSMZIE-HJPCULJESA-N 0 0 371.820 3.592 50 30 FHEARN CC(C)COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 ZINC000004332772 570667505 /nfs/dbraw/zinc/66/75/05/570667505.db2.gz WHCOCQYMLVKUHT-HNNXBMFYSA-N 0 0 366.417 3.777 50 30 FHEARN O=C1C[C@H](c2ccco2)CC2=Nc3ncnn3[C@@H](c3cc(F)cc(F)c3)C12 ZINC000008743661 570687191 /nfs/dbraw/zinc/68/71/91/570687191.db2.gz XOMIKTJMVYGCFX-MGNBDDOMSA-N 0 0 368.343 3.565 50 30 FHEARN O=C1C[C@@H](c2ccco2)CC2=Nc3ncnn3[C@@H](c3ccccc3Cl)C12 ZINC000009483822 570696040 /nfs/dbraw/zinc/69/60/40/570696040.db2.gz TUGZBJLXSWEOBG-VOJFVSQTSA-N 0 0 366.808 3.940 50 30 FHEARN C[C@H](Sc1nc2ccccc2n1CCC#N)C(=O)NC1CCCCC1 ZINC000012629820 570754689 /nfs/dbraw/zinc/75/46/89/570754689.db2.gz FFZXTWZODONBGX-AWEZNQCLSA-N 0 0 356.495 3.879 50 30 FHEARN C[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)c1cccc(Cl)c1 ZINC000012974757 570769753 /nfs/dbraw/zinc/76/97/53/570769753.db2.gz HJZGHDCDIQCUGY-GFCCVEGCSA-N 0 0 370.792 3.620 50 30 FHEARN O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCC(F)(F)C(F)F ZINC000005172985 570775331 /nfs/dbraw/zinc/77/53/31/570775331.db2.gz FVOCXBGSEWEADY-UHFFFAOYSA-N 0 0 365.161 3.834 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccnc1 ZINC000013285516 570775856 /nfs/dbraw/zinc/77/58/56/570775856.db2.gz YDTNWHPMAHEXLA-UTKZUKDTSA-N 0 0 374.440 3.616 50 30 FHEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccn2)C2=C(CC(C)(C)CC2=O)N1 ZINC000013285520 570776220 /nfs/dbraw/zinc/77/62/20/570776220.db2.gz VFYGBBGWINROOO-IBGZPJMESA-N 0 0 354.450 3.637 50 30 FHEARN CC(C)[C@@H](Nc1ncc([N+](=O)[O-])cc1C#N)c1ccc2c(c1)OCCCO2 ZINC000032808485 570805864 /nfs/dbraw/zinc/80/58/64/570805864.db2.gz RQTPLNPFLBSZPW-GOSISDBHSA-N 0 0 368.393 3.832 50 30 FHEARN N#Cc1c(N)sc2c1CCN(c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C2 ZINC000018175299 570813924 /nfs/dbraw/zinc/81/39/24/570813924.db2.gz NVTROOUIRKANFI-UHFFFAOYSA-N 0 0 368.340 3.692 50 30 FHEARN Cc1ccc(/C=C2\S/C(=N\n3cnnc3)N(c3ccccc3)C2=O)cc1 ZINC000005698439 570817585 /nfs/dbraw/zinc/81/75/85/570817585.db2.gz PFUKITCBJOTLHX-BBBBUXBTSA-N 0 0 361.430 3.527 50 30 FHEARN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)Cc1cccc(Cl)c1Cl ZINC000032832134 570818905 /nfs/dbraw/zinc/81/89/05/570818905.db2.gz UWTAFYJQTNKADF-PXAZEXFGSA-N 0 0 356.297 3.868 50 30 FHEARN CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)c1csc2c1CCCC2 ZINC000102145098 570827747 /nfs/dbraw/zinc/82/77/47/570827747.db2.gz LLOXBHWGJNTIKI-CQSZACIVSA-N 0 0 368.458 3.987 50 30 FHEARN CCN(CC)S(=O)(=O)c1ccc(C)c(NCc2ccccc2C#N)c1 ZINC000032903128 570842664 /nfs/dbraw/zinc/84/26/64/570842664.db2.gz IPSGIZQFFWQMCB-UHFFFAOYSA-N 0 0 357.479 3.509 50 30 FHEARN CCOc1ccccc1/C=C1/Oc2cc(OC(=O)N(C)C)ccc2C1=O ZINC000103022275 570842950 /nfs/dbraw/zinc/84/29/50/570842950.db2.gz OWETZVNUMCEEBL-WOJGMQOQSA-N 0 0 353.374 3.762 50 30 FHEARN C#CCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)[C@H]1CCc2ccccc21 ZINC000047406003 570887439 /nfs/dbraw/zinc/88/74/39/570887439.db2.gz FQEQAMANRUGHQP-FQEVSTJZSA-N 0 0 364.401 3.584 50 30 FHEARN Cc1ccccc1C(=O)N/C(=N/c1cccc(F)c1)NCc1ccncc1 ZINC000045940185 570915025 /nfs/dbraw/zinc/91/50/25/570915025.db2.gz QIAFIDWCHDZMPI-UHFFFAOYSA-N 0 0 362.408 3.736 50 30 FHEARN Cc1ccc(NC(=NC(=O)c2cccc(F)c2)NCc2ccccn2)cc1 ZINC000046125775 570926673 /nfs/dbraw/zinc/92/66/73/570926673.db2.gz QRUPDUCJSGDKAL-UHFFFAOYSA-N 0 0 362.408 3.927 50 30 FHEARN COc1cccc(C(=O)N=C(NCc2ccccn2)Nc2ccc(C)cc2)c1 ZINC000046125783 570926680 /nfs/dbraw/zinc/92/66/80/570926680.db2.gz BKUOURGODVOERR-UHFFFAOYSA-N 0 0 374.444 3.797 50 30 FHEARN CCOc1ccc(NC(=NC(=O)c2ccccc2)NCc2cccnc2)cc1 ZINC000046127110 570927083 /nfs/dbraw/zinc/92/70/83/570927083.db2.gz JAEATVDIMBHATD-UHFFFAOYSA-N 0 0 374.444 3.878 50 30 FHEARN Cc1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccccc2C)c1 ZINC000046129284 570927612 /nfs/dbraw/zinc/92/76/12/570927612.db2.gz ONYOYSGZAMENCD-SFHVURJKSA-N 0 0 351.450 3.680 50 30 FHEARN Cc1ccc(C)c(NC(=NC(=O)c2ccccc2)NC[C@@H]2CCCO2)c1 ZINC000046130155 570928064 /nfs/dbraw/zinc/92/80/64/570928064.db2.gz WZCOZVIKKUTQAG-SFHVURJKSA-N 0 0 351.450 3.680 50 30 FHEARN Cc1cccc(NC(=NC(=O)c2ccc(F)cc2)NC[C@H]2CCCO2)c1 ZINC000046130496 570928103 /nfs/dbraw/zinc/92/81/03/570928103.db2.gz 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570996969 /nfs/dbraw/zinc/99/69/69/570996969.db2.gz QKOXQGWDEGCSFT-UHFFFAOYSA-N 0 0 356.361 3.532 50 30 FHEARN Cc1ccc(/N=C2/NC(=O)/C(=C3\c4ccccc4N(C)C3=O)S2)c(C)c1 ZINC000008410564 571045746 /nfs/dbraw/zinc/04/57/46/571045746.db2.gz SELFGWBGKYMBHU-MSUUIHNZSA-N 0 0 363.442 3.542 50 30 FHEARN C=CCn1cc([C@H]2c3[nH]cnc3CCN2Cc2ccc(C)c(F)c2C)cn1 ZINC000072409755 571053754 /nfs/dbraw/zinc/05/37/54/571053754.db2.gz RVIJNZBHMUXYDJ-NRFANRHFSA-N 0 0 365.456 3.696 50 30 FHEARN CSc1nc2ccc(NS(=O)(=O)c3cccc(C#N)c3)cc2s1 ZINC000008705633 571055907 /nfs/dbraw/zinc/05/59/07/571055907.db2.gz BFMWDLKKUQGTBP-UHFFFAOYSA-N 0 0 361.473 3.691 50 30 FHEARN COc1ccc(F)cc1C(=O)[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000055153329 571058084 /nfs/dbraw/zinc/05/80/84/571058084.db2.gz MGUVVMSWABHOJR-GOSISDBHSA-N 0 0 351.421 3.781 50 30 FHEARN COCCn1c(SCCC#N)nc2sc(-c3ccccc3)cc2c1=O ZINC000008757248 571060342 /nfs/dbraw/zinc/06/03/42/571060342.db2.gz CAXQBVUERDGLMH-UHFFFAOYSA-N 0 0 371.487 3.777 50 30 FHEARN CCOc1ccc2c(c1)O/C(=C\c1ccc(O[C@@H](C)C(=O)OC)cc1)C2=O ZINC000008823713 571062413 /nfs/dbraw/zinc/06/24/13/571062413.db2.gz LGSCXLBKSPHQMC-JFENUBAZSA-N 0 0 368.385 3.642 50 30 FHEARN Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3ccc(C#N)c(Cl)n3)nc2c1 ZINC000225803663 571067667 /nfs/dbraw/zinc/06/76/67/571067667.db2.gz GCTCFKRAAYOXBB-MRXNPFEDSA-N 0 0 365.824 3.769 50 30 FHEARN COc1cc(C#N)ccc1OCCCC(=O)Nc1sc(C)c(C)c1C#N ZINC000040129059 571081792 /nfs/dbraw/zinc/08/17/92/571081792.db2.gz WEKJDUSGYQVERA-UHFFFAOYSA-N 0 0 369.446 3.915 50 30 FHEARN N#Cc1cc2c(n(-c3cccc(F)c3)c1=O)C[C@@H](c1ccccc1)CC2=O ZINC000032985428 571082862 /nfs/dbraw/zinc/08/28/62/571082862.db2.gz RPPBNIMCRQSSPE-OAHLLOKOSA-N 0 0 358.372 3.761 50 30 FHEARN O=C1CCCN1c1ccc(-c2csc(N=NCc3ccccn3)n2)cc1 ZINC000245266189 571095951 /nfs/dbraw/zinc/09/59/51/571095951.db2.gz JBOUYVGPDZOTQS-UHFFFAOYSA-N 0 0 363.446 3.778 50 30 FHEARN S=C1N=NC(c2cc(-c3ccccc3)n[nH]2)N1N=CC=Cc1ccco1 ZINC000009242593 571102183 /nfs/dbraw/zinc/10/21/83/571102183.db2.gz HSOJQQIHMCCHMP-MOPJDAFUSA-N 0 0 362.418 3.764 50 30 FHEARN C#CCOc1ccc(/C=C2\C(=O)N(c3cccc(F)c3)N=C2C)cc1OC ZINC000004656236 571102422 /nfs/dbraw/zinc/10/24/22/571102422.db2.gz KBKOKGJAOJBZHZ-WQRHYEAKSA-N 0 0 364.376 3.652 50 30 FHEARN C#CCOc1ccc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)cc1OC ZINC000005675515 571103027 /nfs/dbraw/zinc/10/30/27/571103027.db2.gz STHSOGPQFSGCGR-MNCUKKGWSA-N 0 0 359.381 3.717 50 30 FHEARN CC(=O)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@@H]1C)C2=O ZINC000009303026 571103821 /nfs/dbraw/zinc/10/38/21/571103821.db2.gz MDFDEFGCSPMYBK-YYLUKMIBSA-N 0 0 362.381 3.978 50 30 FHEARN C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(OCC)cc1 ZINC000007759719 571104669 /nfs/dbraw/zinc/10/46/69/571104669.db2.gz PDEOPKSLHSWHIT-UHFFFAOYSA-N 0 0 363.417 3.964 50 30 FHEARN O=C1C[C@H](c2ccccc2)CC2=Nc3ncnn3[C@@H](c3ccccc3F)C12 ZINC000009361191 571106482 /nfs/dbraw/zinc/10/64/82/571106482.db2.gz DCOSWCVEFAJWSB-VLIAUNLRSA-N 0 0 360.392 3.833 50 30 FHEARN COc1ccccc1-n1c2ccc([N+](=O)[O-])cc2nc1SCCC#N ZINC000005355422 571113307 /nfs/dbraw/zinc/11/33/07/571113307.db2.gz APWHIVDJKXMSIZ-UHFFFAOYSA-N 0 0 354.391 3.948 50 30 FHEARN N#Cc1ccc(OCCOC(=O)c2cccnc2Oc2ccccc2)cc1 ZINC000041863836 571116736 /nfs/dbraw/zinc/11/67/36/571116736.db2.gz FYYWJQLTADWOOO-UHFFFAOYSA-N 0 0 360.369 3.981 50 30 FHEARN CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1ncnc2sc3c(c21)CCC3 ZINC000006112722 571122110 /nfs/dbraw/zinc/12/21/10/571122110.db2.gz JYCAGUNQAAVLQC-ZMZPIMSZSA-N 0 0 374.535 3.715 50 30 FHEARN C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccco1 ZINC000000719743 571122982 /nfs/dbraw/zinc/12/29/82/571122982.db2.gz ZEYHPNOQSATZAE-UHFFFAOYSA-N 0 0 372.425 3.902 50 30 FHEARN C[C@@H](C#N)CN(C)C(=O)Nc1cccc(COc2ccc3c(c2)OCO3)c1 ZINC000058356290 571131277 /nfs/dbraw/zinc/13/12/77/571131277.db2.gz NPAJQTPPVTUXNI-AWEZNQCLSA-N 0 0 367.405 3.618 50 30 FHEARN CN(C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)C1(C#N)CCC1 ZINC000058414449 571132591 /nfs/dbraw/zinc/13/25/91/571132591.db2.gz FFSLLMQDXGZJMK-HXUWFJFHSA-N 0 0 358.445 3.899 50 30 FHEARN CCOc1cc(/C=N/n2cnnc2SCc2ccccc2)ccc1O ZINC000000940342 571135246 /nfs/dbraw/zinc/13/52/46/571135246.db2.gz JVLWYOLNQZUETR-RGVLZGJSSA-N 0 0 354.435 3.557 50 30 FHEARN C=CCOc1ccc(/C=C\C(=O)OCC(=O)NCC2CCCCC2)cc1 ZINC000096450165 571138734 /nfs/dbraw/zinc/13/87/34/571138734.db2.gz PIMHVWORKHBZAK-RAXLEYEMSA-N 0 0 357.450 3.504 50 30 FHEARN C[C@@H](Sc1nnc(CC2CCCC2)[nH]1)C(=O)Nc1sccc1C#N ZINC000025244647 571141887 /nfs/dbraw/zinc/14/18/87/571141887.db2.gz WDJBEUYPVBZFJZ-SNVBAGLBSA-N 0 0 361.496 3.590 50 30 FHEARN C#CCOc1ccc(NC(=O)c2cc(CC=C)c(OC)c(OC)c2)cc1 ZINC000078568148 571141943 /nfs/dbraw/zinc/14/19/43/571141943.db2.gz PSNCQODJMQDNSP-UHFFFAOYSA-N 0 0 351.402 3.697 50 30 FHEARN COc1ccccc1[C@@H]1[C@@H]2CCCC=C2c2c(N)snc2C1(C#N)C#N ZINC000001021800 571143739 /nfs/dbraw/zinc/14/37/39/571143739.db2.gz BITYIZZJQLXRGJ-DYVFJYSZSA-N 0 0 362.458 4.000 50 30 FHEARN CCOc1cc(CO)c(Br)cc1OCc1ccccc1C#N ZINC000001139554 571147735 /nfs/dbraw/zinc/14/77/35/571147735.db2.gz 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N#Cc1ccc(-n2ccc(NC(=O)c3ccccc3Br)n2)cc1 ZINC000034909398 571169499 /nfs/dbraw/zinc/16/94/99/571169499.db2.gz SKODFJJDOXQHKN-UHFFFAOYSA-N 0 0 367.206 3.759 50 30 FHEARN C[C@@H]1CCc2sc(NC(=S)NC(=O)c3ccccc3)c(C#N)c2C1 ZINC000003902166 571171998 /nfs/dbraw/zinc/17/19/98/571171998.db2.gz ZIDKAOZWFJKVMK-LLVKDONJSA-N 0 0 355.488 3.871 50 30 FHEARN COc1cc2c(cc1OC)C(=NNC1=CC(=O)CC(C)(C)C1)NC(C)(C)C2 ZINC000003672470 571187254 /nfs/dbraw/zinc/18/72/54/571187254.db2.gz AEOFRCZLIOVQRN-OEAKJJBVSA-N 0 0 371.481 3.993 50 30 FHEARN Cc1ccc(/N=C2/NC(=O)/C(=C3/c4ccccc4N(C)C3=O)S2)cc1C ZINC000001744956 571189820 /nfs/dbraw/zinc/18/98/20/571189820.db2.gz ZQDOPPIKSPIPEA-WUKNDPDISA-N 0 0 363.442 3.542 50 30 FHEARN N#CC1(c2ccc(-c3ccc(C(=O)N4CC[C@@H](O)C4)cc3)cc2)CCCC1 ZINC000534577705 571204716 /nfs/dbraw/zinc/20/47/16/571204716.db2.gz IRHSIICWRNLKEA-OAQYLSRUSA-N 0 0 360.457 3.896 50 30 FHEARN CCc1csc(CCNC(=O)N2CCC(C#N)(c3ccccc3)CC2)n1 ZINC000426668504 571234826 /nfs/dbraw/zinc/23/48/26/571234826.db2.gz WVXLGZGNULOFDA-UHFFFAOYSA-N 0 0 368.506 3.515 50 30 FHEARN CCN(CC)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ncnn32)cc1 ZINC000006721131 571243572 /nfs/dbraw/zinc/24/35/72/571243572.db2.gz UZNFHBFBVJEGNY-LJQANCHMSA-N 0 0 365.481 3.782 50 30 FHEARN C[C@@H](Oc1ccc(F)cc1Br)C(=O)Nc1ccccc1C#N ZINC000007032659 571257769 /nfs/dbraw/zinc/25/77/69/571257769.db2.gz JHHZACIPHSGVEB-SNVBAGLBSA-N 0 0 363.186 3.866 50 30 FHEARN COC(=O)c1ccc(CSc2nc(C(F)(F)F)cc(C)c2C#N)o1 ZINC000036623964 571258763 /nfs/dbraw/zinc/25/87/63/571258763.db2.gz ZYSRQHVZUQCVAX-UHFFFAOYSA-N 0 0 356.325 3.952 50 30 FHEARN Cc1nc(SCC(=O)Nc2ccc(N(C)C)cc2)c(C#N)c(C)c1C ZINC000007060213 571259404 /nfs/dbraw/zinc/25/94/04/571259404.db2.gz BDUKPUHDWAFBCI-UHFFFAOYSA-N 0 0 354.479 3.675 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2cc(OC)cc(OC)c2)C[C@H]1c1ccco1 ZINC000170615237 571268213 /nfs/dbraw/zinc/26/82/13/571268213.db2.gz QDCJHQLVMWQXPC-PXNSSMCTSA-N 0 0 370.401 3.616 50 30 FHEARN N#Cc1ccccc1CN1CCC(OC(=O)Cc2ccccc2Cl)CC1 ZINC000170629746 571269656 /nfs/dbraw/zinc/26/96/56/571269656.db2.gz GOTWOMNPCGOHEJ-UHFFFAOYSA-N 0 0 368.864 3.962 50 30 FHEARN COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCc2ccc(C#N)cc2)c1 ZINC000027155027 571277936 /nfs/dbraw/zinc/27/79/36/571277936.db2.gz FGHJMSJXQBRINT-FQEVSTJZSA-N 0 0 364.445 3.872 50 30 FHEARN CC(=O)Nc1ccc(C(C)=NOCc2nnc(-c3ccccc3)o2)cc1 ZINC000252452949 571278833 /nfs/dbraw/zinc/27/88/33/571278833.db2.gz QCMMDNGBDDWKOO-UHFFFAOYSA-N 0 0 350.378 3.636 50 30 FHEARN O=C([N-]C1CCCCC1)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000002147482 571280729 /nfs/dbraw/zinc/28/07/29/571280729.db2.gz DSXFWEWRTUHFOG-NSHDSACASA-N 0 0 373.215 3.630 50 30 FHEARN CCOc1ccc(CN(CCC#N)C(=S)NC(=O)c2ccccc2)cc1 ZINC000002208423 571284728 /nfs/dbraw/zinc/28/47/28/571284728.db2.gz KGNISOMTVWMKQW-UHFFFAOYSA-N 0 0 367.474 3.516 50 30 FHEARN CC1N=NC(=S)N1N=Cc1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000252607326 571284846 /nfs/dbraw/zinc/28/48/46/571284846.db2.gz HAMNXMSPNHBLRS-UHFFFAOYSA-N 0 0 365.437 3.900 50 30 FHEARN COc1ccc(OC)c(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)c1 ZINC000252607677 571284974 /nfs/dbraw/zinc/28/49/74/571284974.db2.gz HDXRUXWTHRWOJB-HDTIWSQQSA-N 0 0 354.431 3.938 50 30 FHEARN N#Cc1c2c(sc1N=Cc1cc3c(cc1[N+](=O)[O-])OCO3)CCCC2 ZINC000252618379 571286586 /nfs/dbraw/zinc/28/65/86/571286586.db2.gz LFORJRKNHYKNNT-UHFFFAOYSA-N 0 0 355.375 3.886 50 30 FHEARN CC(=NOC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000252619454 571286723 /nfs/dbraw/zinc/28/67/23/571286723.db2.gz LPUIKNDBLUFNDU-UHFFFAOYSA-N 0 0 363.167 3.938 50 30 FHEARN C=CCNC(=O)[C@@H]1CC[C@H](c2ccccc2)N(C(=O)c2ccccc2F)C1 ZINC000037546335 571287726 /nfs/dbraw/zinc/28/77/26/571287726.db2.gz BIJUETOVKOFPSE-YLJYHZDGSA-N 0 0 366.436 3.721 50 30 FHEARN COc1cc(OC)nc(Oc2ccccc2C=Nc2ccc(C)cn2)n1 ZINC000252621156 571288256 /nfs/dbraw/zinc/28/82/56/571288256.db2.gz MUBXXTWQUNWGRO-UHFFFAOYSA-N 0 0 350.378 3.740 50 30 FHEARN COc1ccc(N=C2S/C(=C/c3cc(C)n(C)c3C)C(=O)N2C)cc1 ZINC000252622029 571288274 /nfs/dbraw/zinc/28/82/74/571288274.db2.gz NMZYIIFZQKCJMB-OEQLELKQSA-N 0 0 355.463 3.884 50 30 FHEARN CCOc1ccc(N(C(C)=O)C2=C(Cl)C(=O)c3ccccc3C2=O)cc1 ZINC000027570430 571317770 /nfs/dbraw/zinc/31/77/70/571317770.db2.gz GTPCZTMVBDEOMT-UHFFFAOYSA-N 0 0 369.804 3.968 50 30 FHEARN C=CCOC(=O)COc1ccc2c(c1)oc(C)c(-c1ccccc1)c2=O ZINC000002334251 571318074 /nfs/dbraw/zinc/31/80/74/571318074.db2.gz QPAYZNHQERKMKK-UHFFFAOYSA-N 0 0 350.370 3.876 50 30 biogenic FHEARN N#Cc1nc(Cc2cccc3ccccc32)oc1NCCCn1ccnc1 ZINC000002345502 571318386 /nfs/dbraw/zinc/31/83/86/571318386.db2.gz JVWCJSXOEPZABB-UHFFFAOYSA-N 0 0 357.417 3.989 50 30 FHEARN COc1cc(C#N)ccc1OC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000007813866 571319991 /nfs/dbraw/zinc/31/99/91/571319991.db2.gz OHRXIEPYGQQVRU-QPJJXVBHSA-N 0 0 358.737 3.747 50 30 FHEARN C=CCn1c(N)c(C(=O)OC2CCCCC2)c2nc3ccccc3nc21 ZINC000002386260 571321128 /nfs/dbraw/zinc/32/11/28/571321128.db2.gz LUGQEZDAYPDTOR-UHFFFAOYSA-N 0 0 350.422 3.842 50 30 FHEARN CC[C@H](C(=O)Nc1c(C#N)c(C)nn1-c1nc(C)cc(C)n1)c1ccccc1 ZINC000009418917 571321211 /nfs/dbraw/zinc/32/12/11/571321211.db2.gz PHXCWAHQAWXZGO-KRWDZBQOSA-N 0 0 374.448 3.592 50 30 FHEARN CCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCC1 ZINC000002395548 571321295 /nfs/dbraw/zinc/32/12/95/571321295.db2.gz OOVVWAAWJNIBMN-MRXNPFEDSA-N 0 0 366.465 3.961 50 30 FHEARN Cc1cc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCC3)ncn1 ZINC000012000685 571322243 /nfs/dbraw/zinc/32/22/43/571322243.db2.gz QSZUKFLLRYJFRS-NSHDSACASA-N 0 0 358.492 3.716 50 30 FHEARN COc1ccc2c(c1)[nH]c1c2ncn(/N=C/c2ccc(C(C)C)cc2)c1=O ZINC000002437456 571322335 /nfs/dbraw/zinc/32/23/35/571322335.db2.gz FBUAFWPDNMRIJS-FOKLQQMPSA-N 0 0 360.417 3.892 50 30 FHEARN C=CCOC(=O)C1=C(C)N=C2S[C@@H](CC)C(=O)N2[C@@H]1c1ccc(C)cc1 ZINC000002463564 571327777 /nfs/dbraw/zinc/32/77/77/571327777.db2.gz ZJRDFCZNGYQAJZ-DOTOQJQBSA-N 0 0 370.474 3.763 50 30 FHEARN Cc1nc(C(=O)N2CCCCC[C@@H]2c2noc(C(C)C)n2)ccc1C#N ZINC000096001217 571333734 /nfs/dbraw/zinc/33/37/34/571333734.db2.gz FIJNBTJVDTZVNB-MRXNPFEDSA-N 0 0 353.426 3.526 50 30 FHEARN N#Cc1ccccc1OCc1nnc(-c2ccccc2Br)o1 ZINC000002638440 571339796 /nfs/dbraw/zinc/33/97/96/571339796.db2.gz VJTTVMHLSVNJCE-UHFFFAOYSA-N 0 0 356.179 3.950 50 30 FHEARN CC[C@H](Oc1ccccc1)C(=O)Nc1sc(C(=O)OC)c(C)c1C#N ZINC000002748111 571340717 /nfs/dbraw/zinc/34/07/17/571340717.db2.gz AAOMQWIZPPDYQI-AWEZNQCLSA-N 0 0 358.419 3.511 50 30 FHEARN COc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)ccc1OC(F)F ZINC000002739458 571340734 /nfs/dbraw/zinc/34/07/34/571340734.db2.gz XMNQFBQSAGTAPK-UHFFFAOYSA-N 0 0 364.373 3.971 50 30 FHEARN Cc1ccc(C(=O)Nc2cc(C#N)c3sc4ccccc4n3c2=O)cc1 ZINC000002881704 571341479 /nfs/dbraw/zinc/34/14/79/571341479.db2.gz JTGGINGWUNMAHZ-UHFFFAOYSA-N 0 0 359.410 3.947 50 30 FHEARN C=CCNC(=O)c1ccc(CNc2[nH]c(=S)nc3ccccc32)cc1 ZINC000002948940 571342126 /nfs/dbraw/zinc/34/21/26/571342126.db2.gz BFPZBHHHJPOVPJ-UHFFFAOYSA-N 0 0 350.447 3.820 50 30 FHEARN N#Cc1ccc(Cl)cc1NC(=O)CSc1ncnc2ccccc21 ZINC000003244315 571345999 /nfs/dbraw/zinc/34/59/99/571345999.db2.gz NYUVSLVSEVSSQT-UHFFFAOYSA-N 0 0 354.822 3.886 50 30 FHEARN C[C@H]1Cc2ccccc2N1CC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000003316106 571347230 /nfs/dbraw/zinc/34/72/30/571347230.db2.gz TWTYIZJNDUSPEC-ZDUSSCGKSA-N 0 0 351.475 3.888 50 30 FHEARN CCCCNc1ccccc1C(=O)OCC(=O)Nc1sccc1C#N ZINC000003366813 571348415 /nfs/dbraw/zinc/34/84/15/571348415.db2.gz VVTCSHFZWXNWKT-UHFFFAOYSA-N 0 0 357.435 3.627 50 30 FHEARN COc1ccc2[nH]c(SCC(=O)Nc3ccc(C#N)c(Cl)c3)nc2c1 ZINC000003435469 571349635 /nfs/dbraw/zinc/34/96/35/571349635.db2.gz OXFYLXZNDYGBEB-UHFFFAOYSA-N 0 0 372.837 3.827 50 30 FHEARN C=CCOc1cccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)c1 ZINC000003999958 571353766 /nfs/dbraw/zinc/35/37/66/571353766.db2.gz UFANDRWZJOAHAT-MDRMPYQZSA-N 0 0 360.457 3.889 50 30 biogenic FHEARN N#Cc1ccc(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)cc1 ZINC000004069847 571354702 /nfs/dbraw/zinc/35/47/02/571354702.db2.gz WVEZJTLETPOUCR-UHFFFAOYSA-N 0 0 350.359 3.842 50 30 FHEARN CC12CN3CC(C)(CN(C1)C3c1ccco1)C2/N=C/c1c[nH]c2ccccc12 ZINC000032074190 571355424 /nfs/dbraw/zinc/35/54/24/571355424.db2.gz QYBFPHGVBBGKNZ-OPEKNORGSA-N 0 0 374.488 3.905 50 30 FHEARN Cc1c(C#N)c(NC(=O)c2ccccc2)sc1C(=O)N1CCCCC1 ZINC000004133591 571355924 /nfs/dbraw/zinc/35/59/24/571355924.db2.gz SHMJUXUIZZDASO-UHFFFAOYSA-N 0 0 353.447 3.807 50 30 FHEARN COc1cc(Cl)cc(/C=N/c2sc3c(c2C#N)CCN(C)C3)c1O ZINC000004150654 571356146 /nfs/dbraw/zinc/35/61/46/571356146.db2.gz ACVLKCDGBATCTR-DNTJNYDQSA-N 0 0 361.854 3.726 50 30 FHEARN Cc1[nH]nc2c1[C@H](c1ccccc1[N+](=O)[O-])C1=C(CC(C)(C)CC1=O)N2 ZINC000004170141 571356329 /nfs/dbraw/zinc/35/63/29/571356329.db2.gz IZWCARISQFIWHX-INIZCTEOSA-N 0 0 352.394 3.827 50 30 FHEARN Cc1cc(SCC(=O)N2CCCCC2)n2c3ccccc3nc2c1C#N ZINC000004270131 571357449 /nfs/dbraw/zinc/35/74/49/571357449.db2.gz UMUWDBOCZUEYAQ-UHFFFAOYSA-N 0 0 364.474 3.772 50 30 FHEARN C[C@H]1CCc2c(C#N)c(NC(=O)C[C@@H]3OC(=O)c4ccccc43)sc2C1 ZINC000007989211 571358272 /nfs/dbraw/zinc/35/82/72/571358272.db2.gz LRLCUUDESWFWKD-ZBEGNZNMSA-N 0 0 366.442 3.985 50 30 FHEARN CCN(C[C@H](C)C#N)C(=O)c1cc(-c2ccccc2F)nc2onc(C)c21 ZINC000047533922 945281852 /nfs/dbraw/zinc/28/18/52/945281852.db2.gz DKLOAEHRBOXVNI-GFCCVEGCSA-N 0 0 366.396 3.959 50 30 FHEARN COc1ccc2c(c1)CC/C(=C/c1ccc(N(C)C)c([N+](=O)[O-])c1)C2=O ZINC000013140832 940014618 /nfs/dbraw/zinc/01/46/18/940014618.db2.gz GRRDOUSCHPVEOX-GDNBJRDFSA-N 0 0 352.390 3.882 50 30 FHEARN Cn1ccnc1N1CCC(NC(=O)c2ccc(Cl)c3ncccc23)CC1 ZINC000328668600 941956920 /nfs/dbraw/zinc/95/69/20/941956920.db2.gz FFBJYVZDGYZPMW-UHFFFAOYSA-N 0 0 369.856 3.595 50 30 FHEARN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)Nc1cn(C)nc1-c1ccccc1 ZINC000329562652 944057663 /nfs/dbraw/zinc/05/76/63/944057663.db2.gz RUSLDQFDDAGPHX-LPHOPBHVSA-N 0 0 356.470 3.864 50 30 FHEARN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000329795542 944278706 /nfs/dbraw/zinc/27/87/06/944278706.db2.gz GOKFEBJNTWBEFH-SDADXPQNSA-N 0 0 362.271 3.891 50 30 FHEARN CC1(C)CN(C(=O)NCCc2csc3ccccc23)C[C@@]2(CCOC2)O1 ZINC000329983950 944313108 /nfs/dbraw/zinc/31/31/08/944313108.db2.gz BRFGCRFIVUWNFK-HXUWFJFHSA-N 0 0 374.506 3.628 50 30 FHEARN COc1ccc(O)c(C=Nc2ccc(I)cc2)c1 ZINC000254759721 947616488 /nfs/dbraw/zinc/61/64/88/947616488.db2.gz YCRNFQKEWWBPJZ-UHFFFAOYSA-N 0 0 353.159 3.756 50 30 FHEARN O=C(C=Cc1ccccc1)NCCCNC(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000328586305 948731171 /nfs/dbraw/zinc/73/11/71/948731171.db2.gz WDEIOEKHQNXRSZ-OJXHRBAXSA-N 0 0 352.438 3.531 50 30 FHEARN O=S(=O)(N/N=C/c1c(Cl)cccc1Cl)c1ccc(Cl)cc1 ZINC000000695320 219314165 /nfs/dbraw/zinc/31/41/65/219314165.db2.gz RCCCXMBNGUFOJT-CAOOACKPSA-N 0 0 363.653 3.959 50 30 FHEARN CCOC(=O)c1c(NC(C)=O)sc2c1CC[C@@](C#N)(c1ccccc1)C2 ZINC000000751972 219318183 /nfs/dbraw/zinc/31/81/83/219318183.db2.gz HKLVYGDGAFHARS-HXUWFJFHSA-N 0 0 368.458 3.833 50 30 FHEARN Cn1c2ccccc2c(C#N)c1CN(C(=O)CN1CCCC1)c1ccccc1 ZINC000000862822 219332609 /nfs/dbraw/zinc/33/26/09/219332609.db2.gz BQAUWIYXTPIKRA-UHFFFAOYSA-N 0 0 372.472 3.679 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCC)cc1 ZINC000000823641 219327044 /nfs/dbraw/zinc/32/70/44/219327044.db2.gz DDYAHWPXOJULFD-LJQANCHMSA-N 0 0 355.434 3.616 50 30 FHEARN COc1ccccc1NC(=O)CSc1nc2c(cc1C#N)CCCCC2 ZINC000000879522 219335819 /nfs/dbraw/zinc/33/58/19/219335819.db2.gz BRNKCSCEDGZKDG-UHFFFAOYSA-N 0 0 367.474 3.962 50 30 FHEARN O=c1c(Br)c(N=NC[C@@H]2CC=CCC2)cnn1-c1ccccc1 ZINC000000957110 219347784 /nfs/dbraw/zinc/34/77/84/219347784.db2.gz LORWOLWJXSRZSG-OTGIAGGSSA-N 0 0 373.254 3.749 50 30 FHEARN C=CCn1c(C)c(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc21 ZINC000000977287 219348794 /nfs/dbraw/zinc/34/87/94/219348794.db2.gz XZTNMIGJPVZVPG-MOSHPQCFSA-N 0 0 371.465 3.906 50 30 FHEARN CCNC(=S)N/N=C/c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000000980723 219349057 /nfs/dbraw/zinc/34/90/57/219349057.db2.gz JYUIOHKTKYWVON-LSHDLFTRSA-N 0 0 368.428 3.931 50 30 FHEARN CC(C)OC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1 ZINC000001052102 219359245 /nfs/dbraw/zinc/35/92/45/219359245.db2.gz TYINMNODWKHVTF-MRXNPFEDSA-N 0 0 355.434 3.566 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(Nc2ccccc2C#N)C[C@H]1c1ccccc1 ZINC000001080027 219366328 /nfs/dbraw/zinc/36/63/28/219366328.db2.gz OLWLAXYIZFLXQE-GHTZIAJQSA-N 0 0 360.413 3.790 50 30 FHEARN COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(SC)cc1 ZINC000001101135 219369474 /nfs/dbraw/zinc/36/94/74/219369474.db2.gz NKWNCSSLOCZENM-HNNXBMFYSA-N 0 0 373.474 3.509 50 30 FHEARN Cc1c(/N=C/c2ccc(Br)o2)c(=O)n(-c2ccccc2)n1C ZINC000001107478 219370335 /nfs/dbraw/zinc/37/03/35/219370335.db2.gz WZMPZOMKYIGHBD-VCHYOVAHSA-N 0 0 360.211 3.591 50 30 FHEARN Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C#N)cc3)o2)cc1 ZINC000001330161 219395791 /nfs/dbraw/zinc/39/57/91/219395791.db2.gz NHVJTZAOAJAHSZ-UHFFFAOYSA-N 0 0 350.403 3.648 50 30 FHEARN COc1ccc(NC=C2C(=O)CC(c3ccc(F)cc3)CC2=O)c(OC)c1 ZINC000001410297 219404104 /nfs/dbraw/zinc/40/41/04/219404104.db2.gz OFYSGDLOAXHRSA-UHFFFAOYSA-N 0 0 369.392 3.855 50 30 FHEARN COc1ccc(NC=C2C(=O)CC(c3ccccc3)CC2=O)cc1OC ZINC000001410163 219404191 /nfs/dbraw/zinc/40/41/91/219404191.db2.gz XDAQQNJIWLEPSL-UHFFFAOYSA-N 0 0 351.402 3.715 50 30 FHEARN CCOC(=O)C(N=Nc1c(Cl)cc(Cl)cc1Cl)C(=O)OCC ZINC000002088046 219426237 /nfs/dbraw/zinc/42/62/37/219426237.db2.gz KINMIXKDAYOZSB-UHFFFAOYSA-N 0 0 367.616 3.541 50 30 FHEARN C=CCOc1ccc(/C=C2/N=C(c3cccc(F)c3)OC2=O)cc1OC ZINC000002081129 219426247 /nfs/dbraw/zinc/42/62/47/219426247.db2.gz LSKLWSSGAIBHQW-MHWRWJLKSA-N 0 0 353.349 3.744 50 30 FHEARN COc1ccc(/C=N/N=C2\S[C@@H](C)C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000002318138 219437475 /nfs/dbraw/zinc/43/74/75/219437475.db2.gz ZMXZUQGYBSJGQZ-PBTUDLSPSA-N 0 0 371.437 3.688 50 30 FHEARN C=CCOC(=O)COc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12 ZINC000002910849 219474279 /nfs/dbraw/zinc/47/42/79/219474279.db2.gz MSCAABWMVQVBRU-UHFFFAOYSA-N 0 0 350.370 3.876 50 30 FHEARN C=CCNC(=S)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000004083329 219540259 /nfs/dbraw/zinc/54/02/59/219540259.db2.gz RKQFXERRZQKATL-FSJBWODESA-N 0 0 366.465 3.813 50 30 FHEARN Cc1ccc(S(=O)(=O)N=C(Nc2nccs2)c2ccccc2)cc1 ZINC000004387802 219572962 /nfs/dbraw/zinc/57/29/62/219572962.db2.gz YSPXZXKXWWEGQW-UHFFFAOYSA-N 0 0 357.460 3.699 50 30 FHEARN CCOc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCC)nn32)cc1 ZINC000004436144 219575004 /nfs/dbraw/zinc/57/50/04/219575004.db2.gz ZSWBANGIIAFGEQ-QGZVFWFLSA-N 0 0 370.478 3.811 50 30 FHEARN Cc1cccc2c1NC(=O)/C2=C1\S/C(=N/c2ccc(Cl)cc2)NC1=O ZINC000004470415 219576338 /nfs/dbraw/zinc/57/63/38/219576338.db2.gz DALYBBDHSVAYCX-SQFISAMPSA-N 0 0 369.833 3.862 50 30 FHEARN COc1cc(CN=Nc2nc(C)nc3sc4c(c32)CCC4)ccc1O ZINC000004931356 219626410 /nfs/dbraw/zinc/62/64/10/219626410.db2.gz UVMYTSNHJNVKGQ-DJKKODMXSA-N 0 0 354.435 3.649 50 30 FHEARN O=C1C[C@H](c2cccc(F)c2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004914740 219624509 /nfs/dbraw/zinc/62/45/09/219624509.db2.gz ACQSSVHQYWANGK-WMLDXEAASA-N 0 0 353.368 3.969 50 30 FHEARN CCn1c2ccccc2c2nnc(N=NCc3ccc(N(C)C)cc3)nc21 ZINC000004991182 219634884 /nfs/dbraw/zinc/63/48/84/219634884.db2.gz LBHLIWIJRGXCSU-FYJGNVAPSA-N 0 0 359.437 3.511 50 30 FHEARN O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1ccccc1)c1ccccc1 ZINC000005448754 219681939 /nfs/dbraw/zinc/68/19/39/219681939.db2.gz JGADWTNQABWULG-IBGZPJMESA-N 0 0 356.381 3.865 50 30 FHEARN CC(=CC(=O)c1cccnc1)Nc1ccc(I)cc1 ZINC000005561321 219689761 /nfs/dbraw/zinc/68/97/61/219689761.db2.gz CFIPKJJAGJUICW-PKNBQFBNSA-N 0 0 364.186 3.885 50 30 FHEARN C#CCOc1ccc(Br)cc1/C=C1\SC(=O)N(CC)C1=O ZINC000005708650 219696106 /nfs/dbraw/zinc/69/61/06/219696106.db2.gz QYIVUKWYLZXIQM-LCYFTJDESA-N 0 0 366.236 3.517 50 30 FHEARN O=C(c1cccs1)C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccccc1 ZINC000005729590 219696297 /nfs/dbraw/zinc/69/62/97/219696297.db2.gz FGGSSOSKJPCBDS-WMLDXEAASA-N 0 0 369.442 3.505 50 30 FHEARN N#Cc1ccc(NC(=O)COCc2cc(-c3ccc(F)cc3)on2)cc1 ZINC000006736769 219763548 /nfs/dbraw/zinc/76/35/48/219763548.db2.gz RCGWWSJZHVSWFB-UHFFFAOYSA-N 0 0 351.337 3.508 50 30 FHEARN CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(C#N)cc2)c1C ZINC000006930465 219783191 /nfs/dbraw/zinc/78/31/91/219783191.db2.gz GFRXTKMSAKROMC-UHFFFAOYSA-N 0 0 373.412 3.773 50 30 FHEARN C=CCn1cnc2c(c3nc4ccccc4nc3n2C2CCCCC2)c1=O ZINC000008059744 219843579 /nfs/dbraw/zinc/84/35/79/219843579.db2.gz FCJWEOPFKPXSGA-UHFFFAOYSA-N 0 0 359.433 3.986 50 30 FHEARN N#Cc1cccc(NC(=O)N2CCC([C@@H](O)CCc3ccccc3)CC2)c1 ZINC000299797205 223101636 /nfs/dbraw/zinc/10/16/36/223101636.db2.gz MPSGPUVQQDHTPN-NRFANRHFSA-N 0 0 363.461 3.796 50 30 FHEARN CC(=O)N1CC=C(c2ccc(OCc3ccc(C#N)cc3F)cc2)CC1 ZINC000011050923 219913245 /nfs/dbraw/zinc/91/32/45/219913245.db2.gz WGIVJKYMUGCKHU-UHFFFAOYSA-N 0 0 350.393 3.912 50 30 FHEARN C=CCN(C(=O)c1cn2ccc(C)cc2n1)c1nc2c(s1)CCCC2 ZINC000012531001 220003251 /nfs/dbraw/zinc/00/32/51/220003251.db2.gz YLIHGUOYQPKLIP-UHFFFAOYSA-N 0 0 352.463 3.811 50 30 FHEARN C=CCn1c(C)cc(-c2csc(NC(=O)[C@H](NC(C)=O)C(C)C)n2)c1C ZINC000012763692 220027461 /nfs/dbraw/zinc/02/74/61/220027461.db2.gz SVESOAUQUZSWND-QGZVFWFLSA-N 0 0 374.510 3.514 50 30 FHEARN COc1ccc(/C=C2\COc3ccc(Br)cc3C2=O)cc1O ZINC000012780289 220029160 /nfs/dbraw/zinc/02/91/60/220029160.db2.gz TYKWOFFQMCIIGV-IZZDOVSWSA-N 0 0 361.191 3.822 50 30 FHEARN C[C@H]1CCc2c(C#N)c(NC(=O)CN3CCn4cccc4[C@@H]3C)sc2C1 ZINC000012871973 220037879 /nfs/dbraw/zinc/03/78/79/220037879.db2.gz HOZOLXLZYLTADS-KBPBESRZSA-N 0 0 368.506 3.561 50 30 FHEARN C=CCn1c(C)nn(CN2CCC[C@@H]2c2cc(OC)ccc2OC)c1=S ZINC000012868640 220038202 /nfs/dbraw/zinc/03/82/02/220038202.db2.gz ZUNPLPVTAPKING-QGZVFWFLSA-N 0 0 374.510 3.720 50 30 FHEARN N#Cc1ccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000012897124 220040419 /nfs/dbraw/zinc/04/04/19/220040419.db2.gz LTRFNRJZIHJRHA-UHFFFAOYSA-N 0 0 365.477 3.610 50 30 FHEARN N#Cc1c(Cn2cc(C(F)(F)F)cc(Cl)c2=O)cn2ccccc12 ZINC000012936163 220045614 /nfs/dbraw/zinc/04/56/14/220045614.db2.gz QNKZPBLUDKMUKD-UHFFFAOYSA-N 0 0 351.715 3.693 50 30 FHEARN O=C1N/C(=N/c2ccc(Cl)cc2)S[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000013382036 220066269 /nfs/dbraw/zinc/06/62/69/220066269.db2.gz PXXCPVPYRLIKIV-CQSZACIVSA-N 0 0 361.810 3.710 50 30 FHEARN COc1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)cc1O ZINC000013557217 220073825 /nfs/dbraw/zinc/07/38/25/220073825.db2.gz XIZNZWKPUVVKDH-OQLLNIDSSA-N 0 0 360.822 3.946 50 30 FHEARN C/C(=N\N=C1/NC(=O)[C@H](Cc2ccccc2C)S1)c1ccc(F)cc1 ZINC000013562892 220075001 /nfs/dbraw/zinc/07/50/01/220075001.db2.gz ONIVPHNPHLIJKT-KOWBDXASSA-N 0 0 355.438 3.688 50 30 FHEARN Cc1ccc(/C=C2\Oc3c(ccc4c3CN(C[C@H]3CCCO3)CO4)C2=O)o1 ZINC000013693338 220086978 /nfs/dbraw/zinc/08/69/78/220086978.db2.gz SBNGXPMHXXRXBN-HBFFOVPNSA-N 0 0 367.401 3.535 50 30 FHEARN O=C1c2ccc3c(c2O/C1=C\c1ccncc1)CN(Cc1ccco1)CO3 ZINC000013691270 220087046 /nfs/dbraw/zinc/08/70/46/220087046.db2.gz AWNYBEBWRQYKBW-GRSHGNNSSA-N 0 0 360.369 3.643 50 30 FHEARN Cc1ccc(-c2csc3ncn(C[C@@H](C#N)CCC#N)c(=O)c23)s1 ZINC000014020952 220103158 /nfs/dbraw/zinc/10/31/58/220103158.db2.gz JTDUSTYJFHFUED-GFCCVEGCSA-N 0 0 354.460 3.938 50 30 FHEARN N#Cc1ccsc1NC(=O)CSc1nnc(Nc2ccccc2)s1 ZINC000014094298 220106592 /nfs/dbraw/zinc/10/65/92/220106592.db2.gz LITNHKHSGVCZAY-UHFFFAOYSA-N 0 0 373.488 3.946 50 30 FHEARN N#Cc1ccc(S(=O)(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cc1 ZINC000014250108 220119970 /nfs/dbraw/zinc/11/99/70/220119970.db2.gz AHAXZEFTZCCOSG-UHFFFAOYSA-N 0 0 372.833 3.950 50 30 FHEARN Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Oc3ccc(C#N)cc3)c12 ZINC000014898436 220135439 /nfs/dbraw/zinc/13/54/39/220135439.db2.gz USNSAHIDLHQQDD-UHFFFAOYSA-N 0 0 358.357 3.628 50 30 FHEARN O=S(=O)(N=C(Nc1cccc(O)c1)c1ccccc1)c1ccccc1 ZINC000015224336 220149121 /nfs/dbraw/zinc/14/91/21/220149121.db2.gz XEYGNJXMWGRQFY-UHFFFAOYSA-N 0 0 352.415 3.640 50 30 FHEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000015317448 220151684 /nfs/dbraw/zinc/15/16/84/220151684.db2.gz PMPGODVEKDHJGX-CQSZACIVSA-N 0 0 358.825 3.516 50 30 FHEARN C[C@H](OC(=O)COc1ccc(C#N)cc1)C(=O)Nc1cccc2ccccc21 ZINC000015223347 220149664 /nfs/dbraw/zinc/14/96/64/220149664.db2.gz ZCXPEFFQDSPNJP-HNNXBMFYSA-N 0 0 374.396 3.661 50 30 FHEARN N#Cc1ccccc1OC(=O)COc1ccc(Cl)cc1Br ZINC000015656921 220158466 /nfs/dbraw/zinc/15/84/66/220158466.db2.gz HIFJVLFEHRYTSV-UHFFFAOYSA-N 0 0 366.598 3.959 50 30 FHEARN Cc1ccc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CCC3)cc1C ZINC000015834548 220166595 /nfs/dbraw/zinc/16/65/95/220166595.db2.gz PAZVYTUSUJHBQQ-UHFFFAOYSA-N 0 0 365.458 3.820 50 30 FHEARN C=CCn1c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2sc1=O ZINC000015865080 220169925 /nfs/dbraw/zinc/16/99/25/220169925.db2.gz GJGGNTPMPNUMCV-UHFFFAOYSA-N 0 0 370.430 3.519 50 30 FHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1ccccc1 ZINC000016737261 220192204 /nfs/dbraw/zinc/19/22/04/220192204.db2.gz KPZYRTMMBCWDLD-IBGZPJMESA-N 0 0 363.413 3.850 50 30 FHEARN C=CCN1C(=O)[C@@H](Cc2ccc(C)cc2)S/C1=N/N=C/c1ccco1 ZINC000016713125 220192512 /nfs/dbraw/zinc/19/25/12/220192512.db2.gz XKBNQNLRNWATHJ-MHCYFFLUSA-N 0 0 353.447 3.651 50 30 FHEARN Cc1cc(NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)ccc1O ZINC000016779792 220193487 /nfs/dbraw/zinc/19/34/87/220193487.db2.gz AGKRDODJPAQBKH-UHFFFAOYSA-N 0 0 366.442 3.948 50 30 FHEARN CCc1nc(OCC(=O)c2ccccc2)c(C#N)c2c1COC(C)(C)C2 ZINC000017440324 220216136 /nfs/dbraw/zinc/21/61/36/220216136.db2.gz IENMGYRZNPOPQZ-UHFFFAOYSA-N 0 0 350.418 3.629 50 30 FHEARN CC(=O)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccccc1Cl ZINC000017949157 220219993 /nfs/dbraw/zinc/21/99/93/220219993.db2.gz ZGWLRZNKDSJIEB-GOSISDBHSA-N 0 0 355.821 3.867 50 30 FHEARN CC[C@H](C)Nc1nc2c(C)cccn2c(=O)c1/C=N/c1ccc(OC)cc1 ZINC000018101037 220222912 /nfs/dbraw/zinc/22/29/12/220222912.db2.gz FNJGFKFQLSYJGP-NSMHLIOHSA-N 0 0 364.449 3.973 50 30 FHEARN CSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000018098746 220223570 /nfs/dbraw/zinc/22/35/70/220223570.db2.gz SKXBCFPTJYNHPD-CQSZACIVSA-N 0 0 367.474 3.692 50 30 FHEARN COc1cc2c(cc1OC)[C@H](c1ccc(O)c(O)c1)C1=C(CCCC1=O)N2 ZINC000018197479 220228231 /nfs/dbraw/zinc/22/82/31/220228231.db2.gz YKNOUAWKOIEGGD-FQEVSTJZSA-N 0 0 367.401 3.680 50 30 FHEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccc(N(C)C)cc1 ZINC000019315129 220249326 /nfs/dbraw/zinc/24/93/26/220249326.db2.gz TWBJQPAPCOXILT-LJQANCHMSA-N 0 0 368.477 3.674 50 30 FHEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2[N+](=O)[O-])C2=C(CCCC2=O)N1 ZINC000019638446 220281360 /nfs/dbraw/zinc/28/13/60/220281360.db2.gz DZDOZMRCAIHYNJ-SFHVURJKSA-N 0 0 370.405 3.514 50 30 FHEARN CCOc1ccc(CCNc2nc(C)cc(COC)c2C#N)cc1OCC ZINC000019873972 220303512 /nfs/dbraw/zinc/30/35/12/220303512.db2.gz PTTXUFAPNJOFAQ-UHFFFAOYSA-N 0 0 369.465 3.860 50 30 FHEARN CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1 ZINC000020028809 220308367 /nfs/dbraw/zinc/30/83/67/220308367.db2.gz XMLVJBHHFAJVSH-FQEVSTJZSA-N 0 0 368.452 3.806 50 30 FHEARN C=CCNC(=O)CCN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S ZINC000027020194 220528271 /nfs/dbraw/zinc/52/82/71/220528271.db2.gz YYEDWUJVIWTCFW-VBKFSLOCSA-N 0 0 374.531 3.704 50 30 FHEARN O=C(Nc1cccc(C#Cc2ccccn2)c1)c1ccc2c(c1)OCCCO2 ZINC000032905233 220695232 /nfs/dbraw/zinc/69/52/32/220695232.db2.gz SHTBXDGUAZHOCQ-UHFFFAOYSA-N 0 0 370.408 3.895 50 30 FHEARN CC(C)[C@H](Nc1ncc([N+](=O)[O-])cc1C#N)c1ccc2c(c1)OCCCO2 ZINC000032808486 220682728 /nfs/dbraw/zinc/68/27/28/220682728.db2.gz RQTPLNPFLBSZPW-SFHVURJKSA-N 0 0 368.393 3.832 50 30 FHEARN N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 ZINC000032817146 220684317 /nfs/dbraw/zinc/68/43/17/220684317.db2.gz KTTBNUZCYRGRIO-UHFFFAOYSA-N 0 0 354.431 3.527 50 30 FHEARN C=C(C)COc1ccc([C@H]2SCC(=O)Nc3c2cnn3C)cc1OC ZINC000049545960 221024888 /nfs/dbraw/zinc/02/48/88/221024888.db2.gz MPORNKNSPZGZJU-QGZVFWFLSA-N 0 0 359.451 3.808 50 30 FHEARN CCN(C[C@H]1CCOC1)C(=O)c1cccc(OCc2ccccc2C#N)c1 ZINC000056982638 221082973 /nfs/dbraw/zinc/08/29/73/221082973.db2.gz ANXPZZZNWADQJE-QGZVFWFLSA-N 0 0 364.445 3.636 50 30 FHEARN CC[C@H](C)[C@@H](C)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000057304389 221086272 /nfs/dbraw/zinc/08/62/72/221086272.db2.gz IVYQHLLPLZTLRC-UONOGXRCSA-N 0 0 370.453 3.573 50 30 FHEARN C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1cccc(-n2cc[nH]c2=S)c1 ZINC000058163093 221101869 /nfs/dbraw/zinc/10/18/69/221101869.db2.gz ISTVTLLUZCWGNO-CYBMUJFWSA-N 0 0 364.430 3.813 50 30 FHEARN N#Cc1cccc(C(=O)N2CCC(Cn3ccnc3-c3ccccc3)CC2)c1 ZINC000062129198 221139540 /nfs/dbraw/zinc/13/95/40/221139540.db2.gz YNHNVDLNHOCLPJ-UHFFFAOYSA-N 0 0 370.456 3.974 50 30 FHEARN Cc1c(F)cc(C#N)cc1NC(=O)N(Cc1cccnc1)C[C@@H]1CCCO1 ZINC000062579963 221141109 /nfs/dbraw/zinc/14/11/09/221141109.db2.gz ORCGUTMAICHJSW-KRWDZBQOSA-N 0 0 368.412 3.614 50 30 FHEARN Cc1ccc(C#N)cc1NC(=O)COc1ccc(Br)cc1F ZINC000063960843 221144426 /nfs/dbraw/zinc/14/44/26/221144426.db2.gz TYLHDAJRZMYMEG-UHFFFAOYSA-N 0 0 363.186 3.786 50 30 FHEARN Cc1ccc(N[C@]2(C(F)(F)F)C(=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000064370017 221145751 /nfs/dbraw/zinc/14/57/51/221145751.db2.gz STLFNELZRLDZAD-KRWDZBQOSA-N 0 0 353.340 3.908 50 30 FHEARN N#Cc1ccccc1-c1ccc(CN2CCN(c3ncccc3F)CC2)o1 ZINC000065495657 221226582 /nfs/dbraw/zinc/22/65/82/221226582.db2.gz ATOJBWNSHQAZMP-UHFFFAOYSA-N 0 0 362.408 3.675 50 30 FHEARN COc1cc2c(cc1-c1cc(-c3ccco3)nc(N)c1C#N)OCCCO2 ZINC000067714149 221275175 /nfs/dbraw/zinc/27/51/75/221275175.db2.gz IGAXBEMYCUGLQY-UHFFFAOYSA-N 0 0 363.373 3.632 50 30 FHEARN C=CCn1cc(CN2CCc3nc[nH]c3[C@H]2c2cc3ccccc3o2)cn1 ZINC000067724092 221276754 /nfs/dbraw/zinc/27/67/54/221276754.db2.gz GEJIDPFBWPEIGM-OAQYLSRUSA-N 0 0 359.433 3.686 50 30 FHEARN CC(C)c1ncc(-c2cc(-c3ccc4c(c3)OCO4)nc(N)c2C#N)cn1 ZINC000067712580 221273104 /nfs/dbraw/zinc/27/31/04/221273104.db2.gz LJYZMCKEUCGWQB-UHFFFAOYSA-N 0 0 359.389 3.512 50 30 FHEARN CCOc1ccc(-c2cc(-c3cccs3)nc(N)c2C#N)cc1CO ZINC000071750139 221362365 /nfs/dbraw/zinc/36/23/65/221362365.db2.gz JORZQUNKXWWHLY-UHFFFAOYSA-N 0 0 351.431 3.822 50 30 FHEARN CCOC(=O)N1CCN(CCC[C@@](C#N)(c2ccccc2C)C(C)C)CC1 ZINC000071782650 221377026 /nfs/dbraw/zinc/37/70/26/221377026.db2.gz MKJGCXRAZMAYQK-QFIPXVFZSA-N 0 0 371.525 3.967 50 30 FHEARN N#C[C@@H](c1ccccc1)N1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000095455183 132211278 /nfs/dbraw/zinc/21/12/78/132211278.db2.gz PNWVKPITHAZIBA-FQEVSTJZSA-N 0 0 355.445 3.530 50 30 FHEARN C=CCNC(=O)C[C@H]1COc2cc(C)ccc2N1Cc1ccc(F)cc1 ZINC000064663565 132305180 /nfs/dbraw/zinc/30/51/80/132305180.db2.gz ZJNULEOOXLUOCJ-SFHVURJKSA-N 0 0 354.425 3.594 50 30 FHEARN C[C@@H](NC(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1cc2ccccc2o1 ZINC000024148033 132910283 /nfs/dbraw/zinc/91/02/83/132910283.db2.gz HXWRLNSXRKWJJC-OAHLLOKOSA-N 0 0 374.444 3.793 50 30 FHEARN N#Cc1ccc(N2CCC(C(=O)N3CCC[C@H]3c3ccccc3)CC2)nc1 ZINC000032883793 132927563 /nfs/dbraw/zinc/92/75/63/132927563.db2.gz NROMEWVCXMOKIN-FQEVSTJZSA-N 0 0 360.461 3.533 50 30 FHEARN N#Cc1cc(F)c(NCc2ccc(N3CCC(O)CC3)c(F)c2)c(F)c1 ZINC000058250543 136131282 /nfs/dbraw/zinc/13/12/82/136131282.db2.gz MBHZGVXNUBSTEH-UHFFFAOYSA-N 0 0 361.367 3.549 50 30 FHEARN C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cscn1 ZINC000078483116 221662388 /nfs/dbraw/zinc/66/23/88/221662388.db2.gz NQKGRTCCYWPFRW-UHFFFAOYSA-N 0 0 355.232 3.873 50 30 FHEARN N#Cc1ccc(/C=C\C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000096925066 222139904 /nfs/dbraw/zinc/13/99/04/222139904.db2.gz WQSNVOGHOMQQSP-KWEPMOPPSA-N 0 0 360.413 3.706 50 30 FHEARN N#Cc1nnc2ccccc2c1Sc1nnc2sc3ccccc3n12 ZINC000097212592 222168321 /nfs/dbraw/zinc/16/83/21/222168321.db2.gz VALCUOQLJFIDOS-UHFFFAOYSA-N 0 0 360.427 3.910 50 30 FHEARN CCCCCCCCCn1c(SC(C)C)nc2c1c(=O)[nH]c(=O)n2C ZINC000097944161 222217179 /nfs/dbraw/zinc/21/71/79/222217179.db2.gz KYHNXXCFZSEJAU-UHFFFAOYSA-N 0 0 366.531 3.674 50 30 FHEARN O=[N+]([O-])c1ccc(N=NCc2ccc(Cl)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000100003565 222231151 /nfs/dbraw/zinc/23/11/51/222231151.db2.gz ZNRTVMJSCJGMGD-VIZOYTHASA-N 0 0 365.689 3.511 50 30 FHEARN Cc1c(/N=C/c2cc3c(cc2Cl)OCO3)c(=O)n(-c2ccccc2)n1C ZINC000100470918 222245526 /nfs/dbraw/zinc/24/55/26/222245526.db2.gz DOBGRWYDJGQMNP-UFFVCSGVSA-N 0 0 369.808 3.617 50 30 FHEARN CN(/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1)c1ccc(O)cc1 ZINC000100552023 222246132 /nfs/dbraw/zinc/24/61/32/222246132.db2.gz WYRANDZRMSANKW-QZQOTICOSA-N 0 0 366.442 3.664 50 30 FHEARN C[C@@H]1CCc2sc(N3C(=O)[C@H]4CC=C(Cl)C[C@@H]4C3=O)c(C#N)c2C1 ZINC000100641645 222249690 /nfs/dbraw/zinc/24/96/90/222249690.db2.gz UZFRZCVRHABEJM-CDMKHQONSA-N 0 0 360.866 3.767 50 30 FHEARN C/C(=N\O)c1ccc(/N=C2\C(=O)Nc3ccc(Br)cc32)cc1 ZINC000100937492 222257967 /nfs/dbraw/zinc/25/79/67/222257967.db2.gz ZNXYMEVBZWGVTR-AWQFTUOYSA-N 0 0 358.195 3.720 50 30 FHEARN C#CCn1c2cc(C)cc(C)c2s/c1=N\S(=O)(=O)c1ccc(C)cc1 ZINC000101022410 222259035 /nfs/dbraw/zinc/25/90/35/222259035.db2.gz QVYSYUHAFIZNFQ-VXPUYCOJSA-N 0 0 370.499 3.551 50 30 FHEARN Cc1ccc(S(=O)(=O)/N=C2/SC(C)(C)C(=O)N2c2ccccc2)cc1 ZINC000101219146 222265564 /nfs/dbraw/zinc/26/55/64/222265564.db2.gz AEFJOGORWHOEBN-HTXNQAPBSA-N 0 0 374.487 3.598 50 30 FHEARN COc1cc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C#N)cnn32)ccc1O ZINC000102831746 222310206 /nfs/dbraw/zinc/31/02/06/222310206.db2.gz FMJHAAJXBLRQSH-GOSISDBHSA-N 0 0 364.405 3.777 50 30 FHEARN CN1N=C(c2ccc3c(c2)OCCCO3)CS/C1=N\Cc1ccccc1 ZINC000102871053 222311323 /nfs/dbraw/zinc/31/13/23/222311323.db2.gz ISZNVRUIBNJBHH-MRCUWXFGSA-N 0 0 367.474 3.787 50 30 FHEARN CC(=O)O[C@@H]1CC[C@@]2(/C=N/O)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915839 222511876 /nfs/dbraw/zinc/51/18/76/222511876.db2.gz JIIVOVFNPCJNDJ-LSOBINJTSA-N 0 0 359.466 3.890 50 30 FHEARN N#CCCN(C(=O)COC(=O)c1ccc(F)cc1Cl)c1ccccc1 ZINC000003515365 263330111 /nfs/dbraw/zinc/33/01/11/263330111.db2.gz DYUBLXUADHIJBC-UHFFFAOYSA-N 0 0 360.772 3.583 50 30 FHEARN COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000005016575 263337607 /nfs/dbraw/zinc/33/76/07/263337607.db2.gz ZKYRYELHPFTZTI-SOFGYWHQSA-N 0 0 358.390 3.626 50 30 biogenic FHEARN C#CCOC(=O)[C@H](OCC#C)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000005613731 263342659 /nfs/dbraw/zinc/34/26/59/263342659.db2.gz DCSNZONGHFZPCA-LJQANCHMSA-N 0 0 356.462 3.855 50 30 FHEARN Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccnn2C2CCCC2)n1 ZINC000005641562 263343005 /nfs/dbraw/zinc/34/30/05/263343005.db2.gz SQBDAEXXLCPMQG-UHFFFAOYSA-N 0 0 355.467 3.613 50 30 FHEARN C=CCn1c(CC(C)C)nnc1SCC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000006701181 263346541 /nfs/dbraw/zinc/34/65/41/263346541.db2.gz BCBQHFZIRVTDOY-UHFFFAOYSA-N 0 0 360.439 3.546 50 30 FHEARN C=CCn1nnc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)n1 ZINC000010148890 263363576 /nfs/dbraw/zinc/36/35/76/263363576.db2.gz QMHWPJSTRGARKN-UHFFFAOYSA-N 0 0 364.192 3.678 50 30 FHEARN C/C(=N/N1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1 ZINC000019771886 263376192 /nfs/dbraw/zinc/37/61/92/263376192.db2.gz HZYPLSBPUQVTDH-PGMHBOJBSA-N 0 0 372.310 3.991 50 30 FHEARN CCCOc1ccc(C(F)(F)F)cc1NCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000022185574 263385406 /nfs/dbraw/zinc/38/54/06/263385406.db2.gz ITANECAGCUUNFJ-KRWDZBQOSA-N 0 0 369.387 3.715 50 30 FHEARN C#CCNC(=O)[C@H](C)Sc1ncnc2cc(-c3ccc(F)cc3)sc21 ZINC000022367817 263386188 /nfs/dbraw/zinc/38/61/88/263386188.db2.gz FVHBOGDGSNHLNU-NSHDSACASA-N 0 0 371.462 3.727 50 30 FHEARN C=CCN(C(=O)c1cnc(N2CCOCC2)c2ccccc12)c1ccccc1 ZINC000033073027 263394675 /nfs/dbraw/zinc/39/46/75/263394675.db2.gz OXMBSMLGCJGAAY-UHFFFAOYSA-N 0 0 373.456 3.904 50 30 FHEARN N#Cc1ccc(-c2ccc(C(=O)N[C@H]3CCCC[C@@H]3O)cc2)cc1Cl ZINC000426612952 263643615 /nfs/dbraw/zinc/64/36/15/263643615.db2.gz SRDWDRFOWLZUPQ-OALUTQOASA-N 0 0 354.837 3.912 50 30 FHEARN C=C(C)CN(CC)C(=O)[C@@H](C)Sc1n[nH]c(-c2ccc(CC)cc2)n1 ZINC000042212301 518596173 /nfs/dbraw/zinc/59/61/73/518596173.db2.gz DNZJCXIXCFHAHI-CQSZACIVSA-N 0 0 358.511 3.939 50 30 FHEARN C=C(C)CSc1nnc(CNC(=O)OC(C)(C)C)n1-c1ccccc1 ZINC000004865789 518627564 /nfs/dbraw/zinc/62/75/64/518627564.db2.gz LSDVZOLSDLSPCN-UHFFFAOYSA-N 0 0 360.483 3.960 50 30 FHEARN C=C(C)Cn1c(CCCNC(=O)c2ccccc2OC)nc2ccccc21 ZINC000002721560 518638132 /nfs/dbraw/zinc/63/81/32/518638132.db2.gz CHUHJNPRLMJDPS-UHFFFAOYSA-N 0 0 363.461 3.984 50 30 FHEARN C=CCN1C(=O)/C(=C\c2cccc(OC(=O)c3ccco3)c2)SC1=S ZINC000004478018 518833561 /nfs/dbraw/zinc/83/35/61/518833561.db2.gz ADXLGZXKXXNHBO-RVDMUPIBSA-N 0 0 371.439 3.886 50 30 FHEARN C=CCN1c2ccccc2S/C(=C/C(=O)N(C)Cc2ccccc2)C1=O ZINC000022620354 518877318 /nfs/dbraw/zinc/87/73/18/518877318.db2.gz ZDULPOBRDPXWIY-XMHGGMMESA-N 0 0 364.470 3.854 50 30 FHEARN C=CCNC(=O)[C@H](C)Nc1ccc(OC)c(Oc2ccc(OC)cc2)c1 ZINC000023626901 518925128 /nfs/dbraw/zinc/92/51/28/518925128.db2.gz FMYLAJARLNAAAC-AWEZNQCLSA-N 0 0 356.422 3.599 50 30 FHEARN C=CCOc1ccc(/C=C2/SC(=O)N(CN3CCCCC3)C2=O)cc1 ZINC000019911700 519013668 /nfs/dbraw/zinc/01/36/68/519013668.db2.gz DOVPUTCHHCIOJE-GHRIWEEISA-N 0 0 358.463 3.731 50 30 FHEARN C=CCc1cccc(C=NN2CCN(Cc3ccccc3Cl)CC2)c1O ZINC000238950665 519143724 /nfs/dbraw/zinc/14/37/24/519143724.db2.gz ZGJGIMVEDNFZET-UHFFFAOYSA-N 0 0 369.896 3.926 50 30 FHEARN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(C#N)cc1 ZINC000009095784 519192082 /nfs/dbraw/zinc/19/20/82/519192082.db2.gz CIFAJDOOWREFFI-UHFFFAOYSA-N 0 0 374.469 3.902 50 30 FHEARN C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1-c1cccnc1 ZINC000008471969 519258247 /nfs/dbraw/zinc/25/82/47/519258247.db2.gz AHNIQUOWZOYYNW-CQSZACIVSA-N 0 0 365.462 3.645 50 30 FHEARN C=CCn1c2c(cccc2OC)s/c1=N\C(=O)c1cccc(OC)c1 ZINC000100909563 519261164 /nfs/dbraw/zinc/26/11/64/519261164.db2.gz YEBKIMNZKVYRBE-VXPUYCOJSA-N 0 0 354.431 3.647 50 30 FHEARN C=CCn1c2ccccc2nc1N1CCC(C(=O)NCc2ccccc2)CC1 ZINC000034906470 519267859 /nfs/dbraw/zinc/26/78/59/519267859.db2.gz SDKZVPFNBWFYRS-UHFFFAOYSA-N 0 0 374.488 3.755 50 30 FHEARN C=CCn1cnnc1S[C@@H](C)C(=O)C=C1N(C)c2ccccc2C1(C)C ZINC000036023239 519287424 /nfs/dbraw/zinc/28/74/24/519287424.db2.gz WYYGFTSILXTWQU-HIXWQLQUSA-N 0 0 368.506 3.825 50 30 FHEARN C=CCn1c(=S)sc2c1ncnc2N1CCN(c2ccccc2)CC1 ZINC000001034593 534429684 /nfs/dbraw/zinc/42/96/84/534429684.db2.gz OSIHUUJSSQGZAV-UHFFFAOYSA-N 0 0 369.519 3.735 50 30 FHEARN CC(=O)NCc1ccc(C(=O)/C=C\c2c(C)nc3sc(C)cn23)s1 ZINC000096930482 519675209 /nfs/dbraw/zinc/67/52/09/519675209.db2.gz MJEWLYVBGNHGPQ-WAYWQWQTSA-N 0 0 359.476 3.606 50 30 FHEARN CCCCCCCCC(=O)N(CCOC)CC(=O)Nc1ncc(C)s1 ZINC000103190676 519971573 /nfs/dbraw/zinc/97/15/73/519971573.db2.gz ABXIFSQCEKKOMM-UHFFFAOYSA-N 0 0 369.531 3.616 50 30 FHEARN CCCCCS(=O)(=O)N1C(=O)[C@H](CC)S/C1=N\c1ccccc1 ZINC000016043894 520266615 /nfs/dbraw/zinc/26/66/15/520266615.db2.gz KSSAKXGTVJGHIO-HYEKCJMVSA-N 0 0 354.497 3.548 50 30 FHEARN CCCOc1nc2ccccc2nc1[C@H](C#N)C(=O)Nc1cccc(C)c1 ZINC000005452234 520497390 /nfs/dbraw/zinc/49/73/90/520497390.db2.gz OLFWQCIUBSRCEA-INIZCTEOSA-N 0 0 360.417 3.973 50 30 FHEARN CCOc1cc(/C=C\C(=O)c2ccc(C)cc2)ccc1OCC(=O)N(C)C ZINC000033469741 520637006 /nfs/dbraw/zinc/63/70/06/520637006.db2.gz DPKKMKZTXPSIHJ-WQLSENKSSA-N 0 0 367.445 3.757 50 30 FHEARN CCOc1cc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)ccc1O ZINC000015658563 520647780 /nfs/dbraw/zinc/64/77/80/520647780.db2.gz NHDKWVPPTYJAPH-STZFKDTASA-N 0 0 359.857 3.600 50 30 FHEARN CCOc1ccc(NC(=Nc2cccnc2)n2sc(C)cc2=N)cc1 ZINC000020176240 520857207 /nfs/dbraw/zinc/85/72/07/520857207.db2.gz NYEDOWARWJIKOW-UHFFFAOYSA-N 0 0 353.451 3.779 50 30 FHEARN CCOc1ccc(C=NN2C(=S)N=NC2c2ccc(C)cc2)cc1OC ZINC000244816999 520932584 /nfs/dbraw/zinc/93/25/84/520932584.db2.gz SSNMHSHQMKVWNM-UHFFFAOYSA-N 0 0 368.462 3.832 50 30 FHEARN CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C)cc1)C2=O ZINC000009486457 521034508 /nfs/dbraw/zinc/03/45/08/521034508.db2.gz PCRZFCLVBSNMEL-AXLWCPOOSA-N 0 0 352.386 3.942 50 30 FHEARN CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(F)cc1)C2=O ZINC000009484073 521216591 /nfs/dbraw/zinc/21/65/91/521216591.db2.gz RSYNULOPSOHJAQ-XACIZNRCSA-N 0 0 356.349 3.772 50 30 FHEARN CCOc1cccc(C=NN2CCN(c3ccc(Cl)cc3)CC2)c1O ZINC000238950517 521328660 /nfs/dbraw/zinc/32/86/60/521328660.db2.gz YMCJITJIFZEYKQ-UHFFFAOYSA-N 0 0 359.857 3.600 50 30 FHEARN CCCc1ccc(S(=O)(=O)N/N=C\c2c(O)ccc3ccccc32)cc1 ZINC000017075575 521406943 /nfs/dbraw/zinc/40/69/43/521406943.db2.gz KZUNXRPOUSZSGS-STZFKDTASA-N 0 0 368.458 3.810 50 30 FHEARN CCN1CCN(c2ccc(C(=O)/C=C\c3cccc(O)c3)cc2F)CC1 ZINC000096765552 521697172 /nfs/dbraw/zinc/69/71/72/521697172.db2.gz PVMNAEMFIKRREE-TWGQIWQCSA-N 0 0 354.425 3.569 50 30 FHEARN CO/N=C(\C[S@@](=O)Cc1ccc(OC)cc1)c1ccc(Cl)cc1 ZINC000005527007 522737697 /nfs/dbraw/zinc/73/76/97/522737697.db2.gz RCMXYUDOJZCSBP-BIHRDVDLSA-N 0 0 351.855 3.648 50 30 FHEARN COc1cc(OC)c(OC)cc1/C=C/C(=O)c1cc2ccccc2oc1=O ZINC000003911094 522818136 /nfs/dbraw/zinc/81/81/36/522818136.db2.gz JYWUMORVNVBMKT-CMDGGOBGSA-N 0 0 366.369 3.715 50 30 biogenic FHEARN CN(Cc1c(F)cccc1Cl)C(=O)c1ccc(NC(=O)CC#N)cc1 ZINC000006602303 523153594 /nfs/dbraw/zinc/15/35/94/523153594.db2.gz FEPJVNGOSKHBCI-UHFFFAOYSA-N 0 0 359.788 3.603 50 30 FHEARN CC[C@H]1c2ccsc2CCN1C(=O)CCc1c(C)nn(CCC#N)c1C ZINC000046710635 523445015 /nfs/dbraw/zinc/44/50/15/523445015.db2.gz BPZNEDJBHQIHAJ-SFHVURJKSA-N 0 0 370.522 3.944 50 30 FHEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)Cc1ccsc1 ZINC000018169128 524033875 /nfs/dbraw/zinc/03/38/75/524033875.db2.gz QOXSSIXBOUXVBZ-WQRHYEAKSA-N 0 0 355.459 3.714 50 30 FHEARN Cc1cccc(-n2c3ccccc3nc2SCC(=O)N(C)CCC#N)c1 ZINC000008725551 524140522 /nfs/dbraw/zinc/14/05/22/524140522.db2.gz HDDFJCPAYUYFQP-UHFFFAOYSA-N 0 0 364.474 3.798 50 30 FHEARN Cc1cccc(C(=O)NCC(=O)Nc2cccc(C#Cc3cccs3)c2)c1 ZINC000032907514 524189872 /nfs/dbraw/zinc/18/98/72/524189872.db2.gz RHQICYRPGFAPJE-UHFFFAOYSA-N 0 0 374.465 3.825 50 30 FHEARN Cc1cccc(OCCOc2ccc(Cl)cc2/C=N/n2cnnc2)c1 ZINC000002957933 524749343 /nfs/dbraw/zinc/74/93/43/524749343.db2.gz PFCOYSVOKLSBJZ-SSDVNMTOSA-N 0 0 356.813 3.580 50 30 FHEARN Cc1ccc(Nc2nc(NCCCO)c3c(c2C#N)CC(C)(C)OC3)cc1 ZINC000020573577 525326647 /nfs/dbraw/zinc/32/66/47/525326647.db2.gz ZPINTYMGMIFQHC-UHFFFAOYSA-N 0 0 366.465 3.651 50 30 FHEARN Cc1ccc(-n2nnnc2CCN=Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000004370571 525937510 /nfs/dbraw/zinc/93/75/10/525937510.db2.gz JLVLIYRYNFAHNL-DJKKODMXSA-N 0 0 361.236 3.918 50 30 FHEARN Cc1ccc(C(=O)N=C(NCc2ccc3c(c2)OCO3)OCC(C)C)cc1 ZINC000004374549 526015498 /nfs/dbraw/zinc/01/54/98/526015498.db2.gz JAHCZQWRXRUNKB-UHFFFAOYSA-N 0 0 368.433 3.682 50 30 FHEARN O[C@H](CON=C1c2ccccc2-c2ccccc21)Cn1cnc2ccccc21 ZINC000005521230 526287655 /nfs/dbraw/zinc/28/76/55/526287655.db2.gz FJPUEQGQZXHDQA-INIZCTEOSA-N 0 0 369.424 3.847 50 30 FHEARN Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)N(C)C[C@H](C)C#N ZINC000096133946 526295753 /nfs/dbraw/zinc/29/57/53/526295753.db2.gz XMFYWWBTQZCQQF-CFYYFVFUSA-N 0 0 370.884 3.833 50 30 FHEARN Oc1ccc(C=NNc2nnc(SCc3ccc(Cl)cc3)[nH]2)cc1 ZINC000020457951 526340396 /nfs/dbraw/zinc/34/03/96/526340396.db2.gz LCWKXCIHDKZBOC-GIJQJNRQSA-N 0 0 359.842 3.902 50 30 FHEARN S=C1N=NCN1N=Cc1ccc(COc2ccc(Cl)cc2Cl)o1 ZINC000036611074 526390765 /nfs/dbraw/zinc/39/07/65/526390765.db2.gz DXKSDTVMMHYGMS-NGYBGAFCSA-N 0 0 369.233 3.928 50 30 FHEARN N#CCCN(C(=O)COC(=O)c1cccc2ccccc21)c1ccccc1 ZINC000003235549 526451085 /nfs/dbraw/zinc/45/10/85/526451085.db2.gz FKCQOYZYNZHTFX-UHFFFAOYSA-N 0 0 358.397 3.943 50 30 FHEARN N#CCSc1ccccc1NC(=O)COC(=O)c1cc2ccccc2[nH]1 ZINC000021281912 526479179 /nfs/dbraw/zinc/47/91/79/526479179.db2.gz VLBZPYKIIGBTNZ-UHFFFAOYSA-N 0 0 365.414 3.579 50 30 FHEARN N#C[C@@H](NC(=O)CCOc1ccccc1)c1cccc(Br)c1 ZINC000095393523 526494944 /nfs/dbraw/zinc/49/49/44/526494944.db2.gz OOADNODKDSIQGP-MRXNPFEDSA-N 0 0 359.223 3.599 50 30 FHEARN N#Cc1cccc(C(=O)NCc2ccc([C@@H](O)c3cccs3)s2)c1 ZINC000085474544 526698951 /nfs/dbraw/zinc/69/89/51/526698951.db2.gz RUYYVWOYPZQGAX-KRWDZBQOSA-N 0 0 354.456 3.693 50 30 FHEARN Cc1nc(C2CC2)nc(S[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)c1C#N ZINC000245237507 526771069 /nfs/dbraw/zinc/77/10/69/526771069.db2.gz LHYHHWZUYMUFST-AXAPSJFSSA-N 0 0 358.511 3.710 50 30 FHEARN NC(=NOCc1ccc(Cl)s1)c1ccc(N2CCCCC2)nc1 ZINC000058498603 526804425 /nfs/dbraw/zinc/80/44/25/526804425.db2.gz BCDIQXSENXYHBO-UHFFFAOYSA-N 0 0 350.875 3.624 50 30 FHEARN O=C1N=C(NN=Cc2ccccc2OC(F)F)S[C@@H]1c1ccccc1 ZINC000027299448 527044758 /nfs/dbraw/zinc/04/47/58/527044758.db2.gz SEPFCYQCUTYXJG-DGURAOSJSA-N 0 0 361.373 3.582 50 30 FHEARN O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1 ZINC000005129651 527606390 /nfs/dbraw/zinc/60/63/90/527606390.db2.gz YTGNSZZKQUVTFL-KRXBUXKQSA-N 0 0 372.808 3.981 50 30 FHEARN N#C[C@@H](C1=NC(=O)CS1)[C@H](CC(=O)c1cccs1)c1ccccc1 ZINC000012322145 568155807 /nfs/dbraw/zinc/15/58/07/568155807.db2.gz GEIRPHIWQKUAFL-ZIAGYGMSSA-N 0 0 354.456 3.916 50 30 FHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccnc2)o1 ZINC000000796008 568237590 /nfs/dbraw/zinc/23/75/90/568237590.db2.gz NXVPISHGIGILFV-LJQANCHMSA-N 0 0 374.396 3.762 50 30 FHEARN CCOc1ccc(CNC(=S)N/N=C/c2ccc3ccccc3n2)cc1 ZINC000000813294 568284017 /nfs/dbraw/zinc/28/40/17/568284017.db2.gz USBYAVDBAVGUND-HYARGMPZSA-N 0 0 364.474 3.632 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)cc1 ZINC000000626275 570440092 /nfs/dbraw/zinc/44/00/92/570440092.db2.gz GFDTWMMIHOBFFQ-GOSISDBHSA-N 0 0 355.434 3.559 50 30 FHEARN CC(=O)Nc1ccc([C@H]2c3c(C)[nH]nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000001390549 570498492 /nfs/dbraw/zinc/49/84/92/570498492.db2.gz PICQLLZSJKRXHJ-SFHVURJKSA-N 0 0 364.449 3.877 50 30 FHEARN CC(C)O[P@](=O)(c1ccccc1)C1C(=O)C=C(C(C)(C)C)C(=O)C1=O ZINC000001446118 570500250 /nfs/dbraw/zinc/50/02/50/570500250.db2.gz BDNUFCZNBOTXEB-RUZDIDTESA-N 0 0 362.362 3.909 50 30 FHEARN CCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC ZINC000002239925 570517764 /nfs/dbraw/zinc/51/77/64/570517764.db2.gz UTVZKNKTZDWCES-UHFFFAOYSA-N 0 0 366.531 3.676 50 30 FHEARN N#Cc1ccc(C(=O)Nc2ccccc2I)c(F)c1 ZINC000004840234 570524152 /nfs/dbraw/zinc/52/41/52/570524152.db2.gz ZWGGYYZDHFQERG-UHFFFAOYSA-N 0 0 366.133 3.554 50 30 FHEARN Cc1ccc(-c2c(C#N)c(N)nc3c2CN(C(=O)c2ccccc2)CC3)cc1 ZINC000072156876 570526390 /nfs/dbraw/zinc/52/63/90/570526390.db2.gz RZZMHRHAVDXGCA-UHFFFAOYSA-N 0 0 368.440 3.709 50 30 FHEARN O=C1CCC(=O)N1SC1=C(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F ZINC000002921620 570544562 /nfs/dbraw/zinc/54/45/62/570544562.db2.gz GDWMQXVVEBGQAN-UHFFFAOYSA-N 0 0 373.196 3.520 50 30 FHEARN COc1cccc(N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)c1 ZINC000003176697 570553494 /nfs/dbraw/zinc/55/34/94/570553494.db2.gz YYXOCQAQLBNZGI-UHFFFAOYSA-N 0 0 363.442 3.535 50 30 FHEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccc(OC)c(OC)c2)C[C@H]1c1ccco1 ZINC000004919900 570559693 /nfs/dbraw/zinc/55/96/93/570559693.db2.gz MIAKANQSXNUVFG-YWZLYKJASA-N 0 0 370.401 3.616 50 30 FHEARN Cc1cccc(N2C(=O)[C@H](Oc3ccc(Cl)cc3Cl)[C@@H]2C=O)c1C ZINC000004992262 570572917 /nfs/dbraw/zinc/57/29/17/570572917.db2.gz YLVVRXAFZDBZOE-DOTOQJQBSA-N 0 0 364.228 3.972 50 30 aggregator FHEARN CCN1C(=O)C[C@H](C(=O)Nc2ccccc2)S/C1=N\c1ccccc1 ZINC000004996903 570573615 /nfs/dbraw/zinc/57/36/15/570573615.db2.gz CWVZZFVRAHJWKE-BSBNDGSWSA-N 0 0 353.447 3.667 50 30 FHEARN CN(C)c1ccc(-n2cccc2/C=N/NC(=S)Nc2ccccc2)cc1 ZINC000004083515 570575129 /nfs/dbraw/zinc/57/51/29/570575129.db2.gz LPOAFDBZDOMCIL-RCCKNPSSSA-N 0 0 363.490 3.864 50 30 FHEARN O=C(C1=C(O)C(=O)O[C@H]1c1ccc(Br)cc1)c1ccccc1 ZINC000004149816 570578554 /nfs/dbraw/zinc/57/85/54/570578554.db2.gz KRJSLDWQMSWTAM-INIZCTEOSA-N 0 0 359.175 3.742 50 30 FHEARN Cc1nc(SCC(=O)N(C)C2(C#N)CCCCC2)c(C#N)c(C)c1C ZINC000005089458 570582918 /nfs/dbraw/zinc/58/29/18/570582918.db2.gz FOQZBMMRKNXXMS-UHFFFAOYSA-N 0 0 356.495 3.656 50 30 FHEARN COc1ccc(/C(C)=N/N=C2\NC(=O)[C@H](Cc3cccc(C)c3)S2)cc1 ZINC000005124053 570587002 /nfs/dbraw/zinc/58/70/02/570587002.db2.gz SPSBSBSUQXNRJA-OVBDPADQSA-N 0 0 367.474 3.558 50 30 FHEARN CN1C(=O)N[C@@H](c2ccc(Br)cc2)C2=C1CC(C)(C)CC2=O ZINC000004387419 570589306 /nfs/dbraw/zinc/58/93/06/570589306.db2.gz NUYGJCAWOIDLJS-HNNXBMFYSA-N 0 0 363.255 3.788 50 30 FHEARN Cc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1C(=O)C[C@H](c3ccco3)CC1=N2 ZINC000004488232 570592398 /nfs/dbraw/zinc/59/23/98/570592398.db2.gz NMEDTCYMUVXYCB-YJYMSZOUSA-N 0 0 364.380 3.734 50 30 FHEARN O=[N+]([O-])c1ccc([N+](=O)[O-])c(N=NC(c2ccccc2)c2ccncc2)c1 ZINC000004568400 570596698 /nfs/dbraw/zinc/59/66/98/570596698.db2.gz RBXZZOGLUVLIMD-UZYVYHOESA-N 0 0 363.333 3.763 50 30 FHEARN C=CCc1ccc(Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c(OC)c1 ZINC000007979089 570598123 /nfs/dbraw/zinc/59/81/23/570598123.db2.gz DDQZIUHGPPMWHA-UHFFFAOYSA-N 0 0 363.391 3.528 50 30 FHEARN COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(F)cc2)C1=O ZINC000004755849 570605601 /nfs/dbraw/zinc/60/56/01/570605601.db2.gz ZFXGOHGKSCGMGZ-PTNGSMBKSA-N 0 0 355.390 3.979 50 30 FHEARN C=CCOc1c(Cl)cc([C@H]2NC(=O)NC(C)=C2C(C)=O)cc1Cl ZINC000004811256 570607850 /nfs/dbraw/zinc/60/78/50/570607850.db2.gz NCGRQPVBRYYHIR-CQSZACIVSA-N 0 0 355.221 3.775 50 30 FHEARN C/C(=N\N1CCN(c2ccc(Cl)cc2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000004881486 570612509 /nfs/dbraw/zinc/61/25/09/570612509.db2.gz GFUVCRKEKDTQLI-XSFVSMFZSA-N 0 0 358.829 3.794 50 30 FHEARN CCOc1ccc([C@@H]2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000004915045 570614155 /nfs/dbraw/zinc/61/41/55/570614155.db2.gz VKEFRHLIMAMQGZ-AWEZNQCLSA-N 0 0 357.450 3.731 50 30 FHEARN CCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccc(Br)cc1 ZINC000004937927 570614428 /nfs/dbraw/zinc/61/44/28/570614428.db2.gz GBOXZFUELGXKBG-CQSZACIVSA-N 0 0 352.228 3.534 50 30 FHEARN N=C(NOC(=O)c1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000005091378 570620914 /nfs/dbraw/zinc/62/09/14/570620914.db2.gz KBFUBEUTUNKHDF-UHFFFAOYSA-N 0 0 353.603 3.580 50 30 FHEARN Cc1nc(SCC(=O)N2c3ccccc3C[C@H]2C)c(C#N)c(C)c1C ZINC000005172614 570628083 /nfs/dbraw/zinc/62/80/83/570628083.db2.gz PBCMCZXPCNEDDB-GFCCVEGCSA-N 0 0 351.475 3.948 50 30 FHEARN COc1ccc2ccccc2c1C=NN1C(=S)N=NC1c1cccnc1 ZINC000005559019 570630707 /nfs/dbraw/zinc/63/07/07/570630707.db2.gz XOJYVTFHLPZJOV-CIAFOILYSA-N 0 0 361.430 3.673 50 30 FHEARN Cc1c(/N=C/c2cccc(OC(F)F)c2)c(=O)n(-c2ccccc2)n1C ZINC000005677571 570633016 /nfs/dbraw/zinc/63/30/16/570633016.db2.gz RVNPBEHZCGSJER-WSDLNYQXSA-N 0 0 357.360 3.836 50 30 FHEARN O=[N+]([O-])c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000005763321 570635099 /nfs/dbraw/zinc/63/50/99/570635099.db2.gz QMWWNZPKPBLVOL-RQZCQDPDSA-N 0 0 359.798 3.678 50 30 FHEARN C/C(=N/O)c1ccc(/N=C2/C(=O)Nc3ccc(Br)cc32)cc1 ZINC000006361148 570645693 /nfs/dbraw/zinc/64/56/93/570645693.db2.gz ZNXYMEVBZWGVTR-UKWGHVSLSA-N 0 0 358.195 3.720 50 30 FHEARN Cc1nc(SCC(=O)Nc2cccc(C#N)c2)[nH]c1Cc1ccccc1 ZINC000005312570 570646954 /nfs/dbraw/zinc/64/69/54/570646954.db2.gz VDFJKJXUEDQAFZ-UHFFFAOYSA-N 0 0 362.458 3.911 50 30 FHEARN COc1cccc(/C=C2\S/C(=N/c3cccc(C)c3)NC2=O)c1OC ZINC000005324492 570647556 /nfs/dbraw/zinc/64/75/56/570647556.db2.gz WASIIWDUCUBRTM-WJDWOHSUSA-N 0 0 354.431 3.904 50 30 FHEARN COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)o2)c(OC)c1 ZINC000005391968 570651251 /nfs/dbraw/zinc/65/12/51/570651251.db2.gz QIHFOMQDVIHPLZ-UHFFFAOYSA-N 0 0 353.403 3.918 50 30 FHEARN C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 ZINC000005408784 570653477 /nfs/dbraw/zinc/65/34/77/570653477.db2.gz HWHDGPLQABSYSS-GOSISDBHSA-N 0 0 367.376 3.599 50 30 FHEARN COc1cc(/C=C/C(=O)Nc2nc3ccccc3s2)ccc1OCC#N ZINC000005635533 570679799 /nfs/dbraw/zinc/67/97/99/570679799.db2.gz JDTSQPWQARVACZ-VQHVLOKHSA-N 0 0 365.414 3.859 50 30 FHEARN CC1=C(C(=O)OC(C)C)[C@@H](c2ccccn2)C2=C(CC(C)(C)CC2=O)N1 ZINC000013285519 570776477 /nfs/dbraw/zinc/77/64/77/570776477.db2.gz VFYGBBGWINROOO-LJQANCHMSA-N 0 0 354.450 3.637 50 30 FHEARN COc1ccc([C@H](C)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1F ZINC000032745032 570792143 /nfs/dbraw/zinc/79/21/43/570792143.db2.gz JIYWCYXVPZMWQF-LBPRGKRZSA-N 0 0 367.380 3.889 50 30 FHEARN CCN1C(=O)C[C@H](C(=O)Nc2ccc(F)cc2)S/C1=N\c1ccccc1 ZINC000004460955 570792608 /nfs/dbraw/zinc/79/26/08/570792608.db2.gz JPFDQUXGLASESB-BWORXHKJSA-N 0 0 371.437 3.806 50 30 FHEARN Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)c1cc(CC(C)C)no1 ZINC000091915120 570794930 /nfs/dbraw/zinc/79/49/30/570794930.db2.gz KGDAQWPPGSQZJI-UHFFFAOYSA-N 0 0 350.422 3.507 50 30 FHEARN CN(CCC#N)C(=O)CSc1ncnc2scc(-c3ccccc3)c21 ZINC000013985177 570800086 /nfs/dbraw/zinc/80/00/86/570800086.db2.gz LNMBKFJCRMQSBL-UHFFFAOYSA-N 0 0 368.487 3.822 50 30 FHEARN COc1ccc(OC)c(CCC(=O)Nc2sc3c(c2C#N)CCC3)c1 ZINC000032908269 570848009 /nfs/dbraw/zinc/84/80/09/570848009.db2.gz PTJLDAGPCKNCQD-UHFFFAOYSA-N 0 0 356.447 3.697 50 30 FHEARN C=CCN(CC(=O)N(Cc1ccc(C)o1)Cc1ccccc1)C(=O)CC ZINC000004589323 570855119 /nfs/dbraw/zinc/85/51/19/570855119.db2.gz XSOLZYJPARBMHN-UHFFFAOYSA-N 0 0 354.450 3.541 50 30 FHEARN N#C[C@H](C(=O)C=Cc1nccs1)C(=O)Nc1cccc(Cl)c1Cl ZINC000104095902 570856835 /nfs/dbraw/zinc/85/68/35/570856835.db2.gz QFLBIJAMDAKFMA-XNPJLODASA-N 0 0 366.229 3.811 50 30 FHEARN O=C1N/C(=N/c2ccccn2)S[C@@H]1Cc1ccc(Cl)c(Cl)c1 ZINC000006475623 570871808 /nfs/dbraw/zinc/87/18/08/570871808.db2.gz CMWNAQQAYNOKHR-GFCCVEGCSA-N 0 0 352.246 3.850 50 30 FHEARN COC(=O)c1cc(NC=CC(=O)c2cc(C)ccc2C)cc(C(=O)OC)c1 ZINC000044844473 570901504 /nfs/dbraw/zinc/90/15/04/570901504.db2.gz WXFYTPZFAQIWRX-BQYQJAHWSA-N 0 0 367.401 3.685 50 30 FHEARN Cc1nn(CCC#N)c(C)c1CCC(=O)N(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 ZINC000047642553 570905715 /nfs/dbraw/zinc/90/57/15/570905715.db2.gz SDCCTDRINQFXQD-IFXJQAMLSA-N 0 0 368.481 3.721 50 30 FHEARN COc1ccccc1NC(=NC(=O)c1ccc(C)cc1)NCc1cccnc1 ZINC000046127885 570927079 /nfs/dbraw/zinc/92/70/79/570927079.db2.gz QRCXPNXUOOYTRE-UHFFFAOYSA-N 0 0 374.444 3.797 50 30 FHEARN Cc1ccc(NC(=NC(=O)c2ccc(C)cc2)NC[C@@H]2CCCO2)cc1 ZINC000046130354 570928030 /nfs/dbraw/zinc/92/80/30/570928030.db2.gz FEFLPYLPYPSSML-IBGZPJMESA-N 0 0 351.450 3.680 50 30 FHEARN CCc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cccc(C)c2)cc1 ZINC000046130530 570928462 /nfs/dbraw/zinc/92/84/62/570928462.db2.gz RJLBKEYCCRJCFP-FQEVSTJZSA-N 0 0 365.477 3.934 50 30 FHEARN Cc1cc(C)cc(NC(=NC(=O)c2ccccc2)NC[C@@H]2CCCO2)c1 ZINC000046131525 570928471 /nfs/dbraw/zinc/92/84/71/570928471.db2.gz ZRWUKGOPEDRASP-IBGZPJMESA-N 0 0 351.450 3.680 50 30 FHEARN CCc1ccccc1NC(=NC(=O)c1cccc(F)c1)NC[C@H]1CCCO1 ZINC000046131143 570928528 /nfs/dbraw/zinc/92/85/28/570928528.db2.gz VIRKAOFSQUGYAC-GOSISDBHSA-N 0 0 369.440 3.765 50 30 FHEARN Cc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cccc(C)c2C)cc1 ZINC000046131637 570928900 /nfs/dbraw/zinc/92/89/00/570928900.db2.gz AXFSPULBWCIWQY-IBGZPJMESA-N 0 0 365.477 3.989 50 30 FHEARN Cc1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(F)cc2)c1 ZINC000046132050 570929020 /nfs/dbraw/zinc/92/90/20/570929020.db2.gz JFOBEHVWKCAOHQ-SFHVURJKSA-N 0 0 355.413 3.511 50 30 FHEARN Cc1cccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cc(F)cc(F)c2)c1 ZINC000046133131 570929466 /nfs/dbraw/zinc/92/94/66/570929466.db2.gz OMYMIFWRMFJMBX-SFHVURJKSA-N 0 0 373.403 3.650 50 30 FHEARN C#CCOc1ccc(/C=C2\COc3ccc(OC)cc3C2=O)cc1OCC ZINC000022958248 570954058 /nfs/dbraw/zinc/95/40/58/570954058.db2.gz ZKRXFPVUXAOGAW-LFIBNONCSA-N 0 0 364.397 3.765 50 30 FHEARN CCCOc1cc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)ccc1OC ZINC000023164894 570958398 /nfs/dbraw/zinc/95/83/98/570958398.db2.gz VXLZPVPELFXSMN-RVDMUPIBSA-N 0 0 372.442 3.538 50 30 FHEARN CCCCn1c(-c2ccc(OC)cc2)nn(CN(C)CCC#N)c1=S ZINC000023508421 570964212 /nfs/dbraw/zinc/96/42/12/570964212.db2.gz DNVIPLXGUUFGAS-UHFFFAOYSA-N 0 0 359.499 3.693 50 30 FHEARN CSCC[C@@H](NC1=[NH+]C(C)(C)Cc2c3ccccc3ccc21)C(=O)[O-] ZINC000006241320 570969903 /nfs/dbraw/zinc/96/99/03/570969903.db2.gz UEDSXOZPVBHISN-QGZVFWFLSA-N 0 0 356.491 3.717 50 30 FHEARN O=C1c2ccccc2S(=O)(=O)C/C1=C\c1ccc(Br)cc1 ZINC000028912689 571035547 /nfs/dbraw/zinc/03/55/47/571035547.db2.gz LUTOQPBCKFOJMJ-FMIVXFBMSA-N 0 0 363.232 3.503 50 30 FHEARN N#C[C@@H]1c2nc3ccccc3nc2N2C=CC(C(=O)c3ccccc3)=C[C@H]12 ZINC000001272731 571045933 /nfs/dbraw/zinc/04/59/33/571045933.db2.gz NJIMBDNRCFGZTG-QFBILLFUSA-N 0 0 350.381 3.762 50 30 FHEARN C=CCn1c2ccccc2nc1[C@@H]1c2[nH]cnc2CCN1Cc1ccco1 ZINC000072427961 571053528 /nfs/dbraw/zinc/05/35/28/571053528.db2.gz FOZMAZHKBFVFDE-FQEVSTJZSA-N 0 0 359.433 3.686 50 30 FHEARN C=CCN(CC=C)Cc1c(C)[nH]c2ccc(C(=O)OCCC)cc2c1=O ZINC000008717191 571056999 /nfs/dbraw/zinc/05/69/99/571056999.db2.gz SGYWRPNHMWMFMI-UHFFFAOYSA-N 0 0 354.450 3.990 50 30 FHEARN C=C(C)COc1ccccc1CN(C)Cc1nc(-c2ccccn2)no1 ZINC000055283035 571058629 /nfs/dbraw/zinc/05/86/29/571058629.db2.gz ICYNGGAPAHIRBF-UHFFFAOYSA-N 0 0 350.422 3.719 50 30 FHEARN C=CCN1CC2(CCC1=O)CCN(C(=O)Nc1cccc(CC)c1)CC2 ZINC000091965217 571063113 /nfs/dbraw/zinc/06/31/13/571063113.db2.gz LGMIECUBGPMEFY-UHFFFAOYSA-N 0 0 355.482 3.672 50 30 FHEARN CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(C#N)cc3)cc2s1 ZINC000032961122 571067958 /nfs/dbraw/zinc/06/79/58/571067958.db2.gz TXEUUUGEOASWJT-UHFFFAOYSA-N 0 0 350.403 3.769 50 30 FHEARN COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000040107295 571078206 /nfs/dbraw/zinc/07/82/06/571078206.db2.gz RLYZSIDQVANDMK-QZTJIDSGSA-N 0 0 356.466 3.907 50 30 FHEARN C[C@@]1(c2cccc(C(F)(F)F)c2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O ZINC000040116753 571079652 /nfs/dbraw/zinc/07/96/52/571079652.db2.gz QNZDHWIYYZERDP-SFHVURJKSA-N 0 0 373.334 3.544 50 30 FHEARN C=CCN1c2ccc(NC(=O)c3ccccc3)cc2OCC(C)(C)C1=O ZINC000008958802 571082057 /nfs/dbraw/zinc/08/20/57/571082057.db2.gz NTHNQYMWWKMETL-UHFFFAOYSA-N 0 0 350.418 3.877 50 30 FHEARN N#Cc1cc2c(n(-c3cccc(F)c3)c1=O)C[C@H](c1ccccc1)CC2=O ZINC000032985429 571083224 /nfs/dbraw/zinc/08/32/24/571083224.db2.gz RPPBNIMCRQSSPE-HNNXBMFYSA-N 0 0 358.372 3.761 50 30 FHEARN O=C(C#Cc1ccc2c(c1)OCO2)NC(c1cccs1)c1cccs1 ZINC000084437054 571085728 /nfs/dbraw/zinc/08/57/28/571085728.db2.gz QYZUWSNRELZMRF-UHFFFAOYSA-N 0 0 367.451 3.796 50 30 FHEARN C=CCOc1ccc(Cl)cc1/C=C1\C(=N)N2N=C(CC)SC2=NC1=O ZINC000004511071 571102115 /nfs/dbraw/zinc/10/21/15/571102115.db2.gz ZXPQXUMGNJWIEX-BKPRWIHQSA-N 0 0 374.853 3.934 50 30 FHEARN O=C(NCC1CC(c2ccccc2)C1)N1CCN(c2cccc(O)c2)CC1 ZINC000328703209 571102141 /nfs/dbraw/zinc/10/21/41/571102141.db2.gz OCUGZAWVCSMBFN-UHFFFAOYSA-N 0 0 365.477 3.622 50 30 FHEARN C=C(C)COc1ccc(NC(=O)N(C)C[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000299767881 571107368 /nfs/dbraw/zinc/10/73/68/571107368.db2.gz XLCAWAOAMUOBCM-INIZCTEOSA-N 0 0 373.497 3.752 50 30 FHEARN CCCCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 ZINC000013635102 571108966 /nfs/dbraw/zinc/10/89/66/571108966.db2.gz PTSVUEKVLLIYQN-UHFFFAOYSA-N 0 0 361.511 3.533 50 30 FHEARN O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccco1)C1c3ccccc3C2c2ccccc21 ZINC000004304438 571110340 /nfs/dbraw/zinc/11/03/40/571110340.db2.gz ZBOWLFYYHHLFEU-YIWUSOAVSA-N 0 0 368.392 3.506 50 30 FHEARN Cn1ccnc1[C@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000009467782 571110460 /nfs/dbraw/zinc/11/04/60/571110460.db2.gz LNCHTARQOIOCNE-QGZVFWFLSA-N 0 0 351.341 3.541 50 30 FHEARN CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 ZINC000005785144 571111699 /nfs/dbraw/zinc/11/16/99/571111699.db2.gz NZIRHXYSBULUOW-INIZCTEOSA-N 0 0 371.780 3.759 50 30 FHEARN CC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccccc2)C1=O ZINC000005791253 571111728 /nfs/dbraw/zinc/11/17/28/571111728.db2.gz XLKKTKRVTWBFPK-MXWPMSCXSA-N 0 0 367.474 3.939 50 30 FHEARN CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc3c(c2)OCO3)NC(=O)N1 ZINC000006046334 571111761 /nfs/dbraw/zinc/11/17/61/571111761.db2.gz LBIPFMSWHQXASD-KRWDZBQOSA-N 0 0 370.792 3.580 50 30 FHEARN Cc1ncc(-c2ccc(C)c(S(=O)(=O)Nc3cccc(C#N)c3)c2)o1 ZINC000009807740 571119436 /nfs/dbraw/zinc/11/94/36/571119436.db2.gz NPQCOELKJBXNEP-UHFFFAOYSA-N 0 0 353.403 3.631 50 30 FHEARN N#Cc1c2c(sc1NC(=O)CSc1ncnc3sccc31)CCC2 ZINC000006115382 571122101 /nfs/dbraw/zinc/12/21/01/571122101.db2.gz ACDXMQGLGSGSQZ-UHFFFAOYSA-N 0 0 372.500 3.844 50 30 FHEARN Cc1ccc(-c2nc(CON=C(N)Cc3ccccc3Cl)no2)cc1 ZINC000058404763 571132327 /nfs/dbraw/zinc/13/23/27/571132327.db2.gz WNLVWZMPWWUZMD-UHFFFAOYSA-N 0 0 356.813 3.730 50 30 FHEARN Cc1ccc(S(=O)(=O)N/N=C2/COCCC=C(c3ccccc3)C2)cc1 ZINC000043761598 571133352 /nfs/dbraw/zinc/13/33/52/571133352.db2.gz OZCLEKSHZDJVBC-LTPVTLTISA-N 0 0 370.474 3.523 50 30 FHEARN COc1ccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)c(OC)c1OC ZINC000006136547 571137102 /nfs/dbraw/zinc/13/71/02/571137102.db2.gz WMJKFCOEXKXXAU-RVDMUPIBSA-N 0 0 370.430 3.604 50 30 FHEARN N#Cc1ccccc1[C@H]1[C@@H]2CCCC=C2c2c(N)snc2C1(C#N)C#N ZINC000001021803 571143837 /nfs/dbraw/zinc/14/38/37/571143837.db2.gz MELADKHDKLWJDX-WBVHZDCISA-N 0 0 357.442 3.863 50 30 FHEARN O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1ccncc1 ZINC000001105676 571147080 /nfs/dbraw/zinc/14/70/80/571147080.db2.gz GKASPBXQMGBJPS-LCYFTJDESA-N 0 0 360.236 3.736 50 30 FHEARN N#CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCC3 ZINC000004677307 571158253 /nfs/dbraw/zinc/15/82/53/571158253.db2.gz PESLNGARMSVWSD-UHFFFAOYSA-N 0 0 353.472 3.611 50 30 FHEARN O=C1CCCC2=Nc3nc4ccccc4n3[C@@H](c3ccccc3[N+](=O)[O-])C12 ZINC000004684677 571160121 /nfs/dbraw/zinc/16/01/21/571160121.db2.gz YGGFHKIXNOIWQK-IBGZPJMESA-N 0 0 360.373 3.967 50 30 FHEARN O=C1c2ccc([O-])c(C[NH+]3CCCCCC3)c2O/C1=C\c1cccnc1 ZINC000006192094 571161081 /nfs/dbraw/zinc/16/10/81/571161081.db2.gz YSHIITUYRMCWGH-UNOMPAQXSA-N 0 0 350.418 3.779 50 30 FHEARN C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)C1=C(CCCC1=O)N2 ZINC000005847716 571166768 /nfs/dbraw/zinc/16/67/68/571166768.db2.gz YRSKPKJWAXSMMS-AWEZNQCLSA-N 0 0 371.487 3.674 50 30 FHEARN Cc1nnc(SCC(=O)Nc2sccc2C#N)n1C1CCCCC1 ZINC000005865459 571167099 /nfs/dbraw/zinc/16/70/99/571167099.db2.gz AIDLQLHANCILGL-UHFFFAOYSA-N 0 0 361.496 3.756 50 30 FHEARN COc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)c(OC)c1OC ZINC000034849550 571168001 /nfs/dbraw/zinc/16/80/01/571168001.db2.gz ALEYAEHJEAZORC-UHFFFAOYSA-N 0 0 367.449 3.887 50 30 FHEARN COC(=O)c1ccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)cc1 ZINC000004723697 571168676 /nfs/dbraw/zinc/16/86/76/571168676.db2.gz VQWOHXPEMZTMEV-BOPFTXTBSA-N 0 0 366.442 3.982 50 30 FHEARN CC1(C)CC(=O)C2C(=Nc3nc(C(F)(F)F)nn3[C@@H]2c2ccccc2)C1 ZINC000006263411 571168766 /nfs/dbraw/zinc/16/87/66/571168766.db2.gz UYURVQBBTJZMJX-CQSZACIVSA-N 0 0 362.355 3.955 50 30 FHEARN CN(C)c1ccc(/C=C2/C(=O)C(=O)c3ccccc32)cc1Br ZINC000002070619 571174870 /nfs/dbraw/zinc/17/48/70/571174870.db2.gz PDICWBKEPHQKDP-NTEUORMPSA-N 0 0 356.219 3.821 50 30 FHEARN O=C1CS/C(=N/N=C/c2ccc(Br)cc2)N1c1ccccc1 ZINC000003663438 571187067 /nfs/dbraw/zinc/18/70/67/571187067.db2.gz OVQRISXFOYLSBF-MXVZNEBHSA-N 0 0 374.263 3.919 50 30 FHEARN C#CCOc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1Cl ZINC000003667659 571187297 /nfs/dbraw/zinc/18/72/97/571187297.db2.gz FVSGCDLSLQOCNH-VBKFSLOCSA-N 0 0 374.893 3.742 50 30 FHEARN CSc1nc(C2CC2)cc(C(=O)OCC(=O)c2ccc(C)s2)c1C#N ZINC000026984775 571209047 /nfs/dbraw/zinc/20/90/47/571209047.db2.gz WNNLLWDGXLRPES-UHFFFAOYSA-N 0 0 372.471 3.962 50 30 FHEARN C#CCN1C(=O)S/C(=C\c2cc(OCC)c(OCC)cc2Cl)C1=O ZINC000033286664 571230045 /nfs/dbraw/zinc/23/00/45/571230045.db2.gz NHFUIBASJJNQPV-DHDCSXOGSA-N 0 0 365.838 3.807 50 30 FHEARN Cc1cc(O)c(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1Cl ZINC000004756384 571231978 /nfs/dbraw/zinc/23/19/78/571231978.db2.gz WPTOMGHEENWPGS-REZTVBANSA-N 0 0 364.745 3.925 50 30 FHEARN Cc1ccccc1Nc1nnc(SCC(=O)NC2(C#N)CCCC2)s1 ZINC000006650331 571238764 /nfs/dbraw/zinc/23/87/64/571238764.db2.gz HENKPAWCRBRHSZ-UHFFFAOYSA-N 0 0 373.507 3.635 50 30 FHEARN O=C(c1cccs1)C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccccc1 ZINC000006720029 571243375 /nfs/dbraw/zinc/24/33/75/571243375.db2.gz FGGSSOSKJPCBDS-RHSMWYFYSA-N 0 0 369.442 3.505 50 30 FHEARN Cc1cc(C2N=NC(=S)N2N=Cc2ccc(-c3ccccc3)cc2)n[nH]1 ZINC000006785966 571246559 /nfs/dbraw/zinc/24/65/59/571246559.db2.gz OZUREMARXCVECJ-UDWIEESQSA-N 0 0 360.446 3.815 50 30 FHEARN N#Cc1ccc(COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000006829755 571248759 /nfs/dbraw/zinc/24/87/59/571248759.db2.gz KXRFVTMWIUBCBY-UHFFFAOYSA-N 0 0 367.360 3.691 50 30 FHEARN COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](C)c1ccccc1 ZINC000036398110 571253212 /nfs/dbraw/zinc/25/32/12/571253212.db2.gz UXUJLDYBAOWYSU-INIZCTEOSA-N 0 0 352.434 3.646 50 30 FHEARN Cc1ccc(-n2ccnc2SCC(=O)N[C@@](C)(C#N)C(C)C)cc1C ZINC000006979285 571256258 /nfs/dbraw/zinc/25/62/58/571256258.db2.gz NKUPANQEWQLPPJ-IBGZPJMESA-N 0 0 356.495 3.636 50 30 FHEARN CC(C)[C@](C)(C#N)NC(=O)CNc1ccccc1SCC(F)(F)F ZINC000036702488 571261393 /nfs/dbraw/zinc/26/13/93/571261393.db2.gz RWLNZHOUNXCJPC-HNNXBMFYSA-N 0 0 359.417 3.807 50 30 FHEARN CCn1c(SCC(=O)[C@@H](C#N)c2nc(C)cs2)nc2ccccc21 ZINC000007153789 571262590 /nfs/dbraw/zinc/26/25/90/571262590.db2.gz RUCMQRSOOOBAJD-GFCCVEGCSA-N 0 0 356.476 3.790 50 30 FHEARN Cc1nc(CCN(C)c2oc(Cc3cccc4ccccc43)nc2C#N)no1 ZINC000238924299 571262931 /nfs/dbraw/zinc/26/29/31/571262931.db2.gz RURGMTCDGZGFER-UHFFFAOYSA-N 0 0 373.416 3.661 50 30 FHEARN CC(C)CSc1nnc(SCC(=O)Nc2sccc2C#N)s1 ZINC000007231693 571263277 /nfs/dbraw/zinc/26/32/77/571263277.db2.gz PUPMHOOKFFEDGG-UHFFFAOYSA-N 0 0 370.550 3.950 50 30 FHEARN C[C@H]1COC[C@@H](c2ccccc2)N1C(=O)CSCc1ccc(C#N)cc1 ZINC000089941340 571274270 /nfs/dbraw/zinc/27/42/70/571274270.db2.gz BAUVLRXPACMVIN-JXFKEZNVSA-N 0 0 366.486 3.780 50 30 FHEARN N#Cc1ccsc1NC(=O)CN(Cc1ccco1)Cc1cccs1 ZINC000007580736 571274481 /nfs/dbraw/zinc/27/44/81/571274481.db2.gz APPSCSCHNHIFLE-UHFFFAOYSA-N 0 0 357.460 3.915 50 30 FHEARN CCOC(=O)c1ccc(Oc2coc3cc(OCC#N)ccc3c2=O)cc1 ZINC000002078007 571275679 /nfs/dbraw/zinc/27/56/79/571275679.db2.gz ZZVAQPGDNNDKDI-UHFFFAOYSA-N 0 0 365.341 3.664 50 30 FHEARN CCNC(=S)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 ZINC000002521706 571279764 /nfs/dbraw/zinc/27/97/64/571279764.db2.gz UEILDTJIWLTXGF-LPYMAVHISA-N 0 0 363.490 3.666 50 30 FHEARN CCOC(=O)[C@@](O)(c1ccc(N=Cc2ccccc2)cc1)C(F)(F)F ZINC000252588613 571283765 /nfs/dbraw/zinc/28/37/65/571283765.db2.gz ACYIYPOXWYESNT-KRWDZBQOSA-N 0 0 351.324 3.750 50 30 FHEARN C[C@@H](OC(=O)c1cccc2ccccc21)C(=O)NC1(C#N)CCCCC1 ZINC000007604140 571283876 /nfs/dbraw/zinc/28/38/76/571283876.db2.gz CQQVTIKEOKHVNX-OAHLLOKOSA-N 0 0 350.418 3.728 50 30 FHEARN CCOc1nc(N=C(Cl)N(C)C)c(C#N)c(-c2ccc(C)cc2)c1C#N ZINC000252593010 571284242 /nfs/dbraw/zinc/28/42/42/571284242.db2.gz BHSHDPGCDUAEFP-UHFFFAOYSA-N 0 0 367.840 3.987 50 30 FHEARN C=CCn1cnnc1S[C@H](C)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000007634121 571284962 /nfs/dbraw/zinc/28/49/62/571284962.db2.gz COFQMPSPWUBTHR-SNVBAGLBSA-N 0 0 370.450 3.898 50 30 FHEARN Cc1ccccc1OCCC(=O)NCCSCc1ccccc1C#N ZINC000007649067 571285387 /nfs/dbraw/zinc/28/53/87/571285387.db2.gz UQWLNVGRLRHWQU-UHFFFAOYSA-N 0 0 354.475 3.685 50 30 FHEARN COc1cc(CN=Nc2nc(-c3ccccc3)cs2)cc(OC)c1O ZINC000252624735 571288815 /nfs/dbraw/zinc/28/88/15/571288815.db2.gz PUBYCPGKHFMHLL-UHFFFAOYSA-N 0 0 355.419 3.979 50 30 FHEARN CC(=O)OCC(=O)C1=CC[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]12C ZINC000097978073 571309147 /nfs/dbraw/zinc/30/91/47/571309147.db2.gz UFEOMHFPJREVTP-WKZKVMAPSA-N 0 0 366.457 3.883 50 30 FHEARN COc1ccc(/C=N/n2c(C)nc3c4cc(Cl)ccc4[nH]c3c2=O)cc1 ZINC000002328122 571318135 /nfs/dbraw/zinc/31/81/35/571318135.db2.gz LFYQWIAMDUHOJN-UFFVCSGVSA-N 0 0 366.808 3.730 50 30 FHEARN CCn1c(SCC#N)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 ZINC000002361565 571319556 /nfs/dbraw/zinc/31/95/56/571319556.db2.gz UBOLBVLOPOHWKO-UHFFFAOYSA-N 0 0 351.475 3.914 50 30 biogenic FHEARN CC(C)(C)OC(=O)N1CCC(C#N)(Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000311370007 571320942 /nfs/dbraw/zinc/32/09/42/571320942.db2.gz IFJWJPDSTVBPQI-UHFFFAOYSA-N 0 0 363.389 3.817 50 30 FHEARN CC[C@@H](C(=O)Nc1c(C#N)c(C)nn1-c1nc(C)cc(C)n1)c1ccccc1 ZINC000009418918 571321194 /nfs/dbraw/zinc/32/11/94/571321194.db2.gz PHXCWAHQAWXZGO-QGZVFWFLSA-N 0 0 374.448 3.592 50 30 FHEARN Cc1ccc([C@@H](CNc2oc(CC(C)C)nc2C#N)N2CCOCC2)cc1 ZINC000027793533 571321376 /nfs/dbraw/zinc/32/13/76/571321376.db2.gz DKDAGSLYZJMDNC-LJQANCHMSA-N 0 0 368.481 3.539 50 30 FHEARN O=C1CSC(=S)N1/N=C/c1ccc(-c2nc3ccccc3s2)o1 ZINC000002440386 571322345 /nfs/dbraw/zinc/32/23/45/571322345.db2.gz GVLCCHUWCSQBBB-FRKPEAEDSA-N 0 0 359.457 3.751 50 30 FHEARN C[C@@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)Nc1cccc(C#N)c1 ZINC000012823069 571322780 /nfs/dbraw/zinc/32/27/80/571322780.db2.gz ZXTMKWRNXIWIIA-AUECHBEKSA-N 0 0 371.396 3.690 50 30 FHEARN C[Si](C)(C)c1ccc(CNC(=O)C2CCN(CC(F)(F)F)CC2)cc1 ZINC000328591344 571323548 /nfs/dbraw/zinc/32/35/48/571323548.db2.gz LXRLCIIEENBCJW-UHFFFAOYSA-N 0 0 372.507 3.963 50 30 FHEARN CCNC(=O)C[C@H]1CCCCN1C(=O)c1nc(C2CC2)n2ccccc12 ZINC000329090375 571326699 /nfs/dbraw/zinc/32/66/99/571326699.db2.gz WMMHFPDNNFMSRJ-OAHLLOKOSA-N 0 0 354.454 3.573 50 30 FHEARN Cc1cc(N2CCN(c3ccccc3)CC2)n2c3ccccc3nc2c1C#N ZINC000019807835 571327304 /nfs/dbraw/zinc/32/73/04/571327304.db2.gz XXEYDWQRVNODFO-UHFFFAOYSA-N 0 0 367.456 3.994 50 30 FHEARN CC[C@@H]1c2ccsc2CCN1S(=O)(=O)CC1(C#N)CCCCC1 ZINC000095942004 571332415 /nfs/dbraw/zinc/33/24/15/571332415.db2.gz ICSSDRPGZHXZDQ-OAHLLOKOSA-N 0 0 352.525 3.861 50 30 FHEARN Cn1cc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccncc2)cn1 ZINC000096311104 571335205 /nfs/dbraw/zinc/33/52/05/571335205.db2.gz KWBHSPYIFKFNGJ-FPLPWBNLSA-N 0 0 355.401 3.564 50 30 FHEARN COc1cc(C#N)cc(I)c1OCc1ccccc1 ZINC000002801472 571341190 /nfs/dbraw/zinc/34/11/90/571341190.db2.gz OKEXMCIGXPWDAE-UHFFFAOYSA-N 0 0 365.170 3.750 50 30 FHEARN CCOc1ccc2nc(NC(=O)COc3ccc(C#N)cc3)sc2c1 ZINC000003221644 571345681 /nfs/dbraw/zinc/34/56/81/571345681.db2.gz XUWBSLXEUMVYHO-UHFFFAOYSA-N 0 0 353.403 3.584 50 30 FHEARN CCOC(=O)[C@H]1CCCN(c2oc(-c3ccc(Cl)cc3)nc2C#N)C1 ZINC000003293020 571346814 /nfs/dbraw/zinc/34/68/14/571346814.db2.gz LYKJIJMVQMTGAH-ZDUSSCGKSA-N 0 0 359.813 3.646 50 30 FHEARN C=CCn1c(SCC(=O)OC(C)(C)C)nc2sc(C)c(C)c2c1=O ZINC000003326916 571347456 /nfs/dbraw/zinc/34/74/56/571347456.db2.gz GMXOZRZSVCTSAW-UHFFFAOYSA-N 0 0 366.508 3.695 50 30 FHEARN Cc1cc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)o1 ZINC000003329442 571347572 /nfs/dbraw/zinc/34/75/72/571347572.db2.gz VBFROQAMNQQKEW-UHFFFAOYSA-N 0 0 372.446 3.894 50 30 FHEARN COc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc1O ZINC000217681891 571349933 /nfs/dbraw/zinc/34/99/33/571349933.db2.gz OZZLSMBAHSNVKW-ZDUSSCGKSA-N 0 0 366.369 3.711 50 30 FHEARN CC(C)=C1Oc2c(ccc3c2[C@H](c2ccc4c(c2)OCO4)CC(=O)O3)C1=O ZINC000217743256 571350315 /nfs/dbraw/zinc/35/03/15/571350315.db2.gz QNSDMFODWWVWDW-ZDUSSCGKSA-N 0 0 364.353 3.725 50 30 FHEARN Cc1c(Cl)cccc1NC(=O)[C@H]1CCCN1/C=C/C(=O)C(F)(F)F ZINC000004119718 571355606 /nfs/dbraw/zinc/35/56/06/571355606.db2.gz PGJWZVCOJUZJGK-BUUCAEBMSA-N 0 0 360.763 3.696 50 30 FHEARN C=C(C)Cn1c2sc(C)c(C)c2c2nc(-c3ccccc3)nn2c1=O ZINC000032104916 571355864 /nfs/dbraw/zinc/35/58/64/571355864.db2.gz JHOOFOYPFMCPTA-UHFFFAOYSA-N 0 0 350.447 3.966 50 30 FHEARN Cc1cc(C)c(C#N)c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1 ZINC000004179190 571356337 /nfs/dbraw/zinc/35/63/37/571356337.db2.gz ASSAUUCKKLAODR-UHFFFAOYSA-N 0 0 355.507 3.747 50 30 FHEARN O=C1C(=O)/C(=C\c2cccc(I)c2)c2ccccc21 ZINC000002854285 935734334 /nfs/dbraw/zinc/73/43/34/935734334.db2.gz OBVJZUDRRVXYLI-ZROIWOOFSA-N 0 0 360.150 3.597 50 30 FHEARN CCN(C[C@@H](C)C#N)C(=O)c1cc(-c2ccccc2F)nc2onc(C)c21 ZINC000047533921 945281745 /nfs/dbraw/zinc/28/17/45/945281745.db2.gz DKLOAEHRBOXVNI-LBPRGKRZSA-N 0 0 366.396 3.959 50 30 FHEARN N#Cc1cnc(C(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)c(Cl)c1 ZINC000334016863 945362581 /nfs/dbraw/zinc/36/25/81/945362581.db2.gz ZQWGVXBIPMZPBL-GOSISDBHSA-N 0 0 367.836 3.601 50 30 FHEARN COc1ccccc1/C=C/C=C1\Oc2cc(OCC(C)=O)ccc2C1=O ZINC000005824903 942086396 /nfs/dbraw/zinc/08/63/96/942086396.db2.gz JLZMESZGDXFGGV-GIRMVSSCSA-N 0 0 350.370 3.835 50 30 biogenic FHEARN COc1cccc2c1nc(NC(=O)[C@@H]1C[C@]13CCOc1ccccc13)n2C ZINC000328837401 942104546 /nfs/dbraw/zinc/10/45/46/942104546.db2.gz XTYPMULIRGTFSE-QKKBWIMNSA-N 0 0 363.417 3.910 50 30 FHEARN O=C(N[C@@H]1COc2c1ccc(Cl)c2Cl)[C@@H]1CCn2cncc2C1 ZINC000328958477 942229836 /nfs/dbraw/zinc/22/98/36/942229836.db2.gz OKCCFPAQIBJCPE-NOZJJQNGSA-N 0 0 352.221 3.843 50 30 FHEARN O=C(N[C@@H]1CCCc2occc21)[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000329630046 944113218 /nfs/dbraw/zinc/11/32/18/944113218.db2.gz VGVPXMZSHBWJAI-IEBWSBKVSA-N 0 0 358.413 3.826 50 30 FHEARN N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCCCO2 ZINC000329776945 944244780 /nfs/dbraw/zinc/24/47/80/944244780.db2.gz OOCIQCRINPZEIG-OALUTQOASA-N 0 0 362.429 3.760 50 30 FHEARN CC(C)CCn1ncc(NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)c1C(C)C ZINC000330191342 944343060 /nfs/dbraw/zinc/34/30/60/944343060.db2.gz WZGJMFGWLQACQU-MRXNPFEDSA-N 0 0 372.517 3.821 50 30 FHEARN COCCN(C(=O)c1cscc1C(F)(F)F)c1ccc(C#N)cc1 ZINC000598815417 947077169 /nfs/dbraw/zinc/07/71/69/947077169.db2.gz RUJHPEZXDOSESI-UHFFFAOYSA-N 0 0 354.353 3.932 50 30 FHEARN Fc1ccccc1NC(=S)NN=Cc1ccccc1Br ZINC000012728101 947798619 /nfs/dbraw/zinc/79/86/19/947798619.db2.gz ITXAOUGARQFJLP-UHFFFAOYSA-N 0 0 352.232 3.909 50 30 aggregator FHEARN N#Cc1cccc(C(=O)NCc2ccc([C@H](O)c3ccsc3)s2)c1 ZINC000207964416 222628368 /nfs/dbraw/zinc/62/83/68/222628368.db2.gz ZHHKLJQIXVFYJU-QGZVFWFLSA-N 0 0 354.456 3.693 50 30 FHEARN CCOC(=O)COc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N ZINC000000659068 219310479 /nfs/dbraw/zinc/31/04/79/219310479.db2.gz LXLLFUSCQNRNLZ-UHFFFAOYSA-N 0 0 350.296 3.581 50 30 FHEARN C=CCN(c1ccc(C(=O)Nc2ccccc2Cl)cc1)S(C)(=O)=O ZINC000000687831 219313705 /nfs/dbraw/zinc/31/37/05/219313705.db2.gz LALNAGCBWHCGRH-UHFFFAOYSA-N 0 0 364.854 3.544 50 30 FHEARN Cc1ccc(S(=O)(=O)/N=C2/C=C(Cl)C(=O)C(Cl)=C2Cl)cc1 ZINC000000828903 219327734 /nfs/dbraw/zinc/32/77/34/219327734.db2.gz XRYRPMVIHDWJCQ-YVLHZVERSA-N 0 0 364.637 3.519 50 30 FHEARN O=C1CCCC2=Nc3ncnn3[C@@H](c3cccc(OCc4ccccc4)c3)C12 ZINC000000955861 219347053 /nfs/dbraw/zinc/34/70/53/219347053.db2.gz HLDRIQHILPPPGC-NRFANRHFSA-N 0 0 372.428 3.879 50 30 FHEARN CSc1nc(Oc2cccc3ccccc32)cc(-n2ncc(C#N)c2N)n1 ZINC000001018141 219354106 /nfs/dbraw/zinc/35/41/06/219354106.db2.gz JFSWERGWKQFQTO-UHFFFAOYSA-N 0 0 374.429 3.784 50 30 FHEARN CCOC(=O)COc1nc2c(c(-c3ccco3)c1C#N)CCc1ccccc1-2 ZINC000001036071 219355758 /nfs/dbraw/zinc/35/57/58/219355758.db2.gz JFSWDHKRJXDNRI-UHFFFAOYSA-N 0 0 374.396 3.921 50 30 FHEARN COc1cccc(/C=N/n2cnc3c(sc4nc(C)cc(C)c43)c2=O)c1 ZINC000001035726 219356301 /nfs/dbraw/zinc/35/63/01/219356301.db2.gz KCOGUMPXEPFIKB-ZVBGSRNCSA-N 0 0 364.430 3.514 50 30 FHEARN Cc1ccc(S(=O)(=O)CCSC2=CC(=O)CC(C)(C)S2)cc1 ZINC000001038116 219356493 /nfs/dbraw/zinc/35/64/93/219356493.db2.gz JUBHGXPSTXTUDV-UHFFFAOYSA-N 0 0 356.534 3.828 50 30 FHEARN N#Cc1ccc(-c2cccnc2)nc1SCC(=O)OCc1ccccc1 ZINC000001125967 219375817 /nfs/dbraw/zinc/37/58/17/219375817.db2.gz SZWYSORDRJFUFW-UHFFFAOYSA-N 0 0 361.426 3.851 50 30 FHEARN C#CCN1C(=O)S/C(=C/c2ccc(OCC)c(Br)c2)C1=O ZINC000001167252 219384699 /nfs/dbraw/zinc/38/46/99/219384699.db2.gz UIVXPWMFWREELE-UKTHLTGXSA-N 0 0 366.236 3.517 50 30 FHEARN O=C(NOC(=O)c1ccccc1Br)c1ccc(Cl)cc1 ZINC000001186119 219386462 /nfs/dbraw/zinc/38/64/62/219386462.db2.gz XBZVDYJKCJLDSB-UHFFFAOYSA-N 0 0 354.587 3.604 50 30 in-vivo FHEARN CN(C)c1ccc(/C=C2/C(=O)ON=C2c2ccccc2)cc1Br ZINC000001186990 219386483 /nfs/dbraw/zinc/38/64/83/219386483.db2.gz VOGFUODWZJLLCO-GXDHUFHOSA-N 0 0 371.234 3.860 50 30 FHEARN CSc1nnc(C(C)(C)C)c(=O)n1/N=C/c1c(Cl)cccc1Cl ZINC000001189128 219387059 /nfs/dbraw/zinc/38/70/59/219387059.db2.gz MMPGFBSWFGMNCW-QGMBQPNBSA-N 0 0 371.293 3.847 50 30 FHEARN COc1ccc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)cc1OC ZINC000001518311 219410685 /nfs/dbraw/zinc/41/06/85/219410685.db2.gz NKIHWXKBACVACP-UHFFFAOYSA-N 0 0 365.414 3.951 50 30 FHEARN N#CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 ZINC000002230220 219433084 /nfs/dbraw/zinc/43/30/84/219433084.db2.gz PSTDEJUWNUMCDY-UHFFFAOYSA-N 0 0 353.472 3.942 50 30 FHEARN C=CCn1c(N)c(C(=O)OCC(CC)CC)c2nc3ccccc3nc21 ZINC000002264822 219434947 /nfs/dbraw/zinc/43/49/47/219434947.db2.gz QSCQXTXBDVAOQO-UHFFFAOYSA-N 0 0 352.438 3.946 50 30 FHEARN C=CCNC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc21 ZINC000002329470 219437802 /nfs/dbraw/zinc/43/78/02/219437802.db2.gz SBNQCWIWXKCBPF-UHFFFAOYSA-N 0 0 371.444 3.689 50 30 FHEARN CN1C(=O)N[C@@H](c2ccccc2OC(F)F)C2=C1CC(C)(C)CC2=O ZINC000002701452 219457755 /nfs/dbraw/zinc/45/77/55/219457755.db2.gz QABZHMPMZWLZTD-HNNXBMFYSA-N 0 0 350.365 3.627 50 30 FHEARN O=[N+]([O-])c1ccc(/C=N/c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000002954821 219478732 /nfs/dbraw/zinc/47/87/32/219478732.db2.gz SFGGDMKVPUEGLD-XMHGGMMESA-N 0 0 373.434 3.520 50 30 FHEARN Cc1cc(C(=O)OCC(=O)Nc2cccc(C#N)c2)c(C)n1-c1ccccc1 ZINC000003248199 219495528 /nfs/dbraw/zinc/49/55/28/219495528.db2.gz NEZLCXNDTWKXBD-UHFFFAOYSA-N 0 0 373.412 3.761 50 30 FHEARN N#Cc1c(N)n(-c2cccc(Br)c2)c2nc3ccccc3nc12 ZINC000003300008 219498342 /nfs/dbraw/zinc/49/83/42/219498342.db2.gz HGCIGFXWUZZHLS-UHFFFAOYSA-N 0 0 364.206 3.790 50 30 FHEARN COc1ccc(Nc2c(C#N)cnc3cc(OC)c(OC)cc32)cc1OC ZINC000003832365 219526137 /nfs/dbraw/zinc/52/61/37/219526137.db2.gz PPNMPEHEXLGGID-UHFFFAOYSA-N 0 0 365.389 3.884 50 30 FHEARN COc1ccc(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)cc1O ZINC000004702425 219598424 /nfs/dbraw/zinc/59/84/24/219598424.db2.gz XIZNZWKPUVVKDH-DHDCSXOGSA-N 0 0 360.822 3.946 50 30 FHEARN N#CCCn1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)n1 ZINC000005050497 219644541 /nfs/dbraw/zinc/64/45/41/219644541.db2.gz JAXXNGNICSFUCZ-UHFFFAOYSA-N 0 0 361.361 3.624 50 30 FHEARN C#CCOc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OCC ZINC000005129215 219653137 /nfs/dbraw/zinc/65/31/37/219653137.db2.gz BZGJYHKOQMZTMB-VMPITWQZSA-N 0 0 350.370 3.722 50 30 FHEARN CCOC(=O)c1ccc(-n2c(C)cc(C=C(C(C)=O)C(C)=O)c2C)cc1 ZINC000005174773 219658536 /nfs/dbraw/zinc/65/85/36/219658536.db2.gz UEGCEUQQLSKQCX-UHFFFAOYSA-N 0 0 353.418 3.832 50 30 FHEARN CC1(C)Cc2occc2/C(=N\OC(=O)c2cc3ccccc3oc2=O)C1 ZINC000005324070 219671208 /nfs/dbraw/zinc/67/12/08/219671208.db2.gz QZJQNDQMPWGFKN-QNGOZBTKSA-N 0 0 351.358 3.920 50 30 biogenic FHEARN CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(C#N)cc1 ZINC000006309052 219723522 /nfs/dbraw/zinc/72/35/22/219723522.db2.gz ZMTXLZZFUQFARO-UHFFFAOYSA-N 0 0 362.216 3.576 50 30 FHEARN CCc1nnc(NC(=O)C(=O)c2cc(C)n(-c3ccccc3)c2C)s1 ZINC000006780902 219769514 /nfs/dbraw/zinc/76/95/14/219769514.db2.gz UOWWOASNSHNDSV-UHFFFAOYSA-N 0 0 354.435 3.979 50 30 FHEARN COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2F)cc1 ZINC000006819741 219774485 /nfs/dbraw/zinc/77/44/85/219774485.db2.gz SHNSJIYHHFCBLI-PBHICJAKSA-N 0 0 365.404 3.839 50 30 FHEARN CC(C)CNc1nnc(S[C@H](C)C(=O)Nc2cccc(C#N)c2)s1 ZINC000007249969 219796748 /nfs/dbraw/zinc/79/67/48/219796748.db2.gz BYCRDWBJPHDVGU-LLVKDONJSA-N 0 0 361.496 3.597 50 30 FHEARN N#Cc1cccc(NC(=O)CCCNC(=O)C23CC4CC(CC(C4)C2)C3)c1 ZINC000008269813 219856757 /nfs/dbraw/zinc/85/67/57/219856757.db2.gz XCFVLYZTESGSCL-UHFFFAOYSA-N 0 0 365.477 3.610 50 30 FHEARN O=C1C[C@@H](c2ccccc2)CC2=Nc3ncnn3[C@@H](c3ccc(F)cc3)C12 ZINC000009359167 219878902 /nfs/dbraw/zinc/87/89/02/219878902.db2.gz RHDFSFOXMIXPND-YWZLYKJASA-N 0 0 360.392 3.833 50 30 FHEARN N#Cc1nc(-c2ccccc2F)oc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000334162406 223132278 /nfs/dbraw/zinc/13/22/78/223132278.db2.gz NIEKITOFCZUXDF-UHFFFAOYSA-N 0 0 362.769 3.839 50 30 FHEARN C#CCN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O ZINC000012342687 219983148 /nfs/dbraw/zinc/98/31/48/219983148.db2.gz YURUDRKAXOPGEN-XNTDXEJSSA-N 0 0 354.343 3.524 50 30 FHEARN C=C(C)CN(CC)C(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1 ZINC000012476584 220000607 /nfs/dbraw/zinc/00/06/07/220000607.db2.gz OEHLVBCUFDJUFV-UHFFFAOYSA-N 0 0 370.493 3.505 50 30 FHEARN COc1cc(C#N)ccc1OCC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000012516776 220001460 /nfs/dbraw/zinc/00/14/60/220001460.db2.gz ZQPNKBXURTWCAQ-UHFFFAOYSA-N 0 0 361.401 3.631 50 30 FHEARN CCOC(=O)C1=C(Nc2ccccc2)OC(=Cc2c(F)cccc2F)C1=O ZINC000012522927 220003145 /nfs/dbraw/zinc/00/31/45/220003145.db2.gz AHWMJSLDWARMEC-WJDWOHSUSA-N 0 0 371.339 3.792 50 30 FHEARN COC(=O)[C@H](C#N)c1nc2ccccc2nc1N[C@@H](C)c1cccs1 ZINC000012567827 220008585 /nfs/dbraw/zinc/00/85/85/220008585.db2.gz HTJLKTJOXUJGRF-NWDGAFQWSA-N 0 0 352.419 3.645 50 30 FHEARN C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000012615523 220013214 /nfs/dbraw/zinc/01/32/14/220013214.db2.gz KYEALTQSYSPVJA-HNNXBMFYSA-N 0 0 350.393 3.781 50 30 FHEARN Cc1nc(-c2ccc(CNC(=O)[C@@H](C)Oc3ccc(C#N)cc3)o2)cs1 ZINC000012619008 220014077 /nfs/dbraw/zinc/01/40/77/220014077.db2.gz FRLNWIRMIXTRJJ-GFCCVEGCSA-N 0 0 367.430 3.667 50 30 FHEARN COc1ccc(S(=O)(=O)Nc2cccc(C#Cc3cccs3)c2)cc1 ZINC000012631533 220015386 /nfs/dbraw/zinc/01/53/86/220015386.db2.gz HPULYGDDRKJDDA-UHFFFAOYSA-N 0 0 369.467 3.957 50 30 FHEARN CC(=O)N[C@H](C)c1ccc(C2=NN/C(=N/C3CCCCC3)SC2)cc1 ZINC000012685834 220018434 /nfs/dbraw/zinc/01/84/34/220018434.db2.gz WSKZQWLAROPZQN-CYBMUJFWSA-N 0 0 358.511 3.613 50 30 FHEARN N#Cc1cccc(OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 ZINC000012798999 220031064 /nfs/dbraw/zinc/03/10/64/220031064.db2.gz VRFZZPLBGJHPGW-UHFFFAOYSA-N 0 0 352.724 3.831 50 30 FHEARN N#Cc1ccc(S(=O)(=O)N[C@H](c2cccs2)c2ccc(F)cc2)cc1 ZINC000012876473 220037579 /nfs/dbraw/zinc/03/75/79/220037579.db2.gz PXDCBVBYPZEBGN-SFHVURJKSA-N 0 0 372.446 3.827 50 30 FHEARN C=CCNC(=O)C1(c2ccc(NC(=O)c3ccc(F)cc3)cc2)CCC1 ZINC000013350746 220064907 /nfs/dbraw/zinc/06/49/07/220064907.db2.gz VVFRBIHOXKHIIJ-UHFFFAOYSA-N 0 0 352.409 3.802 50 30 FHEARN Cc1cccc(/N=C2/NC(=O)[C@H](Cc3cccc(C(F)(F)F)c3)S2)n1 ZINC000013479802 220069696 /nfs/dbraw/zinc/06/96/96/220069696.db2.gz IGJBAVRAVZQXCW-ZDUSSCGKSA-N 0 0 365.380 3.871 50 30 FHEARN COc1ccccc1/C=N/N=C1/S[C@@H](C)C(=O)N1Cc1ccc(F)cc1 ZINC000013563754 220075353 /nfs/dbraw/zinc/07/53/53/220075353.db2.gz XHTDHQCBSYIFBW-GOLOZUJYSA-N 0 0 371.437 3.688 50 30 FHEARN CC(C)c1ccc(C#N)c(S[C@@H]2CC(=O)N(c3ccccc3)C2=O)n1 ZINC000013579084 220076435 /nfs/dbraw/zinc/07/64/35/220076435.db2.gz WZDGFYOIVOFNJB-MRXNPFEDSA-N 0 0 351.431 3.501 50 30 FHEARN CCOC(=O)c1noc(C)c1CSc1nc(C(F)F)cc(C)c1C#N ZINC000013641166 220079997 /nfs/dbraw/zinc/07/99/97/220079997.db2.gz BUWSFDUYLYFVRF-UHFFFAOYSA-N 0 0 367.377 3.965 50 30 FHEARN COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)CCC3)c(OC)c1OC ZINC000013721637 220089189 /nfs/dbraw/zinc/08/91/89/220089189.db2.gz FHCUSFPBOZPJIO-MRXNPFEDSA-N 0 0 370.405 3.573 50 30 FHEARN C=CCOC(=O)COc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O ZINC000013768534 220093581 /nfs/dbraw/zinc/09/35/81/220093581.db2.gz AELWJVSBNZFHEB-YBEGLDIGSA-N 0 0 356.399 3.781 50 30 FHEARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N\c1ccccc1 ZINC000013879877 220097713 /nfs/dbraw/zinc/09/77/13/220097713.db2.gz YSLZETIPFDBOJO-VFOOBRQFSA-N 0 0 371.437 3.806 50 30 FHEARN CCOc1ccc([C@H]2CCCN2C(=O)COc2ccccc2C#N)cc1 ZINC000014159412 220110793 /nfs/dbraw/zinc/11/07/93/220110793.db2.gz ASZXKSBXVZKVAS-LJQANCHMSA-N 0 0 350.418 3.699 50 30 FHEARN C=CCc1cc(C(=O)Nc2ccccc2C(=O)N2CCCC2)ccc1OC ZINC000014398760 220123204 /nfs/dbraw/zinc/12/32/04/220123204.db2.gz ZNSCPLQHUUOWCW-UHFFFAOYSA-N 0 0 364.445 3.912 50 30 FHEARN C=CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2OC)SC1=S ZINC000015016677 220141483 /nfs/dbraw/zinc/14/14/83/220141483.db2.gz COCFJEMHTTWWBQ-WJDWOHSUSA-N 0 0 362.520 3.929 50 30 FHEARN CC(=O)C1=C(C)Nc2sc(C#N)c(N)c2[C@H]1c1ccccc1[N+](=O)[O-] ZINC000016039273 220176443 /nfs/dbraw/zinc/17/64/43/220176443.db2.gz JINPMVTWSZXEOM-AWEZNQCLSA-N 0 0 354.391 3.531 50 30 FHEARN C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C(C)=O)nnc1C1CC1 ZINC000016726380 220192207 /nfs/dbraw/zinc/19/22/07/220192207.db2.gz PFQQNWGTJBDJQH-ZDUSSCGKSA-N 0 0 370.478 3.663 50 30 FHEARN Cc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(Br)cc2)cc1 ZINC000017016271 220199826 /nfs/dbraw/zinc/19/98/26/220199826.db2.gz URSBXXLCWDXPIO-HNNXBMFYSA-N 0 0 372.218 3.623 50 30 FHEARN CCOc1nc2c(c3nc[nH]c(=S)c3n2C)c(-c2ccccc2)c1C#N ZINC000017155188 220207881 /nfs/dbraw/zinc/20/78/81/220207881.db2.gz NWTMYDVAJFXEFU-UHFFFAOYSA-N 0 0 361.430 3.743 50 30 FHEARN N#Cc1ccc(OCCOC(=O)c2ccc(F)cc2Br)cc1 ZINC000017837103 220217837 /nfs/dbraw/zinc/21/78/37/220217837.db2.gz QXMJYPYWOJZQTE-UHFFFAOYSA-N 0 0 364.170 3.696 50 30 FHEARN CC#CCn1ccc(-c2cccc(-c3ncccc3C(=O)N3CCCC3)c2)n1 ZINC000019143792 220236611 /nfs/dbraw/zinc/23/66/11/220236611.db2.gz MNVJJDOAUIHOHD-UHFFFAOYSA-N 0 0 370.456 3.871 50 30 FHEARN CC1=C(C(=O)OC(C)C)[C@H](c2ccncc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019227844 220241750 /nfs/dbraw/zinc/24/17/50/220241750.db2.gz LMZJTHGBXDKALU-SFHVURJKSA-N 0 0 354.450 3.637 50 30 FHEARN CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000019314800 220249153 /nfs/dbraw/zinc/24/91/53/220249153.db2.gz HUXPABBBZWQTPV-KRWDZBQOSA-N 0 0 370.405 3.516 50 30 FHEARN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(O)c2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019639095 220280260 /nfs/dbraw/zinc/28/02/60/220280260.db2.gz YFNUASCVUTVBDU-LJQANCHMSA-N 0 0 369.461 3.948 50 30 FHEARN COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000019774985 220295629 /nfs/dbraw/zinc/29/56/29/220295629.db2.gz IPWHHNNOQBYLTR-QGZVFWFLSA-N 0 0 361.388 3.742 50 30 FHEARN COc1ccc(OC)c(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000019879853 220304544 /nfs/dbraw/zinc/30/45/44/220304544.db2.gz CECNIABCDGGTPI-HYARGMPZSA-N 0 0 373.884 3.509 50 30 FHEARN Cc1ccc(CN2CCN(/N=C/c3cccc(Br)c3)CC2)cc1 ZINC000020171858 220318525 /nfs/dbraw/zinc/31/85/25/220318525.db2.gz IIEOAQAMKHLNTE-KGENOOAVSA-N 0 0 372.310 3.909 50 30 FHEARN COC(=O)c1cc(C#N)c(NCc2ccc(Cl)cc2Cl)nc1C ZINC000020219171 220319118 /nfs/dbraw/zinc/31/91/18/220319118.db2.gz WCYSRLRZOWWOQI-UHFFFAOYSA-N 0 0 350.205 3.967 50 30 FHEARN C=CCN1C(=O)[C@@]([N-]c2[nH+]cccc2C)(C(F)(F)F)N=C1c1ccccc1 ZINC000020676363 220338704 /nfs/dbraw/zinc/33/87/04/220338704.db2.gz RKRWPKUQRRPRPF-SFHVURJKSA-N 0 0 374.366 3.536 50 30 FHEARN N#Cc1ccsc1NC(=O)COC(=O)c1cc(Cl)sc1Cl ZINC000021632116 220361288 /nfs/dbraw/zinc/36/12/88/220361288.db2.gz PNKWAWASVPUJGU-UHFFFAOYSA-N 0 0 361.231 3.784 50 30 FHEARN C(=N\N1CCN(C(c2ccccc2)c2ccccc2)CC1)\c1ccccn1 ZINC000022078536 220377403 /nfs/dbraw/zinc/37/74/03/220377403.db2.gz ZKFVCFICTZUOGA-PLRJNAJWSA-N 0 0 356.473 3.823 50 30 FHEARN COc1ccc(OC)c([C@H]2CCCN2C(=O)CCc2ccc(C#N)cc2)c1 ZINC000027155030 220529712 /nfs/dbraw/zinc/52/97/12/220529712.db2.gz FGHJMSJXQBRINT-HXUWFJFHSA-N 0 0 364.445 3.872 50 30 FHEARN C=CCNC(=O)Cc1cccc(N(Cc2ccccc2)C(=O)c2ccco2)c1 ZINC000037600637 220841655 /nfs/dbraw/zinc/84/16/55/220841655.db2.gz NWDBSBWPWKCPEM-UHFFFAOYSA-N 0 0 374.440 3.971 50 30 FHEARN N#Cc1ccc(OCCOC(=O)C2=Cc3cc(Cl)ccc3OC2)cc1 ZINC000040010027 220870493 /nfs/dbraw/zinc/87/04/93/220870493.db2.gz FRQDBPALKVEGMV-UHFFFAOYSA-N 0 0 355.777 3.610 50 30 FHEARN C=CCn1c(S[C@H](C)C(=O)N2CCC(C)CC2)nnc1-c1ccccc1 ZINC000040159371 220893483 /nfs/dbraw/zinc/89/34/83/220893483.db2.gz FYGMVDRDEPKLPS-MRXNPFEDSA-N 0 0 370.522 3.870 50 30 FHEARN Cc1c(N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cc(C#N)cc1[N+](=O)[O-] ZINC000048275914 221004394 /nfs/dbraw/zinc/00/43/94/221004394.db2.gz JKAJRLLSJMABSK-LBPRGKRZSA-N 0 0 350.378 3.833 50 30 FHEARN N#Cc1c(Cl)nsc1NCc1cccc(C(=O)N2CCCCC2)c1 ZINC000052073390 221036805 /nfs/dbraw/zinc/03/68/05/221036805.db2.gz GXOMZVVLYHCYIV-UHFFFAOYSA-N 0 0 360.870 3.906 50 30 FHEARN C=CCN(Cc1ccco1)C(=O)CCc1nc(-c2cccc(C)c2)no1 ZINC000055183381 221061508 /nfs/dbraw/zinc/06/15/08/221061508.db2.gz QROXYBBWRVESNR-UHFFFAOYSA-N 0 0 351.406 3.785 50 30 FHEARN C=CCNc1ccccc1C(=O)NCc1c[nH]nc1-c1ccc(OC)cc1 ZINC000055405113 221069514 /nfs/dbraw/zinc/06/95/14/221069514.db2.gz VSUWYTIKNKVWJU-UHFFFAOYSA-N 0 0 362.433 3.613 50 30 FHEARN C[C@H](NC(=O)/C=C/c1ccc(C#N)cc1)c1nc(-c2ccc(F)cc2)no1 ZINC000058209056 221107622 /nfs/dbraw/zinc/10/76/22/221107622.db2.gz JGTZDHSKTWPOQI-VKUYVZBCSA-N 0 0 362.364 3.638 50 30 FHEARN C=CCNC(=O)Nc1ccc(NC(=O)Nc2cccc(C(C)=O)c2)cc1 ZINC000058218642 221109503 /nfs/dbraw/zinc/10/95/03/221109503.db2.gz DZXUQQUBRKJDMH-UHFFFAOYSA-N 0 0 352.394 3.841 50 30 FHEARN CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc2cc(Cl)ccc2n1C ZINC000057996466 221096209 /nfs/dbraw/zinc/09/62/09/221096209.db2.gz TYDXTMFYZSRNGV-PIGZYNQJSA-N 0 0 364.902 3.762 50 30 FHEARN CCN(CC)c1ccc(C(=O)Nc2nc(C)c(SCC#N)s2)cn1 ZINC000058244915 221110083 /nfs/dbraw/zinc/11/00/83/221110083.db2.gz IRGCXEUZFNLTQN-UHFFFAOYSA-N 0 0 361.496 3.561 50 30 FHEARN Cc1cc2nc(NCCNc3cccc(F)c3C#N)c3ccccc3n2n1 ZINC000058406717 221117410 /nfs/dbraw/zinc/11/74/10/221117410.db2.gz RFMAJEKDVSPKMN-UHFFFAOYSA-N 0 0 360.396 3.726 50 30 FHEARN O=C1Nc2cc3c(cc2C1=NNc1cccc(C(F)(F)F)c1)OCCO3 ZINC000058627940 221121867 /nfs/dbraw/zinc/12/18/67/221121867.db2.gz HBPZDYYNSMSIAT-UHFFFAOYSA-N 0 0 363.295 3.894 50 30 FHEARN N#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)s2)cc1 ZINC000065085042 221168816 /nfs/dbraw/zinc/16/88/16/221168816.db2.gz GCQZIXOCEZVTJL-UHFFFAOYSA-N 0 0 368.439 3.705 50 30 FHEARN Cc1cccc([C@@]2(O)c3ccccc3N(Cc3ccc(C#N)cc3)C2=O)c1 ZINC000065155000 221173751 /nfs/dbraw/zinc/17/37/51/221173751.db2.gz RWUXUWDWPMAAMT-HSZRJFAPSA-N 0 0 354.409 3.649 50 30 FHEARN COc1ccc(C)cc1-n1ccc(C(=O)Nc2sc(C)c(C)c2C#N)n1 ZINC000065530617 221230578 /nfs/dbraw/zinc/23/05/78/221230578.db2.gz IAHLGWKSMSQOMD-UHFFFAOYSA-N 0 0 366.446 3.992 50 30 FHEARN CCOC(=O)C1=C(Nc2ccccc2)OC(=Cc2ccc(OC)cc2)C1=O ZINC000067225307 221248310 /nfs/dbraw/zinc/24/83/10/221248310.db2.gz UDAYLVFSONTLJO-GHRIWEEISA-N 0 0 365.385 3.522 50 30 FHEARN C=C(C)C(C)(C)C(=O)N1Cc2cnc(Cc3ccc(OC)cc3)nc2C1 ZINC000067472669 221256501 /nfs/dbraw/zinc/25/65/01/221256501.db2.gz LWSDBJIZVZAJDN-UHFFFAOYSA-N 0 0 351.450 3.521 50 30 FHEARN COc1cccc(-c2c[nH]nc2C2CCN(c3cccc(C#N)n3)CC2)c1 ZINC000067833530 221290879 /nfs/dbraw/zinc/29/08/79/221290879.db2.gz GPJFWKZGZLCMTA-UHFFFAOYSA-N 0 0 359.433 3.736 50 30 FHEARN CCN(CC)c1ccc(NC(=O)CSc2ncccc2C#N)c(C)c1 ZINC000071326961 221342497 /nfs/dbraw/zinc/34/24/97/221342497.db2.gz OQIRCVBAYFQIPR-UHFFFAOYSA-N 0 0 354.479 3.839 50 30 FHEARN C[C@@H]1OCc2c1nc(N)c(C#N)c2-c1cccc(OCc2ccccn2)c1 ZINC000071388727 221345470 /nfs/dbraw/zinc/34/54/70/221345470.db2.gz YTWKCHSQSJEIFI-ZDUSSCGKSA-N 0 0 358.401 3.768 50 30 FHEARN Cc1csc(-c2cc(-c3cnc(NC(C)C)nc3)c(C#N)c(N)n2)c1 ZINC000071416112 221346127 /nfs/dbraw/zinc/34/61/27/221346127.db2.gz QZQKFGFFFDUDNF-UHFFFAOYSA-N 0 0 350.451 3.850 50 30 FHEARN N#Cc1c(N)nc(-c2ccc(F)cc2C(F)(F)F)cc1[C@@H]1CCOC1 ZINC000071750972 221362586 /nfs/dbraw/zinc/36/25/86/221362586.db2.gz WEYRZTNCKUYHEP-SECBINFHSA-N 0 0 351.303 3.864 50 30 FHEARN CC(=O)Nc1cccc(-c2cc([C@@H]3CCOC(C)(C)C3)c(C#N)c(N)n2)c1 ZINC000071753877 221363941 /nfs/dbraw/zinc/36/39/41/221363941.db2.gz GNTKLMFMSWQYSV-OAHLLOKOSA-N 0 0 364.449 3.833 50 30 FHEARN Cc1n[nH]c(C)c1-c1cc(-c2c[nH]nc2-c2ccccc2)c(C#N)c(N)n1 ZINC000071759614 221366193 /nfs/dbraw/zinc/36/61/93/221366193.db2.gz YTWPUCHIISYSRS-UHFFFAOYSA-N 0 0 355.405 3.600 50 30 FHEARN C[C@]1(c2ccc(-c3ccc(Br)cc3)cc2)O[C@@H](O)C=CC1=O ZINC000071769382 221373882 /nfs/dbraw/zinc/37/38/82/221373882.db2.gz SRVMANVGDMJQHJ-QZTJIDSGSA-N 0 0 359.219 3.805 50 30 FHEARN CN(Cc1cc(C#N)ccc1F)C(=O)CN1CCCc2cc(Cl)ccc21 ZINC000225511286 132285215 /nfs/dbraw/zinc/28/52/15/132285215.db2.gz BKCRDFFXJODUGN-UHFFFAOYSA-N 0 0 371.843 3.762 50 30 FHEARN N#Cc1ccnc(N2CCc3c(ncn3CCc3ccccc3)C2)c1Cl ZINC000225653165 132285614 /nfs/dbraw/zinc/28/56/14/132285614.db2.gz OEJHVSIOFSXBON-UHFFFAOYSA-N 0 0 363.852 3.609 50 30 FHEARN C=CCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)SC2 ZINC000012384527 132373437 /nfs/dbraw/zinc/37/34/37/132373437.db2.gz MYUQKRYPFNWZRZ-UHFFFAOYSA-N 0 0 361.536 3.636 50 30 FHEARN C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)C(C)(C)C)n3)cc21 ZINC000019820165 132373851 /nfs/dbraw/zinc/37/38/51/132373851.db2.gz LPAOSYLDXUDJEI-UHFFFAOYSA-N 0 0 371.462 3.706 50 30 FHEARN N#Cc1cccc(C(=O)N[C@H]2CCC[C@H](OC(=O)Nc3ccccc3)C2)c1 ZINC000075165899 221577130 /nfs/dbraw/zinc/57/71/30/221577130.db2.gz OITVSGONONODKR-OALUTQOASA-N 0 0 363.417 3.848 50 30 FHEARN O=C(NCC#Cc1ccccc1)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000089821632 221742548 /nfs/dbraw/zinc/74/25/48/221742548.db2.gz OSIRNNJTCXFAFA-SFHVURJKSA-N 0 0 373.239 3.654 50 30 FHEARN Cc1nn(-c2ccccc2)c(COc2ccc(CO)cc2Cl)c1C#N ZINC000095435625 221903655 /nfs/dbraw/zinc/90/36/55/221903655.db2.gz MZAAJMGBUALRRZ-UHFFFAOYSA-N 0 0 353.809 3.777 50 30 FHEARN CCSc1ccccc1C(=O)N1CCC(Oc2ncccc2C#N)CC1 ZINC000096102874 222023716 /nfs/dbraw/zinc/02/37/16/222023716.db2.gz XCBGKPAWCCZCCK-UHFFFAOYSA-N 0 0 367.474 3.749 50 30 FHEARN CCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C ZINC000096019696 221991579 /nfs/dbraw/zinc/99/15/79/221991579.db2.gz YBQBLWYMTOXAKT-UHFFFAOYSA-N 0 0 366.531 3.532 50 30 FHEARN N#Cc1ccccc1/C=C\C(=O)Nc1nc2ccccc2nc1N1CCCC1 ZINC000096297765 222112907 /nfs/dbraw/zinc/11/29/07/222112907.db2.gz GAQNJHQJQNMBTB-QXMHVHEDSA-N 0 0 369.428 3.754 50 30 FHEARN CCOc1cc(/C=C2/CCS(=O)(=O)c3ccccc3C2=O)ccc1OC ZINC000096314815 222113540 /nfs/dbraw/zinc/11/35/40/222113540.db2.gz ITUXGOPFQHQDDX-QINSGFPZSA-N 0 0 372.442 3.538 50 30 FHEARN CCc1nc(C#N)c(NC[C@H](c2ccc(C(C)C)cc2)N2CCOCC2)o1 ZINC000096346418 222116126 /nfs/dbraw/zinc/11/61/26/222116126.db2.gz QVHSYBZSKMQGDZ-LJQANCHMSA-N 0 0 368.481 3.717 50 30 FHEARN CCc1nc(C#N)c(NC[C@@H](c2ccc(C(C)C)cc2)N2CCOCC2)o1 ZINC000096346417 222116378 /nfs/dbraw/zinc/11/63/78/222116378.db2.gz QVHSYBZSKMQGDZ-IBGZPJMESA-N 0 0 368.481 3.717 50 30 FHEARN Cc1c(/N=C2/C=C(C)C(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000096486170 222121506 /nfs/dbraw/zinc/12/15/06/222121506.db2.gz FCVCYXFFXXFOJA-NMWGTECJSA-N 0 0 357.413 3.748 50 30 FHEARN CN(CC(=O)Nc1cccc2ccccc21)C(=O)/C=C\c1ccc(C#N)cc1 ZINC000096544377 222124037 /nfs/dbraw/zinc/12/40/37/222124037.db2.gz KPQCCHJCHJXWPS-YPKPFQOOSA-N 0 0 369.424 3.822 50 30 FHEARN N#Cc1cccc(NC(=O)C(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)c1 ZINC000097001671 222149470 /nfs/dbraw/zinc/14/94/70/222149470.db2.gz PXIFWZRYRAXYFV-FQEVSTJZSA-N 0 0 372.428 3.732 50 30 FHEARN N#Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H]1Cc1cccc(F)c1 ZINC000097491926 222184476 /nfs/dbraw/zinc/18/44/76/222184476.db2.gz WQLHMHGAEYKJJY-SFHVURJKSA-N 0 0 371.843 3.996 50 30 FHEARN N#Cc1ccc(OS(=O)(=O)c2cnc(Cl)c(Cl)c2)c(Cl)c1 ZINC000097593009 222194279 /nfs/dbraw/zinc/19/42/79/222194279.db2.gz QBHHAXKDIJAQFD-UHFFFAOYSA-N 0 0 363.609 3.681 50 30 FHEARN N#CC1(c2ccccc2)CCN(C(=O)c2cccc(-c3ncc[nH]3)c2)CC1 ZINC000097729781 222208375 /nfs/dbraw/zinc/20/83/75/222208375.db2.gz QVPJFCIPOLWQAK-UHFFFAOYSA-N 0 0 356.429 3.774 50 30 FHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(O)cc1 ZINC000100066748 222234941 /nfs/dbraw/zinc/23/49/41/222234941.db2.gz RPUFWMDMKAQHTF-SFHVURJKSA-N 0 0 361.397 3.524 50 30 FHEARN Cc1c(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C ZINC000100164503 222238289 /nfs/dbraw/zinc/23/82/89/222238289.db2.gz KQKIASXYHXCNJG-RGVLZGJSSA-N 0 0 370.796 3.797 50 30 FHEARN COc1ccc(C2CC(=O)C(=CNc3ccc([N+](=O)[O-])cc3)C(=O)C2)cc1 ZINC000100424075 222243854 /nfs/dbraw/zinc/24/38/54/222243854.db2.gz UJGJWQKWSRXZPA-UHFFFAOYSA-N 0 0 366.373 3.615 50 30 FHEARN C=CCn1c2ccccc2nc1-c1nc2c(-c3cccnc3)[nH]n(C)c-2n1 ZINC000101366469 222272282 /nfs/dbraw/zinc/27/22/82/222272282.db2.gz ZQTIXSKJJBZQFC-UHFFFAOYSA-N 0 0 355.405 3.561 50 30 FHEARN CC/N=C1/S/C(=C\c2cn(C(C)=O)nc2-c2ccccc2)C(=O)N1CC ZINC000102601420 222301460 /nfs/dbraw/zinc/30/14/60/222301460.db2.gz FHVOWLZADYKQMF-NIPZQEADSA-N 0 0 368.462 3.522 50 30 FHEARN Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2)no1 ZINC000102888932 222313467 /nfs/dbraw/zinc/31/34/67/222313467.db2.gz IAYVZBZKVMSPJY-LFVOPCPISA-N 0 0 374.396 3.918 50 30 FHEARN N#Cc1ccc(Oc2ccc(NC(=O)N[C@H]3CCc4n[nH]cc4C3)cc2)cc1 ZINC000163106755 222554965 /nfs/dbraw/zinc/55/49/65/222554965.db2.gz UELLQFQNHUZCGH-KRWDZBQOSA-N 0 0 373.416 3.753 50 30 FHEARN Cc1cc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)c2ccccc2n1 ZINC000002627449 263145598 /nfs/dbraw/zinc/14/55/98/263145598.db2.gz WLYHJSVZWCHNOW-UHFFFAOYSA-N 0 0 373.412 3.647 50 30 FHEARN C=CCn1c(SC[C@H]2CCCCO2)nc2sc(CC)cc2c1=O ZINC000003318892 263328942 /nfs/dbraw/zinc/32/89/42/263328942.db2.gz BQSOLAPQSKWPCN-GFCCVEGCSA-N 0 0 350.509 3.868 50 30 FHEARN CC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000004681805 263335776 /nfs/dbraw/zinc/33/57/76/263335776.db2.gz YUEISTHTGGNRTR-GOSISDBHSA-N 0 0 354.406 3.788 50 30 FHEARN Cc1cc(OCC(=O)ONC(=N)c2ccc(Cl)cc2)ccc1Cl ZINC000004725341 263336611 /nfs/dbraw/zinc/33/66/11/263336611.db2.gz WCGIKCDXBNNMKF-UHFFFAOYSA-N 0 0 353.205 3.544 50 30 FHEARN N=C(NOC(=O)COc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000004725373 263336709 /nfs/dbraw/zinc/33/67/09/263336709.db2.gz JUYICZAWQPDQTD-UHFFFAOYSA-N 0 0 373.623 3.889 50 30 FHEARN O=C1C=CC(=O)N1c1ccccc1SC(F)(F)C(F)(F)C(F)(F)F ZINC000005016488 263337880 /nfs/dbraw/zinc/33/78/80/263337880.db2.gz XJVSMRJDHGOSFS-UHFFFAOYSA-N 0 0 373.249 3.999 50 30 FHEARN COc1ccc2c(CSc3nc(C)cc(C)c3C#N)cc(=O)oc2c1 ZINC000005642494 263343137 /nfs/dbraw/zinc/34/31/37/263343137.db2.gz BSJDHMVWPCGUPJ-UHFFFAOYSA-N 0 0 352.415 3.977 50 30 FHEARN C=CCNc1nc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)cs1 ZINC000006549738 263345945 /nfs/dbraw/zinc/34/59/45/263345945.db2.gz KDJOGVKUJRXHRK-UHFFFAOYSA-N 0 0 360.479 3.683 50 30 FHEARN C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1)C(=O)NC1(C#N)CCCCC1 ZINC000007108951 263349264 /nfs/dbraw/zinc/34/92/64/263349264.db2.gz YCIBUFGIEBPWKN-LLVKDONJSA-N 0 0 369.248 3.881 50 30 FHEARN C=CCn1c2ccccc2c2nnc(SCn3nnc4ccccc43)nc21 ZINC000009668851 263362222 /nfs/dbraw/zinc/36/22/22/263362222.db2.gz CZIZIVFXPZMGLE-UHFFFAOYSA-N 0 0 373.445 3.660 50 30 FHEARN O=c1c(/C=N/Cc2ccccc2)c(NCc2ccccc2)nc2ccccn21 ZINC000018193914 263373376 /nfs/dbraw/zinc/37/33/76/263373376.db2.gz WEEQZZWITDXJGY-JJIBRWJFSA-N 0 0 368.440 3.926 50 30 FHEARN O=c1[nH][nH]c2c1[C@H](c1cccc(Cl)c1Cl)C1=C(CCCC1=O)N2 ZINC000018195504 263373413 /nfs/dbraw/zinc/37/34/13/263373413.db2.gz WQLWGHOPFSZGJQ-LLVKDONJSA-N 0 0 350.205 3.987 50 30 FHEARN CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccn1 ZINC000019638531 263375273 /nfs/dbraw/zinc/37/52/73/263375273.db2.gz UGTZYXZUNXEWER-HXUWFJFHSA-N 0 0 354.450 3.783 50 30 FHEARN Brc1cccc(/C=N/N2CCN(Cc3ccccc3)CC2)c1 ZINC000019771486 263375927 /nfs/dbraw/zinc/37/59/27/263375927.db2.gz RMVJSHOIENRKIK-XSFVSMFZSA-N 0 0 358.283 3.601 50 30 FHEARN C=CCN(C(=O)[C@H](C)n1nc(-c2ccccc2)ccc1=O)c1ccccc1 ZINC000021783725 263385042 /nfs/dbraw/zinc/38/50/42/263385042.db2.gz NIEPAZXFVVSJIB-KRWDZBQOSA-N 0 0 359.429 3.691 50 30 FHEARN CC(C)c1ccc(C#N)c(N2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)n1 ZINC000426727547 263665828 /nfs/dbraw/zinc/66/58/28/263665828.db2.gz VHHYXDLTKKWUQV-IBGZPJMESA-N 0 0 374.488 3.719 50 30 FHEARN C(=N/N1CCN(c2ccccn2)CC1)\c1cccc(OCc2ccccc2)c1 ZINC000100574668 518376922 /nfs/dbraw/zinc/37/69/22/518376922.db2.gz YBWSOZFLRHWWGC-XIEYBQDHSA-N 0 0 372.472 3.817 50 30 FHEARN C(=NN1CCN(c2ccccn2)CC1)c1ccc(OCc2ccccc2)cc1 ZINC000238882204 518378861 /nfs/dbraw/zinc/37/88/61/518378861.db2.gz CSMUIIHZLFOIRP-UHFFFAOYSA-N 0 0 372.472 3.817 50 30 FHEARN C=CCC[C@H](O)CN(Cc1ccc2c(c1)OCO2)Cc1ccccc1F ZINC000036103159 518726055 /nfs/dbraw/zinc/72/60/55/518726055.db2.gz APARHHCPAXKCFK-SFHVURJKSA-N 0 0 357.425 3.884 50 30 FHEARN C=CCN(CC(=O)Nc1ncc(C)s1)C(=O)c1cccc2ccccc21 ZINC000035746342 518759737 /nfs/dbraw/zinc/75/97/37/518759737.db2.gz AOLQDAPKOKZSRO-UHFFFAOYSA-N 0 0 365.458 3.872 50 30 FHEARN C=CCS[C@@H](C)C(=O)N(Cc1cccnc1)Cc1ccc2c(c1)OCO2 ZINC000055310752 519076449 /nfs/dbraw/zinc/07/64/49/519076449.db2.gz YAJCFDYNEVKQIQ-HNNXBMFYSA-N 0 0 370.474 3.647 50 30 FHEARN C=CCn1c(C)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000006909900 519172152 /nfs/dbraw/zinc/17/21/52/519172152.db2.gz MQNMNOHBRVEJNO-UHFFFAOYSA-N 0 0 357.266 3.810 50 30 FHEARN C=CCn1c(SCC(=O)N2C[C@H](C)C[C@H](C)C2)nnc1-c1ccccc1 ZINC000018068186 519204577 /nfs/dbraw/zinc/20/45/77/519204577.db2.gz RDFFTXVOAZTDIE-IYBDPMFKSA-N 0 0 370.522 3.728 50 30 FHEARN C=CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1ccco1 ZINC000008744569 519211055 /nfs/dbraw/zinc/21/10/55/519211055.db2.gz QJUZYNWSNCHYJJ-KBPBESRZSA-N 0 0 360.483 3.511 50 30 FHEARN C=CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1 ZINC000002848352 519224048 /nfs/dbraw/zinc/22/40/48/519224048.db2.gz XXXPLTUTQRCROU-UHFFFAOYSA-N 0 0 350.447 3.862 50 30 FHEARN C=CCn1c(S[C@@H](C)C(=O)c2ccc(OC)c(OC)c2)nnc1C1CC1 ZINC000058217016 519254099 /nfs/dbraw/zinc/25/40/99/519254099.db2.gz USRIMHQSAIGJEG-LBPRGKRZSA-N 0 0 373.478 3.722 50 30 FHEARN C=CCn1cc(-c2cn([C@H](C)c3nc4c(s3)CCCC4)nn2)c(C)n1 ZINC000091965026 519276041 /nfs/dbraw/zinc/27/60/41/519276041.db2.gz KCVHFJDOFCFQIK-CYBMUJFWSA-N 0 0 354.483 3.581 50 30 FHEARN C=CCn1cc(CN2CCc3nc[nH]c3[C@@H]2c2cc3ccccc3o2)cn1 ZINC000067724087 519279961 /nfs/dbraw/zinc/27/99/61/519279961.db2.gz GEJIDPFBWPEIGM-NRFANRHFSA-N 0 0 359.433 3.686 50 30 FHEARN C=C[C@H]1CCCCN1C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1 ZINC000225618786 519300083 /nfs/dbraw/zinc/30/00/83/519300083.db2.gz LJCMAJIUDLRKNO-INIZCTEOSA-N 0 0 372.490 3.937 50 30 FHEARN CC(=O)C1=C(Nc2ccccc2)C[C@](C)(O)[C@H](C(C)=O)[C@H]1c1ccco1 ZINC000252694714 519367858 /nfs/dbraw/zinc/36/78/58/519367858.db2.gz OUCQPFCLFGZBQQ-HBMCJLEFSA-N 0 0 353.418 3.678 50 30 FHEARN CCCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCC1 ZINC000002306530 520092156 /nfs/dbraw/zinc/09/21/56/520092156.db2.gz GVYUAJWHAXPHER-INIZCTEOSA-N 0 0 365.481 3.534 50 30 FHEARN CCCOc1ccc(CNC(=S)NN=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000008673134 520341064 /nfs/dbraw/zinc/34/10/64/520341064.db2.gz BMOJSMHJGXWXEU-DEDYPNTBSA-N 0 0 372.450 3.793 50 30 FHEARN CCOc1c(Cl)cc(C(=O)N(CCC#N)Cc2ccco2)cc1OC ZINC000060852349 520595670 /nfs/dbraw/zinc/59/56/70/520595670.db2.gz GBJCPRXDEGZGSX-UHFFFAOYSA-N 0 0 362.813 3.896 50 30 FHEARN CCOc1cc(C=Nc2nc[nH]n2)ccc1OCCOc1ccc(C)cc1 ZINC000004549414 520645326 /nfs/dbraw/zinc/64/53/26/520645326.db2.gz HEOASVRSHIAFOX-FYJGNVAPSA-N 0 0 366.421 3.720 50 30 FHEARN CCOc1ccc(/C=C\C(=O)c2ccc(N3CCOCC3)cc2)cc1OC ZINC000035419099 520852582 /nfs/dbraw/zinc/85/25/82/520852582.db2.gz KEJCULKAORSGJK-WMZJFQQLSA-N 0 0 367.445 3.827 50 30 FHEARN CCOC(=O)Cc1csc(N=NCc2ccc(C(F)(F)F)cc2)n1 ZINC000004860309 520908390 /nfs/dbraw/zinc/90/83/90/520908390.db2.gz WZNOYEYUHXNTHD-UFWORHAWSA-N 0 0 357.357 3.714 50 30 FHEARN CCCN(CCC#N)C(=O)c1nc(Cc2ccccc2)n(-c2ccccc2)n1 ZINC000034911094 521628328 /nfs/dbraw/zinc/62/83/28/521628328.db2.gz DIKDYKVCBOSYBY-UHFFFAOYSA-N 0 0 373.460 3.624 50 30 FHEARN COC(=O)c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000239173705 521989903 /nfs/dbraw/zinc/98/99/03/521989903.db2.gz OMDRTGMBVJSFJV-UHFFFAOYSA-N 0 0 372.837 3.556 50 30 FHEARN COc1cc(C(=O)/C=C/c2c(C)nc3sc(C)cn23)cc(OC)c1OC ZINC000008745268 522050728 /nfs/dbraw/zinc/05/07/28/522050728.db2.gz XQOQJBRVVAWEMU-VOTSOKGWSA-N 0 0 372.446 3.935 50 30 FHEARN COc1cc(CCC(=O)CC(=O)CCc2ccc(O)c(OC)c2)ccc1O ZINC000100190381 522321183 /nfs/dbraw/zinc/32/11/83/522321183.db2.gz PNTMRHGYQCMNCZ-SSZFMOIBSA-N 0 0 372.417 3.691 50 30 biogenic,in-vitro FHEARN COC(=O)C(CC(=O)c1ccccc1)=Nc1ccc(Br)cc1 ZINC000100274400 522739973 /nfs/dbraw/zinc/73/99/73/522739973.db2.gz CHKNWOHQCOLVBF-RVDMUPIBSA-N 0 0 360.207 3.801 50 30 FHEARN COC(=O)/C=C1\CC[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@@H]3C(=O)C[C@@]12C ZINC000257359331 522742245 /nfs/dbraw/zinc/74/22/45/522742245.db2.gz ZRBBCVQLZFVRCK-PDTTXDJCSA-N 0 0 354.446 3.573 50 30 FHEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)Cc1cccs1 ZINC000018087205 524033612 /nfs/dbraw/zinc/03/36/12/524033612.db2.gz RLCJNCUVHSEVSW-WQRHYEAKSA-N 0 0 355.459 3.714 50 30 FHEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)c1ccc(C#N)cc1 ZINC000018059399 524034455 /nfs/dbraw/zinc/03/44/55/524034455.db2.gz NWJXYZPQPBIBSB-NDENLUEZSA-N 0 0 360.413 3.596 50 30 FHEARN Cc1cc(C)c(C(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)cc1C ZINC000003401748 524220161 /nfs/dbraw/zinc/22/01/61/524220161.db2.gz JLVPESOYIOWMMX-UHFFFAOYSA-N 0 0 364.401 3.504 50 30 FHEARN COc1ccc(OC)c(C=NN2CCN(c3ccc(Cl)cc3)CC2)c1 ZINC000245238256 524811285 /nfs/dbraw/zinc/81/12/85/524811285.db2.gz HPKFKJZMHQCMNS-UHFFFAOYSA-N 0 0 359.857 3.513 50 30 FHEARN C=CCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 ZINC000046078755 534864777 /nfs/dbraw/zinc/86/47/77/534864777.db2.gz FJCUCBVRDCCYPX-UHFFFAOYSA-N 0 0 354.837 3.849 50 30 FHEARN COc1cccc(-c2nnc(SCCCC3(C#N)CCOCC3)n2C)c1 ZINC000225569886 525733880 /nfs/dbraw/zinc/73/38/80/525733880.db2.gz IWJKMRUGVZEFGK-UHFFFAOYSA-N 0 0 372.494 3.683 50 30 FHEARN C[C@H](OC(=O)CC[C@@H]1CCCO1)C(=O)/C=C1\N(C)c2ccccc2C1(C)C ZINC000098054666 525882921 /nfs/dbraw/zinc/88/29/21/525882921.db2.gz YADRXVKJWWQTAI-GBNHQUFPSA-N 0 0 371.477 3.758 50 30 FHEARN C[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)c1ccc(Cl)cc1 ZINC000004828086 525891297 /nfs/dbraw/zinc/89/12/97/525891297.db2.gz AAAFKGHMLYMVJD-LBPRGKRZSA-N 0 0 370.792 3.620 50 30 FHEARN C[C@@H](SC(=NC#N)Nc1ccccc1)C(=O)Nc1ccc(Cl)cn1 ZINC000013575136 525967702 /nfs/dbraw/zinc/96/77/02/525967702.db2.gz HAFMDUMCZJWGEB-LLVKDONJSA-N 0 0 359.842 3.744 50 30 FHEARN C[C@H](SC(=NC#N)Nc1ccccc1)C(=O)Nc1ccc(Cl)cn1 ZINC000013575139 525971233 /nfs/dbraw/zinc/97/12/33/525971233.db2.gz HAFMDUMCZJWGEB-NSHDSACASA-N 0 0 359.842 3.744 50 30 FHEARN Cc1c2cccc(Cl)c2oc1C(=O)OCC(=O)N[C@](C)(C#N)C(C)C ZINC000007737201 525972880 /nfs/dbraw/zinc/97/28/80/525972880.db2.gz PUNMMMNXFRLXFT-GOSISDBHSA-N 0 0 362.813 3.606 50 30 FHEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1cccnc1 ZINC000244724647 526390264 /nfs/dbraw/zinc/39/02/64/526390264.db2.gz MXZDWHJOWZQQHS-UHFFFAOYSA-N 0 0 350.234 3.818 50 30 FHEARN N#CC1(c2ccccc2)CCN(C(=O)c2cccc(Cn3cccn3)c2)CC1 ZINC000091306150 526438079 /nfs/dbraw/zinc/43/80/79/526438079.db2.gz HRZGRUSBDWHCDI-UHFFFAOYSA-N 0 0 370.456 3.629 50 30 FHEARN Cc1nnsc1-c1onc(C)c1C(=O)O/N=C/c1cccc(Cl)c1 ZINC000004394531 526439606 /nfs/dbraw/zinc/43/96/06/526439606.db2.gz FEWLVRVXPKQOMD-REZTVBANSA-N 0 0 362.798 3.654 50 30 FHEARN N#CCC(=O)Nc1ccc(C(=O)OCc2ccccc2C(F)(F)F)cc1 ZINC000005813369 526443232 /nfs/dbraw/zinc/44/32/32/526443232.db2.gz BIZWRGNKWRATJH-UHFFFAOYSA-N 0 0 362.307 3.915 50 30 FHEARN N#CCCN(C(=O)CSc1n[nH]c(-c2cccs2)n1)c1ccccc1 ZINC000003286882 526450755 /nfs/dbraw/zinc/45/07/55/526450755.db2.gz HMGNFKGBJAPOJB-UHFFFAOYSA-N 0 0 369.475 3.572 50 30 FHEARN N#CCCN(Cc1ccco1)C(=O)COc1ccc(Cl)cc1Cl ZINC000007891042 526457356 /nfs/dbraw/zinc/45/73/56/526457356.db2.gz CANIFQVWLSYFDX-UHFFFAOYSA-N 0 0 353.205 3.908 50 30 FHEARN N#CCCn1cc(C(=O)COc2cc(F)ccc2[N+](=O)[O-])c2ccccc21 ZINC000005624216 526466605 /nfs/dbraw/zinc/46/66/05/526466605.db2.gz QAAIJNWPRWVXLQ-UHFFFAOYSA-N 0 0 367.336 3.864 50 30 FHEARN N#C[C@@H](C(=O)OCc1ccccc1)c1nc2ccccc2nc1N1CCCC1 ZINC000005100307 526493317 /nfs/dbraw/zinc/49/33/17/526493317.db2.gz YEXBJCKLEBUEBF-QGZVFWFLSA-N 0 0 372.428 3.581 50 30 FHEARN Cc1nc(-c2cccc(N[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c2)cs1 ZINC000008429243 526593293 /nfs/dbraw/zinc/59/32/93/526593293.db2.gz LEVRPDWMNOFUTJ-ORAYPTAESA-N 0 0 356.495 3.973 50 30 FHEARN Cc1nc(C)c(C(=O)OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)s1 ZINC000004503677 526704802 /nfs/dbraw/zinc/70/48/02/526704802.db2.gz XLDHJYGPCGNTHZ-YVLHZVERSA-N 0 0 370.474 3.797 50 30 FHEARN N=C(NOC(=O)CCCc1ccccc1)c1ccc(Br)cc1 ZINC000004755220 526806946 /nfs/dbraw/zinc/80/69/46/526806946.db2.gz VSBUURBVOWBFJQ-UHFFFAOYSA-N 0 0 361.239 3.636 50 30 FHEARN NC(=O)C(=NNc1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 ZINC000254758777 526846616 /nfs/dbraw/zinc/84/66/16/526846616.db2.gz RFQVEEVSSMKERF-UHFFFAOYSA-N 0 0 364.352 3.617 50 30 FHEARN Cc1sc2nc(C)nc(SCC(=O)N[C@](C)(C#N)C3CC3)c2c1C ZINC000004799437 526888772 /nfs/dbraw/zinc/88/87/72/526888772.db2.gz UMPUUQSTICFODD-QGZVFWFLSA-N 0 0 360.508 3.517 50 30 FHEARN Cc1nc(SCC(=O)N[C@@](C)(C#N)C2CC2)n(C2CCCCC2)c1C ZINC000010870872 527016896 /nfs/dbraw/zinc/01/68/96/527016896.db2.gz NCNYHJVWOSIRMV-IBGZPJMESA-N 0 0 360.527 3.906 50 30 FHEARN Cc1nc2ccccc2c(SCC(=O)N(C)C2(C#N)CCCCC2)n1 ZINC000004241812 527160016 /nfs/dbraw/zinc/16/00/16/527160016.db2.gz DWTWTZUYOQHCBI-UHFFFAOYSA-N 0 0 354.479 3.715 50 30 FHEARN O=S(=O)(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1 ZINC000004366033 527203194 /nfs/dbraw/zinc/20/31/94/527203194.db2.gz COMCNOSXVBTLSL-RCCKNPSSSA-N 0 0 366.442 3.578 50 30 FHEARN O=C(Cc1ccc(F)cc1)NCC#CCOc1cccc(C(F)(F)F)c1 ZINC000090610464 527230045 /nfs/dbraw/zinc/23/00/45/527230045.db2.gz JRRNGOAJYNFGSV-UHFFFAOYSA-N 0 0 365.326 3.586 50 30 FHEARN O=C(/C=C\c1ccco1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000096134001 527659393 /nfs/dbraw/zinc/65/93/93/527659393.db2.gz UXRKEEQXWILITP-QXMHVHEDSA-N 0 0 353.399 3.977 50 30 FHEARN CCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCC1 ZINC000002317810 535060856 /nfs/dbraw/zinc/06/08/56/535060856.db2.gz HYQKBKSJTYTEBM-INIZCTEOSA-N 0 0 365.481 3.534 50 30 FHEARN COc1ccc(-c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)cc1 ZINC000001144711 536506491 /nfs/dbraw/zinc/50/64/91/536506491.db2.gz VUZRFPRMNHAOSH-UHFFFAOYSA-N 0 0 360.417 3.548 50 30 FHEARN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccsc1 ZINC000012348412 568288637 /nfs/dbraw/zinc/28/86/37/568288637.db2.gz CVHQIRCPOXQLJA-INIZCTEOSA-N 0 0 363.442 3.792 50 30 FHEARN C=CCOC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C ZINC000002902346 568358984 /nfs/dbraw/zinc/35/89/84/568358984.db2.gz UDJHMYKHSRPMEO-UHFFFAOYSA-N 0 0 350.370 3.876 50 30 FHEARN C=CCOc1ccccc1/C=C1/C(=O)ON=C1c1ccc([N+](=O)[O-])cc1 ZINC000033630151 568528646 /nfs/dbraw/zinc/52/86/46/568528646.db2.gz VGZFWQDESUEOLE-FOWTUZBSSA-N 0 0 350.330 3.504 50 30 FHEARN COc1cc(/C=N/c2ccc(Cl)c(Cl)c2)ccc1OCC(N)=O ZINC000000681010 570448900 /nfs/dbraw/zinc/44/89/00/570448900.db2.gz FWZMPPCFGSYJFG-DNTJNYDQSA-N 0 0 353.205 3.617 50 30 FHEARN N#Cc1c2c(sc1NC(=O)CSc1nnc(C3CC3)[nH]1)CCCCC2 ZINC000011471166 570449845 /nfs/dbraw/zinc/44/98/45/570449845.db2.gz ZYZXSDOZUYVMDM-UHFFFAOYSA-N 0 0 373.507 3.615 50 30 FHEARN CC(C)Oc1ccc(CNC(=S)N/N=C/[C@H]2CCOC(C)(C)C2)cc1 ZINC000000813291 570457960 /nfs/dbraw/zinc/45/79/60/570457960.db2.gz RGWAEESOBGSMSO-REIAIGDLSA-N 0 0 363.527 3.629 50 30 FHEARN O=C(O/N=C(/c1ccncc1)c1ccc([N+](=O)[O-])cc1)c1ccccc1F ZINC000000834674 570459474 /nfs/dbraw/zinc/45/94/74/570459474.db2.gz XWFKIHGGSYTXLL-RELWKKBWSA-N 0 0 365.320 3.738 50 30 FHEARN Cc1ccc(O)c(/N=C/c2cc(I)ccc2O)c1 ZINC000001445156 570500274 /nfs/dbraw/zinc/50/02/74/570500274.db2.gz OMQLTAAKPCSKNU-LZYBPNLTSA-N 0 0 353.159 3.761 50 30 FHEARN COc1cccc(C=Nn2c(=S)[n-]nc2-c2ccc(C)cc2)c1OC ZINC000001473701 570501048 /nfs/dbraw/zinc/50/10/48/570501048.db2.gz LWTOEHYQGJDDHA-YBFXNURJSA-N 0 0 354.435 3.816 50 30 FHEARN S=C1N=NC(c2ccncc2)N1N=Cc1ccc(Cl)cc1Cl ZINC000001475304 570501353 /nfs/dbraw/zinc/50/13/53/570501353.db2.gz YSRJTNRDAPMYKW-QGMBQPNBSA-N 0 0 350.234 3.818 50 30 FHEARN COc1ccc(C2N=NC(=S)N2N=Cc2sccc2C)cc1OC ZINC000001475965 570501387 /nfs/dbraw/zinc/50/13/87/570501387.db2.gz JBXPZRZTFIQCQA-RQZCQDPDSA-N 0 0 360.464 3.503 50 30 FHEARN S=C(N/N=C/c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)cc1 ZINC000001682576 570504505 /nfs/dbraw/zinc/50/45/05/570504505.db2.gz IMPWGGGRTFHXJR-VNIJRHKQSA-N 0 0 351.262 3.826 50 30 FHEARN C=CCNC(=S)N/N=C/c1ccc(OCc2ccccc2Cl)cc1 ZINC000002123603 570514491 /nfs/dbraw/zinc/51/44/91/570514491.db2.gz SYABEILRJCUMSV-CIAFOILYSA-N 0 0 359.882 3.903 50 30 FHEARN CC(=O)NC(=Nc1nc(C)cc(C)n1)Nc1ccc(Cl)cc1Cl ZINC000002183197 570516308 /nfs/dbraw/zinc/51/63/08/570516308.db2.gz MWFDJTXYEXDALQ-UHFFFAOYSA-N 0 0 352.225 3.636 50 30 FHEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000014136829 570517115 /nfs/dbraw/zinc/51/71/15/570517115.db2.gz HMMJQKDUOPTOAG-UHFFFAOYSA-N 0 0 374.400 3.630 50 30 FHEARN N#Cc1ccc(CCC(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1 ZINC000023510652 570540637 /nfs/dbraw/zinc/54/06/37/570540637.db2.gz FFKZKXBNQCDOJQ-UHFFFAOYSA-N 0 0 362.351 3.748 50 30 FHEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccco2)C[C@@H]1c1cccc(OC)c1OC ZINC000004919589 570559594 /nfs/dbraw/zinc/55/95/94/570559594.db2.gz ZBTFJXJOAWOGKX-DNVCBOLYSA-N 0 0 370.401 3.616 50 30 FHEARN CC[C@@H]1S/C(=N/N=C/c2ccco2)N(Cc2ccc(OC)cc2)C1=O ZINC000004937863 570562313 /nfs/dbraw/zinc/56/23/13/570562313.db2.gz NRBHCSIBRSJHSG-UEYPFEJESA-N 0 0 357.435 3.532 50 30 FHEARN C=CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CC2)[C@H]1c1cccc(C)c1 ZINC000034924182 570563767 /nfs/dbraw/zinc/56/37/67/570563767.db2.gz HANRJDBXRAAHNM-SFTDATJTSA-N 0 0 360.457 3.740 50 30 FHEARN CC[C@H]1S/C(=N/N=C/c2ccccc2)N(Cc2ccc(OC)cc2)C1=O ZINC000004956553 570567133 /nfs/dbraw/zinc/56/71/33/570567133.db2.gz XSJKQGKTYSCLDB-RXSWUABFSA-N 0 0 367.474 3.939 50 30 FHEARN NC(=O)C(=NNc1cc(Cl)ccc1Cl)c1nc2ccccc2s1 ZINC000368147598 570570470 /nfs/dbraw/zinc/57/04/70/570570470.db2.gz GJAXQLTVQJRPNM-UHFFFAOYSA-N 0 0 365.245 3.905 50 30 FHEARN C=CCN(C(=O)Cn1c(C(=O)OC)cc2ccsc21)c1ccccc1 ZINC000005085009 570582436 /nfs/dbraw/zinc/58/24/36/570582436.db2.gz YAQKKNXZSXJVNL-UHFFFAOYSA-N 0 0 354.431 3.709 50 30 FHEARN CCSc1nc2n(n1)[C@H](c1cccc(O)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436342 570591150 /nfs/dbraw/zinc/59/11/50/570591150.db2.gz RTRWJJHLGLOGCV-MRXNPFEDSA-N 0 0 370.478 3.754 50 30 FHEARN CSc1nc2n(n1)[C@@H](c1ccccc1C)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436303 570591245 /nfs/dbraw/zinc/59/12/45/570591245.db2.gz IJJJXRACWZTZNT-INIZCTEOSA-N 0 0 354.479 3.967 50 30 FHEARN C=CCSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1C(=O)CCCC1=N2 ZINC000004436250 570591250 /nfs/dbraw/zinc/59/12/50/570591250.db2.gz NVVOJGAGYGGHQS-QGZVFWFLSA-N 0 0 352.463 3.887 50 30 FHEARN CSc1nc2n(n1)[C@H](c1cccc(C)c1)C1C(=O)CC(C)(C)CC1=N2 ZINC000004436286 570591265 /nfs/dbraw/zinc/59/12/65/570591265.db2.gz KQPBWACHZYKECS-MRXNPFEDSA-N 0 0 354.479 3.967 50 30 FHEARN Cc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1C(=O)C[C@@H](c3ccco3)CC1=N2 ZINC000004488230 570592465 /nfs/dbraw/zinc/59/24/65/570592465.db2.gz NMEDTCYMUVXYCB-DJJJIMSYSA-N 0 0 364.380 3.734 50 30 FHEARN CCc1ccc(/C=C/C(=O)c2cc(Br)ccc(=O)c2O)cc1 ZINC000004667450 570600237 /nfs/dbraw/zinc/60/02/37/570600237.db2.gz POFGZJDRQAJRPB-VQHVLOKHSA-N 0 0 359.219 3.973 50 30 aggregator FHEARN COc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(O)c(Cl)c3)S2)cc1 ZINC000004739654 570604103 /nfs/dbraw/zinc/60/41/03/570604103.db2.gz ZPSDSCBCZRZXRE-OQLLNIDSSA-N 0 0 360.822 3.946 50 30 FHEARN CCOc1ccc(NC=CC(=O)c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000004905360 570612840 /nfs/dbraw/zinc/61/28/40/570612840.db2.gz QAIDMMGBAHKNND-FPLPWBNLSA-N 0 0 356.334 3.531 50 30 FHEARN O=C1C[C@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1 ZINC000004914728 570614082 /nfs/dbraw/zinc/61/40/82/570614082.db2.gz ACQSSVHQYWANGK-RHSMWYFYSA-N 0 0 353.368 3.969 50 30 FHEARN C=CCN1C(=O)[C@H](Cc2ccc(C)cc2)S/C1=N\N=C\c1ccco1 ZINC000005008815 570617913 /nfs/dbraw/zinc/61/79/13/570617913.db2.gz XKBNQNLRNWATHJ-OJYKYLQSSA-N 0 0 353.447 3.651 50 30 FHEARN COc1ccc(C=NN2C(=S)N=NC2c2ccccc2Cl)c(OC)c1 ZINC000005558539 570630766 /nfs/dbraw/zinc/63/07/66/570630766.db2.gz YBFFQJGRILJJBT-VXLYETTFSA-N 0 0 374.853 3.787 50 30 FHEARN CN(C)c1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2)cc1 ZINC000005809975 570636139 /nfs/dbraw/zinc/63/61/39/570636139.db2.gz MVOSBXFNGZBZLU-YBFXNURJSA-N 0 0 357.870 3.835 50 30 FHEARN NC(=S)N/N=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000005236899 570638527 /nfs/dbraw/zinc/63/85/27/570638527.db2.gz UJLOPLPXOKEVRL-UFWORHAWSA-N 0 0 354.262 3.740 50 30 FHEARN O=C(C=C1NCCc2cc3c(cc21)OCCCO3)c1cccc(Cl)c1 ZINC000005389215 570651361 /nfs/dbraw/zinc/65/13/61/570651361.db2.gz FQNTUNXXOHNNQC-ATVHPVEESA-N 0 0 355.821 3.871 50 30 FHEARN O=C1C[C@@H](c2ccco2)CC2=Nc3ncnn3[C@@H](c3cccc(Cl)c3)C12 ZINC000005425187 570654644 /nfs/dbraw/zinc/65/46/44/570654644.db2.gz UOFOKSALTPLFTD-SGTLLEGYSA-N 0 0 366.808 3.940 50 30 FHEARN Cc1c(NC(=O)c2ccccc2OCC#N)cnn1-c1cccc(Cl)c1 ZINC000152012981 570666674 /nfs/dbraw/zinc/66/66/74/570666674.db2.gz JFNUCDNOHDJMIM-UHFFFAOYSA-N 0 0 366.808 3.989 50 30 FHEARN O=[N+]([O-])c1ccc(N=NCc2ccccc2OC(F)F)c([N+](=O)[O-])c1 ZINC000005159158 570677406 /nfs/dbraw/zinc/67/74/06/570677406.db2.gz WOTNFYJLDFEBAI-CAOOACKPSA-N 0 0 352.253 3.550 50 30 FHEARN O=C1C[C@H](c2ccco2)CC2=Nc3ncnn3[C@H](c3ccccc3Cl)C12 ZINC000009483826 570696214 /nfs/dbraw/zinc/69/62/14/570696214.db2.gz TUGZBJLXSWEOBG-ADLMAVQZSA-N 0 0 366.808 3.940 50 30 FHEARN O=C1Nc2ccccc2/C1=C1/S/C(=N\c2ccc(Cl)cc2)NC1=O ZINC000012436953 570745281 /nfs/dbraw/zinc/74/52/81/570745281.db2.gz YBMJMNSLRMPCKO-YPKPFQOOSA-N 0 0 355.806 3.554 50 30 FHEARN C[C@@H]1/C(=N/O)C[C@@H](c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000004344351 570750501 /nfs/dbraw/zinc/75/05/01/570750501.db2.gz LFGUOKSONBHVJF-PXCXGESLSA-N 0 0 370.365 3.745 50 30 FHEARN N#Cc1ccccc1OCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 ZINC000032765256 570796613 /nfs/dbraw/zinc/79/66/13/570796613.db2.gz WIBNLXWEQWEYNG-UHFFFAOYSA-N 0 0 358.401 3.639 50 30 FHEARN CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)Cc1cccc(Cl)c1Cl ZINC000032832142 570818887 /nfs/dbraw/zinc/81/88/87/570818887.db2.gz UWTAFYJQTNKADF-YVEFUNNKSA-N 0 0 356.297 3.868 50 30 FHEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N/c1ccccc1 ZINC000101651505 570821887 /nfs/dbraw/zinc/82/18/87/570821887.db2.gz YTYHHFVQLNMAHJ-QQMHEVNUSA-N 0 0 353.447 3.667 50 30 FHEARN C[C@H](Oc1cccc(Cl)c1)C(=O)OCc1cn2ccccc2c1C#N ZINC000032898789 570836742 /nfs/dbraw/zinc/83/67/42/570836742.db2.gz MPCRGGPHQZCEJD-ZDUSSCGKSA-N 0 0 354.793 3.975 50 30 FHEARN Cc1ccc(S(=O)(=O)/N=C2\C=C(Cl)C(=O)c3ccccc32)c(C)c1 ZINC000103747985 570852363 /nfs/dbraw/zinc/85/23/63/570852363.db2.gz QDWXZBSMGDSURB-CAPFRKAQSA-N 0 0 359.834 3.800 50 30 FHEARN CCCOc1ccc(-c2nc(C#N)c(NCCCn3ccnc3)o2)cc1 ZINC000005738492 570867986 /nfs/dbraw/zinc/86/79/86/570867986.db2.gz BCELJLQUDGWTPD-UHFFFAOYSA-N 0 0 351.410 3.701 50 30 FHEARN N#Cc1ccccc1N1CCCN(C(=O)Nc2cccc3cccnc32)CC1 ZINC000045976588 570917550 /nfs/dbraw/zinc/91/75/50/570917550.db2.gz NKICJKTZPVATBR-UHFFFAOYSA-N 0 0 371.444 3.851 50 30 FHEARN COc1cccc(C(=O)N=C(NCc2ccccn2)Nc2ccccc2C)c1 ZINC000046125337 570926747 /nfs/dbraw/zinc/92/67/47/570926747.db2.gz NOUAKUAWAVSTFI-UHFFFAOYSA-N 0 0 374.444 3.797 50 30 FHEARN CCc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccccc2C)cc1 ZINC000046129325 570927571 /nfs/dbraw/zinc/92/75/71/570927571.db2.gz CIQGAZKUVNMYAX-IBGZPJMESA-N 0 0 365.477 3.934 50 30 FHEARN Cc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2cc(C)cc(C)c2)cc1 ZINC000046131533 570928488 /nfs/dbraw/zinc/92/84/88/570928488.db2.gz UBDPYGCNKBAFOW-FQEVSTJZSA-N 0 0 365.477 3.989 50 30 FHEARN CCc1ccccc1NC(=NC(=O)c1ccc(C)cc1)NC[C@H]1CCCO1 ZINC000046131160 570928542 /nfs/dbraw/zinc/92/85/42/570928542.db2.gz LIHPKZAIRZIVDX-LJQANCHMSA-N 0 0 365.477 3.934 50 30 FHEARN CCc1cccc(NC(=NC(=O)c2cccc(F)c2)NC[C@@H]2CCCO2)c1 ZINC000046130778 570928548 /nfs/dbraw/zinc/92/85/48/570928548.db2.gz RBVUZCFSKPJEAD-IBGZPJMESA-N 0 0 369.440 3.765 50 30 FHEARN Cc1ccc(C(=O)N=C(NC[C@@H]2CCCO2)Nc2ccc(F)cc2)cc1C ZINC000046132032 570929015 /nfs/dbraw/zinc/92/90/15/570929015.db2.gz ALJGWVREVSVZAF-IBGZPJMESA-N 0 0 369.440 3.819 50 30 FHEARN CCOC(=O)Nc1cccc(C(=O)OCc2cn3ccccc3c2C#N)c1 ZINC000048301458 570944499 /nfs/dbraw/zinc/94/44/99/570944499.db2.gz ZYMSRYKBRZGYQQ-UHFFFAOYSA-N 0 0 363.373 3.736 50 30 FHEARN C=CCOc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)cc1 ZINC000005079606 570966421 /nfs/dbraw/zinc/96/64/21/570966421.db2.gz VKAUMUPYPFJKLR-VMEIHUARSA-N 0 0 365.429 3.859 50 30 FHEARN C[C@H]1Cc2ccccc2N1Cc1cc(=O)n2c3ccccc3[nH]c2c1C#N ZINC000024678489 570979764 /nfs/dbraw/zinc/97/97/64/570979764.db2.gz LEENUWDLILAWHQ-WMLDXEAASA-N 0 0 354.413 3.675 50 30 FHEARN N#CC1(NS(=O)(=O)c2c(Cl)cc(F)cc2Cl)CCCCC1 ZINC000225495382 571039964 /nfs/dbraw/zinc/03/99/64/571039964.db2.gz UAJPWRLMCULMBV-UHFFFAOYSA-N 0 0 351.230 3.637 50 30 FHEARN CC[C@H](C)Nc1oc(/C=C/c2cc(OC)c(OC)c(OC)c2)nc1C#N ZINC000008326809 571040658 /nfs/dbraw/zinc/04/06/58/571040658.db2.gz ANTCOGUYTRQVMC-GUOLPTJISA-N 0 0 357.410 3.953 50 30 FHEARN CCc1nnc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)s1 ZINC000004125312 571049690 /nfs/dbraw/zinc/04/96/90/571049690.db2.gz FXLFYEBFKZMFFW-UHFFFAOYSA-N 0 0 369.475 3.560 50 30 FHEARN Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)N[C@@H](C)CCC(C)C ZINC000008687973 571055178 /nfs/dbraw/zinc/05/51/78/571055178.db2.gz XJIXBCUCRBQBJT-AWEZNQCLSA-N 0 0 371.572 3.768 50 30 FHEARN O=C1c2ccccc2C2=C1[C@@H](c1ccccc1F)N1C(=O)CCSC1=N2 ZINC000001407037 571063098 /nfs/dbraw/zinc/06/30/98/571063098.db2.gz YOEBVNNUFUVFLA-GOSISDBHSA-N 0 0 364.401 3.810 50 30 FHEARN Cc1ccc(C(=O)N=C(NC[C@H]2CCCO2)Nc2ccc(F)cc2)cc1C ZINC000046132036 571064949 /nfs/dbraw/zinc/06/49/49/571064949.db2.gz ALJGWVREVSVZAF-LJQANCHMSA-N 0 0 369.440 3.819 50 30 FHEARN CN(C)C(=O)O[C@H]1C=CC(=O)[C@](C)(c2ccc(-c3ccccc3)cc2)O1 ZINC000033815022 571066581 /nfs/dbraw/zinc/06/65/81/571066581.db2.gz TYYVMWTWMVOKBB-CTNGQTDRSA-N 0 0 351.402 3.749 50 30 FHEARN Cc1c(C(=O)NC2(C#N)CCCC2)cnn1-c1cccc(C(F)(F)F)c1 ZINC000084044964 571067011 /nfs/dbraw/zinc/06/70/11/571067011.db2.gz KJVXROOPFPCKIZ-UHFFFAOYSA-N 0 0 362.355 3.766 50 30 FHEARN Cc1ccc2c(c1)S[C@@H](C(=O)NCCSCc1ccccc1C#N)C2 ZINC000040033576 571069071 /nfs/dbraw/zinc/06/90/71/571069071.db2.gz RXPLRMAMVFJZDF-LJQANCHMSA-N 0 0 368.527 3.933 50 30 FHEARN CCc1ccc(/N=C2\NC(=O)/C(=C\c3ccc([O-])c([N+](=O)[O-])c3)S2)cc1 ZINC000037342261 571082382 /nfs/dbraw/zinc/08/23/82/571082382.db2.gz NVTPYTQEKKSLCL-MHWRWJLKSA-N 0 0 369.402 3.754 50 30 FHEARN N#Cc1cc2c(n(-c3ccc(F)cc3)c1=O)C[C@H](c1ccccc1)CC2=O ZINC000032985435 571083138 /nfs/dbraw/zinc/08/31/38/571083138.db2.gz YSVAPCAZHQFLEM-HNNXBMFYSA-N 0 0 358.372 3.761 50 30 FHEARN Cc1cccc(-n2c3c(cc(C#N)c2=O)C(=O)C[C@H](c2ccccc2)C3)c1 ZINC000032985430 571083184 /nfs/dbraw/zinc/08/31/84/571083184.db2.gz UROXBGRFZKKZLN-QGZVFWFLSA-N 0 0 354.409 3.930 50 30 FHEARN N#Cc1ccc(N2CCC(C(=O)N3CCCCc4ccccc43)CC2)nc1 ZINC000040133905 571083211 /nfs/dbraw/zinc/08/32/11/571083211.db2.gz UGGLWBZAXHDTPL-UHFFFAOYSA-N 0 0 360.461 3.539 50 30 FHEARN COc1cc(C#N)ccc1OC(=O)COc1ccc(C(F)(F)F)cc1 ZINC000040140839 571084156 /nfs/dbraw/zinc/08/41/56/571084156.db2.gz XNIRLSPXLXPPHQ-UHFFFAOYSA-N 0 0 351.280 3.570 50 30 FHEARN N#Cc1ccc(N2CC[C@@H](Sc3ccc(C(F)(F)F)cn3)C2=O)cc1 ZINC000084383917 571084644 /nfs/dbraw/zinc/08/46/44/571084644.db2.gz PNXZNCJNLQKUAZ-CQSZACIVSA-N 0 0 363.364 3.870 50 30 FHEARN N#Cc1cnn2c1N=C1CCCC(=O)C1[C@@H]2c1cccc(Br)c1 ZINC000040288008 571093421 /nfs/dbraw/zinc/09/34/21/571093421.db2.gz YOEULHIWZZXHGB-INIZCTEOSA-N 0 0 369.222 3.539 50 30 FHEARN CCOc1ccc(S(=O)(=O)NN=C(C)c2cc3ccccc3o2)cc1 ZINC000245284214 571096258 /nfs/dbraw/zinc/09/62/58/571096258.db2.gz QSXVIMPYAGZVII-UHFFFAOYSA-N 0 0 358.419 3.534 50 30 FHEARN CC(C)C[C@H](NC(=O)COc1ccccc1C#N)c1nc2ccccc2[nH]1 ZINC000009155786 571099573 /nfs/dbraw/zinc/09/95/73/571099573.db2.gz GVKGQGYHNOKNEE-SFHVURJKSA-N 0 0 362.433 3.717 50 30 FHEARN Cc1ccc(OCCn2cc(/C=N/NC(N)=S)c3ccccc32)c(C)c1 ZINC000004600442 571101916 /nfs/dbraw/zinc/10/19/16/571101916.db2.gz MCWBGWQJMHWHIJ-WSDLNYQXSA-N 0 0 366.490 3.504 50 30 FHEARN C=CCc1cccc2cc(C(=O)Nc3ccc(C)cc3[N+](=O)[O-])c(=O)oc21 ZINC000004859690 571102509 /nfs/dbraw/zinc/10/25/09/571102509.db2.gz SUPQWYCRFNECAV-UHFFFAOYSA-N 0 0 364.357 3.990 50 30 FHEARN C=CCn1c([C@@H](C)NC(=O)c2ccc(Cl)cc2Cl)n[nH]c1=S ZINC000005487492 571103059 /nfs/dbraw/zinc/10/30/59/571103059.db2.gz VSWGXVBHKDNHEM-MRVPVSSYSA-N 0 0 357.266 3.924 50 30 FHEARN CC(C)NC(=O)N1CCCCC[C@@H]1C1CCN(c2ccc(C#N)cn2)CC1 ZINC000069814068 571103498 /nfs/dbraw/zinc/10/34/98/571103498.db2.gz ODXQMZIJNFIMFC-LJQANCHMSA-N 0 0 369.513 3.532 50 30 FHEARN CCOCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccccc1)C3=O ZINC000012442693 571105950 /nfs/dbraw/zinc/10/59/50/571105950.db2.gz TWICHHWCMHTBNR-MOSHPQCFSA-N 0 0 365.429 3.881 50 30 FHEARN N#CCn1c(CSc2nc(-c3ccccc3)c[nH]2)nc2ccccc2c1=O ZINC000045537171 571106530 /nfs/dbraw/zinc/10/65/30/571106530.db2.gz FGQLRQJYIHYIGD-UHFFFAOYSA-N 0 0 373.441 3.602 50 30 FHEARN Cn1ccnc1[C@@H](Nc1ccc(C#N)cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC000009467784 571110243 /nfs/dbraw/zinc/11/02/43/571110243.db2.gz LNCHTARQOIOCNE-KRWDZBQOSA-N 0 0 351.341 3.541 50 30 FHEARN N#Cc1c(=O)n2c(nc1-c1ccco1)SCN(c1ccc(Cl)cc1)C2 ZINC000013690668 571111019 /nfs/dbraw/zinc/11/10/19/571111019.db2.gz RFUZJBRFISGVQK-UHFFFAOYSA-N 0 0 370.821 3.556 50 30 FHEARN C#CCn1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000009015871 571113182 /nfs/dbraw/zinc/11/31/82/571113182.db2.gz SGFXMQLXSZICDE-XDHOZWIPSA-N 0 0 373.387 3.507 50 30 FHEARN Cc1ccccc1-n1c(SCC#N)nc2sc3c(c2c1=O)CCC3 ZINC000006051693 571114766 /nfs/dbraw/zinc/11/47/66/571114766.db2.gz CJXGVRNCSLHULQ-UHFFFAOYSA-N 0 0 353.472 3.860 50 30 FHEARN C=CCN(CC=C)C(=O)c1ccccc1C(=O)OCC(F)(F)C(F)F ZINC000012343632 571118019 /nfs/dbraw/zinc/11/80/19/571118019.db2.gz PFLXMZSRBRKLKF-UHFFFAOYSA-N 0 0 359.319 3.558 50 30 FHEARN C=C(C)CN(CC)C(=O)c1sc2ncnc(NC[C@@H]3CCCO3)c2c1C ZINC000012456357 571118253 /nfs/dbraw/zinc/11/82/53/571118253.db2.gz IKUMCDQPVOSFQZ-AWEZNQCLSA-N 0 0 374.510 3.629 50 30 FHEARN C=CCOc1cccc(C(=O)N2CCC[C@H](CCC(=O)N3CCCC3)C2)c1 ZINC000012701844 571118383 /nfs/dbraw/zinc/11/83/83/571118383.db2.gz FPAJCNRYYYUGGX-GOSISDBHSA-N 0 0 370.493 3.506 50 30 FHEARN C=CCn1c(SCc2ccc(C(N)=O)cc2)nnc1C1CCCCC1 ZINC000014199729 571120878 /nfs/dbraw/zinc/12/08/78/571120878.db2.gz PAESYVIXBKJWJN-UHFFFAOYSA-N 0 0 356.495 3.903 50 30 FHEARN N#Cc1c(NC(=S)NC(=O)C=Cc2ccccc2)sc2c1CCC2 ZINC000006103114 571121220 /nfs/dbraw/zinc/12/12/20/571121220.db2.gz ZGQIXYJGMXLCBH-KTKRTIGZSA-N 0 0 353.472 3.635 50 30 FHEARN C=CCN1c2ccccc2/C(=C2/SC(=S)N(CCCC)C2=O)C1=O ZINC000002276890 571124704 /nfs/dbraw/zinc/12/47/04/571124704.db2.gz QGYDPHMFVIYKBT-PFONDFGASA-N 0 0 358.488 3.591 50 30 FHEARN N#Cc1ccc(C(=O)Nc2nc(CN3CCCCC3)nc3ccccc32)cc1 ZINC000011183126 571133613 /nfs/dbraw/zinc/13/36/13/571133613.db2.gz UQMNGPWTDDICBP-UHFFFAOYSA-N 0 0 371.444 3.740 50 30 FHEARN O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2)n[nH]1 ZINC000022976027 571145856 /nfs/dbraw/zinc/14/58/56/571145856.db2.gz QFSXRDIPLPDRLA-UHFFFAOYSA-N 0 0 369.346 3.877 50 30 FHEARN COc1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)c(OC)c1 ZINC000022975980 571145897 /nfs/dbraw/zinc/14/58/97/571145897.db2.gz YYSPMSNEUVFTJH-UHFFFAOYSA-N 0 0 363.335 3.504 50 30 FHEARN C=CCNC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)no1 ZINC000033161404 571160415 /nfs/dbraw/zinc/16/04/15/571160415.db2.gz BLIMIGIWSGPMAT-UHFFFAOYSA-N 0 0 361.401 3.818 50 30 FHEARN CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3[C@H](OC(C)=O)C[C@@]12C ZINC000257348371 571163538 /nfs/dbraw/zinc/16/35/38/571163538.db2.gz FAGOJCSZVVRBFD-CKNAKSQOSA-N 0 0 374.477 3.602 50 30 FHEARN COc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(SC)nn21 ZINC000004716080 571167607 /nfs/dbraw/zinc/16/76/07/571167607.db2.gz PEONCTQRTDMUTN-MRXNPFEDSA-N 0 0 370.478 3.667 50 30 FHEARN C[C@H]1CCc2c(C#N)c(NC(=O)Cc3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000006253629 571168338 /nfs/dbraw/zinc/16/83/38/571168338.db2.gz CQSSBWQFINAYNL-NSHDSACASA-N 0 0 355.419 3.834 50 30 FHEARN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3n[nH]cc3[N+](=O)[O-])sc2C1 ZINC000006262626 571168758 /nfs/dbraw/zinc/16/87/58/571168758.db2.gz XGGUYIMRVZLSPF-SECBINFHSA-N 0 0 373.438 3.654 50 30 FHEARN N#CC1(NC(=O)Cn2c3ccccc3nc2C(F)(F)F)CCCCCC1 ZINC000012535537 571175755 /nfs/dbraw/zinc/17/57/55/571175755.db2.gz SDFVNSVEBUJWQC-UHFFFAOYSA-N 0 0 364.371 3.788 50 30 FHEARN CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccccc1C#N ZINC000003228073 571176803 /nfs/dbraw/zinc/17/68/03/571176803.db2.gz BKKFLOQWHMWZQL-UHFFFAOYSA-N 0 0 372.808 3.551 50 30 FHEARN CC/N=C1/S/C(=C/c2cccn2-c2ccc(OC)cc2)C(=O)N1CC ZINC000006317768 571177563 /nfs/dbraw/zinc/17/75/63/571177563.db2.gz CTTXVUORKGUYPK-SXXHPKIYSA-N 0 0 355.463 3.798 50 30 FHEARN Cc1c2c(nc(SCC(=O)N(C)C3(C#N)CCCCC3)c1C#N)CCC2 ZINC000012549161 571178872 /nfs/dbraw/zinc/17/88/72/571178872.db2.gz GJGYCPPQVSAPAA-UHFFFAOYSA-N 0 0 368.506 3.527 50 30 FHEARN N#Cc1ccc(F)c(CSc2nnc(-c3ccncc3)n2C2CC2)c1 ZINC000122878080 571182764 /nfs/dbraw/zinc/18/27/64/571182764.db2.gz QDKAWFMSMIPPQH-UHFFFAOYSA-N 0 0 351.410 3.978 50 30 FHEARN C=CCc1ccc(OC[C@@H](O)Cn2c(C)nc3ccccc32)c(OC)c1 ZINC000012603578 571190484 /nfs/dbraw/zinc/19/04/84/571190484.db2.gz DTPKBGCAUZKDNS-KRWDZBQOSA-N 0 0 352.434 3.522 50 30 FHEARN COc1ccc2ccccc2c1CCNC(=O)N1CCC(C)(C#N)CC1 ZINC000534631810 571206603 /nfs/dbraw/zinc/20/66/03/571206603.db2.gz WLFNYWOZLGAEBJ-UHFFFAOYSA-N 0 0 351.450 3.726 50 30 FHEARN CCc1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)OC)ccc3C2=O)cc1 ZINC000006555751 571209240 /nfs/dbraw/zinc/20/92/40/571209240.db2.gz ORARZNXRUJAGFV-JFENUBAZSA-N 0 0 352.386 3.806 50 30 FHEARN N#Cc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC000004072469 571210702 /nfs/dbraw/zinc/21/07/02/571210702.db2.gz DNRGVUCKMDXEQS-UHFFFAOYSA-N 0 0 352.349 3.586 50 30 FHEARN CNC(=S)NN=Cc1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C ZINC000013108535 571211556 /nfs/dbraw/zinc/21/15/56/571211556.db2.gz HAUKRVZDWYTRIG-UHFFFAOYSA-N 0 0 355.294 3.829 50 30 FHEARN C=CCOc1ccc(/C=C\C(=O)N[C@H](c2nccn2C)c2ccccc2)cc1 ZINC000098001836 571217574 /nfs/dbraw/zinc/21/75/74/571217574.db2.gz XKFJWUKPIRAUHO-FAXUNHAKSA-N 0 0 373.456 3.904 50 30 FHEARN CC(C)c1cc(CNC(=O)N2CCC(C#N)(c3ccccc3)CC2)on1 ZINC000426727544 571236659 /nfs/dbraw/zinc/23/66/59/571236659.db2.gz UTHYCNCNAXLTCN-UHFFFAOYSA-N 0 0 352.438 3.565 50 30 FHEARN COc1cc(CCC(=O)Nc2ccc(C#N)c(Cl)c2)cc(OC)c1OC ZINC000006653104 571239173 /nfs/dbraw/zinc/23/91/73/571239173.db2.gz KMOATADMPOWOPW-UHFFFAOYSA-N 0 0 374.824 3.809 50 30 FHEARN CCC[C@@H]1S/C(=N\N=C\c2ccco2)N(Cc2ccc(OC)cc2)C1=O ZINC000036093492 571241110 /nfs/dbraw/zinc/24/11/10/571241110.db2.gz ZDKUQLRWZWWVFK-BUDGLOEYSA-N 0 0 371.462 3.922 50 30 FHEARN COc1ccc(-c2[nH]c3c(C#N)cnn3c2NC2CCCC2)c(OC)c1 ZINC000006768565 571245599 /nfs/dbraw/zinc/24/55/99/571245599.db2.gz LEPSISRZHPYMPF-UHFFFAOYSA-N 0 0 351.410 3.573 50 30 FHEARN N#Cc1c(NC(=O)COC(=O)c2cccc(F)c2)sc2c1CCCCC2 ZINC000006828854 571248579 /nfs/dbraw/zinc/24/85/79/571248579.db2.gz AEPKYJYWCWCOQZ-UHFFFAOYSA-N 0 0 372.421 3.823 50 30 FHEARN N#C[C@@H](Cc1ccccc1)Sc1nnc([C@H]2COc3ccccc3O2)o1 ZINC000006845556 571250406 /nfs/dbraw/zinc/25/04/06/571250406.db2.gz UBDDFUAHOHBTAY-RHSMWYFYSA-N 0 0 365.414 3.809 50 30 FHEARN C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCC[C@H](C(F)(F)F)C1 ZINC000036390420 571252454 /nfs/dbraw/zinc/25/24/54/571252454.db2.gz WHDCPPVKWQVRHF-JQWIXIFHSA-N 0 0 359.779 3.813 50 30 FHEARN O=C(c1cccs1)C1C(C(F)(F)F)=Nc2ncnn2[C@H]1c1ccoc1 ZINC000036611871 571257958 /nfs/dbraw/zinc/25/79/58/571257958.db2.gz VYIDZAGYXVZHGO-NSHDSACASA-N 0 0 366.324 3.647 50 30 FHEARN COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cc(C#N)n(C)c2C)cc1 ZINC000007087941 571260490 /nfs/dbraw/zinc/26/04/90/571260490.db2.gz BHOLNIVCKUQCAY-OAQYLSRUSA-N 0 0 372.428 3.985 50 30 FHEARN N#CCCN(Cc1ccco1)C(=O)CSc1ccc2ccccc2n1 ZINC000007199709 571263036 /nfs/dbraw/zinc/26/30/36/571263036.db2.gz MXCLPPJOEAHHOL-UHFFFAOYSA-N 0 0 351.431 3.862 50 30 FHEARN C[C@H](C#N)CSc1ccccc1NC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000065453393 571263467 /nfs/dbraw/zinc/26/34/67/571263467.db2.gz IZIVCBUJMBAPTO-CYBMUJFWSA-N 0 0 374.487 3.594 50 30 FHEARN COc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C2CC2)cc1 ZINC000036866413 571263643 /nfs/dbraw/zinc/26/36/43/571263643.db2.gz FWGUIYIJIHCDTA-OAHLLOKOSA-N 0 0 350.418 3.525 50 30 FHEARN CCOc1cc(C#N)ccc1OCC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000007462671 571265953 /nfs/dbraw/zinc/26/59/53/571265953.db2.gz YIYVXHAHAQMPRE-AWEZNQCLSA-N 0 0 364.401 3.959 50 30 FHEARN C=CC[C@@H](NC(=O)Cc1csc2ccc(Cl)cc12)C(=O)OCC ZINC000170594730 571266383 /nfs/dbraw/zinc/26/63/83/571266383.db2.gz FSQISKOYJMEOFU-CQSZACIVSA-N 0 0 351.855 3.721 50 30 FHEARN Cc1cc(C)c(C#N)c(N2CCC(c3nc(-c4ccccc4)n[nH]3)CC2)n1 ZINC000170626464 571269440 /nfs/dbraw/zinc/26/94/40/571269440.db2.gz JXVQZFFZAZAEAA-UHFFFAOYSA-N 0 0 358.449 3.739 50 30 FHEARN N#Cc1cc(NC(=O)COc2ccc3c(c2)CCC3)c(Cl)c([N+](=O)[O-])c1 ZINC000089807656 571273441 /nfs/dbraw/zinc/27/34/41/571273441.db2.gz KZVGHGKHIQBVLK-UHFFFAOYSA-N 0 0 371.780 3.626 50 30 FHEARN N#Cc1nc(-c2cccc3ccccc32)oc1SCCN1CCOCC1 ZINC000252493967 571281066 /nfs/dbraw/zinc/28/10/66/571281066.db2.gz NHSGSBBPRAATTF-UHFFFAOYSA-N 0 0 365.458 3.791 50 30 FHEARN O=C1CCCC(=O)C1C(c1cccc([N+](=O)[O-])c1)C1C(=O)CCCC1=O ZINC000252497184 571281068 /nfs/dbraw/zinc/28/10/68/571281068.db2.gz QAXCEJHNDXSUTP-UHFFFAOYSA-N 0 0 357.362 3.809 50 30 FHEARN CC(C)Oc1ccc(NC(=O)c2ccn(-c3ccccc3F)n2)cc1C#N ZINC000153578825 571283560 /nfs/dbraw/zinc/28/35/60/571283560.db2.gz UNSALTGHBRWYMK-UHFFFAOYSA-N 0 0 364.380 3.923 50 30 FHEARN CCc1ccc(NC(=O)c2cc3ccccc3o/c2=N\OC(C)=O)cc1 ZINC000007615729 571284156 /nfs/dbraw/zinc/28/41/56/571284156.db2.gz SWBLEOICAHIZFH-XDOYNYLZSA-N 0 0 350.374 3.626 50 30 FHEARN C=CCn1cnnc1S[C@H](C)C(=O)Nc1cc(C)c(Cl)cc1OC ZINC000007634170 571284948 /nfs/dbraw/zinc/28/49/48/571284948.db2.gz AVUDCAHUELFKPP-LLVKDONJSA-N 0 0 366.874 3.554 50 30 FHEARN C[C@H](C(=O)Nc1ccccc1C#N)N(C)Cc1nc2ccccc2s1 ZINC000007689696 571285834 /nfs/dbraw/zinc/28/58/34/571285834.db2.gz JDCHUUPMBRTOBH-CYBMUJFWSA-N 0 0 350.447 3.627 50 30 FHEARN CCCCCn1nc(C(=O)Nc2cccc(C#N)c2)c2ccccc2c1=O ZINC000007717290 571286334 /nfs/dbraw/zinc/28/63/34/571286334.db2.gz GPPYSBSPJPCZEX-UHFFFAOYSA-N 0 0 360.417 3.711 50 30 FHEARN CCOC(=O)c1c2c(sc1NC=C1C(=O)CC(C)(C)CC1=O)CCC2 ZINC000002256882 571294114 /nfs/dbraw/zinc/29/41/14/571294114.db2.gz SFGJPDSKYOUBMY-UHFFFAOYSA-N 0 0 361.463 3.668 50 30 FHEARN C[Si](C)(C)CCOCn1cc(Br)c2cc(C#N)cnc21 ZINC000250842901 571319322 /nfs/dbraw/zinc/31/93/22/571319322.db2.gz DVBYYIKHTKWJQJ-UHFFFAOYSA-N 0 0 352.308 3.983 50 30 FHEARN COc1ccc(OC)c([C@@H]2CCCN2c2ccc([N+](=O)[O-])cc2C#N)c1 ZINC000007365980 571319977 /nfs/dbraw/zinc/31/99/77/571319977.db2.gz GCJMVSAVGUTUGH-SFHVURJKSA-N 0 0 353.378 3.825 50 30 FHEARN N#Cc1ccc(NC(=O)CSc2ncnc3c4ccccc4oc32)cc1 ZINC000002398680 571321325 /nfs/dbraw/zinc/32/13/25/571321325.db2.gz KQWCMVDZYLXVJI-UHFFFAOYSA-N 0 0 360.398 3.978 50 30 FHEARN Cc1nn(CCCNC(=O)c2ccc(-c3ccc(C#N)nc3)cc2)c(C)c1C ZINC000426410757 571322039 /nfs/dbraw/zinc/32/20/39/571322039.db2.gz VGWOBIPCOCUDBJ-UHFFFAOYSA-N 0 0 373.460 3.562 50 30 FHEARN C[C@@H](CCCC(C)(C)O)NC(=O)c1cccc(-c2cc(C#N)ccn2)c1 ZINC000426490614 571322085 /nfs/dbraw/zinc/32/20/85/571322085.db2.gz NOSITOYDRWYLEL-HNNXBMFYSA-N 0 0 351.450 3.680 50 30 FHEARN CC(C)(C)OC(=O)N[C@]1(C)CCCC[C@H]1C(=O)NCC#Cc1ccccc1 ZINC000095451636 571329849 /nfs/dbraw/zinc/32/98/49/571329849.db2.gz OQYNGXWQNYRALP-PGRDOPGGSA-N 0 0 370.493 3.628 50 30 FHEARN C=CCn1c(SCC(OCC)OCC)nc2sc(C)c(C)c2c1=O ZINC000095941644 571332461 /nfs/dbraw/zinc/33/24/61/571332461.db2.gz VTUWFOFXEXJISG-UHFFFAOYSA-N 0 0 368.524 3.752 50 30 FHEARN CCC[C@H](C)N1Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3)c2C1 ZINC000096013479 571333973 /nfs/dbraw/zinc/33/39/73/571333973.db2.gz SDMOYKDWUFEIGG-HNNXBMFYSA-N 0 0 369.490 3.863 50 30 FHEARN COc1cc(C2=N/C(=C/c3cccc(C#N)c3)C(=O)O2)ccc1OC(F)F ZINC000096018744 571334012 /nfs/dbraw/zinc/33/40/12/571334012.db2.gz JBLOHDHKTNQGSK-RIYZIHGNSA-N 0 0 370.311 3.513 50 30 FHEARN COc1cc(C(N)=NOCc2c(F)cccc2Cl)ccc1OC(F)F ZINC000096297690 571335133 /nfs/dbraw/zinc/33/51/33/571335133.db2.gz IDKOHTKGQAIBQA-UHFFFAOYSA-N 0 0 374.746 3.926 50 30 FHEARN O=C(/C=C\c1cnn(Cc2ccccc2)c1)c1cccc(N2CCOC2=O)c1 ZINC000096401884 571335836 /nfs/dbraw/zinc/33/58/36/571335836.db2.gz HVXQSTMJNISFDK-KTKRTIGZSA-N 0 0 373.412 3.784 50 30 FHEARN CC1(C)Cc2c(C#N)c(NC(=O)c3ccc([N+](=O)[O-])cc3)sc2CO1 ZINC000002495716 571337450 /nfs/dbraw/zinc/33/74/50/571337450.db2.gz HMAGLBATTCXCAA-UHFFFAOYSA-N 0 0 357.391 3.632 50 30 FHEARN N#Cc1ccc(CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 ZINC000002621801 571339325 /nfs/dbraw/zinc/33/93/25/571339325.db2.gz KICXEOQUSIVBOE-UHFFFAOYSA-N 0 0 367.408 3.554 50 30 FHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)CN3CCc4ccccc43)sc2C1 ZINC000002726597 571340638 /nfs/dbraw/zinc/34/06/38/571340638.db2.gz DOBFHQAFBXHYLK-CYBMUJFWSA-N 0 0 351.475 3.746 50 30 FHEARN CC[C@@H](Oc1ccccc1)C(=O)Nc1sc(C(=O)OC)c(C)c1C#N ZINC000002748112 571340752 /nfs/dbraw/zinc/34/07/52/571340752.db2.gz AAOMQWIZPPDYQI-CQSZACIVSA-N 0 0 358.419 3.511 50 30 FHEARN N#Cc1c(NC(=O)COc2c(F)c(F)cc(F)c2F)sc2c1CCC2 ZINC000002782870 571340943 /nfs/dbraw/zinc/34/09/43/571340943.db2.gz CPDZQTMDDIVQSN-UHFFFAOYSA-N 0 0 370.327 3.682 50 30 FHEARN C[C@H]1CCc2c(C#N)c(NC(=O)CNc3cccc([N+](=O)[O-])c3)sc2C1 ZINC000030284736 571345397 /nfs/dbraw/zinc/34/53/97/571345397.db2.gz FCJDKIQCCAQGRB-NSHDSACASA-N 0 0 370.434 3.703 50 30 FHEARN N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc2ccccc2n1 ZINC000003224840 571345698 /nfs/dbraw/zinc/34/56/98/571345698.db2.gz XSTLIRCMTBCXME-UHFFFAOYSA-N 0 0 365.776 3.555 50 30 FHEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1CCc1c[nH]c2ccccc12 ZINC000003260607 571346342 /nfs/dbraw/zinc/34/63/42/571346342.db2.gz CTYCGPVTKTXONQ-UHFFFAOYSA-N 0 0 374.469 3.532 50 30 FHEARN C=CCSc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000003369164 571348482 /nfs/dbraw/zinc/34/84/82/571348482.db2.gz VACWPJSXKPPLPL-UHFFFAOYSA-N 0 0 356.816 3.630 50 30 FHEARN N#CCC(=O)Nc1ccc(C(=O)Nc2cccc(Br)c2)cc1 ZINC000003456452 571350056 /nfs/dbraw/zinc/35/00/56/571350056.db2.gz XQIPNCOKQTUPHP-UHFFFAOYSA-N 0 0 358.195 3.554 50 30 FHEARN CCOc1ccc(-n2c(S[C@H](C)C#N)nc3ccccc3c2=O)cc1 ZINC000003494008 571350347 /nfs/dbraw/zinc/35/03/47/571350347.db2.gz HRCIXYFWYFTTDS-CYBMUJFWSA-N 0 0 351.431 3.789 50 30 FHEARN C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccccc1 ZINC000003563083 571351078 /nfs/dbraw/zinc/35/10/78/571351078.db2.gz SXRAEHYAICIIJA-DOTOQJQBSA-N 0 0 370.522 3.918 50 30 FHEARN CC(NC[C@@H](C)NC(C)=C1C(=O)C[C@@H]2[C@H]1C2(C)C)=C1C(=O)C[C@@H]2[C@H]1C2(C)C ZINC000003984763 571353666 /nfs/dbraw/zinc/35/36/66/571353666.db2.gz JZBTZADGBMEUIM-UJKBBHMPSA-N 0 0 370.537 3.592 50 30 biogenic FHEARN CO/N=C/[C@@H](C#N)c1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F ZINC000004050653 571354529 /nfs/dbraw/zinc/35/45/29/571354529.db2.gz MWZIZKAVTWFVKL-CPJBHBTRSA-N 0 0 362.233 3.907 50 30 FHEARN C=CCNC(=S)N/N=C/c1cn(Cc2ccccc2F)c2ccccc12 ZINC000004083326 571354901 /nfs/dbraw/zinc/35/49/01/571354901.db2.gz AEKHVTIAXUIHEJ-FSJBWODESA-N 0 0 366.465 3.813 50 30 FHEARN N#Cc1c(NC(=O)[C@@H]2COc3ccccc3O2)sc2c1CCCCC2 ZINC000004088508 571355077 /nfs/dbraw/zinc/35/50/77/571355077.db2.gz JIUVSOYBEFOPCC-INIZCTEOSA-N 0 0 354.431 3.667 50 30 FHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H]3COc4ccccc4O3)sc2C1 ZINC000004088486 571355086 /nfs/dbraw/zinc/35/50/86/571355086.db2.gz PMVPMAWTSPHZIM-BZNIZROVSA-N 0 0 354.431 3.523 50 30 FHEARN COc1ccc(Nc2oc(COc3ccc4c(c3)OCO4)nc2C#N)cc1 ZINC000032069813 571355388 /nfs/dbraw/zinc/35/53/88/571355388.db2.gz RACOBACLAKEDMO-UHFFFAOYSA-N 0 0 365.345 3.606 50 30 FHEARN COc1cc(C(=O)C=CNc2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000004140918 571356186 /nfs/dbraw/zinc/35/61/86/571356186.db2.gz DGOUDDQBNXEFPP-ZHACJKMWSA-N 0 0 356.422 3.587 50 30 FHEARN C[C@@H]1C[C@H](C)CN(c2ccc(C(=O)N(C)C3(C#N)CCC3)cc2[N+](=O)[O-])C1 ZINC000066336782 571358296 /nfs/dbraw/zinc/35/82/96/571358296.db2.gz DDMITVAQPIYTRU-GASCZTMLSA-N 0 0 370.453 3.595 50 30 FHEARN N#CCc1ccc(NC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000066343164 571358382 /nfs/dbraw/zinc/35/83/82/571358382.db2.gz RNMNTSXMTYWKCV-INIZCTEOSA-N 0 0 352.413 3.540 50 30 FHEARN Cc1sc(NC(=O)CSc2ncnc3ccccc32)c(C#N)c1C ZINC000008231602 571359946 /nfs/dbraw/zinc/35/99/46/571359946.db2.gz KNHKBNJXQYCOSV-UHFFFAOYSA-N 0 0 354.460 3.911 50 30 FHEARN