smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccccc1[C@H]1C[C@H](NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)C1 ZINC000329802003 1032450115 /nfs/dbraw/zinc/45/01/15/1032450115.db2.gz KBZHWYZBAPECCY-RYLXDESZSA-N 0 0 342.483 3.782 10 30 EHEERN Cc1ccccc1[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@H]2C1)C1CC1 ZINC000330128046 1017975081 /nfs/dbraw/zinc/97/50/81/1017975081.db2.gz NHWZMRXOTUAWEU-FBBABVLZSA-N 0 0 342.483 3.987 10 30 EHEERN Cc1nc([C@H](C)NC(=O)c2ccc3c(c2)NC(=O)CCN3C)cs1 ZINC000329090671 1019475821 /nfs/dbraw/zinc/47/58/21/1019475821.db2.gz JDYDMVWPRMMPQI-JTQLQIEISA-N 0 0 344.440 3.945 10 30 EHEERN COc1ccc(O)cc1C(=O)/C=C\c1c(C2CC2)nc2sccn12 ZINC000588409714 1020836309 /nfs/dbraw/zinc/83/63/09/1020836309.db2.gz RPFLRTQKVIBWQS-WAYWQWQTSA-N 0 0 340.404 3.884 10 30 EHEERN CC(C)Cn1cc(NC(=O)[C@H]2C[C@]23CCOc2ccccc23)cn1 ZINC000329831849 1033054729 /nfs/dbraw/zinc/05/47/29/1033054729.db2.gz SXSODONZOZHINU-APWZRJJASA-N 0 0 325.412 3.868 10 30 EHEERN Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CCC[C@H](n2cccn2)C1 ZINC000328703739 1022471552 /nfs/dbraw/zinc/47/15/52/1022471552.db2.gz OIWXLTMXPCVTCD-ZBFHGGJFSA-N 0 0 330.407 3.644 10 30 EHEERN Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](n3cccn3)C2)cc1F ZINC000328715528 1022476238 /nfs/dbraw/zinc/47/62/38/1022476238.db2.gz SWYAOZFHYVSUEH-ZBFHGGJFSA-N 0 0 330.407 3.644 10 30 EHEERN NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC000328741676 1022477983 /nfs/dbraw/zinc/47/79/83/1022477983.db2.gz NOSFFDHTJJYVPW-CFLYGVGMSA-N 0 0 328.412 3.777 10 30 EHEERN CC(=O)N[C@H](C(=O)NC[C@@H]1CCCn2cc(C)nc21)C1CCCC1 ZINC000328818513 1022496595 /nfs/dbraw/zinc/49/65/95/1022496595.db2.gz OHAAKPVROUSPQP-HOTGVXAUSA-N 0 0 332.448 3.561 10 30 EHEERN C[C@H]1OCC[C@H]1NC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000328934910 1022536406 /nfs/dbraw/zinc/53/64/06/1022536406.db2.gz FJMBNLKDORREMO-DGCLKSJQSA-N 0 0 331.416 3.729 10 30 EHEERN C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)CC(C)(C)C1 ZINC000328925134 1022548131 /nfs/dbraw/zinc/54/81/31/1022548131.db2.gz DSCGJRQUAITBMS-WBTNSWJXSA-N 0 0 333.476 3.917 10 30 EHEERN CCc1nc(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)sc1C ZINC000328974530 1022559125 /nfs/dbraw/zinc/55/91/25/1022559125.db2.gz VXEDLABPYAJIDH-BXUZGUMPSA-N 0 0 334.445 3.503 10 30 EHEERN Cc1cc(C)c(C#N)c(SCC2CCN(C(=O)CC(C)C)CC2)n1 ZINC000184962441 1023969464 /nfs/dbraw/zinc/96/94/64/1023969464.db2.gz KSUJYHGLFMHOMY-UHFFFAOYSA-N 0 0 345.512 3.947 10 30 EHEERN CC(C)c1ccc(C[C@@H](C)NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc1 ZINC000329730851 1024164766 /nfs/dbraw/zinc/16/47/66/1024164766.db2.gz GIPSYBJBHOSTNM-ZTFGCOKTSA-N 0 0 343.471 3.706 10 30 EHEERN C[C@H](CC(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1)C1CCCCC1 ZINC000329931425 1024253278 /nfs/dbraw/zinc/25/32/78/1024253278.db2.gz BGMOIMMOUYENQI-PVAVHDDUSA-N 0 0 348.466 3.956 10 30 EHEERN C[C@@H](CC1CCCC1)C(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000329991225 1024278009 /nfs/dbraw/zinc/27/80/09/1024278009.db2.gz WTERNUKFAFBIKL-BPUTZDHNSA-N 0 0 334.439 3.566 10 30 EHEERN O=C(N[C@@H]1CSc2ccccc21)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330076480 1024310735 /nfs/dbraw/zinc/31/07/35/1024310735.db2.gz DTGJUFCILMXDTF-ZMSDIMECSA-N 0 0 326.421 3.963 10 30 EHEERN O=C(Nc1ccc(OC(F)F)c2cccnc12)N1C[C@@H]2CCC[C@@H]21 ZINC000330086157 1024312486 /nfs/dbraw/zinc/31/24/86/1024312486.db2.gz RWUDSDDQRIEIAQ-GWCFXTLKSA-N 0 0 333.338 3.866 10 30 EHEERN C[C@H]1OCC[C@H]1NC(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000330271565 1024380301 /nfs/dbraw/zinc/38/03/01/1024380301.db2.gz WCPBGIZAOGZNBZ-BXKDBHETSA-N 0 0 329.227 3.664 10 30 EHEERN C[C@H](C(=O)NCC1CCCCC1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329045213 1025579747 /nfs/dbraw/zinc/57/97/47/1025579747.db2.gz PPTRSMLTSYNHJE-CJNGLKHVSA-N 0 0 346.475 3.662 10 30 EHEERN C[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C1 ZINC000329092645 1025597740 /nfs/dbraw/zinc/59/77/40/1025597740.db2.gz AGZKKSKBSALKEV-NGFQHRJXSA-N 0 0 333.432 3.950 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H]2CCCc3cc(F)ccc32)no1 ZINC000329130899 1025619504 /nfs/dbraw/zinc/61/95/04/1025619504.db2.gz OPQCZLPQIVRPED-HOTGVXAUSA-N 0 0 344.390 3.646 10 30 EHEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCC(C)(C)CC1)C2 ZINC000329294425 1025729713 /nfs/dbraw/zinc/72/97/13/1025729713.db2.gz RYXJRLOIAYJXAB-AWEZNQCLSA-N 0 0 332.492 3.531 10 30 EHEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@H](c2ccccc2)C1 ZINC000329435523 1025844556 /nfs/dbraw/zinc/84/45/56/1025844556.db2.gz JCHJBPJNVMISFQ-JFIYKMOQSA-N 0 0 343.471 3.924 10 30 EHEERN Cc1oc2ccccc2c1CNc1cnn(-c2ncccc2C#N)c1 ZINC000185844583 1026016111 /nfs/dbraw/zinc/01/61/11/1026016111.db2.gz OCCLCHINOAFNTM-UHFFFAOYSA-N 0 0 329.363 3.806 10 30 EHEERN Cc1ccc(N2CCC[C@H](NC(=O)C[C@@H]3CCC[C@@H](C)C3)C2)nn1 ZINC000329600117 1026057090 /nfs/dbraw/zinc/05/70/90/1026057090.db2.gz PXZJZZZUDAWJFM-OIISXLGYSA-N 0 0 330.476 3.927 10 30 EHEERN C=CCOc1cccc(NC(=O)N(C)CCc2ccccc2OC)c1 ZINC000105017812 1026481119 /nfs/dbraw/zinc/48/11/19/1026481119.db2.gz KUMWUXFWEUGWOL-UHFFFAOYSA-N 0 0 340.423 3.966 10 30 EHEERN CSc1cccc(N(C)C(=O)[C@H](C)Oc2ccccc2C#N)c1 ZINC000101833779 1027415663 /nfs/dbraw/zinc/41/56/63/1027415663.db2.gz AOHVBEKLOUCGOF-ZDUSSCGKSA-N 0 0 326.421 3.710 10 30 EHEERN C[C@@H](N[C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)s1 ZINC000186641724 1027736753 /nfs/dbraw/zinc/73/67/53/1027736753.db2.gz BGTAXMGEYBUEHN-KZULUSFZSA-N 0 0 340.427 3.933 10 30 EHEERN N#CCC[C@H](C#N)CN1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000252692401 1029227291 /nfs/dbraw/zinc/22/72/91/1029227291.db2.gz BHDNWEGHSDJSRC-SJLPKXTDSA-N 0 0 333.439 3.700 10 30 EHEERN CCn1nc(NC(=O)N[C@@H]2CCCc3cc(F)ccc32)cc1C1CC1 ZINC000329135676 1029864851 /nfs/dbraw/zinc/86/48/51/1029864851.db2.gz QQIWLHWJBWKAED-MRXNPFEDSA-N 0 0 342.418 3.745 10 30 EHEERN Cc1cnc([C@H](C)NC(=O)[C@]23CCC(=O)N2c2ccccc2S3)o1 ZINC000329242796 1030091734 /nfs/dbraw/zinc/09/17/34/1030091734.db2.gz AJRKBJKVWRJPSZ-APPDUMDISA-N 0 0 343.408 3.630 10 30 EHEERN C[C@]1(NC(=O)N[C@@H]2CCCc3cc(F)ccc32)CCO[C@H]1C1CC1 ZINC000329406543 1030632743 /nfs/dbraw/zinc/63/27/43/1030632743.db2.gz CESDJAIXKHZHFC-AOIWGVFYSA-N 0 0 332.419 3.664 10 30 EHEERN NC(=O)C1(CNC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)CCCC1 ZINC000329724033 1031969744 /nfs/dbraw/zinc/96/97/44/1031969744.db2.gz NWKLBLDKRKCPLC-IFXJQAMLSA-N 0 0 328.412 3.779 10 30 EHEERN C[C@@H](C#N)Oc1ccc(CNCc2ncc(-c3ccccc3)cn2)cc1 ZINC000185868441 1035550914 /nfs/dbraw/zinc/55/09/14/1035550914.db2.gz RYGAJAODNQOLSF-INIZCTEOSA-N 0 0 344.418 3.724 10 30 EHEERN Cc1c(NCc2cn(C)nc2-c2ccc(C#N)cc2)cccc1N(C)C ZINC000180385603 1036744396 /nfs/dbraw/zinc/74/43/96/1036744396.db2.gz RITMMHHZYQDZAI-UHFFFAOYSA-N 0 0 345.450 3.945 10 30 EHEERN N#Cc1ccc(Oc2cccc(C(=O)NCc3cscn3)c2)cc1 ZINC000103004609 1036788033 /nfs/dbraw/zinc/78/80/33/1036788033.db2.gz FXSBXGMWRFIBTF-UHFFFAOYSA-N 0 0 335.388 3.737 10 30 EHEERN C=CCNc1ncc(C(=O)N2CC=C(c3ccccc3F)CC2)s1 ZINC000119095101 1037880717 /nfs/dbraw/zinc/88/07/17/1037880717.db2.gz RCGWRWKPJVDKAY-UHFFFAOYSA-N 0 0 343.427 3.810 10 30 EHEERN Cc1c(NC(=O)N2CC[C@H]3CCC[C@@H]32)cccc1C(=O)N1CCCC1 ZINC000330233877 1039844862 /nfs/dbraw/zinc/84/48/62/1039844862.db2.gz GEIXIHJQKVADCA-QAPCUYQASA-N 0 0 341.455 3.651 10 30 EHEERN CC(C)n1cnnc1-c1ccccc1NC(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000330250700 1042550595 /nfs/dbraw/zinc/55/05/95/1042550595.db2.gz NCEMWQUTCBXSRW-WMLDXEAASA-N 0 0 339.443 3.946 10 30 EHEERN O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N1CC[C@H]2CCC[C@H]21 ZINC000330263867 1042704305 /nfs/dbraw/zinc/70/43/05/1042704305.db2.gz XCZFPNRGWIDNMM-UKPHBRMFSA-N 0 0 348.418 3.803 10 30 EHEERN Cc1cnn(-c2ccc(NC(=O)N3CC[C@H]4CCC[C@H]43)cc2F)c1 ZINC000330264876 1042730011 /nfs/dbraw/zinc/73/00/11/1042730011.db2.gz YKVDHIHLONXJRB-CZUORRHYSA-N 0 0 328.391 3.740 10 30 EHEERN N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@@H]4CCC[C@H]43)cc2)nc1 ZINC000330264993 1042732080 /nfs/dbraw/zinc/73/20/80/1042732080.db2.gz YPQCMJGCONSWID-MAUKXSAKSA-N 0 0 333.391 3.760 10 30 EHEERN C=CC[C@H]1N(C(=O)NC[C@H]2CCCn3ccnc32)CCCC1(C)C ZINC000333205758 1137958190 /nfs/dbraw/zinc/95/81/90/1137958190.db2.gz OOVQSEMWJIJRHR-HZPDHXFCSA-N 0 0 330.476 3.537 10 30 EHEERN COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)cc2)ccc1O ZINC000100191509 291002013 /nfs/dbraw/zinc/00/20/13/291002013.db2.gz UEPVWRDHSPMIAZ-IZTHOABVSA-N 0 0 338.359 3.844 10 30 biogenic,in-vivo EHEERN C=C(C)Cn1c(CCNC(=O)c2ccc(OC)cc2)nc2ccccc21 ZINC000040200248 213280250 /nfs/dbraw/zinc/28/02/50/213280250.db2.gz KBACSTAXSOWUQN-UHFFFAOYSA-N 0 0 349.434 3.594 10 30 EHEERN C=CCSc1ncnc2ccc(I)cc21 ZINC000028819727 212638284 /nfs/dbraw/zinc/63/82/84/212638284.db2.gz SXUCVOKPBBOBOQ-UHFFFAOYSA-N 0 0 328.178 3.513 10 30 EHEERN C[C@H](c1c(F)cccc1F)N1CCCN(c2ncccc2C#N)CC1 ZINC000066437850 201157901 /nfs/dbraw/zinc/15/79/01/201157901.db2.gz KAYXDGQJHOMXPL-CQSZACIVSA-N 0 0 342.393 3.505 10 30 EHEERN C[C@@H](NNC(=S)NCc1ccccc1)c1nccc2ccccc21 ZINC000027990770 201388631 /nfs/dbraw/zinc/38/86/31/201388631.db2.gz YRQVKIZGASSOQR-CQSZACIVSA-N 0 0 336.464 3.876 10 30 EHEERN CC(=O)c1c(C)[nH]c(C2=NNC(=Nc3ccc(C)cc3)SC2)c1C ZINC000006583577 201687312 /nfs/dbraw/zinc/68/73/12/201687312.db2.gz YMIVJKKSZBDYDE-UHFFFAOYSA-N 0 0 340.452 3.871 10 30 EHEERN C/N=C1\S/C(=C\c2cc(C)n(-c3cccc(F)c3)c2C)C(=O)N1C ZINC000073218584 203260376 /nfs/dbraw/zinc/26/03/76/203260376.db2.gz CZLXHRVHPRGRNF-GZUVOCMGSA-N 0 0 343.427 3.765 10 30 EHEERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CSc1cc(C#N)ccn1 ZINC000085332964 203542898 /nfs/dbraw/zinc/54/28/98/203542898.db2.gz FNKXSHRFNKJUNS-CQSZACIVSA-N 0 0 333.457 3.835 10 30 EHEERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOc1ncccc1C#N ZINC000095086342 203712674 /nfs/dbraw/zinc/71/26/74/203712674.db2.gz DTMBOWUIFFPESO-OAHLLOKOSA-N 0 0 331.416 3.512 10 30 EHEERN N#Cc1ccc(NC(=O)CCOc2cccc(Br)c2)cc1 ZINC000015576205 211831176 /nfs/dbraw/zinc/83/11/76/211831176.db2.gz ATDSIRJDUYLGDG-UHFFFAOYSA-N 0 0 345.196 3.728 10 30 EHEERN Cn1c2c(nc1[C@@H]1CCCN1Cc1cc(C#N)cs1)CCCC2 ZINC000328623965 258034065 /nfs/dbraw/zinc/03/40/65/258034065.db2.gz CFCLBCWXCNNHHO-KRWDZBQOSA-N 0 0 326.469 3.569 10 30 EHEERN CC(/C=N/NS(=O)(=O)c1ccc(Cl)cc1)=C/c1ccccc1 ZINC000002746916 563448418 /nfs/dbraw/zinc/44/84/18/563448418.db2.gz LQCHKKSCHWQNOB-APKIYPECSA-N 0 0 334.828 3.708 10 30 EHEERN CCOc1ccc2c(c1)[C@@H](NC(=O)/C=C/c1cccc(C#N)c1)CCO2 ZINC000187036244 1014810280 /nfs/dbraw/zinc/81/02/80/1014810280.db2.gz LWKIUGZCHYCCAQ-AIADIJKESA-N 0 0 348.402 3.610 10 30 EHEERN N#Cc1ccc(C2(C(=O)N3CC=C(c4cccs4)CC3)CC2)cc1 ZINC000187098058 1014843991 /nfs/dbraw/zinc/84/39/91/1014843991.db2.gz ZOHIDXQRBKVAMY-UHFFFAOYSA-N 0 0 334.444 3.967 10 30 EHEERN O=C(N[C@@H]1CCSC1)C1CCC(C(=O)N[C@H]2CCSC2)CC1 ZINC000329792208 1032390483 /nfs/dbraw/zinc/39/04/83/1032390483.db2.gz FHKZUIZAAMFJFO-LLZFXZEUSA-N 0 0 342.530 3.717 10 30 EHEERN C=CCC(CC=C)C(=O)N[C@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185522459 1032439243 /nfs/dbraw/zinc/43/92/43/1032439243.db2.gz JQPSWZOANVJTJA-IBGZPJMESA-N 0 0 344.430 3.504 10 30 EHEERN O=C(NCc1cc2ccccc2s1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330073980 1017534192 /nfs/dbraw/zinc/53/41/92/1017534192.db2.gz KXHWXYHZWDFHPN-DNVCBOLYSA-N 0 0 344.480 3.942 10 30 EHEERN O=C(NCc1cn2c(n1)CCCC2)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000328799483 1021080891 /nfs/dbraw/zinc/08/08/91/1021080891.db2.gz XRAZXTPRUVWGLK-HRCADAONSA-N 0 0 330.476 3.582 10 30 EHEERN CC(=O)Nc1ccc(C(=O)/C=C\c2c(Cl)nc3sccn23)cc1 ZINC000588419316 1021185818 /nfs/dbraw/zinc/18/58/18/1021185818.db2.gz DRUPLBFEFCDMTC-SREVYHEPSA-N 0 0 345.811 3.904 10 30 EHEERN N#Cc1cc(NCc2ncc(-c3ccccc3)cn2)ccc1[N+](=O)[O-] ZINC000184162740 1022433900 /nfs/dbraw/zinc/43/39/00/1022433900.db2.gz RMGOUZOLDGCICG-UHFFFAOYSA-N 0 0 331.335 3.536 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H](C)Cc1ccc(C)s1)CCC2 ZINC000328649492 1022453544 /nfs/dbraw/zinc/45/35/44/1022453544.db2.gz IQZVZMARWBJNGX-WFASDCNBSA-N 0 0 346.500 3.574 10 30 EHEERN CCS[C@@H]1CCCCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328677894 1022464651 /nfs/dbraw/zinc/46/46/51/1022464651.db2.gz AVGPSKLFTKVKOM-ZIAGYGMSSA-N 0 0 339.505 3.550 10 30 EHEERN O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328708456 1022471590 /nfs/dbraw/zinc/47/15/90/1022471590.db2.gz MHELAWQKZGSUAH-BHNDVYRESA-N 0 0 343.471 3.774 10 30 EHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N[C@H]1CCCc2cc(F)ccc21 ZINC000328760027 1022482667 /nfs/dbraw/zinc/48/26/67/1022482667.db2.gz XELRGBKNGSKLOD-JKSUJKDBSA-N 0 0 345.418 3.748 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)C[C@H](C)NC(=O)C1CCCC1)CCC2 ZINC000328823545 1022495832 /nfs/dbraw/zinc/49/58/32/1022495832.db2.gz PLJKLKVSXIVEMR-BBRMVZONSA-N 0 0 346.475 3.951 10 30 EHEERN CC1(C)C[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)c2ccccc21 ZINC000328861992 1022520048 /nfs/dbraw/zinc/52/00/48/1022520048.db2.gz FLONRQHWLPRGPT-SOLBZPMBSA-N 0 0 341.455 3.810 10 30 EHEERN C[C@@H](CC(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1)C1CCCCC1 ZINC000329931427 1024254208 /nfs/dbraw/zinc/25/42/08/1024254208.db2.gz BGMOIMMOUYENQI-XIRDDKMYSA-N 0 0 348.466 3.956 10 30 EHEERN CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)C1CCC(F)(F)CC1 ZINC000329958296 1024264969 /nfs/dbraw/zinc/26/49/69/1024264969.db2.gz PYJHDNBLRWWPKC-DZGCQCFKSA-N 0 0 341.402 3.763 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCSc2ccccc21 ZINC000330060566 1024307513 /nfs/dbraw/zinc/30/75/13/1024307513.db2.gz MWXASSNZJDMDHD-CKEIUWERSA-N 0 0 343.452 3.691 10 30 EHEERN C=CCC(CC=C)C(=O)N1CC[C@H](c2cc(OC)cc(OC)c2)C1 ZINC000151768537 1024584414 /nfs/dbraw/zinc/58/44/14/1024584414.db2.gz ZBGJRLRRXSIWGF-INIZCTEOSA-N 0 0 329.440 3.788 10 30 EHEERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000329038978 1025576325 /nfs/dbraw/zinc/57/63/25/1025576325.db2.gz SEUVIIHWWRNVHL-QBPKDAKJSA-N 0 0 331.460 3.906 10 30 EHEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCSC1 ZINC000329076127 1025589916 /nfs/dbraw/zinc/58/99/16/1025589916.db2.gz CCZRDTRYKPGRLJ-IIAWOOMASA-N 0 0 337.489 3.641 10 30 EHEERN Cc1nc([C@H]2CCCN2C(=O)Nc2csc3ccccc23)no1 ZINC000329262896 1025704738 /nfs/dbraw/zinc/70/47/38/1025704738.db2.gz ZONRWZYADXZBHR-CYBMUJFWSA-N 0 0 328.397 3.975 10 30 EHEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCC[C@H]1C1CCC1)C2 ZINC000329272853 1025714679 /nfs/dbraw/zinc/71/46/79/1025714679.db2.gz JSYLKGQTODQKNU-HOTGVXAUSA-N 0 0 344.503 3.674 10 30 EHEERN C[C@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccc(F)c(Cl)c1 ZINC000329483493 1025911454 /nfs/dbraw/zinc/91/14/54/1025911454.db2.gz QDRVTVWMWJJBBF-DRCTWCGVSA-N 0 0 339.798 3.505 10 30 EHEERN Cc1nc(C[C@@H]2CCCN(C(=O)NCC[C@@H]3CCC[C@@H](C)C3)C2)no1 ZINC000329491002 1025922795 /nfs/dbraw/zinc/92/27/95/1025922795.db2.gz YZTOPVGKFJAABJ-PVAVHDDUSA-N 0 0 348.491 3.763 10 30 EHEERN C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000329495942 1025923667 /nfs/dbraw/zinc/92/36/67/1025923667.db2.gz XERVMKQHNAOJBW-LXZKKBNFSA-N 0 0 331.460 3.627 10 30 EHEERN CCN(C)c1ccc([C@H](C)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000186019860 1026119349 /nfs/dbraw/zinc/11/93/49/1026119349.db2.gz VQCKUTUUILDJLB-HNNXBMFYSA-N 0 0 346.438 3.768 10 30 EHEERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)C3(C#N)CCCCC3)C2)cc1 ZINC000122195553 1026265271 /nfs/dbraw/zinc/26/52/71/1026265271.db2.gz IZZOTGNDCPKBRX-DOTOQJQBSA-N 0 0 326.440 3.874 10 30 EHEERN Cc1cnc([C@H](C)NC(=O)N2CCC[C@@H](c3nc(C)c(C)s3)C2)o1 ZINC000329287533 1028171733 /nfs/dbraw/zinc/17/17/33/1028171733.db2.gz PEDJICGNKAMPST-GXTWGEPZSA-N 0 0 348.472 3.911 10 30 EHEERN O=C1NC(=Nc2cccc(C(F)(F)F)c2)S/C1=C/c1cocn1 ZINC000588561444 1028402633 /nfs/dbraw/zinc/40/26/33/1028402633.db2.gz RQUWHLGHAFBZLT-VZUCSPMQSA-N 0 0 339.298 3.585 10 30 EHEERN CCC1CCC(NC(=O)N(C)[C@H]2CCO[C@@H]2c2cccnc2)CC1 ZINC000329144322 1029878261 /nfs/dbraw/zinc/87/82/61/1029878261.db2.gz WFOVIRSPJNMUFP-DQVOVIAYSA-N 0 0 331.460 3.726 10 30 EHEERN O=C(N[C@@H]1CCCC[C@@H]1O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000329264368 1030163302 /nfs/dbraw/zinc/16/33/02/1030163302.db2.gz DTDBHQCZCYDNMK-KURKYZTESA-N 0 0 332.419 3.569 10 30 EHEERN C[C@@H](NC(=O)N1CCOC2(C1)CCCCCC2)c1cncc(F)c1 ZINC000329287772 1030285709 /nfs/dbraw/zinc/28/57/09/1030285709.db2.gz HLFWFPVORXPZKC-CQSZACIVSA-N 0 0 335.423 3.621 10 30 EHEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)NC1(C)CCCCC1)C2 ZINC000329339340 1030470527 /nfs/dbraw/zinc/47/05/27/1030470527.db2.gz QYRUHWSGOLRWRP-AWEZNQCLSA-N 0 0 332.492 3.722 10 30 EHEERN C=C[C@H](CC(=O)N1CCC(Cc2nccn2C)CC1)c1ccccc1 ZINC000179445285 1031776036 /nfs/dbraw/zinc/77/60/36/1031776036.db2.gz YPHQYYIQXQXUPA-GOSISDBHSA-N 0 0 337.467 3.561 10 30 EHEERN Cn1c(=O)sc2cc(/C=C3\CCc4cc(O)ccc4C3=O)ccc21 ZINC000588590151 1031990214 /nfs/dbraw/zinc/99/02/14/1031990214.db2.gz CIMIBMAWTZMDQX-MDWZMJQESA-N 0 0 337.400 3.518 10 30 EHEERN CCCCCCC[C@H](C)CNC(=O)N1CCC(n2cncn2)CC1 ZINC000101985804 1037576937 /nfs/dbraw/zinc/57/69/37/1037576937.db2.gz VFLHUEYEQWGPJR-INIZCTEOSA-N 0 0 335.496 3.621 10 30 EHEERN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCOC3(CCOCC3)C2)cc1C ZINC000330214592 1038772088 /nfs/dbraw/zinc/77/20/88/1038772088.db2.gz GHJJZHIADORWCI-WMZOPIPTSA-N 0 0 346.471 3.596 10 30 EHEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000408167897 1042073884 /nfs/dbraw/zinc/07/38/84/1042073884.db2.gz ZHLFSHHZNRFYJV-GXTWGEPZSA-N 0 0 327.384 3.542 10 30 EHEERN N#Cc1c(F)cccc1C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190272840 1042266238 /nfs/dbraw/zinc/26/62/38/1042266238.db2.gz FVMYTMZPOJRIIV-LBPRGKRZSA-N 0 0 344.336 3.995 10 30 EHEERN Cc1ccc(NC(=O)N2CC[C@@H]3CCC[C@H]32)c(OC[C@@H]2CCCO2)c1 ZINC000330254421 1042581424 /nfs/dbraw/zinc/58/14/24/1042581424.db2.gz PEASXKXBOKZXSC-XYJFISCASA-N 0 0 344.455 3.973 10 30 EHEERN Cc1c(NC(=O)N2CC[C@@H]3CCC[C@H]32)cnn1-c1ccccc1F ZINC000330260641 1042659275 /nfs/dbraw/zinc/65/92/75/1042659275.db2.gz SURMIZNQUCGOCE-XJKSGUPXSA-N 0 0 328.391 3.740 10 30 EHEERN Cc1cnc([C@@H](C)NC(=O)N2CCC(c3ncc(C)s3)CC2)o1 ZINC000330331094 1042906085 /nfs/dbraw/zinc/90/60/85/1042906085.db2.gz NVUSNSOAEICDJY-GFCCVEGCSA-N 0 0 334.445 3.603 10 30 EHEERN C#Cc1cccc(N(CC)C(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000103101429 1132683379 /nfs/dbraw/zinc/68/33/79/1132683379.db2.gz SFGJPCXRVBNABC-UHFFFAOYSA-N 0 0 333.347 3.724 10 30 EHEERN CCN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N\c1cccc(O)c1 ZINC000016904321 201982302 /nfs/dbraw/zinc/98/23/02/201982302.db2.gz AWMACXXVNAPENX-OHBWFZAWSA-N 0 0 340.404 3.722 10 30 EHEERN CCCCCCCCCCCC(=O)N[C@H](CCCC[NH3+])C(=O)[O-] ZINC000103718813 219321460 /nfs/dbraw/zinc/32/14/60/219321460.db2.gz PDQICKRFOKDJCH-MRXNPFEDSA-N 0 0 328.497 3.606 10 30 EHEERN C=C(C)n1c2cc(C)c(C)cc2n(CC(=O)N(C)c2ccccc2)c1=O ZINC000040311296 213291175 /nfs/dbraw/zinc/29/11/75/213291175.db2.gz WBFVTOXQDFPMGW-UHFFFAOYSA-N 0 0 349.434 3.573 10 30 EHEERN COc1cc(Br)c([C@@H](C#N)NC2CCCC2)cc1OC ZINC000037968345 202070992 /nfs/dbraw/zinc/07/09/92/202070992.db2.gz YGMMHKHZPNJBDD-CYBMUJFWSA-N 0 0 339.233 3.563 10 30 EHEERN COc1ccc([C@H](C#N)NCc2ccccc2)cc1Br ZINC000038052235 202093420 /nfs/dbraw/zinc/09/34/20/202093420.db2.gz HVCFZTCBCOWGSW-HNNXBMFYSA-N 0 0 331.213 3.812 10 30 EHEERN C/C(=N/OCC(=O)Nc1nc2ccccc2s1)c1ccc(C)cc1 ZINC000033323069 202257308 /nfs/dbraw/zinc/25/73/08/202257308.db2.gz JOUCCWURMZHYRH-BKUYFWCQSA-N 0 0 339.420 3.984 10 30 EHEERN C=C(C)C(=O)NCCc1nc2ccccc2n1Cc1cc(C)ccc1C ZINC000035144501 213010583 /nfs/dbraw/zinc/01/05/83/213010583.db2.gz NOVDHUHMPGAEPV-UHFFFAOYSA-N 0 0 347.462 3.936 10 30 EHEERN CCOC(=O)c1sc(NC(=O)/C=C\c2ccc(C)o2)c(C#N)c1C ZINC000033623921 202267787 /nfs/dbraw/zinc/26/77/87/202267787.db2.gz XWPGNVMUGQEMIC-FPLPWBNLSA-N 0 0 344.392 3.658 10 30 EHEERN S=C(N/N=C\c1cccc(Br)c1)NC1CCCCC1 ZINC000033650911 202267838 /nfs/dbraw/zinc/26/78/38/202267838.db2.gz BWLBOCCGQHQQRF-YBEGLDIGSA-N 0 0 340.290 3.580 10 30 EHEERN CC(=O)N(C)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000100207568 206217727 /nfs/dbraw/zinc/21/77/27/206217727.db2.gz QGCLRURBMTUZLC-ZDLGFXPLSA-N 0 0 331.759 3.982 10 30 EHEERN O=C(O/N=C(/c1ccccc1)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000006528971 526412597 /nfs/dbraw/zinc/41/25/97/526412597.db2.gz NWYNAVVUNVPEKA-UZYVYHOESA-N 0 0 347.330 3.599 10 30 EHEERN O=[N+]([O-])c1ccc(NN=Cc2ccccc2O)c(C(F)(F)F)c1 ZINC000005945791 563554993 /nfs/dbraw/zinc/55/49/93/563554993.db2.gz GTFIJWWKPPEPGY-QGMBQPNBSA-N 0 0 325.246 3.765 10 30 EHEERN Cc1ccc(NC(=O)O/N=C/c2ccc(N(C)C)cc2)c([N+](=O)[O-])c1 ZINC000004180159 564161034 /nfs/dbraw/zinc/16/10/34/564161034.db2.gz OEOAWQBZJDCZNR-WOJGMQOQSA-N 0 0 342.355 3.552 10 30 EHEERN Cc1nc(-c2ccccc2NC(=O)N[C@H]2CCC[C@H]2C#N)cs1 ZINC000333436729 1019558291 /nfs/dbraw/zinc/55/82/91/1019558291.db2.gz LAVUMKZPQQKZOA-JSGCOSHPSA-N 0 0 326.425 3.932 10 30 EHEERN Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H](n3cccn3)C2)cc1F ZINC000328715527 1022475924 /nfs/dbraw/zinc/47/59/24/1022475924.db2.gz SWYAOZFHYVSUEH-HOCLYGCPSA-N 0 0 330.407 3.644 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCOc3ccccc31)CCC2 ZINC000328787095 1022500608 /nfs/dbraw/zinc/50/06/08/1022500608.db2.gz LAIYHFKJEPBRME-GOEBONIOSA-N 0 0 325.412 3.592 10 30 EHEERN O=C(N[C@@H]1CCC[C@H]1c1ccccc1)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328863134 1022520352 /nfs/dbraw/zinc/52/03/52/1022520352.db2.gz FWAQMTXNLYRDIS-DODZYUBVSA-N 0 0 341.455 3.724 10 30 EHEERN COc1ccc2c(c1)[C@H](C(=O)NC[C@@H]1CCCn3cc(C)nc31)CC2 ZINC000329886130 1024234114 /nfs/dbraw/zinc/23/41/14/1024234114.db2.gz VRJGTBZQXYSLDU-DOTOQJQBSA-N 0 0 339.439 3.764 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1COc3cc(C)c(C)cc31)CCC2 ZINC000329962469 1024266997 /nfs/dbraw/zinc/26/69/97/1024266997.db2.gz PFZCZEGLJVWFPR-RDJZCZTQSA-N 0 0 339.439 3.818 10 30 EHEERN CC(C)C1CCC(CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000330063393 1024307776 /nfs/dbraw/zinc/30/77/76/1024307776.db2.gz BLWDMLXRMGNJNZ-AJTLQJAISA-N 0 0 333.476 3.917 10 30 EHEERN C[C@H](Cc1nc2ccccc2s1)NC(=O)[C@@]1(C)CCCNC1=O ZINC000330265840 1024377514 /nfs/dbraw/zinc/37/75/14/1024377514.db2.gz ZUOXYFSLRZRCLK-DIFFPNOSSA-N 0 0 331.441 3.940 10 30 EHEERN O=C(C[C@@H]1C[C@H]1c1ccccc1)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000329101596 1025603565 /nfs/dbraw/zinc/60/35/65/1025603565.db2.gz NAONGMYNBQCBAB-CGBFIWBNSA-N 0 0 343.467 3.704 10 30 EHEERN Cc1ccc([C@H]2OCCC[C@@H]2C(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000329140041 1025622381 /nfs/dbraw/zinc/62/23/81/1025622381.db2.gz SUGPVFDTIWJMDN-GVDBMIGSSA-N 0 0 340.427 3.546 10 30 EHEERN CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000329179213 1025646404 /nfs/dbraw/zinc/64/64/04/1025646404.db2.gz MPFMMJUNSWOQIG-XHSDSOJGSA-N 0 0 334.464 3.515 10 30 EHEERN C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329262338 1025703857 /nfs/dbraw/zinc/70/38/57/1025703857.db2.gz BIWHCQIWQDSIGM-YCCRMZCTSA-N 0 0 345.443 3.546 10 30 EHEERN Cn1cc([C@@H]2CCN(C(=O)NCc3csc4ccccc34)C2)cn1 ZINC000329350244 1025772320 /nfs/dbraw/zinc/77/23/20/1025772320.db2.gz WUHVNXRKVOAXSM-CYBMUJFWSA-N 0 0 340.452 3.538 10 30 EHEERN Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H]3c4ccccc4C[C@H]3C)C2)c1 ZINC000329423830 1025831660 /nfs/dbraw/zinc/83/16/60/1025831660.db2.gz GFHCFXUZGKGCGV-SUMDDJOVSA-N 0 0 338.455 3.676 10 30 EHEERN CC(C)c1nnc2n1CCN(C(=O)Nc1csc3ccccc13)C2 ZINC000329456349 1025868364 /nfs/dbraw/zinc/86/83/64/1025868364.db2.gz QEUDLUMAWADNSX-UHFFFAOYSA-N 0 0 341.440 3.678 10 30 EHEERN C[C@@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccc(F)c(Cl)c1 ZINC000329483494 1025911518 /nfs/dbraw/zinc/91/15/18/1025911518.db2.gz QDRVTVWMWJJBBF-GLXFQSAKSA-N 0 0 339.798 3.505 10 30 EHEERN CC[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccccc1OC ZINC000186013786 1025958661 /nfs/dbraw/zinc/95/86/61/1025958661.db2.gz NRYVTIOQCQMRTC-KRWDZBQOSA-N 0 0 333.395 3.711 10 30 EHEERN C=CCOc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@@H]2C)cc1 ZINC000103376142 1026069137 /nfs/dbraw/zinc/06/91/37/1026069137.db2.gz DIVMIJRBADZRLF-ZDUSSCGKSA-N 0 0 338.363 3.751 10 30 EHEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1cc(F)cc(F)c1 ZINC000186021024 1026121187 /nfs/dbraw/zinc/12/11/87/1026121187.db2.gz KFZWMZYBMNSUBY-NSHDSACASA-N 0 0 325.322 3.590 10 30 EHEERN Cc1nc([C@@H](C)NC(=O)c2ccc3c(c2)NC(=O)CCN3C)cs1 ZINC000329090672 1026866084 /nfs/dbraw/zinc/86/60/84/1026866084.db2.gz JDYDMVWPRMMPQI-SNVBAGLBSA-N 0 0 344.440 3.945 10 30 EHEERN N#C[C@H]1CCC[C@@H]1NC(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000333553193 1027109663 /nfs/dbraw/zinc/10/96/63/1027109663.db2.gz FYFGBKKWFCDEBS-DOMZBBRYSA-N 0 0 337.345 3.506 10 30 EHEERN N#CCOc1cccc(CC(=O)N2CC=C(c3cccs3)CC2)c1 ZINC000089811740 1030007725 /nfs/dbraw/zinc/00/77/25/1030007725.db2.gz JZGQPOOGNWJGPX-UHFFFAOYSA-N 0 0 338.432 3.509 10 30 EHEERN O=C(NC1CC1)[C@@H]1CCCN1C(=O)c1cnc(-c2ccsc2)s1 ZINC000329227318 1030041920 /nfs/dbraw/zinc/04/19/20/1030041920.db2.gz BBFQNQZFFYKAKE-LBPRGKRZSA-N 0 0 347.465 3.595 10 30 EHEERN Cc1cc(N2CCCCCC2)ccc1NC(=O)N[C@@H]1CCCNC1=O ZINC000329242071 1030091911 /nfs/dbraw/zinc/09/19/11/1030091911.db2.gz ACHNEEYXINSXHZ-QGZVFWFLSA-N 0 0 344.459 3.820 10 30 EHEERN N#Cc1ccc(CN2C(=O)S/C(=C\c3cccs3)C2=O)cc1F ZINC000588581063 1030495036 /nfs/dbraw/zinc/49/50/36/1030495036.db2.gz MZMWUSKSAFDCEA-AUWJEWJLSA-N 0 0 344.392 3.995 10 30 EHEERN CCOc1ccc(C=NOCc2ccc(C#N)c(F)c2)cc1OC ZINC000588581462 1030573817 /nfs/dbraw/zinc/57/38/17/1030573817.db2.gz HJFYONVPRSDSJM-UHFFFAOYSA-N 0 0 328.343 3.655 10 30 EHEERN Cc1ccc([C@@H]2CN(Cc3cccc(OCCCC#N)c3)CCO2)o1 ZINC000093864773 1030686655 /nfs/dbraw/zinc/68/66/55/1030686655.db2.gz YNZNCOFBNMLCKS-FQEVSTJZSA-N 0 0 340.423 3.844 10 30 EHEERN C=CCCCCCN(C)C(=O)NCC[C@@H]1c2ccccc2NC1=O ZINC000172468385 1030947805 /nfs/dbraw/zinc/94/78/05/1030947805.db2.gz MUCRHIOISRJYBC-MRXNPFEDSA-N 0 0 329.444 3.500 10 30 EHEERN CNc1cc(N2CCC[C@@H]2CNC(=O)C[C@@H]2CCC[C@@H](C)C2)ncn1 ZINC000329637462 1031528941 /nfs/dbraw/zinc/52/89/41/1031528941.db2.gz AGPJGIZFKHMATJ-BZUAXINKSA-N 0 0 345.491 3.660 10 30 EHEERN CN1CC[C@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)c2ccccc21 ZINC000179783997 1031809557 /nfs/dbraw/zinc/80/95/57/1031809557.db2.gz PDFQHNLHZAPFFZ-QGZVFWFLSA-N 0 0 345.446 3.595 10 30 EHEERN N#Cc1cc(C(=O)OC/C=C\c2cccc(C(F)(F)F)c2)ccn1 ZINC000588616436 1033388656 /nfs/dbraw/zinc/38/86/56/1033388656.db2.gz PGNJQGCRYXWQNP-RQOWECAXSA-N 0 0 332.281 3.842 10 30 EHEERN Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(F)c2C#N)[C@@H](C)CO1 ZINC000188274171 1034247065 /nfs/dbraw/zinc/24/70/65/1034247065.db2.gz CTGFMXBVVOJRQJ-LIRRHRJNSA-N 0 0 338.382 3.608 10 30 EHEERN C=CC[C@H](C(=O)N1CCO[C@H](c2ccc(C)o2)C1)c1ccccc1 ZINC000187219425 1035789243 /nfs/dbraw/zinc/78/92/43/1035789243.db2.gz AKYBSKIBWPVCCZ-HKUYNNGSSA-N 0 0 325.408 3.848 10 30 EHEERN C=CCN(Cc1nc(-c2ccoc2)no1)Cc1ccc(OC)cc1 ZINC000105608296 1037203386 /nfs/dbraw/zinc/20/33/86/1037203386.db2.gz XRIBNZUIZUHXSC-UHFFFAOYSA-N 0 0 325.368 3.526 10 30 EHEERN N#C[C@H]1N(C(=O)c2cccn2C2CCCC2)CCC[C@@]12CCCCO2 ZINC000408270270 1042903070 /nfs/dbraw/zinc/90/30/70/1042903070.db2.gz VIJPNDYENNIALF-QUCCMNQESA-N 0 0 341.455 3.671 10 30 EHEERN Cc1nc(C)c(C(=O)NC2(C#N)CCC(C(C)(C)C)CC2)nc1C ZINC000187304999 1043936406 /nfs/dbraw/zinc/93/64/06/1043936406.db2.gz HLSQEOMTTAYTIT-UHFFFAOYSA-N 0 0 328.460 3.630 10 30 EHEERN C#CC[C@H](OC(=O)Cc1ccccc1C(F)(F)F)c1ccccn1 ZINC000105550069 1135953684 /nfs/dbraw/zinc/95/36/84/1135953684.db2.gz HNAGISMZNCJZSS-INIZCTEOSA-N 0 0 333.309 3.951 10 30 EHEERN N#CC1(CNC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CCC1 ZINC000333530284 1138300922 /nfs/dbraw/zinc/30/09/22/1138300922.db2.gz MBZAANKXLDXVBM-MRXNPFEDSA-N 0 0 339.439 3.816 10 30 EHEERN C=C(C)n1c2cc(C)c(C)cc2n(CC(=O)N(C(C)C)C(C)C)c1=O ZINC000040311280 213291091 /nfs/dbraw/zinc/29/10/91/213291091.db2.gz AIBKVBJHDCAWDS-UHFFFAOYSA-N 0 0 343.471 3.556 10 30 EHEERN C=C[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@H](OC)c1ccnc2ccc(OC)cc21 ZINC000038342874 213207348 /nfs/dbraw/zinc/20/73/48/213207348.db2.gz QSOFUNXFUMLXCR-LATRNWQMSA-N 0 0 338.451 3.827 10 30 EHEERN N#CCCc1ccc2c(c1)-c1[nH]c3ccc([N+](=O)[O-])cc3c1CC(=O)N2 ZINC000029057047 202180332 /nfs/dbraw/zinc/18/03/32/202180332.db2.gz UBLFSMURWWWWMH-UHFFFAOYSA-N 0 0 346.346 3.694 10 30 in-vitro EHEERN Cc1cscc1C(=O)NC[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328630798 564137078 /nfs/dbraw/zinc/13/70/78/564137078.db2.gz QFDSMRRACZZROL-JTQLQIEISA-N 0 0 343.374 3.839 10 30 EHEERN C=C(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC000685961328 564177149 /nfs/dbraw/zinc/17/71/49/564177149.db2.gz GBXVRINFCYDEJR-HOCLYGCPSA-N 0 0 333.428 3.630 10 30 EHEERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N[C@@H]1CCCc2c[nH]nc21 ZINC000330128335 1017974670 /nfs/dbraw/zinc/97/46/70/1017974670.db2.gz JKKGJKDKDIDOFI-WCFLWFBJSA-N 0 0 344.381 3.659 10 30 EHEERN N#C[C@]1(C(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)CC12CCCC2 ZINC000333533120 1019918710 /nfs/dbraw/zinc/91/87/10/1019918710.db2.gz JLILYKONSVUZBN-XEZPLFJOSA-N 0 0 328.378 3.945 10 30 EHEERN COc1ccc(O)cc1C(=O)/C=C\c1csc(-c2ccccn2)n1 ZINC000588410368 1020855125 /nfs/dbraw/zinc/85/51/25/1020855125.db2.gz LYNUVMKOLCPZEZ-ALCCZGGFSA-N 0 0 338.388 3.815 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1C[C@H](C)[C@@H]1c1ccccc1)CCC2 ZINC000328641323 1022451484 /nfs/dbraw/zinc/45/14/84/1022451484.db2.gz DCHZAGQJTLJJPI-JCGIZDLHSA-N 0 0 338.455 3.676 10 30 EHEERN CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328870415 1022524134 /nfs/dbraw/zinc/52/41/34/1022524134.db2.gz HYXJFLQQZKHERQ-ZHALLVOQSA-N 0 0 343.471 3.751 10 30 EHEERN O=C(Nc1cccc2c1OCCO2)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000328895614 1022572159 /nfs/dbraw/zinc/57/21/59/1022572159.db2.gz WHOFKCQDUKQULF-VBKZILBWSA-N 0 0 337.375 3.786 10 30 EHEERN CC(C)Oc1ccc([C@H](C)NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]23)cc1 ZINC000329836433 1033152026 /nfs/dbraw/zinc/15/20/26/1033152026.db2.gz LSWOAOJEONXBCW-OXXUSNJHSA-N 0 0 333.428 3.543 10 30 EHEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC2(CCC2)[C@@H]1C1CC1 ZINC000329661004 1024016616 /nfs/dbraw/zinc/01/66/16/1024016616.db2.gz OIHSKYZXGZTMQJ-BMFZPTHFSA-N 0 0 333.476 3.699 10 30 EHEERN Cc1cc(Cl)cnc1NC(=O)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000329768212 1024185512 /nfs/dbraw/zinc/18/55/12/1024185512.db2.gz GHKHUUHYMXOABB-UONOGXRCSA-N 0 0 335.835 3.622 10 30 EHEERN C[C@@H]1CC(CNC(=O)N[C@@H]2CCCc3ccc(F)cc32)C[C@@H](C)O1 ZINC000329810360 1024205286 /nfs/dbraw/zinc/20/52/86/1024205286.db2.gz CIPLOVRITGGHDX-SNUQEOBHSA-N 0 0 334.435 3.910 10 30 EHEERN O=C(C[C@@H]1CCCCNC1=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000329812338 1024206347 /nfs/dbraw/zinc/20/63/47/1024206347.db2.gz CHNUQPRUKUZUIY-KBPBESRZSA-N 0 0 332.400 3.589 10 30 EHEERN Cc1cc(C)n(-c2ccc(NC(=O)N3C[C@@H]4CCC[C@@H]43)cc2F)n1 ZINC000329913056 1024247229 /nfs/dbraw/zinc/24/72/29/1024247229.db2.gz BNDUEONOJATIGY-BBRMVZONSA-N 0 0 328.391 3.658 10 30 EHEERN Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]32)c(OC[C@@H]2CCCO2)c1 ZINC000329912191 1024247327 /nfs/dbraw/zinc/24/73/27/1024247327.db2.gz BDZFBSRMWQYJGK-YQQAZPJKSA-N 0 0 330.428 3.583 10 30 EHEERN O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1C[C@@H]2CCC[C@H]21 ZINC000329945532 1024260150 /nfs/dbraw/zinc/26/01/50/1024260150.db2.gz XGQPEJHPUNULQM-GZMMTYOYSA-N 0 0 325.290 3.876 10 30 EHEERN C[C@@H]1C[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)CC(C)(C)C1 ZINC000329980310 1024273594 /nfs/dbraw/zinc/27/35/94/1024273594.db2.gz LCBXCSCICRIGKP-UGUYLWEFSA-N 0 0 348.466 3.812 10 30 EHEERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1sc(C)c(C)c1C#N ZINC000329021132 1024422513 /nfs/dbraw/zinc/42/25/13/1024422513.db2.gz MCBAHFYXUHKATF-TZMCWYRMSA-N 0 0 344.440 3.819 10 30 EHEERN CCN1CCOC[C@@H]1C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000329391860 1025802178 /nfs/dbraw/zinc/80/21/78/1025802178.db2.gz RWTXGVWSDCNFBN-DLBZAZTESA-N 0 0 344.455 3.500 10 30 EHEERN O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)N1C[C@H]2CCC[C@H]21 ZINC000329473492 1025896882 /nfs/dbraw/zinc/89/68/82/1025896882.db2.gz OOQRCYNZZXTSNL-MLGOLLRUSA-N 0 0 334.379 3.920 10 30 EHEERN CC[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000186006507 1025928908 /nfs/dbraw/zinc/92/89/08/1025928908.db2.gz GKOCSIVLRYTQFF-QGZVFWFLSA-N 0 0 348.366 3.610 10 30 EHEERN N#Cc1cccnc1-n1cc(N[C@H]2CSCCc3ccccc32)cn1 ZINC000186012782 1025946599 /nfs/dbraw/zinc/94/65/99/1025946599.db2.gz AMPVUANQFLIDLY-SFHVURJKSA-N 0 0 347.447 3.581 10 30 EHEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1cc(F)cc(F)c1 ZINC000186021045 1026122316 /nfs/dbraw/zinc/12/23/16/1026122316.db2.gz KFZWMZYBMNSUBY-LLVKDONJSA-N 0 0 325.322 3.590 10 30 EHEERN N#Cc1cc(F)c(C(=O)N2CC=C(c3cccs3)CC2)c(F)c1 ZINC000152116216 1028815837 /nfs/dbraw/zinc/81/58/37/1028815837.db2.gz FJMBIEVUYZKEOC-UHFFFAOYSA-N 0 0 330.359 3.827 10 30 EHEERN Cc1ccc(NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(C)c1 ZINC000114564489 1029452085 /nfs/dbraw/zinc/45/20/85/1029452085.db2.gz NQWMYZUHQCJZDF-IBGZPJMESA-N 0 0 348.450 3.545 10 30 EHEERN N#CCSc1cccc(C(=O)N2CC[C@H](Nc3ccccc3)C2)c1 ZINC000079804785 1029725763 /nfs/dbraw/zinc/72/57/63/1029725763.db2.gz FFFQGSPSAWYLRU-KRWDZBQOSA-N 0 0 337.448 3.629 10 30 EHEERN Cn1cc([C@@H]2CCCN2C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cn1 ZINC000329171581 1029945418 /nfs/dbraw/zinc/94/54/18/1029945418.db2.gz KFBBJGVBWPIZAV-IDCNUPLLSA-N 0 0 330.476 3.830 10 30 EHEERN C[C@H](NC(=O)C1CCS(=O)(=O)CC1)c1ccc2ccccc2c1 ZINC000329199081 1029991460 /nfs/dbraw/zinc/99/14/60/1029991460.db2.gz UWQHWQULUXYSRX-ZDUSSCGKSA-N 0 0 331.437 3.682 10 30 EHEERN O=C(/C=C\c1cocn1)c1ccc(OC(F)F)cc1OC(F)F ZINC000588579583 1030183340 /nfs/dbraw/zinc/18/33/40/1030183340.db2.gz TYRUFZZOPDHOLG-RJRFIUFISA-N 0 0 331.221 3.774 10 30 EHEERN Cc1ccccc1[C@H](NC(=O)N1CCC(c2cc[nH]n2)CC1)C1CC1 ZINC000329469521 1030844997 /nfs/dbraw/zinc/84/49/97/1030844997.db2.gz XNPOFZCCMGVYFS-LJQANCHMSA-N 0 0 338.455 3.963 10 30 EHEERN N#Cc1cc(NS(=O)(=O)c2cccc3ncccc32)ccc1Cl ZINC000102319786 1030897766 /nfs/dbraw/zinc/89/77/66/1030897766.db2.gz HZQNNLBETPOSIA-UHFFFAOYSA-N 0 0 343.795 3.561 10 30 EHEERN Cc1ccc(Cl)c2ccc(NC(=O)[C@@H]3OC[C@H]4COCC[C@H]43)nc12 ZINC000329602507 1031287032 /nfs/dbraw/zinc/28/70/32/1031287032.db2.gz YBMYNCCPPIGWKX-PSTGCABASA-N 0 0 346.814 3.836 10 30 EHEERN Cc1cccc2nc(CNC(=O)[C@@H]3C[C@@]34CCOc3ccccc34)cn21 ZINC000329730037 1032004296 /nfs/dbraw/zinc/00/42/96/1032004296.db2.gz PJQPQAQSWCVJKH-LAUBAEHRSA-N 0 0 347.418 3.840 10 30 EHEERN C[C@@H](C#N)Oc1ccc(CNc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000187469022 1035827850 /nfs/dbraw/zinc/82/78/50/1035827850.db2.gz HYYHGAMQFCQACB-ZDUSSCGKSA-N 0 0 336.395 3.567 10 30 EHEERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1ccc(C2(C#N)CC2)cc1 ZINC000190647955 1036271400 /nfs/dbraw/zinc/27/14/00/1036271400.db2.gz OZFUFFIITXPJHW-SFHVURJKSA-N 0 0 332.403 3.804 10 30 EHEERN Cc1csc([C@@H](C#N)C(=O)c2ccc(-n3cccc3)c(F)c2)n1 ZINC000103795919 1036963127 /nfs/dbraw/zinc/96/31/27/1036963127.db2.gz VOCSXMBEAACCFD-ZDUSSCGKSA-N 0 0 325.368 3.871 10 30 EHEERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3sccc3C#N)C2)cc1 ZINC000122332469 1037527616 /nfs/dbraw/zinc/52/76/16/1037527616.db2.gz BPQHIPZPGDFGAZ-DOMZBBRYSA-N 0 0 326.421 3.647 10 30 EHEERN CSc1c(F)cccc1C(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000408412346 1039724705 /nfs/dbraw/zinc/72/47/05/1039724705.db2.gz ADRJHODIGHGUBZ-YJBOKZPZSA-N 0 0 348.443 3.615 10 30 EHEERN Cc1c(NC(=O)N2CC[C@H]3CCC[C@H]32)cccc1C(=O)N1CCCC1 ZINC000330233875 1039836290 /nfs/dbraw/zinc/83/62/90/1039836290.db2.gz GEIXIHJQKVADCA-CRAIPNDOSA-N 0 0 341.455 3.651 10 30 EHEERN N#C[C@]1(NC(=O)C/C=C\c2ccc(F)cc2)CCc2ccccc2C1 ZINC000588490788 1040689095 /nfs/dbraw/zinc/68/90/95/1040689095.db2.gz XTZYAEOQQSMSMF-YOXWTLATSA-N 0 0 334.394 3.796 10 30 EHEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000408164108 1041998806 /nfs/dbraw/zinc/99/88/06/1041998806.db2.gz GMRQVDKXTPHTQN-DZGCQCFKSA-N 0 0 341.411 3.932 10 30 EHEERN O=C(NCc1ccc(C2CCC2)cc1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330251860 1042563185 /nfs/dbraw/zinc/56/31/85/1042563185.db2.gz HZTCLFSDYHNCQT-TZIWHRDSSA-N 0 0 342.483 3.995 10 30 EHEERN O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N1CC[C@H]2CCC[C@@H]21 ZINC000330263865 1042703064 /nfs/dbraw/zinc/70/30/64/1042703064.db2.gz XCZFPNRGWIDNMM-KMFMINBZSA-N 0 0 348.418 3.803 10 30 EHEERN N#Cc1ccc2nc(N3CCC(Cc4ccccn4)CC3)ccc2c1 ZINC000193566608 1121430384 /nfs/dbraw/zinc/43/03/84/1121430384.db2.gz RFUZAJDICAHZPX-UHFFFAOYSA-N 0 0 328.419 3.961 10 30 EHEERN C#CC[C@@H](OC(=O)CCCOc1ccc(F)cc1)c1ccccn1 ZINC000105549542 1135953075 /nfs/dbraw/zinc/95/30/75/1135953075.db2.gz XIFPLXKRFUGLPO-GOSISDBHSA-N 0 0 327.355 3.688 10 30 EHEERN CCN1C(=O)/C(=C/c2ccco2)S/C1=N\c1ccc(C)cc1O ZINC000016904136 201981424 /nfs/dbraw/zinc/98/14/24/201981424.db2.gz SWPKBUYCFNERNK-YBKXKOAPSA-N 0 0 328.393 3.918 10 30 EHEERN CN(C)c1ccc(/C=N\OC(=O)c2ccccc2Br)cc1 ZINC000017282499 201988406 /nfs/dbraw/zinc/98/84/06/201988406.db2.gz YHBGXLGVFIOCBG-WQRHYEAKSA-N 0 0 347.212 3.706 10 30 EHEERN O=C1C=Cc2ccccc2C1=NNc1ccc(Br)cc1 ZINC000018036651 201992497 /nfs/dbraw/zinc/99/24/97/201992497.db2.gz OOQHGNPYDRUCHT-MNDPQUGUSA-N 0 0 327.181 3.861 10 30 EHEERN C=CCNC(=O)Cn1c2ccccc2nc1-c1ccc(Cl)cc1 ZINC000040307391 213290092 /nfs/dbraw/zinc/29/00/92/213290092.db2.gz CNFAKZRKNCOXQM-UHFFFAOYSA-N 0 0 325.799 3.659 10 30 EHEERN COc1cc([C@@H](C#N)NC2CCCCC2)cc(Br)c1O ZINC000037969367 202070554 /nfs/dbraw/zinc/07/05/54/202070554.db2.gz TWQHHKOFHOKVAE-CYBMUJFWSA-N 0 0 339.233 3.650 10 30 EHEERN CCCC1N=NC(=S)N1N=Cc1c(OC)ccc2ccccc21 ZINC000036253021 202319690 /nfs/dbraw/zinc/31/96/90/202319690.db2.gz FAIJMRAOWPBFEU-WQRHYEAKSA-N 0 0 326.425 3.563 10 30 EHEERN CC(C)n1c2ccccc2c2nnc(N=NCc3ccccc3O)nc21 ZINC000040827525 202464942 /nfs/dbraw/zinc/46/49/42/202464942.db2.gz RKIQFADOHUZPHW-RGVLZGJSSA-N 0 0 346.394 3.712 10 30 EHEERN COc1ccc([C@H](C)NC(=O)Nc2ccc(F)cc2C#N)cc1OC ZINC000097473170 201386058 /nfs/dbraw/zinc/38/60/58/201386058.db2.gz FFGPOQORKJQJRN-NSHDSACASA-N 0 0 343.358 3.597 10 30 EHEERN N#Cc1ccc(C=Cc2nc3cc(Br)cnc3[nH]2)cc1 ZINC000072176440 203182163 /nfs/dbraw/zinc/18/21/63/203182163.db2.gz FOWBLIFQJWEDCZ-AATRIKPKSA-N 0 0 325.169 3.762 10 30 EHEERN Cc1nc2c(s1)CCC[C@H]2CN(C)C([O-])=[NH+]c1cnccc1C ZINC000328624773 564137049 /nfs/dbraw/zinc/13/70/49/564137049.db2.gz KFFDDOPKGNDMJN-ZDUSSCGKSA-N 0 0 330.457 3.752 10 30 EHEERN C[C@@H](N[C@@H](c1nccn1C)c1cccc(F)c1)c1ccc(C#N)s1 ZINC000134719848 1015756522 /nfs/dbraw/zinc/75/65/22/1015756522.db2.gz QNBZRWQSBIGJCG-SJKOYZFVSA-N 0 0 340.427 3.933 10 30 EHEERN C[C@]1(NC(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)CCO[C@H]1C1CC1 ZINC000329754824 1032126694 /nfs/dbraw/zinc/12/66/94/1032126694.db2.gz LBYADFYHSHIZJW-YXWQFLTLSA-N 0 0 348.409 3.816 10 30 EHEERN O=C(NCC1(c2cccs2)CCCCC1)N1CCn2ccnc2C1 ZINC000329786166 1032329922 /nfs/dbraw/zinc/32/99/22/1032329922.db2.gz QMTUJQPSYPIOMI-UHFFFAOYSA-N 0 0 344.484 3.576 10 30 EHEERN CC(C)COc1ccc([C@H](C)NC(=O)N2CCC(C#N)CC2)cc1 ZINC000155459964 1017734362 /nfs/dbraw/zinc/73/43/62/1017734362.db2.gz JKNFYJBFDSCEBF-HNNXBMFYSA-N 0 0 329.444 3.728 10 30 EHEERN Cc1cc(C(=O)N[C@H](C)C[C@@H]2CCCO2)c2c(n1)onc2C(C)C ZINC000328711402 1019034375 /nfs/dbraw/zinc/03/43/75/1019034375.db2.gz RIVFHPYCJTZBJM-YPMHNXCESA-N 0 0 331.416 3.917 10 30 EHEERN Cc1cc(C(=O)N[C@H](C)C[C@H]2CCCO2)c2c(n1)onc2C(C)C ZINC000328711400 1019035152 /nfs/dbraw/zinc/03/51/52/1019035152.db2.gz RIVFHPYCJTZBJM-DGCLKSJQSA-N 0 0 331.416 3.917 10 30 EHEERN COc1ccc(O)cc1C(=O)/C=C\c1c(Cl)nc2ccccn21 ZINC000588409756 1020839058 /nfs/dbraw/zinc/83/90/58/1020839058.db2.gz XBOYOSZZNBTAII-SREVYHEPSA-N 0 0 328.755 3.598 10 30 EHEERN CCOc1cc2c(cc1/C=C\C(=O)OCC(C)(C)C#N)O[C@H](C)C2 ZINC000588418985 1021179307 /nfs/dbraw/zinc/17/93/07/1021179307.db2.gz HPZJPJXYFDKWLH-FMFIFOJESA-N 0 0 329.396 3.515 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1[C@H](C)C[C@@H]3CCCC[C@H]31)CCC2 ZINC000328659158 1022456837 /nfs/dbraw/zinc/45/68/37/1022456837.db2.gz SFABUNRKHMLPLU-LTIDMASMSA-N 0 0 330.476 3.636 10 30 EHEERN N#C[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)C[C@]12C(=O)Nc1ccccc12 ZINC000328677396 1022463666 /nfs/dbraw/zinc/46/36/66/1022463666.db2.gz LZJZEQUYTZXZAR-MMACOIQUSA-N 0 0 347.393 3.808 10 30 EHEERN COc1ccc2[nH]c(C(=O)N[C@@H]3CCC(=O)NC34CCC4)cc2c1 ZINC000328699008 1022470541 /nfs/dbraw/zinc/47/05/41/1022470541.db2.gz MAZJHRRCBYCIGP-OAHLLOKOSA-N 0 0 327.384 3.523 10 30 EHEERN C[C@H](NC(=O)C1CCCC1)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000328774355 1022485802 /nfs/dbraw/zinc/48/58/02/1022485802.db2.gz DYVSFKMCUPEDGN-GXTWGEPZSA-N 0 0 335.473 3.732 10 30 EHEERN CCCc1c(NC(=O)N2C[C@H]3CCC[C@@H]32)cnn1-c1cccc(F)c1 ZINC000329751308 1024177363 /nfs/dbraw/zinc/17/73/63/1024177363.db2.gz IUCAPNQPLZNMMY-DYVFJYSZSA-N 0 0 342.418 3.994 10 30 EHEERN C[C@@H]1CC(CNC(=O)NC[C@@H]2CCC3(CCCCC3)O2)C[C@@H](C)O1 ZINC000329782134 1024192497 /nfs/dbraw/zinc/19/24/97/1024192497.db2.gz NSRQOOLHQJILRZ-INMHGKMJSA-N 0 0 338.492 3.576 10 30 EHEERN CCn1ccnc1[C@@H]1CCCCN1C(=O)NCC1C[C@H](C)O[C@@H](C)C1 ZINC000329799115 1024198045 /nfs/dbraw/zinc/19/80/45/1024198045.db2.gz HEQQBESRVKKICT-ZOBUZTSGSA-N 0 0 348.491 3.548 10 30 EHEERN Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@@H]2C[C@H]2C2CCCCC2)cnn1C ZINC000329911977 1024247353 /nfs/dbraw/zinc/24/73/53/1024247353.db2.gz WQBKUUIGJAPBBS-ONIAQPFYSA-N 0 0 331.460 3.731 10 30 EHEERN O=C(Nc1cccc(OCc2cscn2)c1)N1C[C@H]2CCC[C@H]21 ZINC000329936727 1024256814 /nfs/dbraw/zinc/25/68/14/1024256814.db2.gz RRPLPBAWFWPPFZ-MLGOLLRUSA-N 0 0 329.425 3.752 10 30 EHEERN O=C(N[C@@H]1COc2ccc(Cl)cc21)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330059640 1024306270 /nfs/dbraw/zinc/30/62/70/1024306270.db2.gz LIKCVYSOMCREHY-YSVLISHTSA-N 0 0 344.798 3.903 10 30 EHEERN Cc1nc2ccc(NC(=O)[C@@H]3CCO[C@H]3c3ccnn3C)cc2s1 ZINC000330082909 1024312985 /nfs/dbraw/zinc/31/29/85/1024312985.db2.gz QIALMWCTBLCIOL-MLGOLLRUSA-N 0 0 342.424 3.704 10 30 EHEERN N#C[C@@H]1CN(C(=O)NC[C@H]2CCC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000330221108 1024359360 /nfs/dbraw/zinc/35/93/60/1024359360.db2.gz QVACSDDAEOWCRB-IMJJTQAJSA-N 0 0 333.382 3.575 10 30 EHEERN CC[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(OC)cc1 ZINC000185999802 1024361241 /nfs/dbraw/zinc/36/12/41/1024361241.db2.gz ABXUOBSOMPACSB-GOSISDBHSA-N 0 0 333.395 3.711 10 30 EHEERN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@H]1CCCc2sccc21 ZINC000329197904 1025659503 /nfs/dbraw/zinc/65/95/03/1025659503.db2.gz ULEHKQCBRJZFHO-DZKIICNBSA-N 0 0 345.468 3.871 10 30 EHEERN O=C(N[C@H]1CCCc2ccccc21)N1CCOc2cc(O)ccc2C1 ZINC000329381459 1025797768 /nfs/dbraw/zinc/79/77/68/1025797768.db2.gz QIHDPVCEBPDDII-SFHVURJKSA-N 0 0 338.407 3.578 10 30 EHEERN O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)N1C[C@H]2CCC[C@@H]21 ZINC000329473493 1025897678 /nfs/dbraw/zinc/89/76/78/1025897678.db2.gz OOQRCYNZZXTSNL-WBMJQRKESA-N 0 0 334.379 3.920 10 30 EHEERN Cc1nccn1C[C@H](C)CNC(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000329548256 1025982229 /nfs/dbraw/zinc/98/22/29/1025982229.db2.gz BDBOEIWBDPVWPI-LIVBEALHSA-N 0 0 339.439 3.525 10 30 EHEERN N#C[C@H]1CCC[C@H]1NCC(=O)N(c1ccccc1)C1CCCCC1 ZINC000333621029 1027149424 /nfs/dbraw/zinc/14/94/24/1027149424.db2.gz POFAUQFAHOXSNW-VQIMIIECSA-N 0 0 325.456 3.634 10 30 EHEERN C[C@H](NC(=O)c1cccc(SCC#N)c1)[C@H]1COc2ccccc21 ZINC000128614953 1027458166 /nfs/dbraw/zinc/45/81/66/1027458166.db2.gz HMMVUDDUPHBIEU-SUMWQHHRSA-N 0 0 338.432 3.597 10 30 EHEERN CC(C)(C#N)c1ccc(NC(=O)C[C@H]2c3ccccc3NC2=O)cc1 ZINC000195233977 1028578212 /nfs/dbraw/zinc/57/82/12/1028578212.db2.gz PJMTYWACUQTLLM-INIZCTEOSA-N 0 0 333.391 3.552 10 30 EHEERN CN(CCC#N)c1ccc(CN2CCO[C@@H](c3ccsc3)C2)cc1 ZINC000245722856 1029138944 /nfs/dbraw/zinc/13/89/44/1029138944.db2.gz IDMSTINYIFGOGD-LJQANCHMSA-N 0 0 341.480 3.671 10 30 EHEERN O=C(NC1CC1)[C@H]1CCCN1C(=O)c1cnc(-c2ccsc2)s1 ZINC000329227317 1030041425 /nfs/dbraw/zinc/04/14/25/1030041425.db2.gz BBFQNQZFFYKAKE-GFCCVEGCSA-N 0 0 347.465 3.595 10 30 EHEERN C=C[C@](C)(CCOC)C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@H]1C ZINC000188933512 1036014603 /nfs/dbraw/zinc/01/46/03/1036014603.db2.gz VACBJTJRICWEFJ-WRWLIDTKSA-N 0 0 331.456 3.628 10 30 EHEERN C=C[C@](C)(CCOC)C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000188933489 1036015390 /nfs/dbraw/zinc/01/53/90/1036015390.db2.gz VACBJTJRICWEFJ-RIFZZMRRSA-N 0 0 331.456 3.628 10 30 EHEERN N#CCc1ccc(NC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000102952356 1036810023 /nfs/dbraw/zinc/81/00/23/1036810023.db2.gz VEEZDZLUSMHVEX-KRWDZBQOSA-N 0 0 349.390 3.850 10 30 EHEERN N#CCc1ccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000102952355 1036810404 /nfs/dbraw/zinc/81/04/04/1036810404.db2.gz VEEZDZLUSMHVEX-QGZVFWFLSA-N 0 0 349.390 3.850 10 30 EHEERN Cc1c([C@H](C)Nc2cnn(-c3ncccc3C#N)c2)cnn1C(C)(C)C ZINC000191501095 1037151149 /nfs/dbraw/zinc/15/11/49/1037151149.db2.gz IZDZMYYZCSKBNA-ZDUSSCGKSA-N 0 0 349.442 3.572 10 30 EHEERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCOC3(CCOCC3)C2)cc1C ZINC000330214591 1038772141 /nfs/dbraw/zinc/77/21/41/1038772141.db2.gz GHJJZHIADORWCI-FUHWJXTLSA-N 0 0 346.471 3.596 10 30 EHEERN N#Cc1cnc2ccc(Cl)cc2c1N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000150999036 1039644550 /nfs/dbraw/zinc/64/45/50/1039644550.db2.gz LGKYZLCASGMHDQ-KUHUBIRLSA-N 0 0 341.842 3.891 10 30 EHEERN COc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000330235645 1040062408 /nfs/dbraw/zinc/06/24/08/1040062408.db2.gz UAYFEFHZSWLTRZ-YJBOKZPZSA-N 0 0 344.455 3.678 10 30 EHEERN N#C[C@H]1CCC[C@@H]1NC(=O)NC1(c2ccc(F)cc2F)CCCC1 ZINC000332907407 1040187890 /nfs/dbraw/zinc/18/78/90/1040187890.db2.gz UGKUWPWDSDRPRH-WBMJQRKESA-N 0 0 333.382 3.726 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1cc2c(cc1Br)CCC2 ZINC000408443386 1040775069 /nfs/dbraw/zinc/77/50/69/1040775069.db2.gz PFHAWFAOHYVPOZ-JSGCOSHPSA-N 0 0 348.244 3.752 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000408164111 1041999757 /nfs/dbraw/zinc/99/97/57/1041999757.db2.gz GMRQVDKXTPHTQN-ZFWWWQNUSA-N 0 0 341.411 3.932 10 30 EHEERN Cc1cc(C)c(NC(=O)N[C@@H]2CCC[C@H]2C#N)cc1Br ZINC000408356719 1043659662 /nfs/dbraw/zinc/65/96/62/1043659662.db2.gz RSVIYTIWZCLKJP-WCQYABFASA-N 0 0 336.233 3.880 10 30 EHEERN C#Cc1cccc(N(C)C(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)c1 ZINC000103031221 1132610123 /nfs/dbraw/zinc/61/01/23/1132610123.db2.gz WBKFTDNDRAVGOU-IFXJQAMLSA-N 0 0 332.403 3.539 10 30 EHEERN CCCN(CCC)C(=O)c1cccc(C(=O)NC2(C#N)CCCC2)c1 ZINC000103189260 1137875428 /nfs/dbraw/zinc/87/54/28/1137875428.db2.gz QRAQCIBGRUUBBR-UHFFFAOYSA-N 0 0 341.455 3.515 10 30 EHEERN N#CC1(CNC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CCC1 ZINC000333530270 1138301212 /nfs/dbraw/zinc/30/12/12/1138301212.db2.gz MBZAANKXLDXVBM-INIZCTEOSA-N 0 0 339.439 3.816 10 30 EHEERN C=CCNc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] ZINC000040598981 213357835 /nfs/dbraw/zinc/35/78/35/213357835.db2.gz AXGIFGKEDQXIGR-UHFFFAOYSA-N 0 0 339.277 3.745 10 30 EHEERN CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@]12CC[C@@]1(COC(=O)C1)O2 ZINC000252506446 290999580 /nfs/dbraw/zinc/99/95/80/290999580.db2.gz SXOVHHHRXOYVGV-MDNKFWRPSA-N 0 0 332.440 3.583 10 30 biogenic EHEERN CCC(=O)Oc1ccc2c(c1)O/C(=C\c1cccc([N+](=O)[O-])c1)C2=O ZINC000033811673 202269819 /nfs/dbraw/zinc/26/98/19/202269819.db2.gz VOOHNLJFMYVLGY-SXGWCWSVSA-N 0 0 339.303 3.526 10 30 EHEERN CCN(C(=O)c1ccccc1)C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000005432526 201650609 /nfs/dbraw/zinc/65/06/09/201650609.db2.gz HYXDQONUKTYJDK-UHFFFAOYSA-N 0 0 339.778 3.678 10 30 EHEERN Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C=[NH+]C1CCCCC1 ZINC000104029581 204093437 /nfs/dbraw/zinc/09/34/37/204093437.db2.gz MGZWFXLVNNVQAF-YBFXNURJSA-N 0 0 340.452 3.835 10 30 EHEERN N#Cc1cn2c(nc3ccccc32)nc1NC(=O)c1ccc(Cl)cc1 ZINC000034224320 564129164 /nfs/dbraw/zinc/12/91/64/564129164.db2.gz PSSYWKBEZFAQLT-UHFFFAOYSA-N 0 0 347.765 3.660 10 30 EHEERN C=C(C)CC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685959276 564177081 /nfs/dbraw/zinc/17/70/81/564177081.db2.gz QCVZKTVPCFBCAU-QGZVFWFLSA-N 0 0 346.471 3.547 10 30 EHEERN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328680281 1018190419 /nfs/dbraw/zinc/19/04/19/1018190419.db2.gz BXNOJRCHHSUJNS-GHMZBOCLSA-N 0 0 347.381 3.605 10 30 EHEERN O=C(NCCOC1CCCCC1)N1CCC(c2nccs2)CC1 ZINC000328785292 1020909473 /nfs/dbraw/zinc/90/94/73/1020909473.db2.gz WAULADAHUHFVJH-UHFFFAOYSA-N 0 0 337.489 3.586 10 30 EHEERN C[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)[C@H]1C ZINC000328718862 1022461539 /nfs/dbraw/zinc/46/15/39/1022461539.db2.gz PZXGJUWTJKNHCB-PSOLEGPJSA-N 0 0 331.460 3.630 10 30 EHEERN CCS[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328726863 1022488245 /nfs/dbraw/zinc/48/82/45/1022488245.db2.gz ZXNPSJHESGBMLC-BFHYXJOUSA-N 0 0 339.505 3.596 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H](C)c1cccc(C)c1C)CCC2 ZINC000328728283 1022488705 /nfs/dbraw/zinc/48/87/05/1022488705.db2.gz VMUGZZSXAVNKFO-IRXDYDNUSA-N 0 0 340.471 3.951 10 30 EHEERN CC(C)c1ccc2c(c1)[C@@H](NC(=O)N(C)[C@@H]1CCNC1=O)CCC2 ZINC000328914213 1022543378 /nfs/dbraw/zinc/54/33/78/1022543378.db2.gz ITFUCRQGDSTFOB-DLBZAZTESA-N 0 0 329.444 3.762 10 30 EHEERN O=C(NC[C@@H]1CCCCO1)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000330089234 1024315333 /nfs/dbraw/zinc/31/53/33/1024315333.db2.gz VPNITSLOWZTZGL-RDJZCZTQSA-N 0 0 344.455 3.896 10 30 EHEERN N#C[C@@H]1CN(C(=O)N[C@H]2CCc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000330201726 1024352010 /nfs/dbraw/zinc/35/20/10/1024352010.db2.gz YGGAZJFAPVGQEZ-HKBOAZHASA-N 0 0 345.446 3.697 10 30 EHEERN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)[C@@]1(C)CCCNC1=O ZINC000330317650 1024702337 /nfs/dbraw/zinc/70/23/37/1024702337.db2.gz QLFTWXRKCKACSP-KUHUBIRLSA-N 0 0 330.428 3.828 10 30 EHEERN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329052045 1025582219 /nfs/dbraw/zinc/58/22/19/1025582219.db2.gz WTLUSPKWFFUYSG-CWIFOLKKSA-N 0 0 331.460 3.813 10 30 EHEERN CC1(C)CN(C(=O)NC[C@@H]2CCCn3ccnc32)[C@H]1c1cccs1 ZINC000329283873 1025720097 /nfs/dbraw/zinc/72/00/97/1025720097.db2.gz NOJUTWHIPWNBHY-ZFWWWQNUSA-N 0 0 344.484 3.819 10 30 EHEERN O=C(Nc1ncc(C2CCCCC2)s1)N1CCc2cncnc2C1 ZINC000329326946 1025756587 /nfs/dbraw/zinc/75/65/87/1025756587.db2.gz JRDSAIPNFUSXHA-UHFFFAOYSA-N 0 0 343.456 3.585 10 30 EHEERN Cc1ccc2c(c1)OCCC[C@H]2Nc1cnn(-c2ncccc2C#N)c1 ZINC000186020264 1026118659 /nfs/dbraw/zinc/11/86/59/1026118659.db2.gz ULYUJMKHBCYRCT-GOSISDBHSA-N 0 0 345.406 3.773 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000333571561 1027710045 /nfs/dbraw/zinc/71/00/45/1027710045.db2.gz IRPGUWWOWMXDAJ-WTTBNOFXSA-N 0 0 331.847 3.968 10 30 EHEERN C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000248534527 1028885267 /nfs/dbraw/zinc/88/52/67/1028885267.db2.gz GEWCYYVUWPZXJG-ZVGUJKQYSA-N 0 0 332.403 3.820 10 30 EHEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000329354810 1030499746 /nfs/dbraw/zinc/49/97/46/1030499746.db2.gz VPIUYGIXOSDPJR-VVLHAWIVSA-N 0 0 331.460 3.671 10 30 EHEERN O=C(Nc1cnc2c(c1)CCCC2)N[C@@H]1CCN(c2ccccc2)C1 ZINC000329486982 1030905316 /nfs/dbraw/zinc/90/53/16/1030905316.db2.gz XSBZTJJAKVCKES-MRXNPFEDSA-N 0 0 336.439 3.565 10 30 EHEERN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCC(Cn2cccn2)CC1 ZINC000329863343 1033499014 /nfs/dbraw/zinc/49/90/14/1033499014.db2.gz ZBHROAGWQHVSRF-IPMKNSEASA-N 0 0 344.503 3.868 10 30 EHEERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccc(F)c3C#N)C2)cc1 ZINC000188155940 1033878898 /nfs/dbraw/zinc/87/88/98/1033878898.db2.gz ZGAZQMOKJDCAIG-HIFRSBDPSA-N 0 0 338.382 3.724 10 30 EHEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cccc(F)c1F ZINC000102244959 1034451268 /nfs/dbraw/zinc/45/12/68/1034451268.db2.gz KXYVPVRQPMYTSK-UHFFFAOYSA-N 0 0 332.306 3.701 10 30 EHEERN C=CC[C@H](C(=O)N1CCC(Nc2nccs2)CC1)c1ccccc1 ZINC000190438012 1036241691 /nfs/dbraw/zinc/24/16/91/1036241691.db2.gz PZGYYGGIVIAEQF-KRWDZBQOSA-N 0 0 341.480 3.906 10 30 EHEERN COc1ccc(OC)c(NCc2cn(C)nc2-c2ccc(C#N)cc2)c1 ZINC000180323703 1036670957 /nfs/dbraw/zinc/67/09/57/1036670957.db2.gz XVGXUUMGBSINJF-UHFFFAOYSA-N 0 0 348.406 3.588 10 30 EHEERN Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@@H](C)c1ccccc1C ZINC000330274155 1042776527 /nfs/dbraw/zinc/77/65/27/1042776527.db2.gz JRAKKLHNLYILCQ-ZDUSSCGKSA-N 0 0 337.427 3.597 10 30 EHEERN Cc1cnc([C@H](C)NC(=O)N2CCC(c3ncc(C)s3)CC2)o1 ZINC000330331098 1042906118 /nfs/dbraw/zinc/90/61/18/1042906118.db2.gz NVUSNSOAEICDJY-LBPRGKRZSA-N 0 0 334.445 3.603 10 30 EHEERN C#Cc1cccc(N(CC)C(=O)c2cc(C)n(-c3ccccc3)n2)c1 ZINC000103027437 1132607084 /nfs/dbraw/zinc/60/70/84/1132607084.db2.gz WYOVKZQIBQXVKP-UHFFFAOYSA-N 0 0 329.403 3.829 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(F)c(C#N)c2)cs1 ZINC000188874126 1140311584 /nfs/dbraw/zinc/31/15/84/1140311584.db2.gz TZONZXPHMAAPPA-HNNXBMFYSA-N 0 0 330.388 3.831 10 30 EHEERN N#Cc1cccc(CNc2ccc(I)cc2)c1 ZINC000020360993 202039414 /nfs/dbraw/zinc/03/94/14/202039414.db2.gz LHTLPCFXIJALNF-UHFFFAOYSA-N 0 0 334.160 3.775 10 30 EHEERN COc1ccc(/C=C\C(=O)c2ccc(C#CC(C)(C)O)s2)cc1 ZINC000032286073 202223256 /nfs/dbraw/zinc/22/32/56/202223256.db2.gz UMZPMYMOXIMCOM-POHAHGRESA-N 0 0 326.417 3.775 10 30 EHEERN CCOc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)c(OCC)c1 ZINC000033286289 202255046 /nfs/dbraw/zinc/25/50/46/202255046.db2.gz FDPKUOHTXRHFNL-ATVHPVEESA-N 0 0 337.375 3.829 10 30 EHEERN C=CCNC(SCc1ccccc1)=C1C(=O)CC(C)(C)CC1=O ZINC000040570335 202453672 /nfs/dbraw/zinc/45/36/72/202453672.db2.gz SYJZAZGKCSEATN-UHFFFAOYSA-N 0 0 329.465 3.865 10 30 EHEERN CCCCCCCCn1c(CNC(=O)COC)nc2ccccc21 ZINC000102216452 204035213 /nfs/dbraw/zinc/03/52/13/204035213.db2.gz QEZBSLJPQVIVTA-UHFFFAOYSA-N 0 0 331.460 3.659 10 30 EHEERN Cc1nn(C)c(Oc2ccc(Br)cc2Cl)c1C#N ZINC000104317938 204104944 /nfs/dbraw/zinc/10/49/44/204104944.db2.gz ASHVHYATCGCVGP-UHFFFAOYSA-N 0 0 326.581 3.808 10 30 EHEERN CCCn1c2ccccc2c2nnc(N=NCc3ccc(O)cc3)nc21 ZINC000064981256 517623352 /nfs/dbraw/zinc/62/33/52/517623352.db2.gz CYYNPWMPHBBZJM-UDWIEESQSA-N 0 0 346.394 3.541 10 30 EHEERN CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C ZINC000004742473 560199810 /nfs/dbraw/zinc/19/98/10/560199810.db2.gz YPUQOVRDUFZIKX-CQMXKPHISA-N 0 0 346.442 3.851 10 30 in-vitro EHEERN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@]12C ZINC000261492171 564056161 /nfs/dbraw/zinc/05/61/61/564056161.db2.gz SKEGQFZZUKYRKV-BWYHRPDPSA-N 0 0 330.468 3.550 10 30 EHEERN CC1=C(C)C2=CC(=O)c3c(O)c4c(c(O)c3[C@@]2(C)CC1)O[C@@H](C)C4 ZINC000004098464 564117369 /nfs/dbraw/zinc/11/73/69/564117369.db2.gz IQGPVLVWUUPQMQ-FVINQWEUSA-N 0 0 326.392 3.932 10 30 biogenic,in-vitro EHEERN Cc1ccc(CNC(=O)[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)s1 ZINC000328610890 564136902 /nfs/dbraw/zinc/13/69/02/564136902.db2.gz JNGBUZYWWUPEIK-HOCLYGCPSA-N 0 0 333.457 3.641 10 30 EHEERN N#C[C@@H]1CCC[C@H]1NC(=O)C1(c2cncc(Br)c2)CC1 ZINC000328675007 1017930808 /nfs/dbraw/zinc/93/08/08/1017930808.db2.gz QLCNBFNNSWORLU-GXFFZTMASA-N 0 0 334.217 3.524 10 30 EHEERN C[C@@]12CN(C(=O)c3cc(-c4cccc(C#N)c4)no3)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000333307263 1019078467 /nfs/dbraw/zinc/07/84/67/1019078467.db2.gz DAAMMCQPKOUGJZ-GAYYXQCQSA-N 0 0 347.418 3.721 10 30 EHEERN O=C(N[C@H](CC1CCCC1)c1ccccc1)N[C@@H]1CCCNC1=O ZINC000328729001 1019329007 /nfs/dbraw/zinc/32/90/07/1019329007.db2.gz VVIFTDQGDIVWPS-IAGOWNOFSA-N 0 0 329.444 3.931 10 30 EHEERN C=CCc1cc(/C=C\C(=O)c2cc(O)ccc2OC)cc(OC)c1O ZINC000588409770 1020838730 /nfs/dbraw/zinc/83/87/30/1020838730.db2.gz ZACOIOVSCIZZBT-VURMDHGXSA-N 0 0 340.375 3.740 10 30 EHEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@]1(C#N)CCC[C@H](C)C1 ZINC000588441047 1022461235 /nfs/dbraw/zinc/46/12/35/1022461235.db2.gz MNDAQMCAKSRONK-PHBGWUEDSA-N 0 0 327.384 3.587 10 30 EHEERN CC(C)(C)c1csc(NC(=O)N[C@H]2CCC(=O)NC23CCC3)n1 ZINC000328752987 1022480876 /nfs/dbraw/zinc/48/08/76/1022480876.db2.gz RTBUBKPYDRWUST-JTQLQIEISA-N 0 0 336.461 3.808 10 30 EHEERN Cc1cnc([C@H](C)NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)s1 ZINC000328938921 1022536125 /nfs/dbraw/zinc/53/61/25/1022536125.db2.gz GXPICWVRXLVPIT-KWCYVHTRSA-N 0 0 330.457 3.637 10 30 EHEERN Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3C[C@@H]3C3CCCCC3)C2)nn1 ZINC000329646843 1023976178 /nfs/dbraw/zinc/97/61/78/1023976178.db2.gz DRYPBZJWDNIADB-RCCFBDPRSA-N 0 0 342.487 3.927 10 30 EHEERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1CC[C@@H](n2cccn2)C1 ZINC000329805832 1024203162 /nfs/dbraw/zinc/20/31/62/1024203162.db2.gz KXMREQXHUHWWCD-AEFFLSMTSA-N 0 0 338.455 3.758 10 30 EHEERN O=C(C[C@@H]1CCCCC(=O)N1)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000329841706 1024219602 /nfs/dbraw/zinc/21/96/02/1024219602.db2.gz OQOKWRZTNLHGPV-HOTGVXAUSA-N 0 0 329.444 3.759 10 30 EHEERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000329869554 1024228968 /nfs/dbraw/zinc/22/89/68/1024228968.db2.gz YZIYTQPARAKFSI-HUUJSLGLSA-N 0 0 338.451 3.552 10 30 EHEERN Cn1nccc1N1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 ZINC000329949085 1024261659 /nfs/dbraw/zinc/26/16/59/1024261659.db2.gz LHUMBTHPQRRVKZ-MLHJIOFPSA-N 0 0 344.503 3.952 10 30 EHEERN CC[C@H](CC1CCCC1)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000329966541 1024269291 /nfs/dbraw/zinc/26/92/91/1024269291.db2.gz VACWOMJADUAGPH-SJORKVTESA-N 0 0 332.492 3.952 10 30 EHEERN CC(C)[C@H]1CC[C@H](C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)CC1 ZINC000330161150 1024338537 /nfs/dbraw/zinc/33/85/37/1024338537.db2.gz SSIMWHPVCPDCDA-SZXPJGKVSA-N 0 0 346.475 3.999 10 30 EHEERN CCCc1c(NC(=O)N2C[C@H]3CCC[C@H]32)cnn1-c1ccc(F)cc1 ZINC000330259823 1024376649 /nfs/dbraw/zinc/37/66/49/1024376649.db2.gz SHAGEOLGBCTVCG-CXAGYDPISA-N 0 0 342.418 3.994 10 30 EHEERN CCOc1ccc(NCc2cn(CCC#N)nc2-c2ccccc2)cn1 ZINC000120012843 1033214626 /nfs/dbraw/zinc/21/46/26/1033214626.db2.gz MEUQEYOBTCCYKC-UHFFFAOYSA-N 0 0 347.422 3.870 10 30 EHEERN Cc1sc(NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)c(C#N)c1C ZINC000329038042 1025576603 /nfs/dbraw/zinc/57/66/03/1025576603.db2.gz RVSOZAKFHSLUKL-IUODEOHRSA-N 0 0 344.440 3.726 10 30 EHEERN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@H]1CCC(F)(F)C1 ZINC000329134632 1025620800 /nfs/dbraw/zinc/62/08/00/1025620800.db2.gz ZTEPEKBISOVTRX-TUAOUCFPSA-N 0 0 341.358 3.559 10 30 EHEERN CN(CC1CCCCC1)C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329187106 1025651680 /nfs/dbraw/zinc/65/16/80/1025651680.db2.gz BBODKOCROPGKDW-INIZCTEOSA-N 0 0 346.519 3.922 10 30 EHEERN CO[C@H]1C[C@@H](N(C)C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000329270172 1025712332 /nfs/dbraw/zinc/71/23/32/1025712332.db2.gz HFTGGQGFHUORAF-UXLLHSPISA-N 0 0 344.455 3.846 10 30 EHEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@@H]1c1ccccc1 ZINC000329514382 1025944750 /nfs/dbraw/zinc/94/47/50/1025944750.db2.gz YFBVSAIECVENND-BFYDXBDKSA-N 0 0 329.444 3.881 10 30 EHEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1C#N ZINC000103141698 1026068781 /nfs/dbraw/zinc/06/87/81/1026068781.db2.gz MXUJXIRGTXHIBU-UHFFFAOYSA-N 0 0 325.343 3.794 10 30 EHEERN N#C[C@H]1CCC[C@H]1NCC(=O)N1c2ccccc2CCc2ccccc21 ZINC000333569826 1027701048 /nfs/dbraw/zinc/70/10/48/1027701048.db2.gz IIOBZLCQOXKJBV-RTBURBONSA-N 0 0 345.446 3.732 10 30 EHEERN N#Cc1ccc(N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)cn1 ZINC000091483345 1028049950 /nfs/dbraw/zinc/04/99/50/1028049950.db2.gz YJYYFLMGQYIDFB-MRXNPFEDSA-N 0 0 329.407 3.727 10 30 EHEERN CCOc1cc2c(cc1/C=C\C(=O)O[C@H](CC)CC#N)O[C@H](C)C2 ZINC000588558173 1028297570 /nfs/dbraw/zinc/29/75/70/1028297570.db2.gz PIBGVCVQUDMBND-NYGHPLDOSA-N 0 0 329.396 3.657 10 30 EHEERN COc1cc(C(=O)/C=C\c2ccc(N(C)C(C)C)nc2)ccc1F ZINC000588579624 1030194985 /nfs/dbraw/zinc/19/49/85/1030194985.db2.gz JXWOPEXERVHZSQ-UITAMQMPSA-N 0 0 328.387 3.970 10 30 EHEERN O=C(N[C@@H]1CCOc2ccccc21)N1CCO[C@@H](C2CCCCC2)C1 ZINC000329665310 1031682811 /nfs/dbraw/zinc/68/28/11/1031682811.db2.gz KJQRKEOBBOXLLP-IEBWSBKVSA-N 0 0 344.455 3.705 10 30 EHEERN CCc1nccn1[C@H]1CCCN(C(=O)NCCC2CCCCC2)C1 ZINC000329687376 1031799784 /nfs/dbraw/zinc/79/97/84/1031799784.db2.gz VESXSKFDHVUHIG-KRWDZBQOSA-N 0 0 332.492 3.967 10 30 EHEERN C[C@@H]1C[C@@H]1NC(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000329878375 1033641169 /nfs/dbraw/zinc/64/11/69/1033641169.db2.gz KQXBAFOTHKFWJU-XPKDYRNWSA-N 0 0 341.480 3.828 10 30 EHEERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccc(F)c3C#N)C2)cc1 ZINC000188155983 1033880502 /nfs/dbraw/zinc/88/05/02/1033880502.db2.gz ZGAZQMOKJDCAIG-UKRRQHHQSA-N 0 0 338.382 3.724 10 30 EHEERN C#CCC(C)(C)C(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000185558313 1035494332 /nfs/dbraw/zinc/49/43/32/1035494332.db2.gz JEWWHELPXQYYMG-QGZVFWFLSA-N 0 0 335.451 3.832 10 30 EHEERN C=CC[C@@H](C(=O)N1CCO[C@@H](c2ccc(C)o2)C1)c1ccccc1 ZINC000187219476 1035789424 /nfs/dbraw/zinc/78/94/24/1035789424.db2.gz AKYBSKIBWPVCCZ-IEBWSBKVSA-N 0 0 325.408 3.848 10 30 EHEERN CC(C)Oc1ccc(CC(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1 ZINC000189155895 1036024602 /nfs/dbraw/zinc/02/46/02/1036024602.db2.gz VSOYWYFLQDKJED-JOCHJYFZSA-N 0 0 348.446 3.584 10 30 EHEERN N#C[C@@H](C(=O)c1ccc(-n2cccc2)c(F)c1)c1nc2ccccc2[nH]1 ZINC000103796228 1036961858 /nfs/dbraw/zinc/96/18/58/1036961858.db2.gz NKMDBZHQJPVJGJ-AWEZNQCLSA-N 0 0 344.349 3.983 10 30 EHEERN Cc1c2cccc(Br)c2oc1C(=O)N1CCC(C#N)CC1 ZINC000408174489 1042117152 /nfs/dbraw/zinc/11/71/52/1042117152.db2.gz JVSHWDOVZVVBAH-UHFFFAOYSA-N 0 0 347.212 3.880 10 30 EHEERN Cc1nc(CN2CCC(CNc3ccc(F)cc3C#N)CC2)cs1 ZINC000301390949 1128589687 /nfs/dbraw/zinc/58/96/87/1128589687.db2.gz GSZROSOHIVEULV-UHFFFAOYSA-N 0 0 344.459 3.786 10 30 EHEERN N#C[C@H]1CC[C@@H](NC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000333436291 1138289894 /nfs/dbraw/zinc/28/98/94/1138289894.db2.gz VMPBSDACBBJUES-ZMSDIMECSA-N 0 0 339.439 3.814 10 30 EHEERN C=CCNc1ncnc(Sc2cccc3cccnc32)c1[N+](=O)[O-] ZINC000040599086 213357540 /nfs/dbraw/zinc/35/75/40/213357540.db2.gz BITOZSWZWLIHBS-UHFFFAOYSA-N 0 0 339.380 3.682 10 30 EHEERN O=C1c2ccc([O-])c(C[NH+]3CCCCC3)c2O/C1=C/c1ccccc1 ZINC000037857668 202371942 /nfs/dbraw/zinc/37/19/42/202371942.db2.gz KGKUOWSOZHXCPL-CPNJWEJPSA-N 0 0 335.403 3.994 10 30 EHEERN CC(C)c1ccc(NC(=S)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 ZINC000003272852 201563225 /nfs/dbraw/zinc/56/32/25/201563225.db2.gz UMAXXGNOBOVBDR-CXUHLZMHSA-N 0 0 332.385 3.632 10 30 EHEERN C/C(=N\O)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1 ZINC000019477023 212031132 /nfs/dbraw/zinc/03/11/32/212031132.db2.gz CHRRPVQCOOGSQJ-YBFXNURJSA-N 0 0 347.212 3.829 10 30 EHEERN C=CCc1cc(CCC)c(Cn2ccnc2-c2cccc(F)n2)nn1 ZINC000038493435 519130680 /nfs/dbraw/zinc/13/06/80/519130680.db2.gz YOFDRWHRGFDQGV-UHFFFAOYSA-N 0 0 337.402 3.604 10 30 EHEERN COc1cc(C(=O)O/N=C\c2ccc(F)c(Cl)c2)cc(Cl)n1 ZINC000033376724 522169628 /nfs/dbraw/zinc/16/96/28/522169628.db2.gz KONXPYRYPCAZAR-WSVATBPTSA-N 0 0 343.141 3.727 10 30 EHEERN N#CCCN/N=C(/Cc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 ZINC000006424109 526459714 /nfs/dbraw/zinc/45/97/14/526459714.db2.gz PMLHBPCYJUEIKM-ULJHMMPZSA-N 0 0 337.814 3.666 10 30 EHEERN O=C(/C(=N/N=C/c1ccc(O)c(O)c1)c1ccccc1)c1ccccc1 ZINC000012586291 527591129 /nfs/dbraw/zinc/59/11/29/527591129.db2.gz PTPHBFWUIVDPAV-DAEAJKMYSA-N 0 0 344.370 3.804 10 30 EHEERN CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@]34O[C@@H]4C[C@]12C ZINC000004096401 560194062 /nfs/dbraw/zinc/19/40/62/560194062.db2.gz FFMULFMLARAIRH-OUZKAEIWSA-N 0 0 328.452 3.855 10 30 in-vitro EHEERN O=[N+]([O-])c1ccc(N=NCc2cccc(O)c2)c(C(F)(F)F)c1 ZINC000005944396 563554985 /nfs/dbraw/zinc/55/49/85/563554985.db2.gz CJUMOQVZNWUAEX-QGMBQPNBSA-N 0 0 325.246 3.765 10 30 EHEERN CN(Cc1nccs1)[C@@H]1CC12CCN(c1ccc(C#N)cc1)CC2 ZINC000275638957 564009726 /nfs/dbraw/zinc/00/97/26/564009726.db2.gz KBUDOLBNEMKLKO-QGZVFWFLSA-N 0 0 338.480 3.506 10 30 EHEERN C/C(=N/O)c1ccc(NC=C2C=C(Br)C=CC2=O)cc1 ZINC000215766564 564130094 /nfs/dbraw/zinc/13/00/94/564130094.db2.gz WBTMKQPTOTUMHE-ZTFBWAHWSA-N 0 0 333.185 3.598 10 30 EHEERN CC(=O)N[C@H](c1nc(Cc2ccccc2Cl)no1)C1CCOCC1 ZINC000328623180 564136961 /nfs/dbraw/zinc/13/69/61/564136961.db2.gz IZTXUQOFDKMFOH-INIZCTEOSA-N 0 0 349.818 3.758 10 30 EHEERN C=C(COC(C)C)C(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960251 564177103 /nfs/dbraw/zinc/17/71/03/564177103.db2.gz AJJGWJQLSYGUNB-UHFFFAOYSA-N 0 0 347.455 3.974 10 30 EHEERN N#Cc1cccc(/C=C/C(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000189805913 1016727625 /nfs/dbraw/zinc/72/76/25/1016727625.db2.gz VJRFJUWXXAFRHF-CMDGGOBGSA-N 0 0 344.414 3.666 10 30 EHEERN O=C(NC1CC(c2cccc(Cl)c2)C1)N[C@@H]1CCCc2c[nH]nc21 ZINC000330154088 1018445472 /nfs/dbraw/zinc/44/54/72/1018445472.db2.gz NFDCABGBYFYNCF-AVVWSFFYSA-N 0 0 344.846 3.890 10 30 EHEERN Cc1noc2nc(C(C)C)cc(C(=O)N[C@H](C)C[C@@H]3CCCO3)c12 ZINC000328725032 1019286522 /nfs/dbraw/zinc/28/65/22/1019286522.db2.gz YXDOACLNAKEGRH-YPMHNXCESA-N 0 0 331.416 3.917 10 30 EHEERN COc1ccc(O)cc1C(=O)/C=C\c1cnn(Cc2ccccc2)c1 ZINC000588410371 1020855040 /nfs/dbraw/zinc/85/50/40/1020855040.db2.gz MKZDMYJYRSZPJM-CLFYSBASSA-N 0 0 334.375 3.542 10 30 EHEERN N#C[C@@H]1CN([C@H]2CCc3ccc(F)cc32)C[C@@]12C(=O)Nc1ccccc12 ZINC000328677398 1022464480 /nfs/dbraw/zinc/46/44/80/1022464480.db2.gz LZJZEQUYTZXZAR-XWRIVVANSA-N 0 0 347.393 3.808 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)C[C@@H]1OCCc3ccccc31)CCC2 ZINC000328773029 1022486345 /nfs/dbraw/zinc/48/63/45/1022486345.db2.gz HJONJKHLKULQJX-WMZOPIPTSA-N 0 0 339.439 3.730 10 30 EHEERN C[C@H](NC(=O)C[C@@H]1CCCCNC1=O)c1ccc2c(c1)OCCO2 ZINC000328855195 1022516879 /nfs/dbraw/zinc/51/68/79/1022516879.db2.gz JVRGWALDVKUDOE-JSGCOSHPSA-N 0 0 332.400 3.622 10 30 EHEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(CCC#N)CCC(C)C ZINC000588445401 1022538778 /nfs/dbraw/zinc/53/87/78/1022538778.db2.gz QQFMUMNBBSKIMI-SQFISAMPSA-N 0 0 329.400 3.786 10 30 EHEERN C[C@@H]1OCC[C@@H]1NC(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000328975217 1022998924 /nfs/dbraw/zinc/99/89/24/1022998924.db2.gz WCPBGIZAOGZNBZ-CABZTGNLSA-N 0 0 329.227 3.664 10 30 EHEERN CCn1cc(C2CCN(C(=O)N[C@H](C)c3csc(C)n3)CC2)cn1 ZINC000329836960 1033152319 /nfs/dbraw/zinc/15/23/19/1033152319.db2.gz LXZQOHVDIRXBOR-GFCCVEGCSA-N 0 0 347.488 3.523 10 30 EHEERN COc1ccccc1[C@@H](C)NC(=O)CN1NC(=O)CC12CCCCC2 ZINC000329665578 1024022563 /nfs/dbraw/zinc/02/25/63/1024022563.db2.gz KMJIOMDOPOBDMN-CQSZACIVSA-N 0 0 345.443 3.993 10 30 EHEERN C[C@@H]1CC(CNC(=O)NC2(Cc3cccc(F)c3)CCC2)C[C@@H](C)O1 ZINC000329802200 1024199737 /nfs/dbraw/zinc/19/97/37/1024199737.db2.gz KDWLQIXOVKUZNR-HUUCEWRRSA-N 0 0 348.462 3.998 10 30 EHEERN CC(=O)N[C@H](CC1CCC1)C(=O)NC[C@@H]1CCCn2cc(C)nc21 ZINC000329872051 1024230464 /nfs/dbraw/zinc/23/04/64/1024230464.db2.gz CUSZGQBZOVVRLM-JKSUJKDBSA-N 0 0 332.448 3.561 10 30 EHEERN COc1ccc2c(c1)[C@H](C(=O)NC[C@H]1CCCn3cc(C)nc31)CC2 ZINC000329886131 1024237524 /nfs/dbraw/zinc/23/75/24/1024237524.db2.gz VRJGTBZQXYSLDU-NVXWUHKLSA-N 0 0 339.439 3.764 10 30 EHEERN Cc1cc(C)n(-c2ccc(NC(=O)N3C[C@@H]4CCC[C@H]43)cc2F)n1 ZINC000329913059 1024247091 /nfs/dbraw/zinc/24/70/91/1024247091.db2.gz BNDUEONOJATIGY-XJKSGUPXSA-N 0 0 328.391 3.658 10 30 EHEERN CC(C)(C)c1ncc(NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)cn1 ZINC000330056124 1024303506 /nfs/dbraw/zinc/30/35/06/1024303506.db2.gz VJYOAAYEJUJCES-LSDHHAIUSA-N 0 0 326.400 3.535 10 30 EHEERN Cc1cc2c(cc1C)[C@H](C(=O)N1C[C@@H](c3ccccc3)[C@H](C#N)C1)CO2 ZINC000329220029 1025676564 /nfs/dbraw/zinc/67/65/64/1025676564.db2.gz AITVUBGMLDQJHS-YZGWKJHDSA-N 0 0 346.430 3.545 10 30 EHEERN Cc1ccn2c(c1)ncc(C(=O)NC[C@@H]1C[C@H]1C1CCCCC1)c2=O ZINC000329535022 1025968746 /nfs/dbraw/zinc/96/87/46/1025968746.db2.gz YZVWDMUWEIBBLO-HOTGVXAUSA-N 0 0 339.439 3.524 10 30 EHEERN C#CCCCCNC(=O)N1C[C@H](c2ccccc2Cl)OC[C@H]1C ZINC000155008995 1029398804 /nfs/dbraw/zinc/39/88/04/1029398804.db2.gz XFEFUSDROQHXGT-RHSMWYFYSA-N 0 0 334.847 3.615 10 30 EHEERN C[C@]1(NC(=O)NC2CCC(C(F)(F)F)CC2)CCO[C@@H]1C1CC1 ZINC000329722632 1031958768 /nfs/dbraw/zinc/95/87/68/1031958768.db2.gz CLAMLGGESGNKHC-SJQFEJMWSA-N 0 0 334.382 3.569 10 30 EHEERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000330338333 1042926809 /nfs/dbraw/zinc/92/68/09/1042926809.db2.gz VGLUTXYEXCJAIY-XJFOESAGSA-N 0 0 336.398 3.672 10 30 EHEERN C#Cc1cccc(N(CC)C(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)c1 ZINC000103027642 1132608415 /nfs/dbraw/zinc/60/84/15/1132608415.db2.gz YDPFORXEOHGIHX-QRWLVFNGSA-N 0 0 346.430 3.929 10 30 EHEERN CCCCC[NH+]=Cc1c(C)[n-]n(-c2nc3ccccc3s2)c1=O ZINC000018100865 201993445 /nfs/dbraw/zinc/99/34/45/201993445.db2.gz PMGPHCYOZIWIJD-WOJGMQOQSA-N 0 0 328.441 3.693 10 30 EHEERN FC(F)Oc1ccc(/C=N/OCC(F)(F)F)cc1OC(F)F ZINC000042750398 202500874 /nfs/dbraw/zinc/50/08/74/202500874.db2.gz BPCSERMAXGTROJ-RMOCHZDMSA-N 0 0 335.175 3.802 10 30 EHEERN O=C1C=C(OCc2ccccc2)C(=O)c2ccc(Br)cc21 ZINC000001593879 201512358 /nfs/dbraw/zinc/51/23/58/201512358.db2.gz CUGNOMQYJNAUOG-UHFFFAOYSA-N 0 0 343.176 3.929 10 30 EHEERN Cc1cc(C#N)cc(C)c1Oc1ncnc(Nc2ccc(C#N)cc2)n1 ZINC000005930720 201667772 /nfs/dbraw/zinc/66/77/72/201667772.db2.gz LKZLTYJYIKHOJY-UHFFFAOYSA-N 0 0 342.362 3.768 10 30 EHEERN Cc1ccc(S(=O)(=O)/N=C\c2c(O)ccc3ccccc23)cc1 ZINC000102705570 204047833 /nfs/dbraw/zinc/04/78/33/204047833.db2.gz WCYGPLQLYOSVIH-UNOMPAQXSA-N 0 0 325.389 3.662 10 30 EHEERN C=C[C@](C)(C/C=C/C(=O)OCC)C[C@@H](O)COCc1ccccc1 ZINC000022005317 519302321 /nfs/dbraw/zinc/30/23/21/519302321.db2.gz AXEBYLQYSIQEJD-IEYVCLCVSA-N 0 0 332.440 3.656 10 30 EHEERN CCOC(=O)C1CCN(/C=C\C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000035678873 520555314 /nfs/dbraw/zinc/55/53/14/520555314.db2.gz YPWSPPDBAOFPKE-YVMONPNESA-N 0 0 345.483 3.561 10 30 EHEERN COc1ccc(-c2csc(N=NCc3ccccc3OC)n2)cc1 ZINC000033932137 523159957 /nfs/dbraw/zinc/15/99/57/523159957.db2.gz SFOHTNMZXONMCG-ODLFYWEKSA-N 0 0 339.420 3.695 10 30 EHEERN O=[N+]([O-])c1ccc(C=NNc2nnc(SC3CCCCC3)[nH]2)cc1 ZINC000020457375 527345709 /nfs/dbraw/zinc/34/57/09/527345709.db2.gz DYVZHGABYWWJCH-MHWRWJLKSA-N 0 0 346.416 3.584 10 30 EHEERN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@H](O)C=O ZINC000004096319 560193936 /nfs/dbraw/zinc/19/39/36/560193936.db2.gz HIXLXYQKUSOMDM-WYLBFHJUSA-N 0 0 330.468 3.694 10 30 in-vitro EHEERN CC(=O)[C@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118920474 563929962 /nfs/dbraw/zinc/92/99/62/563929962.db2.gz JBVNBBXAMBZTMQ-SJFWLOONSA-N 0 0 328.452 3.614 10 30 EHEERN Cc1cc(-c2ncccc2NC(=O)N[C@H]2CCC[C@@H]2C#N)cs1 ZINC000333725182 564060089 /nfs/dbraw/zinc/06/00/89/564060089.db2.gz OPPOYGUHYMEFEG-OCCSQVGLSA-N 0 0 326.425 3.932 10 30 EHEERN O=C(NC[C@@H]1CCCn2ccnc21)N1CCC[C@@H]1c1cccs1 ZINC000328623063 1022452074 /nfs/dbraw/zinc/45/20/74/1022452074.db2.gz YQGQEBYSFVTSEW-UONOGXRCSA-N 0 0 330.457 3.573 10 30 EHEERN O=C(NC1CCC1)[C@H]1CCO[C@@H]1c1ccnn1-c1ccc(F)cc1 ZINC000328703368 1022471688 /nfs/dbraw/zinc/47/16/88/1022471688.db2.gz KCWSRFSHYVZVQM-RDJZCZTQSA-N 0 0 329.375 3.598 10 30 EHEERN C[C@H](C(=O)Nc1ccccc1Cl)N1CCC[C@@H](n2cccn2)C1 ZINC000328707247 1022472707 /nfs/dbraw/zinc/47/27/07/1022472707.db2.gz PXNXWCOIAYNMHV-ZIAGYGMSSA-N 0 0 332.835 3.850 10 30 EHEERN C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@H](n2cccn2)C1 ZINC000328726475 1022488214 /nfs/dbraw/zinc/48/82/14/1022488214.db2.gz ZQOLYIAFTLNYSN-BBRMVZONSA-N 0 0 332.835 3.850 10 30 EHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCC[C@@H]1C1CCCCC1 ZINC000328730005 1022488651 /nfs/dbraw/zinc/48/86/51/1022488651.db2.gz FVYOPWHGECGVSG-HZPDHXFCSA-N 0 0 333.476 3.987 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000328920177 1022545607 /nfs/dbraw/zinc/54/56/07/1022545607.db2.gz BUINUMFTYKJAOZ-LISAXSMJSA-N 0 0 331.460 3.671 10 30 EHEERN C=CCCCCCN(C)C(=O)C[C@@H]1Sc2ccccc2NC1=O ZINC000128727626 1023039822 /nfs/dbraw/zinc/03/98/22/1023039822.db2.gz HPODOVYVSQMGIU-INIZCTEOSA-N 0 0 332.469 3.694 10 30 EHEERN O=C(Nc1ccnc(Sc2ccccn2)c1)N1C[C@H]2CCC[C@H]21 ZINC000329939769 1024259268 /nfs/dbraw/zinc/25/92/68/1024259268.db2.gz UAZSZLKYGJHRSV-TZMCWYRMSA-N 0 0 326.425 3.658 10 30 EHEERN C[C@@H]1CCC[C@@H](CC(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)C1 ZINC000329991069 1024278989 /nfs/dbraw/zinc/27/89/89/1024278989.db2.gz WPPKHECZRQCGEK-WCVJEAGWSA-N 0 0 334.439 3.566 10 30 EHEERN CCO[C@@H]1C[C@@H](NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)C12CCCC2 ZINC000330054633 1024302611 /nfs/dbraw/zinc/30/26/11/1024302611.db2.gz SHNAPPBSOVVUHI-BSDSXHPESA-N 0 0 344.455 3.854 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@H](C)CC1CCCCC1)CCC2 ZINC000330269388 1024378070 /nfs/dbraw/zinc/37/80/70/1024378070.db2.gz RZCHYOZJBZBUMJ-PBHICJAKSA-N 0 0 332.492 3.931 10 30 EHEERN C[C@H](NC(=O)[C@]1(C)CCCNC1=O)c1nc(C2CCCCC2)no1 ZINC000330312723 1024680830 /nfs/dbraw/zinc/68/08/30/1024680830.db2.gz OLMJDUWZMXCULL-APPDUMDISA-N 0 0 334.420 3.891 10 30 EHEERN C[C@@H](C(=O)NC1CCC(C)CC1)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329049109 1025578414 /nfs/dbraw/zinc/57/84/14/1025578414.db2.gz QRCYKYGPCSOGCR-AYDDYBHNSA-N 0 0 346.475 3.660 10 30 EHEERN Cc1ccccc1NC(=O)[C@@H](C)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329068944 1025586300 /nfs/dbraw/zinc/58/63/00/1025586300.db2.gz XWZGGIMFPGLVTN-HIFRSBDPSA-N 0 0 340.427 3.721 10 30 EHEERN O=C(N[C@@H]1CCCc2c[nH]nc21)N[C@@H]1CCCc2cc(F)ccc21 ZINC000329088175 1025595492 /nfs/dbraw/zinc/59/54/92/1025595492.db2.gz VLKASTCDXORKTK-HZPDHXFCSA-N 0 0 328.391 3.507 10 30 EHEERN COc1ccccc1[C@H]1C[C@@H](C)CCN1C(=O)N[C@@H]1CCO[C@@H](C)C1 ZINC000329248820 1025695162 /nfs/dbraw/zinc/69/51/62/1025695162.db2.gz ALYZBDVBTURSGG-LISAXSMJSA-N 0 0 346.471 3.950 10 30 EHEERN CCn1cc(-c2n[nH]cc2C(=O)NC[C@@H]2C[C@H]2C2CCCCC2)cn1 ZINC000329266694 1025704477 /nfs/dbraw/zinc/70/44/77/1025704477.db2.gz CXHVBQQQGISHKH-HOCLYGCPSA-N 0 0 341.459 3.814 10 30 EHEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)NCC1CCCCC1)C2 ZINC000329285373 1025723037 /nfs/dbraw/zinc/72/30/37/1025723037.db2.gz OVZBLYHMYALXRT-OAHLLOKOSA-N 0 0 332.492 3.579 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCc3cc(Cl)ccc32)no1 ZINC000329350026 1025770564 /nfs/dbraw/zinc/77/05/64/1025770564.db2.gz DDPYETODGPGEFM-CABCVRRESA-N 0 0 346.818 3.770 10 30 EHEERN O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329425521 1025830258 /nfs/dbraw/zinc/83/02/58/1025830258.db2.gz GHWIIYLAZCYGGK-OAGGEKHMSA-N 0 0 347.846 3.756 10 30 EHEERN Cc1ccccc1[C@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)C(C)C ZINC000329475900 1025898255 /nfs/dbraw/zinc/89/82/55/1025898255.db2.gz TXCOHIMEWZIUBM-BRWVUGGUSA-N 0 0 329.444 3.657 10 30 EHEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(F)c(F)c1 ZINC000186011453 1025945353 /nfs/dbraw/zinc/94/53/53/1025945353.db2.gz FSNILVYZMJQKBQ-LLVKDONJSA-N 0 0 325.322 3.590 10 30 EHEERN Cc1nccn1C[C@H](C)CNC(=O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329548255 1025982193 /nfs/dbraw/zinc/98/21/93/1025982193.db2.gz BDBOEIWBDPVWPI-CFLQYTFWSA-N 0 0 339.439 3.525 10 30 EHEERN CC[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(N(C)C)cc1 ZINC000186014628 1026096743 /nfs/dbraw/zinc/09/67/43/1026096743.db2.gz JRZUHWFXZFFEER-IBGZPJMESA-N 0 0 346.438 3.768 10 30 EHEERN COc1ccc(/C=C/C(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 ZINC000102201030 1027244370 /nfs/dbraw/zinc/24/43/70/1027244370.db2.gz SRLJUDAMWNWZNV-UXBLZVDNSA-N 0 0 325.364 3.558 10 30 EHEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@@H]1c1ccco1 ZINC000130184531 1027643926 /nfs/dbraw/zinc/64/39/26/1027643926.db2.gz VNFHNNQVFMGYBI-HOTGVXAUSA-N 0 0 326.352 3.506 10 30 EHEERN C[C@@H]1CCCC[C@@H]1N(C)C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329187101 1029976752 /nfs/dbraw/zinc/97/67/52/1029976752.db2.gz BBBGRNUGYXFQBP-PMPSAXMXSA-N 0 0 346.519 3.920 10 30 EHEERN C[C@H]1c2ccccc2O[C@H]1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000117620098 1031780858 /nfs/dbraw/zinc/78/08/58/1031780858.db2.gz YWFBBRONIDGENM-IFXJQAMLSA-N 0 0 336.391 3.872 10 30 EHEERN Cc1nc(NC(=O)[C@H]2Oc3ccccc3[C@H]2C)sc1SCC#N ZINC000117612887 1031781510 /nfs/dbraw/zinc/78/15/10/1031781510.db2.gz HUPSZRJRWJYMOX-RNCFNFMXSA-N 0 0 345.449 3.570 10 30 EHEERN C=CCCC[C@H](C)NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000181396534 1031982939 /nfs/dbraw/zinc/98/29/39/1031982939.db2.gz URWZMIWYNPPUDH-KRWDZBQOSA-N 0 0 349.519 3.555 10 30 EHEERN O=C(N[C@H]1CCSc2ccc(Cl)cc21)N1CCn2ccnc2C1 ZINC000329862746 1033488003 /nfs/dbraw/zinc/48/80/03/1033488003.db2.gz YTDWEDVKOQLHNQ-ZDUSSCGKSA-N 0 0 348.859 3.503 10 30 EHEERN N#CC1(NC(=O)CCOc2ccc(Cl)cc2Cl)CCCC1 ZINC000104524951 1037306270 /nfs/dbraw/zinc/30/62/70/1037306270.db2.gz VGYXSDJYRAUYTH-UHFFFAOYSA-N 0 0 327.211 3.715 10 30 EHEERN N#CCc1ccc(NC(=O)N2CCC[C@@H](c3nccs3)C2)cc1 ZINC000114806881 1037809588 /nfs/dbraw/zinc/80/95/88/1037809588.db2.gz VCFYZOBPULAELU-CQSZACIVSA-N 0 0 326.425 3.621 10 30 EHEERN O=C(NC[C@@H]1CCCCC(F)(F)C1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330197765 1038554867 /nfs/dbraw/zinc/55/48/67/1038554867.db2.gz SFVKVOPCIPAROL-BFYDXBDKSA-N 0 0 344.446 3.743 10 30 EHEERN COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000332844555 1040147446 /nfs/dbraw/zinc/14/74/46/1040147446.db2.gz NTUFPXLVJORKMI-LAQRGFTBSA-N 0 0 341.455 3.870 10 30 EHEERN Cc1ccc(NC(=O)N2CC[C@@H]3CCC[C@H]32)c(OC[C@H]2CCCO2)c1 ZINC000330254419 1042581405 /nfs/dbraw/zinc/58/14/05/1042581405.db2.gz PEASXKXBOKZXSC-LZLYRXPVSA-N 0 0 344.455 3.973 10 30 EHEERN C#CCOc1ccc([C@@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000162522864 1042732482 /nfs/dbraw/zinc/73/24/82/1042732482.db2.gz WUSXQTICIMOACF-FOIQADDNSA-N 0 0 346.434 3.565 10 30 EHEERN Cc1nc([C@@H](C)NC(=O)NCc2ccn(C3CCCC3)n2)cs1 ZINC000330293412 1042838780 /nfs/dbraw/zinc/83/87/80/1042838780.db2.gz HTZFLUWTVKCOGP-LLVKDONJSA-N 0 0 333.461 3.528 10 30 EHEERN C#Cc1cccc(N(C)C(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)c1 ZINC000103031212 1132610461 /nfs/dbraw/zinc/61/04/61/1132610461.db2.gz WBKFTDNDRAVGOU-KUHUBIRLSA-N 0 0 332.403 3.539 10 30 EHEERN C=CC[C@H]1N(C(=O)NC[C@@H]2CCCn3ccnc32)CCCC1(C)C ZINC000333205760 1137958192 /nfs/dbraw/zinc/95/81/92/1137958192.db2.gz OOVQSEMWJIJRHR-JKSUJKDBSA-N 0 0 330.476 3.537 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)c2ccc(C3(C#N)CC3)cc2)cs1 ZINC000187031832 1140234062 /nfs/dbraw/zinc/23/40/62/1140234062.db2.gz UXKCIDHJXAPOEA-KRWDZBQOSA-N 0 0 337.448 3.984 10 30 EHEERN COC[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000103539439 219313551 /nfs/dbraw/zinc/31/35/51/219313551.db2.gz NPWMMTWAKFYFIO-GSVOUGTGSA-N 0 0 330.093 3.668 10 30 EHEERN C=CCN1C(=O)/C(=C/C=C/c2ccc(N(C)C)cc2)SC1=S ZINC000001416040 209743747 /nfs/dbraw/zinc/74/37/47/209743747.db2.gz QHHHHHYCNPUZFY-QWZNWYIFSA-N 0 0 330.478 3.696 10 30 EHEERN N#Cc1ccc(Oc2ccc(I)cc2)c(N)c1 ZINC000035675068 202308103 /nfs/dbraw/zinc/30/81/03/202308103.db2.gz UPWNZRJHLOFTSI-UHFFFAOYSA-N 0 0 336.132 3.537 10 30 EHEERN O=C(CCCCCN1c2ccccc2Oc2ccccc2C1=O)NO ZINC000036475423 202326442 /nfs/dbraw/zinc/32/64/42/202326442.db2.gz BBGZCKMIFCRFKJ-UHFFFAOYSA-N 0 0 340.379 3.505 10 30 EHEERN C[C@@H](c1c(F)cccc1F)N1CCCN(c2ncccc2C#N)CC1 ZINC000064634567 201053612 /nfs/dbraw/zinc/05/36/12/201053612.db2.gz KAYXDGQJHOMXPL-AWEZNQCLSA-N 0 0 342.393 3.505 10 30 EHEERN Fc1cccc(Cl)c1C=NN1C(=S)N=NC1c1cccs1 ZINC000101484358 204007454 /nfs/dbraw/zinc/00/74/54/204007454.db2.gz KSYZVKKGWPPUDL-APSNUPSMSA-N 0 0 338.820 3.970 10 30 EHEERN N#CCc1ccc(OCC(=O)c2ccc(Br)s2)cc1 ZINC000047820919 526485343 /nfs/dbraw/zinc/48/53/43/526485343.db2.gz QPPGKZQUAWWSMZ-UHFFFAOYSA-N 0 0 336.210 3.838 10 30 EHEERN C/C=C/C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC000685959130 564177062 /nfs/dbraw/zinc/17/70/62/564177062.db2.gz LLKNNHZHJLFQKI-MZQMQNLQSA-N 0 0 333.428 3.630 10 30 EHEERN COc1cc(C(=O)/C=C\c2ccc3c(c2)sc(=O)n3C)ccc1F ZINC000588598839 1032450797 /nfs/dbraw/zinc/45/07/97/1032450797.db2.gz GWMHEJFQCDCZNZ-YWEYNIOJSA-N 0 0 343.379 3.644 10 30 EHEERN COc1cc(/C=C\C(=O)c2cc(O)ccc2OC)cc(Cl)c1O ZINC000588409650 1020834273 /nfs/dbraw/zinc/83/42/73/1020834273.db2.gz CYAYEIFKXMCQOR-HYXAFXHYSA-N 0 0 334.755 3.665 10 30 EHEERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3ccc(C#N)cc3)C2)cc1 ZINC000120797239 1022184526 /nfs/dbraw/zinc/18/45/26/1022184526.db2.gz LSMSFQNMOHYOEJ-YOEHRIQHSA-N 0 0 335.407 3.977 10 30 EHEERN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000408163744 1022310033 /nfs/dbraw/zinc/31/00/33/1022310033.db2.gz DWQZSZOWHDBFJP-ROUUACIJSA-N 0 0 326.440 3.615 10 30 EHEERN N#C[C@@H]1CN([C@H]2CCc3ccc(F)cc32)C[C@]12C(=O)Nc1ccccc12 ZINC000328677397 1022464642 /nfs/dbraw/zinc/46/46/42/1022464642.db2.gz LZJZEQUYTZXZAR-RFVSGWPVSA-N 0 0 347.393 3.808 10 30 EHEERN Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](n3cccn3)C2)c(F)c1 ZINC000328681644 1022466182 /nfs/dbraw/zinc/46/61/82/1022466182.db2.gz CPHCNUTWSJBNOT-CABCVRRESA-N 0 0 330.407 3.644 10 30 EHEERN CC(C)[C@H](NC(=O)C[C@@H]1CCCCNC1=O)c1nc(C2CC2)no1 ZINC000328802209 1022507237 /nfs/dbraw/zinc/50/72/37/1022507237.db2.gz ZTVHFUOEGAWROH-JSGCOSHPSA-N 0 0 334.420 3.747 10 30 EHEERN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328893683 1022528785 /nfs/dbraw/zinc/52/87/85/1022528785.db2.gz UOBYQQJTKOZUGY-VVHMCBODSA-N 0 0 341.455 3.676 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)c1cccc([C@H]3CCOC3)c1)CCC2 ZINC000328927363 1022547594 /nfs/dbraw/zinc/54/75/94/1022547594.db2.gz XAMLYTZJKBPZKT-ROUUACIJSA-N 0 0 339.439 3.578 10 30 EHEERN N#Cc1ccc(C(F)(F)F)c(N2CC[C@@H](Oc3cccnc3)C2)c1 ZINC000127244817 1022899595 /nfs/dbraw/zinc/89/95/95/1022899595.db2.gz DHDJHCINMSDWLE-CQSZACIVSA-N 0 0 333.313 3.630 10 30 EHEERN Cc1cnc([C@H](C)NC(=O)c2sc([C@@H]3CCCOC3)nc2C)o1 ZINC000328986830 1023017931 /nfs/dbraw/zinc/01/79/31/1023017931.db2.gz UHZDSUQMPLAFSJ-NWDGAFQWSA-N 0 0 335.429 3.708 10 30 EHEERN Cc1nc([C@H]2CCCN(C(=O)NCc3nccs3)C2)sc1C ZINC000329755153 1024180424 /nfs/dbraw/zinc/18/04/24/1024180424.db2.gz XUQHTLXPQZXECS-LBPRGKRZSA-N 0 0 336.486 3.510 10 30 EHEERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@]2(CCCCO2)[C@@H]1C#N ZINC000329869555 1024230255 /nfs/dbraw/zinc/23/02/55/1024230255.db2.gz YZIYTQPARAKFSI-IWFBPKFRSA-N 0 0 338.451 3.552 10 30 EHEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000329041537 1025575803 /nfs/dbraw/zinc/57/58/03/1025575803.db2.gz OLHANQPBJFBMCV-CHWSQXEVSA-N 0 0 348.472 3.831 10 30 EHEERN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCO[C@H]1c1nccn1CC ZINC000329144810 1025625215 /nfs/dbraw/zinc/62/52/15/1025625215.db2.gz WOZXJKJDJWKQDT-LXTVHRRPSA-N 0 0 337.489 3.611 10 30 EHEERN CCS[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCO[C@H]1c1nccn1CC ZINC000329144809 1025626054 /nfs/dbraw/zinc/62/60/54/1025626054.db2.gz WOZXJKJDJWKQDT-KBUPBQIOSA-N 0 0 337.489 3.611 10 30 EHEERN CN(C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1)C1CCCCC1 ZINC000329286734 1025722128 /nfs/dbraw/zinc/72/21/28/1025722128.db2.gz PLDCVRCUEVRVMA-AWEZNQCLSA-N 0 0 332.492 3.674 10 30 EHEERN CC[C@@H]1CCC[C@@H](NC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)C1 ZINC000329291767 1025729140 /nfs/dbraw/zinc/72/91/40/1025729140.db2.gz QXBBQVVYUVVNPE-XBVQOTNRSA-N 0 0 336.501 3.639 10 30 EHEERN CCC[C@H](CCc1ccccc1)NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329327620 1025756722 /nfs/dbraw/zinc/75/67/22/1025756722.db2.gz JYNWPCGYJVVKTR-KZNAEPCWSA-N 0 0 343.471 3.753 10 30 EHEERN CC[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(F)cc1F ZINC000186006266 1025918303 /nfs/dbraw/zinc/91/83/03/1025918303.db2.gz WLWSFGGNYOYDJB-KRWDZBQOSA-N 0 0 339.349 3.980 10 30 EHEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1cccc(F)c1F ZINC000186020720 1026120966 /nfs/dbraw/zinc/12/09/66/1026120966.db2.gz DUXZFHGPWMBLBB-LLVKDONJSA-N 0 0 325.322 3.590 10 30 EHEERN COc1ccc([C@H]2C[C@H](C)N(C(=O)C3(C#N)CCCCC3)C2)cc1 ZINC000122195125 1026265511 /nfs/dbraw/zinc/26/55/11/1026265511.db2.gz IZZOTGNDCPKBRX-RDJZCZTQSA-N 0 0 326.440 3.874 10 30 EHEERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cccc(CC#N)c3)C2)cc1 ZINC000078188298 1029239227 /nfs/dbraw/zinc/23/92/27/1029239227.db2.gz ZYRUXONCKJJJTQ-BEFAXECRSA-N 0 0 334.419 3.779 10 30 EHEERN CCn1nc(C)c(NC(=O)[C@H]2C[C@]23CCOc2ccccc23)c1C ZINC000329610039 1031346596 /nfs/dbraw/zinc/34/65/96/1031346596.db2.gz CZFXXGXKRWQOLQ-BEFAXECRSA-N 0 0 325.412 3.848 10 30 EHEERN Cc1csc([C@H](C#N)C(=O)c2ccc(-n3cccc3)c(F)c2)n1 ZINC000103795925 1036962129 /nfs/dbraw/zinc/96/21/29/1036962129.db2.gz VOCSXMBEAACCFD-CYBMUJFWSA-N 0 0 325.368 3.871 10 30 EHEERN N#Cc1ccc(SCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000103066916 1137875031 /nfs/dbraw/zinc/87/50/31/1137875031.db2.gz UUOOUMGCHIGDJE-QWHCGFSZSA-N 0 0 342.386 3.888 10 30 EHEERN N#Cc1ccc(SCC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000103066917 1137875051 /nfs/dbraw/zinc/87/50/51/1137875051.db2.gz UUOOUMGCHIGDJE-STQMWFEESA-N 0 0 342.386 3.888 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)CSc2ccc(C#N)cc2)cs1 ZINC000187121438 1140240297 /nfs/dbraw/zinc/24/02/97/1140240297.db2.gz RTXGNHMBSISYSJ-INIZCTEOSA-N 0 0 343.477 3.779 10 30 EHEERN CCOC(=O)c1cnc2c(c(C#N)cn2Cc2ccccc2)c1Cl ZINC000034310674 202272098 /nfs/dbraw/zinc/27/20/98/202272098.db2.gz OGGWFVZFEPANFH-UHFFFAOYSA-N 0 0 339.782 3.786 10 30 EHEERN CCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000043362043 202510490 /nfs/dbraw/zinc/51/04/90/202510490.db2.gz GBXWRIYMZLKSFD-RTBURBONSA-N 0 0 335.488 3.728 10 30 EHEERN C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(OC)c(O)cc4[C@H]3CC[C@@]21C ZINC000022060768 212274435 /nfs/dbraw/zinc/27/44/35/212274435.db2.gz SKJZENPUQVKMJH-PVHGPHFFSA-N 0 0 326.436 3.621 10 30 in-vitro EHEERN O=C1ON=C(c2ccccc2)/C1=C\c1cccc(Br)c1 ZINC000101938682 204027998 /nfs/dbraw/zinc/02/79/98/204027998.db2.gz IQWAWXJODIKNMQ-GXDHUFHOSA-N 0 0 328.165 3.794 10 30 EHEERN N#Cc1ccc(/C=N\c2ccc(I)cc2)cc1 ZINC000100489449 206243853 /nfs/dbraw/zinc/24/38/53/206243853.db2.gz IVKHXRHCNKRNLB-YVLHZVERSA-N 0 0 332.144 3.913 10 30 EHEERN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1OCc1ccc(C#N)cc1 ZINC000261507173 534893593 /nfs/dbraw/zinc/89/35/93/534893593.db2.gz GFAPGVAJPAFWOK-SJORKVTESA-N 0 0 330.428 3.911 10 30 EHEERN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@H](O)C=O ZINC000004096320 560194000 /nfs/dbraw/zinc/19/40/00/560194000.db2.gz HIXLXYQKUSOMDM-UJPCIWJBSA-N 0 0 330.468 3.694 10 30 in-vitro EHEERN C=CCOc1ccc(-c2nc(C(=O)NCC3CC3)cs2)cc1OC ZINC000034717281 563464502 /nfs/dbraw/zinc/46/45/02/563464502.db2.gz DSCAGMZIGVCEHM-UHFFFAOYSA-N 0 0 344.436 3.523 10 30 EHEERN Cc1nnc([C@H](C)NC(=O)NC2CCC(C(F)(F)F)CC2)s1 ZINC000329779872 1032260979 /nfs/dbraw/zinc/26/09/79/1032260979.db2.gz MGTNFUCJOUHSAU-WFRXLMHJSA-N 0 0 336.383 3.532 10 30 EHEERN Cn1c(=O)sc2cc(/C=C\C(=O)c3cccc(F)c3F)ccc21 ZINC000588598772 1032451224 /nfs/dbraw/zinc/45/12/24/1032451224.db2.gz ASIBGCDYRWMCHS-VURMDHGXSA-N 0 0 331.343 3.774 10 30 EHEERN CC1(C)[C@H](C(F)(F)F)CCN1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328680282 1018189580 /nfs/dbraw/zinc/18/95/80/1018189580.db2.gz BXNOJRCHHSUJNS-MNOVXSKESA-N 0 0 347.381 3.605 10 30 EHEERN N#Cc1ccccc1Cn1cccc1CN1CCO[C@H](c2ccco2)C1 ZINC000187425227 1021320541 /nfs/dbraw/zinc/32/05/41/1021320541.db2.gz UWYVTCUJMFDGFI-NRFANRHFSA-N 0 0 347.418 3.575 10 30 EHEERN COc1ccc2[nH]c(C(=O)N[C@H]3CCC(=O)NC34CCC4)cc2c1 ZINC000328699007 1022469975 /nfs/dbraw/zinc/46/99/75/1022469975.db2.gz MAZJHRRCBYCIGP-HNNXBMFYSA-N 0 0 327.384 3.523 10 30 EHEERN O=C(N[C@H]1CCC(=O)NC12CCC2)[C@@H]1CC(=O)Nc2ccccc21 ZINC000328738136 1022476909 /nfs/dbraw/zinc/47/69/09/1022476909.db2.gz KPORODWSJNXNFP-OCCSQVGLSA-N 0 0 327.384 3.760 10 30 EHEERN CCO[C@H](C)c1ncc(C(=O)N[C@@H]2CCC(=O)NC23CCC3)s1 ZINC000328727910 1022488825 /nfs/dbraw/zinc/48/88/25/1022488825.db2.gz DMZILBQNYPYXLF-ZYHUDNBSSA-N 0 0 337.445 3.587 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N(C)[C@H](C)C1CCCCC1)CCC2 ZINC000328728465 1022488980 /nfs/dbraw/zinc/48/89/80/1022488980.db2.gz GVBWPQNPOVNCBM-WBVHZDCISA-N 0 0 332.492 3.884 10 30 EHEERN C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@@H](n2cccn2)C1 ZINC000328726477 1022489036 /nfs/dbraw/zinc/48/90/36/1022489036.db2.gz ZQOLYIAFTLNYSN-CZUORRHYSA-N 0 0 332.835 3.850 10 30 EHEERN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N[C@@H]1CCCC[C@H]1CO ZINC000328878373 1022492272 /nfs/dbraw/zinc/49/22/72/1022492272.db2.gz JDKORVYJYKMCOS-JKSUJKDBSA-N 0 0 327.428 3.549 10 30 EHEERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC1CCC(F)(F)CC1 ZINC000328983129 1022558573 /nfs/dbraw/zinc/55/85/73/1022558573.db2.gz SJFPPBBMFRDDKC-CHWSQXEVSA-N 0 0 327.375 3.515 10 30 EHEERN O=C(N[C@H]1CCOc2c(F)cccc21)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330041444 1024300505 /nfs/dbraw/zinc/30/05/05/1024300505.db2.gz GEXXYSJEXKKCMM-BHYGNILZSA-N 0 0 342.370 3.779 10 30 EHEERN COc1ccc([C@H](Nc2cnn(-c3ncccc3C#N)c2)C(C)C)cc1 ZINC000186001549 1024363809 /nfs/dbraw/zinc/36/38/09/1024363809.db2.gz AOCOMZONGUWCOV-LJQANCHMSA-N 0 0 347.422 3.957 10 30 EHEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CSC1(C)C ZINC000329136188 1025619265 /nfs/dbraw/zinc/61/92/65/1025619265.db2.gz QWROXTUDLNFUSB-VHDGCEQUSA-N 0 0 337.489 3.782 10 30 EHEERN C[C@H](CNC(=O)C[C@@H]1CCCCNC1=O)N1CCc2ccccc21 ZINC000329235182 1025685796 /nfs/dbraw/zinc/68/57/96/1025685796.db2.gz IKMDNAQQRLFSRN-ZBFHGGJFSA-N 0 0 329.444 3.541 10 30 EHEERN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329262335 1025703988 /nfs/dbraw/zinc/70/39/88/1025703988.db2.gz BIWHCQIWQDSIGM-OUENDJJVSA-N 0 0 345.443 3.546 10 30 EHEERN CC[C@@H]1CCCN(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000329312231 1025745475 /nfs/dbraw/zinc/74/54/75/1025745475.db2.gz ZZGJDUXEXBSZBE-CABCVRRESA-N 0 0 332.492 3.531 10 30 EHEERN CC1(C)C[C@H](NC(=O)C2(N3CCOCC3)CCC2)c2ccccc2O1 ZINC000329353236 1025774776 /nfs/dbraw/zinc/77/47/76/1025774776.db2.gz XXJRKLVSPVFRCP-INIZCTEOSA-N 0 0 344.455 3.500 10 30 EHEERN O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000329497555 1025925997 /nfs/dbraw/zinc/92/59/97/1025925997.db2.gz XOFIFCKBZCJDCL-NXHRZFHOSA-N 0 0 345.487 3.753 10 30 EHEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@H]1c1ccccc1 ZINC000329514386 1025944805 /nfs/dbraw/zinc/94/48/05/1025944805.db2.gz YFBVSAIECVENND-HLLBOEOZSA-N 0 0 329.444 3.881 10 30 EHEERN CCC[C@H](C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1ccccn1 ZINC000329525054 1025958141 /nfs/dbraw/zinc/95/81/41/1025958141.db2.gz SLAUDDCFYKUMHN-IKGGRYGDSA-N 0 0 343.471 3.713 10 30 EHEERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)C3(C#N)CCCCC3)C2)cc1 ZINC000122195317 1026266106 /nfs/dbraw/zinc/26/61/06/1026266106.db2.gz IZZOTGNDCPKBRX-NVXWUHKLSA-N 0 0 326.440 3.874 10 30 EHEERN Cc1ccc([C@@H]2CN(C(=O)Nc3ccc(C#N)c(Cl)c3)CCO2)o1 ZINC000153048813 1026977207 /nfs/dbraw/zinc/97/72/07/1026977207.db2.gz MKMZPKBZGNZCGY-INIZCTEOSA-N 0 0 345.786 3.719 10 30 EHEERN C=C[C@H](CC(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1 ZINC000128162523 1027401043 /nfs/dbraw/zinc/40/10/43/1027401043.db2.gz HJTFAFITFVIUPM-OXQOHEQNSA-N 0 0 346.434 3.679 10 30 EHEERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccc(CC#N)c3)C2)cc1 ZINC000078188299 1029240261 /nfs/dbraw/zinc/24/02/61/1029240261.db2.gz ZYRUXONCKJJJTQ-KXBFYZLASA-N 0 0 334.419 3.779 10 30 EHEERN Cn1nc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c(=O)c2ccccc21 ZINC000329235483 1030066838 /nfs/dbraw/zinc/06/68/38/1030066838.db2.gz NOWIWVQQVLYLMB-SOUVJXGZSA-N 0 0 339.439 3.597 10 30 EHEERN COc1ccc(O)cc1C(=O)/C=C\c1ccc(N(C)C(C)C)nc1 ZINC000588580432 1030410118 /nfs/dbraw/zinc/41/01/18/1030410118.db2.gz OSWOZWFMAPPZJZ-YVMONPNESA-N 0 0 326.396 3.537 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCC(=Cc2ccccc2F)CC1 ZINC000329621707 1031448083 /nfs/dbraw/zinc/44/80/83/1031448083.db2.gz GZSSWAVHTXLQMZ-WMZOPIPTSA-N 0 0 327.403 3.911 10 30 EHEERN C[C@]1(NC(=O)NC2CCC(C(F)(F)F)CC2)CCO[C@H]1C1CC1 ZINC000329722631 1031960549 /nfs/dbraw/zinc/96/05/49/1031960549.db2.gz CLAMLGGESGNKHC-DVTFPSANSA-N 0 0 334.382 3.569 10 30 EHEERN NC(=O)C1(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)CCCCC1 ZINC000329726407 1031996441 /nfs/dbraw/zinc/99/64/41/1031996441.db2.gz OLGAKYBNICPWQQ-KBXCAEBGSA-N 0 0 328.412 3.921 10 30 EHEERN Cc1noc2ncc(NC(=O)[C@H]3C[C@]34CCOc3ccccc34)cc12 ZINC000329735481 1032035477 /nfs/dbraw/zinc/03/54/77/1032035477.db2.gz SAWPVQTZVDPPKY-BEFAXECRSA-N 0 0 335.363 3.860 10 30 EHEERN N#Cc1csc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)c1 ZINC000191210789 1036706373 /nfs/dbraw/zinc/70/63/73/1036706373.db2.gz JDXXPMYYNXZWTR-GFCCVEGCSA-N 0 0 332.375 3.918 10 30 EHEERN N#Cc1ccc(CN[C@H](c2ncon2)c2ccc(Cl)cc2)s1 ZINC000122607184 1037993287 /nfs/dbraw/zinc/99/32/87/1037993287.db2.gz DBGIAYHPGQPCEM-AWEZNQCLSA-N 0 0 330.800 3.535 10 30 EHEERN Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000301729748 1041851079 /nfs/dbraw/zinc/85/10/79/1041851079.db2.gz WUZWERFMMGEDPQ-YWZLYKJASA-N 0 0 339.414 3.685 10 30 EHEERN Cc1nc(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)ccc1C#N ZINC000190274559 1042497825 /nfs/dbraw/zinc/49/78/25/1042497825.db2.gz JRPHTROOSIBNSR-AWEZNQCLSA-N 0 0 341.361 3.560 10 30 EHEERN O=C(Nc1cccc(N2CCCCC2=O)c1)N1CC[C@H]2CCC[C@H]21 ZINC000330252390 1042568659 /nfs/dbraw/zinc/56/86/59/1042568659.db2.gz OHRFPCJUUZDYRK-RHSMWYFYSA-N 0 0 327.428 3.623 10 30 EHEERN N#Cc1cc(F)c(NCc2nnc(-c3ccccc3)s2)c(F)c1 ZINC000301641017 1128600882 /nfs/dbraw/zinc/60/08/82/1128600882.db2.gz MEMUNDWDFMCVGG-UHFFFAOYSA-N 0 0 328.347 3.967 10 30 EHEERN C[C@H](Oc1ccccc1C#N)C(=O)Oc1ccccc1OC(F)F ZINC000105982850 1136015300 /nfs/dbraw/zinc/01/53/00/1136015300.db2.gz NOZUMKYEPGYDIN-NSHDSACASA-N 0 0 333.290 3.533 10 30 EHEERN CN(C[C@@H]1CCCO1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000103194443 1137875455 /nfs/dbraw/zinc/87/54/55/1137875455.db2.gz QFWWDUVLFKPXSY-IBGZPJMESA-N 0 0 336.391 3.602 10 30 EHEERN C=C(C)Cc1c(C)c(C#N)c2nc3ccccc3n2c1NCCOC ZINC000033727462 212961503 /nfs/dbraw/zinc/96/15/03/212961503.db2.gz GXZIFBIXWCOAQZ-UHFFFAOYSA-N 0 0 334.423 3.845 10 30 EHEERN CCOc1ccc(/C=C\C(=O)c2c(Br)cnn2CC)cc1 ZINC000033514810 202264604 /nfs/dbraw/zinc/26/46/04/202264604.db2.gz WDCXAZRVJQYLMC-YFHOEESVSA-N 0 0 349.228 3.960 10 30 EHEERN CCCCCCCNC(=O)[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 ZINC000104135749 204096339 /nfs/dbraw/zinc/09/63/39/204096339.db2.gz KMQZMQNTDJOQMZ-KRWDZBQOSA-N 0 0 330.472 3.743 10 30 EHEERN C#CCCCCCCCCCCC[C@H](O)C[C@H](CO)OC(C)=O ZINC000015270282 211811108 /nfs/dbraw/zinc/81/11/08/211811108.db2.gz LQFANUWEWSJRJG-RBUKOAKNSA-N 0 0 326.477 3.586 10 30 endogenous,in-man EHEERN CCN(CC)c1ccc(C=[NH+][N-]c2cccc([N+](=O)[O-])c2)c(O)c1 ZINC000004867192 520883750 /nfs/dbraw/zinc/88/37/50/520883750.db2.gz ODLICNDBJFJWGG-LDADJPATSA-N 0 0 328.372 3.593 10 30 EHEERN CCOc1ccccc1/C=N\n1cnnc1SCc1ccccc1 ZINC000001780589 521450512 /nfs/dbraw/zinc/45/05/12/521450512.db2.gz MAMHOHCSODLSHN-NDENLUEZSA-N 0 0 338.436 3.851 10 30 EHEERN O=C(/C(=N/N=C/c1ccc([N+](=O)[O-])o1)c1ccccc1)c1ccccc1 ZINC000006551482 527591036 /nfs/dbraw/zinc/59/10/36/527591036.db2.gz BBOQCXKSBYPWKN-NQUFBGNASA-N 0 0 347.330 3.894 10 30 EHEERN C/C=C/C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC000685959136 564177074 /nfs/dbraw/zinc/17/70/74/564177074.db2.gz LLKNNHZHJLFQKI-ZITYKTJOSA-N 0 0 333.428 3.630 10 30 EHEERN N#Cc1ccc(C2(C(=O)N3CC=C(c4ccccc4)CC3)CC2)cc1 ZINC000187131806 1014861875 /nfs/dbraw/zinc/86/18/75/1014861875.db2.gz YNNYKCGBWQDBDG-UHFFFAOYSA-N 0 0 328.415 3.906 10 30 EHEERN N#CCSc1cccc(C(=O)N2Cc3ccccc3C3(CC3)C2)c1 ZINC000184675090 1032316760 /nfs/dbraw/zinc/31/67/60/1032316760.db2.gz UNRGPBRAFGOFDT-UHFFFAOYSA-N 0 0 334.444 3.990 10 30 EHEERN COc1ccc(O)cc1C(=O)/C=C\c1c(C)nc2sc(C)cn12 ZINC000588409671 1020834038 /nfs/dbraw/zinc/83/40/38/1020834038.db2.gz LBNSCSUZQDHERF-WAYWQWQTSA-N 0 0 328.393 3.623 10 30 EHEERN COCCCOc1cccc(/C=C\C(=O)c2cc(O)ccc2OC)c1 ZINC000588409701 1020836085 /nfs/dbraw/zinc/83/60/85/1020836085.db2.gz QFBNRIACMZGCOM-CLFYSBASSA-N 0 0 342.391 3.712 10 30 EHEERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1coc(C2CCCC2)n1 ZINC000328636728 1022451738 /nfs/dbraw/zinc/45/17/38/1022451738.db2.gz AJPXMBDWMKYZKE-DOTOQJQBSA-N 0 0 341.411 3.952 10 30 EHEERN Cc1cccc(C)c1NC(=O)[C@H](C)N1CCC[C@@H](n2cccn2)C1 ZINC000328684220 1022466734 /nfs/dbraw/zinc/46/67/34/1022466734.db2.gz DXIWAQYNYMFCJG-DLBZAZTESA-N 0 0 326.444 3.814 10 30 EHEERN C[C@H](C(=O)Nc1ccccc1Cl)N1CCC[C@H](n2cccn2)C1 ZINC000328707245 1022473038 /nfs/dbraw/zinc/47/30/38/1022473038.db2.gz PXNXWCOIAYNMHV-KGLIPLIRSA-N 0 0 332.835 3.850 10 30 EHEERN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)NC[C@@H]1CCCC[C@@H]1O ZINC000328877946 1022482189 /nfs/dbraw/zinc/48/21/89/1022482189.db2.gz UJGSVMLCAPANQC-HOTGVXAUSA-N 0 0 327.428 3.549 10 30 EHEERN CC1(C)SC[C@@H]1NC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000328766954 1022483827 /nfs/dbraw/zinc/48/38/27/1022483827.db2.gz PRGAWSJOINHERI-KBPBESRZSA-N 0 0 330.457 3.508 10 30 EHEERN CC(C)c1csc([C@@H]2CCCN(C(=O)N[C@@H]3CCO[C@H]3C)C2)n1 ZINC000328912922 1022543993 /nfs/dbraw/zinc/54/39/93/1022543993.db2.gz HQWUTCHNLIFWCA-BFHYXJOUSA-N 0 0 337.489 3.537 10 30 EHEERN CC(C)c1ccc2c(c1)[C@H](NC(=O)N(C)[C@@H]1CCNC1=O)CCC2 ZINC000328914214 1022544230 /nfs/dbraw/zinc/54/42/30/1022544230.db2.gz ITFUCRQGDSTFOB-IAGOWNOFSA-N 0 0 329.444 3.762 10 30 EHEERN C#CC[C@H](OC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000588447536 1022809740 /nfs/dbraw/zinc/80/97/40/1022809740.db2.gz YMQFYZHATSRKCB-JKGDOXCYSA-N 0 0 336.347 3.701 10 30 EHEERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc2ccccc2[nH]1 ZINC000588447605 1022814099 /nfs/dbraw/zinc/81/40/99/1022814099.db2.gz QQBMVYVQFXURHC-WQTVUKCASA-N 0 0 346.346 3.751 10 30 EHEERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc(C)cs1 ZINC000588447579 1022815645 /nfs/dbraw/zinc/81/56/45/1022815645.db2.gz NOVGYLHEGJXDRA-JKEYDSJLSA-N 0 0 327.365 3.640 10 30 EHEERN Cn1cc([C@H]2CCCN2C(=O)NCc2csc3ccccc23)cn1 ZINC000328979694 1023001122 /nfs/dbraw/zinc/00/11/22/1023001122.db2.gz XMFIHHVIKQYGLW-MRXNPFEDSA-N 0 0 340.452 3.886 10 30 EHEERN CCOc1cc2c(cc1/C=C\C(=O)OCC1(C#N)CCC1)O[C@@H](C)C2 ZINC000588477917 1023875496 /nfs/dbraw/zinc/87/54/96/1023875496.db2.gz VUAFFEKILRMXHW-GXMNPTEKSA-N 0 0 341.407 3.659 10 30 EHEERN O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329718388 1024129147 /nfs/dbraw/zinc/12/91/47/1024129147.db2.gz YSUHQQPSOGDCLR-BRWVUGGUSA-N 0 0 345.418 3.632 10 30 EHEERN O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1C[C@H]2CCC[C@H]21 ZINC000329807285 1024203428 /nfs/dbraw/zinc/20/34/28/1024203428.db2.gz LPUQCDGOYJOMIO-CRAIPNDOSA-N 0 0 336.439 3.916 10 30 EHEERN C[C@@H]1CC(CNC(=O)N[C@H]2CCCc3ccc(F)cc32)C[C@@H](C)O1 ZINC000329810361 1024206157 /nfs/dbraw/zinc/20/61/57/1024206157.db2.gz CIPLOVRITGGHDX-VFVRVIDISA-N 0 0 334.435 3.910 10 30 EHEERN Cc1nn(C)c(-n2ccnc2C)c1C(=O)N[C@H]1CCCc2ccccc21 ZINC000330247635 1024370104 /nfs/dbraw/zinc/37/01/04/1024370104.db2.gz FSZVNQDHRDCPNR-KRWDZBQOSA-N 0 0 349.438 3.605 10 30 EHEERN CCCc1c(NC(=O)N2C[C@@H]3CCC[C@H]32)cnn1-c1ccc(F)cc1 ZINC000330259828 1024375689 /nfs/dbraw/zinc/37/56/89/1024375689.db2.gz SHAGEOLGBCTVCG-SUMWQHHRSA-N 0 0 342.418 3.994 10 30 EHEERN C[C@@H](C(=O)NC1CCC(C)CC1)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329049110 1025580276 /nfs/dbraw/zinc/58/02/76/1025580276.db2.gz QRCYKYGPCSOGCR-GOPBEWJXSA-N 0 0 346.475 3.660 10 30 EHEERN COc1ccccc1[C@H]1CCC[C@@H](C)N1CC(=O)NC[C@@H]1CCCO1 ZINC000329084331 1025592344 /nfs/dbraw/zinc/59/23/44/1025592344.db2.gz TWIOOKJGKHAVHZ-SOLBZPMBSA-N 0 0 346.471 3.746 10 30 EHEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCC[C@@H]1C1CCC1)C2 ZINC000329272859 1025714144 /nfs/dbraw/zinc/71/41/44/1025714144.db2.gz JSYLKGQTODQKNU-JKSUJKDBSA-N 0 0 344.503 3.674 10 30 EHEERN C=CC[C@H](C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000588528776 1026657276 /nfs/dbraw/zinc/65/72/76/1026657276.db2.gz LXCDRVXKFDYVPK-IBSYWUHOSA-N 0 0 344.455 3.543 10 30 EHEERN C=C[C@@H](CC(=O)N[C@@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1 ZINC000128162974 1027400720 /nfs/dbraw/zinc/40/07/20/1027400720.db2.gz HJTFAFITFVIUPM-OXJNMPFZSA-N 0 0 346.434 3.679 10 30 EHEERN COc1ccc(-n2ccc(CN[C@H](C)c3ccc(C#N)s3)n2)cc1 ZINC000183315659 1027557410 /nfs/dbraw/zinc/55/74/10/1027557410.db2.gz XOQJINPRXCJDMR-CYBMUJFWSA-N 0 0 338.436 3.665 10 30 EHEERN N#Cc1cc([N+](=O)[O-])ccc1N1CCC(Nc2ccccc2F)CC1 ZINC000078370502 1027744482 /nfs/dbraw/zinc/74/44/82/1027744482.db2.gz XMTKWDMGNXJAGR-UHFFFAOYSA-N 0 0 340.358 3.686 10 30 EHEERN C=C[C@](C)(CCOC)COC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588552096 1027882060 /nfs/dbraw/zinc/88/20/60/1027882060.db2.gz LBKIFKDFVTWWKS-RXXLQFRUSA-N 0 0 333.384 3.770 10 30 EHEERN N#Cc1cc2c(nc1SCc1nc(-c3ccoc3)no1)CCCC2 ZINC000105573033 1028517389 /nfs/dbraw/zinc/51/73/89/1028517389.db2.gz VTIXJSOAAXJGLB-UHFFFAOYSA-N 0 0 338.392 3.767 10 30 EHEERN Cc1ccc(C)c(NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 ZINC000114564275 1029453027 /nfs/dbraw/zinc/45/30/27/1029453027.db2.gz ZJOZYNKDBWMDRY-IBGZPJMESA-N 0 0 348.450 3.545 10 30 EHEERN O=C(NCc1csc2ccccc12)N1CCC(c2cc[nH]n2)CC1 ZINC000329275626 1030225194 /nfs/dbraw/zinc/22/51/94/1030225194.db2.gz ITDACPMPFUABSN-UHFFFAOYSA-N 0 0 340.452 3.918 10 30 EHEERN CN(CC1CCCC1)C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329298402 1030332977 /nfs/dbraw/zinc/33/29/77/1030332977.db2.gz UJFXCBJJWQCTJC-OAHLLOKOSA-N 0 0 332.492 3.531 10 30 EHEERN Cc1cn2cc(NC(=O)N3CCC(c4nccs4)CC3)ccc2n1 ZINC000329863270 1033490694 /nfs/dbraw/zinc/49/06/94/1033490694.db2.gz ZALKUUGNBDLLMM-UHFFFAOYSA-N 0 0 341.440 3.524 10 30 EHEERN O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCC(Cn2cccn2)CC1 ZINC000329863342 1033492972 /nfs/dbraw/zinc/49/29/72/1033492972.db2.gz ZBHROAGWQHVSRF-GBESFXJTSA-N 0 0 344.503 3.868 10 30 EHEERN C[C@@H](NCc1ncc(-c2ccccc2)cn1)c1ccc(OCC#N)cc1 ZINC000186062061 1035574236 /nfs/dbraw/zinc/57/42/36/1035574236.db2.gz AJMISCFXPNBUBX-MRXNPFEDSA-N 0 0 344.418 3.897 10 30 EHEERN C=CC[C@@H](C(=O)NC1CCN(c2ccc(C)cn2)CC1)c1ccccc1 ZINC000188221334 1035920340 /nfs/dbraw/zinc/92/03/40/1035920340.db2.gz RYQYBNIZOYHQEE-HXUWFJFHSA-N 0 0 349.478 3.835 10 30 EHEERN CC(C)c1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@@H]2C#N)c(O)c1 ZINC000408409603 1039652690 /nfs/dbraw/zinc/65/26/90/1039652690.db2.gz AGVQTZTUOVJQTF-AZUAARDMSA-N 0 0 342.439 3.583 10 30 EHEERN N#CCSc1cccc(C(=O)N2CCO[C@@H](c3cccs3)C2)c1 ZINC000162245397 1042718011 /nfs/dbraw/zinc/71/80/11/1042718011.db2.gz CWRBMNBXRUZHNI-OAHLLOKOSA-N 0 0 344.461 3.577 10 30 EHEERN CC(C)CCN(CCC#N)C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000103440249 1137876423 /nfs/dbraw/zinc/87/64/23/1137876423.db2.gz BFKGPZIGYKQAFI-MAUKXSAKSA-N 0 0 341.455 3.683 10 30 EHEERN CCOc1cc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)ccc1O ZINC000022000892 202076440 /nfs/dbraw/zinc/07/64/40/202076440.db2.gz YTEFYZZJNNARHZ-ZROIWOOFSA-N 0 0 343.766 3.789 10 30 EHEERN COc1cc(/C=C\C(=O)c2nn(C)cc2Cl)ccc1OC(F)F ZINC000033514814 202265118 /nfs/dbraw/zinc/26/51/18/202265118.db2.gz XVDIUMXBDUHNBE-HYXAFXHYSA-N 0 0 342.729 3.580 10 30 EHEERN CC(C)CC(=O)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1 ZINC000040358821 202435907 /nfs/dbraw/zinc/43/59/07/202435907.db2.gz LNRMQTDCJLLFCZ-SFHVURJKSA-N 0 0 339.391 3.790 10 30 EHEERN CC1=C(C2=C(C)C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C1=O ZINC000058591547 201142952 /nfs/dbraw/zinc/14/29/52/201142952.db2.gz RFRKMASEXOLDTH-UHFFFAOYSA-N 0 0 342.350 3.778 10 30 EHEERN CC(C)C(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000005124999 201639967 /nfs/dbraw/zinc/63/99/67/201639967.db2.gz BBWHJPVNVNUGOQ-VLGSPTGOSA-N 0 0 328.328 3.975 10 30 EHEERN N#Cc1ccccc1NC(=O)CCOc1ccccc1Br ZINC000019847522 212075241 /nfs/dbraw/zinc/07/52/41/212075241.db2.gz PGUQRUIMSXLJTI-UHFFFAOYSA-N 0 0 345.196 3.728 10 30 EHEERN CCC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1 ZINC000005788759 520179845 /nfs/dbraw/zinc/17/98/45/520179845.db2.gz JUSRTZKYQXGKQQ-XDJHFCHBSA-N 0 0 329.356 3.838 10 30 EHEERN COc1ccccc1/C=N\n1cnnc1SCc1ccc(C)cc1 ZINC000033289722 524325905 /nfs/dbraw/zinc/32/59/05/524325905.db2.gz KLVHAUROOXEKLR-JAIQZWGSSA-N 0 0 338.436 3.770 10 30 EHEERN COc1ccc(C(=O)N=C(N[C@H](C)c2ccccc2)OC(C)C)cc1 ZINC000004590399 563812402 /nfs/dbraw/zinc/81/24/02/563812402.db2.gz LJNWWUWPZVWHBJ-OAHLLOKOSA-N 0 0 340.423 3.967 10 30 EHEERN Cc1ccc(/N=C2/NC(=O)/C(=C3/c4ccccc4NC3=O)S2)cc1C ZINC000034206692 564038670 /nfs/dbraw/zinc/03/86/70/564038670.db2.gz WBZYYYFWNVIPII-FOCLMDBBSA-N 0 0 349.415 3.517 10 30 EHEERN C[C@H](Cc1cccs1)C(=O)N[C@@H]1CCO[C@@H](c2cncn2C)C1 ZINC000328618482 564136942 /nfs/dbraw/zinc/13/69/42/564136942.db2.gz DSJKFWCZXBSTHI-XJKCOSOUSA-N 0 0 333.457 3.537 10 30 EHEERN C[C@]1(NC(=O)NC[C@@H]2CCCC[C@@H]2C(F)(F)F)CCO[C@@H]1C1CC1 ZINC000329754823 1032126564 /nfs/dbraw/zinc/12/65/64/1032126564.db2.gz LBYADFYHSHIZJW-AYDFFVQHSA-N 0 0 348.409 3.816 10 30 EHEERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3cccc(C#N)c3)C2)cc1 ZINC000120798894 1022203445 /nfs/dbraw/zinc/20/34/45/1022203445.db2.gz YMEOBANKYXYTKE-PBHICJAKSA-N 0 0 335.407 3.977 10 30 EHEERN Cc1nc2ccccc2n1CCC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328704828 1022472543 /nfs/dbraw/zinc/47/25/43/1022472543.db2.gz PBFAPAHDHQEJJQ-INIZCTEOSA-N 0 0 340.427 3.733 10 30 EHEERN C[C@H](NC([O-])=[NH+][C@@H]1CCc2c1cccc2F)[C@@H]1COc2ccccc21 ZINC000328843778 1022513369 /nfs/dbraw/zinc/51/33/69/1022513369.db2.gz PPZPMERMXSCLIS-ULFGMLNVSA-N 0 0 340.398 3.881 10 30 EHEERN CC(C)c1ccc2c(c1)[C@@H](NC(=O)N(C)[C@H]1CCNC1=O)CCC2 ZINC000328914315 1022543050 /nfs/dbraw/zinc/54/30/50/1022543050.db2.gz ITFUCRQGDSTFOB-IRXDYDNUSA-N 0 0 329.444 3.762 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)c1cccc([C@@H]3CCOC3)c1)CCC2 ZINC000328927364 1022547888 /nfs/dbraw/zinc/54/78/88/1022547888.db2.gz XAMLYTZJKBPZKT-ZWKOTPCHSA-N 0 0 339.439 3.578 10 30 EHEERN O=C(Nc1cccc2c1OCCO2)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000328895613 1022572008 /nfs/dbraw/zinc/57/20/08/1022572008.db2.gz WHOFKCQDUKQULF-JLTOFOAXSA-N 0 0 337.375 3.786 10 30 EHEERN CC(C)c1nc(C2(NCC(=O)NC3CCCCC3)CCCC2)no1 ZINC000329669278 1024023681 /nfs/dbraw/zinc/02/36/81/1024023681.db2.gz RHJLHHCWXQYJGZ-UHFFFAOYSA-N 0 0 334.464 3.841 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1cccc2c1CCCC2 ZINC000329885085 1024235079 /nfs/dbraw/zinc/23/50/79/1024235079.db2.gz UBNKBTHGVZMZBF-CRAIPNDOSA-N 0 0 325.412 3.665 10 30 EHEERN O=C(Nc1ccc(OC(F)F)c2cccnc12)N1C[C@@H]2CCC[C@H]21 ZINC000330086159 1024311834 /nfs/dbraw/zinc/31/18/34/1024311834.db2.gz RWUDSDDQRIEIAQ-GXFFZTMASA-N 0 0 333.338 3.866 10 30 EHEERN COc1ccc([C@@H](C)[C@@H](C)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000186003458 1024523135 /nfs/dbraw/zinc/52/31/35/1024523135.db2.gz MAKUIEGUHPNGKR-LSDHHAIUSA-N 0 0 347.422 3.752 10 30 EHEERN C[C@@H]1Oc2ccc(NC(=O)C[C@H]3CCCCC(=O)N3)cc2NC1=O ZINC000329274092 1025713356 /nfs/dbraw/zinc/71/33/56/1025713356.db2.gz KHHXIOFUFXUMMN-WDEREUQCSA-N 0 0 331.372 3.933 10 30 EHEERN C[C@@H]1CCC[C@H](N(C)C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000329308875 1025737460 /nfs/dbraw/zinc/73/74/60/1025737460.db2.gz YZRFMBUUOMYPBG-PMPSAXMXSA-N 0 0 346.519 3.920 10 30 EHEERN CC(C)C(=O)N[C@@H]1CCCN(C(=O)Nc2cnc3c(c2)CCCC3)C1 ZINC000329486938 1025912152 /nfs/dbraw/zinc/91/21/52/1025912152.db2.gz XPVGQLJQNBDKEM-OAHLLOKOSA-N 0 0 344.459 3.583 10 30 EHEERN CC1(C)Cc2occc2[C@@H](Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000186024350 1026140371 /nfs/dbraw/zinc/14/03/71/1026140371.db2.gz LGHPOEZJVDLRMR-INIZCTEOSA-N 0 0 333.395 3.858 10 30 EHEERN C[C@@H](NC(=O)c1cccc(SCC#N)c1)[C@@H]1COc2ccccc21 ZINC000128614736 1027458903 /nfs/dbraw/zinc/45/89/03/1027458903.db2.gz HMMVUDDUPHBIEU-DYVFJYSZSA-N 0 0 338.432 3.597 10 30 EHEERN C=CCOc1cccc(NC(=O)N2CCO[C@@H](c3ccc(C)o3)C2)c1 ZINC000153696029 1028616370 /nfs/dbraw/zinc/61/63/70/1028616370.db2.gz ULUYFJDZTPINLD-GOSISDBHSA-N 0 0 342.395 3.758 10 30 EHEERN Cc1noc([C@@H]2CCCN2C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)n1 ZINC000329188514 1029980730 /nfs/dbraw/zinc/98/07/30/1029980730.db2.gz BQMDISGJXTUDHR-TUAOUCFPSA-N 0 0 346.353 3.550 10 30 EHEERN Cc1cnc([C@H](C)NC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)o1 ZINC000329232564 1030054174 /nfs/dbraw/zinc/05/41/74/1030054174.db2.gz GCGXTNGUTCBPOF-FPMFFAJLSA-N 0 0 328.368 3.575 10 30 EHEERN O=C1c2cc(Cl)cc(Br)c2OC/C1=C\c1cocn1 ZINC000588578602 1030096167 /nfs/dbraw/zinc/09/61/67/1030096167.db2.gz OJYCJMYZDNEMLD-LREOWRDNSA-N 0 0 340.560 3.749 10 30 EHEERN CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000114901670 1030322760 /nfs/dbraw/zinc/32/27/60/1030322760.db2.gz LCIXJKAFYRTLCI-CQSZACIVSA-N 0 0 337.427 3.622 10 30 EHEERN Cc1nc([C@H](C)NC(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)cs1 ZINC000329622329 1031451199 /nfs/dbraw/zinc/45/11/99/1031451199.db2.gz NJSPSDYJCKSGRH-MJEQTWJJSA-N 0 0 345.468 3.936 10 30 EHEERN Cc1nc([C@H](C)NC(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)cs1 ZINC000329622330 1031451683 /nfs/dbraw/zinc/45/16/83/1031451683.db2.gz NJSPSDYJCKSGRH-XGWLTEMNSA-N 0 0 345.468 3.936 10 30 EHEERN Cc1cccc2c1OCC[C@@H]2NC(=O)N(C)Cc1cccc(C#N)c1 ZINC000188614289 1035372010 /nfs/dbraw/zinc/37/20/10/1035372010.db2.gz JSIIVPSKABBTJS-SFHVURJKSA-N 0 0 335.407 3.532 10 30 EHEERN C=CC[C@@H](C(=O)N1CCC(Nc2nccs2)CC1)c1ccccc1 ZINC000190438032 1036240541 /nfs/dbraw/zinc/24/05/41/1036240541.db2.gz PZGYYGGIVIAEQF-QGZVFWFLSA-N 0 0 341.480 3.906 10 30 EHEERN N#Cc1cnc2ccc(Cl)cc2c1N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000150998986 1039643664 /nfs/dbraw/zinc/64/36/64/1039643664.db2.gz LGKYZLCASGMHDQ-AUUYWEPGSA-N 0 0 341.842 3.891 10 30 EHEERN N#Cc1cccc(Cl)c1N1CCC(c2noc(C3CC3)n2)CC1 ZINC000302164123 1128623444 /nfs/dbraw/zinc/62/34/44/1128623444.db2.gz IOKFGWQLRSSUJI-UHFFFAOYSA-N 0 0 328.803 3.856 10 30 EHEERN COc1ccc(C(=O)/C=C/c2ccc(O)c(Cl)c2)cc1NC(C)=O ZINC000102200677 1135488491 /nfs/dbraw/zinc/48/84/91/1135488491.db2.gz XHNHQEOSGSBHBT-ZZXKWVIFSA-N 0 0 345.782 3.909 10 30 EHEERN N#Cc1nc(-c2ccccc2[N+](=O)[O-])oc1N1CCc2ccccc2C1 ZINC000006928690 201706983 /nfs/dbraw/zinc/70/69/83/201706983.db2.gz ZMHJMTSDWFCMDY-UHFFFAOYSA-N 0 0 346.346 3.684 10 30 EHEERN C=CCNc1ncnc(NC(c2ccccc2)c2ccccc2)c1N ZINC000040709021 213373717 /nfs/dbraw/zinc/37/37/17/213373717.db2.gz HWXNIRWHGWXGNW-UHFFFAOYSA-N 0 0 331.423 3.858 10 30 EHEERN CC(C)(C)NC(=Nc1nccc2ccccc21)Nc1nccs1 ZINC000026149015 201386889 /nfs/dbraw/zinc/38/68/89/201386889.db2.gz CYJJLEJTPWFUST-UHFFFAOYSA-N 0 0 325.441 3.601 10 30 EHEERN S=C(N/N=C/c1c(Cl)cccc1Cl)N[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000004365337 563501501 /nfs/dbraw/zinc/50/15/01/563501501.db2.gz ZWGSOQFBFQKSPZ-RSDHEFICSA-N 0 0 340.279 3.756 10 30 EHEERN CCOC(=O)c1cc(/C=N/c2nc3ccc(OC)cc3s2)[nH]c1C ZINC000100208553 563982408 /nfs/dbraw/zinc/98/24/08/563982408.db2.gz QPNFNMGRQFTFIH-GIJQJNRQSA-N 0 0 343.408 3.869 10 30 EHEERN Cn1c2c(nc1[C@@H]1CCCN1Cc1ccc(C#N)s1)CCCC2 ZINC000275539879 564009172 /nfs/dbraw/zinc/00/91/72/564009172.db2.gz MNQMGVPJFRXMIY-KRWDZBQOSA-N 0 0 326.469 3.569 10 30 EHEERN C=C(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000685961326 564177154 /nfs/dbraw/zinc/17/71/54/564177154.db2.gz GBXVRINFCYDEJR-GDBMZVCRSA-N 0 0 333.428 3.630 10 30 EHEERN Cc1cccc2c1OCC[C@@H]2NC(=O)C1(c2ccc(C#N)cc2)CC1 ZINC000189951169 1016793644 /nfs/dbraw/zinc/79/36/44/1016793644.db2.gz PHCFEERDYFSOSY-SFHVURJKSA-N 0 0 332.403 3.538 10 30 EHEERN O=C(N[C@H]1CCOc2ccccc21)N1CCC(c2nccs2)CC1 ZINC000328742934 1019534862 /nfs/dbraw/zinc/53/48/62/1019534862.db2.gz JTULVWPSXPSHQZ-HNNXBMFYSA-N 0 0 343.452 3.760 10 30 EHEERN N#CC1(c2ccc(C(=O)n3ccccc3=Nc3ccccc3)cc2)CC1 ZINC000588388606 1020023418 /nfs/dbraw/zinc/02/34/18/1020023418.db2.gz MVTXYZYKZSWPNZ-UHFFFAOYSA-N 0 0 339.398 3.964 10 30 EHEERN CC(C)(C)c1csc([C@@H]2CN(C(=O)N[C@@H]3CC3(C)C)CCO2)n1 ZINC000328770774 1020767074 /nfs/dbraw/zinc/76/70/74/1020767074.db2.gz CQVVWDKJSOFOPA-NWDGAFQWSA-N 0 0 337.489 3.526 10 30 EHEERN N#Cc1ccc(C(F)(F)F)c(N2CC[C@H](Oc3cccnc3)C2)c1 ZINC000127245070 1021433948 /nfs/dbraw/zinc/43/39/48/1021433948.db2.gz DHDJHCINMSDWLE-AWEZNQCLSA-N 0 0 333.313 3.630 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)C[C@@H]1CCOc3ccccc31)CCC2 ZINC000328644174 1022452989 /nfs/dbraw/zinc/45/29/89/1022452989.db2.gz AMDKGIIREXNIDV-HOTGVXAUSA-N 0 0 339.439 3.982 10 30 EHEERN CC(C)c1csc([C@@H]2CCCN(C(=O)N[C@@H]3CCO[C@@H]3C)C2)n1 ZINC000328912923 1022543976 /nfs/dbraw/zinc/54/39/76/1022543976.db2.gz HQWUTCHNLIFWCA-MGPQQGTHSA-N 0 0 337.489 3.537 10 30 EHEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C1CCOCC1 ZINC000328984322 1022559722 /nfs/dbraw/zinc/55/97/22/1022559722.db2.gz SUOAADQFHCCKBC-QGPMSJSTSA-N 0 0 349.475 3.703 10 30 EHEERN Cc1nc(C(F)(F)F)c(CON=CC(=O)Nc2ccccc2)s1 ZINC000588452329 1023022606 /nfs/dbraw/zinc/02/26/06/1023022606.db2.gz AUASOQDCHZANGD-UHFFFAOYSA-N 0 0 343.330 3.611 10 30 EHEERN Cc1csc([C@H]2CCCCN2C(=O)CNC(=O)c2ccsc2)n1 ZINC000329661445 1024016652 /nfs/dbraw/zinc/01/66/52/1024016652.db2.gz OMPKUZXNNYKCMI-CYBMUJFWSA-N 0 0 349.481 3.571 10 30 EHEERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)c1cc2n(n1)CCCO2 ZINC000329913210 1024247389 /nfs/dbraw/zinc/24/73/89/1024247389.db2.gz XFDDQEHACGKILF-KRWDZBQOSA-N 0 0 325.412 3.684 10 30 EHEERN Cc1ccc(NC(=O)N2C[C@H]3CCC[C@@H]32)c(-c2nc(C3CC3)no2)c1 ZINC000329916778 1024249278 /nfs/dbraw/zinc/24/92/78/1024249278.db2.gz DWHRVJFEIJHXBI-CJNGLKHVSA-N 0 0 338.411 3.952 10 30 EHEERN CC(C)n1cnnc1-c1ccccc1NC(=O)N1C[C@H]2CCC[C@H]21 ZINC000329973289 1024271380 /nfs/dbraw/zinc/27/13/80/1024271380.db2.gz WTFMQBBDTFQUST-CZUORRHYSA-N 0 0 325.416 3.556 10 30 EHEERN C[C@H](NC(=O)[C@H]1CCO[C@@H]1c1cccnc1)[C@@H]1COc2ccccc21 ZINC000330106308 1024322734 /nfs/dbraw/zinc/32/27/34/1024322734.db2.gz KRPTWIDEOIKHAR-LZLXCTOHSA-N 0 0 338.407 3.680 10 30 EHEERN C[C@H]1OCC[C@H]1NC(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1 ZINC000330270404 1024380849 /nfs/dbraw/zinc/38/08/49/1024380849.db2.gz UCYFAMOKAJABGN-SIIHOXLZSA-N 0 0 327.428 3.786 10 30 EHEERN CS[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C1 ZINC000329027194 1025573732 /nfs/dbraw/zinc/57/37/32/1025573732.db2.gz OJLLHAJGAMULKN-IXYNUQLISA-N 0 0 337.489 3.519 10 30 EHEERN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)NCC1(C2CC2)CCC1 ZINC000329285411 1025722612 /nfs/dbraw/zinc/72/26/12/1025722612.db2.gz OHCSRBLJKDIMNS-LMMKCTJWSA-N 0 0 334.504 3.886 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H]2CCc3cc(Cl)ccc32)no1 ZINC000329350027 1025769556 /nfs/dbraw/zinc/76/95/56/1025769556.db2.gz DDPYETODGPGEFM-GJZGRUSLSA-N 0 0 346.818 3.770 10 30 EHEERN CCN1CCOC[C@@H]1C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000329391861 1025803632 /nfs/dbraw/zinc/80/36/32/1025803632.db2.gz RWTXGVWSDCNFBN-IAGOWNOFSA-N 0 0 344.455 3.500 10 30 EHEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(F)cc1F ZINC000186005691 1025900614 /nfs/dbraw/zinc/90/06/14/1025900614.db2.gz DZJZUMLCKWQQIB-NSHDSACASA-N 0 0 325.322 3.590 10 30 EHEERN O=C(NC1C2CC3CC(C2)CC1C3)C1CCC2(CC1)NC(=O)NC2=O ZINC000329530322 1025969540 /nfs/dbraw/zinc/96/95/40/1025969540.db2.gz VSDHUUBZNCQKHA-UHFFFAOYSA-N 0 0 345.443 3.581 10 30 EHEERN CC(C)c1nc([C@H](C)Nc2cnn(-c3ncccc3C#N)c2)cs1 ZINC000186506261 1027403103 /nfs/dbraw/zinc/40/31/03/1027403103.db2.gz COXUQEJFDWHSGP-LBPRGKRZSA-N 0 0 338.440 3.892 10 30 EHEERN C#CCCCCNC(=O)N1C[C@@H](c2ccccc2Cl)OC[C@H]1C ZINC000155008821 1029387479 /nfs/dbraw/zinc/38/74/79/1029387479.db2.gz XFEFUSDROQHXGT-PBHICJAKSA-N 0 0 334.847 3.615 10 30 EHEERN C[C@]1(NC(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)CCO[C@H]1C1CC1 ZINC000329297767 1030319317 /nfs/dbraw/zinc/31/93/17/1030319317.db2.gz LBYADFYHSHIZJW-NYTXWWLZSA-N 0 0 348.409 3.816 10 30 EHEERN N#C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000332971083 1032021178 /nfs/dbraw/zinc/02/11/78/1032021178.db2.gz AQRLLAHBUIFYGQ-JUSBFGHESA-N 0 0 337.467 3.904 10 30 EHEERN N#Cc1ccc(CNC(=O)N[C@H](c2ccccc2)c2ccncc2)cc1 ZINC000103179069 1036882989 /nfs/dbraw/zinc/88/29/89/1036882989.db2.gz NIOHXZBKDKCRPE-HXUWFJFHSA-N 0 0 342.402 3.542 10 30 EHEERN O=C(NCc1ccc(C2CC2)cc1F)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330205121 1038657890 /nfs/dbraw/zinc/65/78/90/1038657890.db2.gz DFGRZKSHZUJTRI-YLJYHZDGSA-N 0 0 346.446 3.744 10 30 EHEERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N[C@@H]1CCOC2(CCC2)C1 ZINC000330217268 1038799487 /nfs/dbraw/zinc/79/94/87/1038799487.db2.gz IIUZQZWPSGXGKD-MJBXVCDLSA-N 0 0 348.409 3.960 10 30 EHEERN Cc1cc(Br)c(F)cc1NC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000408297091 1042988809 /nfs/dbraw/zinc/98/88/09/1042988809.db2.gz FRPYNYCHLAJQDN-JOYOIKCWSA-N 0 0 340.196 3.710 10 30 EHEERN CC(C)[C@@H](Nc1cccc(F)c1C#N)c1nc(-c2cccnc2)no1 ZINC000301704110 1128603067 /nfs/dbraw/zinc/60/30/67/1128603067.db2.gz HQJTZLTXQYNHLF-MRXNPFEDSA-N 0 0 337.358 3.952 10 30 EHEERN N#C[C@H](C(=O)Nc1ccccc1)C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000103798683 1133202602 /nfs/dbraw/zinc/20/26/02/1133202602.db2.gz CGGALAJTCARUTD-INIZCTEOSA-N 0 0 347.349 3.578 10 30 EHEERN Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@H](C#N)Cc1ccc(F)cc1 ZINC000102126154 1135461175 /nfs/dbraw/zinc/46/11/75/1135461175.db2.gz UQWFKVAWDJDTBH-AWEZNQCLSA-N 0 0 342.326 3.582 10 30 EHEERN COc1ccc(/C=C/C(=O)c2ccc(OC)c(NC(C)=O)c2)cc1F ZINC000102200752 1135488518 /nfs/dbraw/zinc/48/85/18/1135488518.db2.gz FZBGPKBYEJQUJO-QPJJXVBHSA-N 0 0 343.354 3.697 10 30 EHEERN CCOc1ccccc1/C=C/C(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000102200885 1135488565 /nfs/dbraw/zinc/48/85/65/1135488565.db2.gz WAJPDNOWVJERPW-PKNBQFBNSA-N 0 0 339.391 3.948 10 30 EHEERN CCCn1nccc1NC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C ZINC000102914878 1135692855 /nfs/dbraw/zinc/69/28/55/1135692855.db2.gz NWVFENCFJOGYCE-UHFFFAOYSA-N 0 0 347.422 3.825 10 30 EHEERN C=CCN(CC=C)C(=O)Cn1c2ccccc2nc1-c1cccs1 ZINC000040239180 213283666 /nfs/dbraw/zinc/28/36/66/213283666.db2.gz HPUVVRZTANFPMW-UHFFFAOYSA-N 0 0 337.448 3.965 10 30 EHEERN FC(F)(F)c1ccccc1/C=N\NC(=S)NCc1ccccc1 ZINC000033316037 202257212 /nfs/dbraw/zinc/25/72/12/202257212.db2.gz HUQDBDOITZOPHN-NHDPSOOVSA-N 0 0 337.370 3.704 10 30 EHEERN C=C(C)C(=O)NCCc1nc2ccccc2n1C/C=C/c1ccccc1 ZINC000035145022 213010770 /nfs/dbraw/zinc/01/07/70/213010770.db2.gz QNIHPTAXYLRNGE-DHZHZOJOSA-N 0 0 345.446 3.985 10 30 EHEERN CC(=O)N(C)c1ccc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000000498295 201480095 /nfs/dbraw/zinc/48/00/95/201480095.db2.gz KFXZBFKESAEGCT-VCHYOVAHSA-N 0 0 331.759 3.982 10 30 EHEERN O=[N+]([O-])c1cc(/N=C/c2ccccn2)ccc1/N=C/c1ccccn1 ZINC000004979414 201630101 /nfs/dbraw/zinc/63/01/01/201630101.db2.gz FHKBFXPBYUHPFU-ADYPVIEZSA-N 0 0 331.335 3.886 10 30 EHEERN N#Cc1ccc(C2(O)CN(C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000071973786 203155567 /nfs/dbraw/zinc/15/55/67/203155567.db2.gz ZPHQDLXDZDXFCX-UHFFFAOYSA-N 0 0 340.426 3.851 10 30 EHEERN CC1CCN(S(=O)(=O)c2ccc(/N=C/c3cccs3)cc2)CC1 ZINC000100040254 203988518 /nfs/dbraw/zinc/98/85/18/203988518.db2.gz SDYYLOXAMJUEKO-QGOAFFKASA-N 0 0 348.493 3.919 10 30 EHEERN COCCN1C(=O)/C(=C\c2ccsc2)S/C1=N/c1ccccc1 ZINC000101621337 204014839 /nfs/dbraw/zinc/01/48/39/204014839.db2.gz QWELRPCWRVMYBZ-KCWKZLLFSA-N 0 0 344.461 3.999 10 30 EHEERN C/C=C\C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000252503708 518557376 /nfs/dbraw/zinc/55/73/76/518557376.db2.gz VFWHAQPIJRRWSO-IHWYPQMZSA-N 0 0 332.162 3.964 10 30 EHEERN Cc1cc(C(=O)/C=C/c2ccc(COc3ccc(F)cc3)o2)n(C)n1 ZINC000033523201 526197071 /nfs/dbraw/zinc/19/70/71/526197071.db2.gz MJOSNGIQTCSOSH-MDZDMXLPSA-N 0 0 340.354 3.936 10 30 EHEERN Cn1nccc1C(=O)/C=C/c1ccc(COc2ccc(F)cc2)o1 ZINC000033523459 527593026 /nfs/dbraw/zinc/59/30/26/527593026.db2.gz UZJLOSXONQPBBJ-CMDGGOBGSA-N 0 0 326.327 3.627 10 30 EHEERN Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1sccc1C#N ZINC000328617890 564136940 /nfs/dbraw/zinc/13/69/40/564136940.db2.gz DDZXJHSXXALWCQ-GFCCVEGCSA-N 0 0 331.466 3.577 10 30 EHEERN CC(=O)N[C@H](c1nc(Cc2ccc(Cl)cc2)no1)C1CCOCC1 ZINC000328644339 564137133 /nfs/dbraw/zinc/13/71/33/564137133.db2.gz ZCYYXLFDFBOHKA-INIZCTEOSA-N 0 0 349.818 3.758 10 30 EHEERN CCOc1ccc2c(c1)[C@H](NC(=O)/C=C/c1cccc(C#N)c1)CCO2 ZINC000187036227 1014810454 /nfs/dbraw/zinc/81/04/54/1014810454.db2.gz LWKIUGZCHYCCAQ-MBNRZODZSA-N 0 0 348.402 3.610 10 30 EHEERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000328622761 1016253395 /nfs/dbraw/zinc/25/33/95/1016253395.db2.gz YKYULVXGEOYDLC-XBEUXYKBSA-N 0 0 329.227 3.530 10 30 EHEERN N#Cc1cccnc1-n1cc(NCc2ccc(Cl)cc2F)cn1 ZINC000189433281 1016525007 /nfs/dbraw/zinc/52/50/07/1016525007.db2.gz WLSIHHXRDPDOTM-UHFFFAOYSA-N 0 0 327.750 3.544 10 30 EHEERN O=C(N[C@H]1CCCc2ccc(F)cc21)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330027300 1016859256 /nfs/dbraw/zinc/85/92/56/1016859256.db2.gz MWAPVHQINUUHIL-ZAAXVRCTSA-N 0 0 346.446 3.744 10 30 EHEERN Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc(Cl)c1Br ZINC000408005921 1016859792 /nfs/dbraw/zinc/85/97/92/1016859792.db2.gz UAPOIPTTXMPENN-JOYOIKCWSA-N 0 0 341.636 3.833 10 30 EHEERN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc(Cl)c1Br ZINC000408005919 1016861402 /nfs/dbraw/zinc/86/14/02/1016861402.db2.gz UAPOIPTTXMPENN-BXKDBHETSA-N 0 0 341.636 3.833 10 30 EHEERN O=C(NCc1cc2ccccc2s1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330073981 1017533431 /nfs/dbraw/zinc/53/34/31/1017533431.db2.gz KXHWXYHZWDFHPN-HNAYVOBHSA-N 0 0 344.480 3.942 10 30 EHEERN COc1ccc(/C=C\C(=O)OCC2(C#N)CCCCC2)cc1OC ZINC000588411540 1020885629 /nfs/dbraw/zinc/88/56/29/1020885629.db2.gz CHMXZNWDGNBFFT-CLFYSBASSA-N 0 0 329.396 3.734 10 30 EHEERN Cc1ccccc1C1CC(Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000184423530 1021954004 /nfs/dbraw/zinc/95/40/04/1021954004.db2.gz LWKVTXVFSQRJEB-UHFFFAOYSA-N 0 0 329.407 3.806 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCCC[C@H]1CC(C)C)CCC2 ZINC000328638064 1022451021 /nfs/dbraw/zinc/45/10/21/1022451021.db2.gz BFUCWCOANYZBLA-IRXDYDNUSA-N 0 0 332.492 3.884 10 30 EHEERN CC(C)[C@H](NC(=O)C[C@@H]1CCCCC(=O)N1)c1nc(C2CC2)no1 ZINC000328672638 1022460708 /nfs/dbraw/zinc/46/07/08/1022460708.db2.gz OKWOCFIVGDHCFZ-WFASDCNBSA-N 0 0 334.420 3.890 10 30 EHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCC[C@]2(CC=CCC2)C1 ZINC000328744869 1022478701 /nfs/dbraw/zinc/47/87/01/1022478701.db2.gz OCONEIKVGVPQTK-CRAIPNDOSA-N 0 0 331.460 3.764 10 30 EHEERN O=C(C[C@@H]1CCCCNC1=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000328772513 1022485772 /nfs/dbraw/zinc/48/57/72/1022485772.db2.gz BFAAHZLPJFOOIG-CVEARBPZSA-N 0 0 329.444 3.616 10 30 EHEERN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328729423 1022488368 /nfs/dbraw/zinc/48/83/68/1022488368.db2.gz FMVIWPZDNCQRTD-PVAVHDDUSA-N 0 0 341.455 3.820 10 30 EHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCC[C@H]1C1CCCCC1 ZINC000328730007 1022488719 /nfs/dbraw/zinc/48/87/19/1022488719.db2.gz FVYOPWHGECGVSG-JKSUJKDBSA-N 0 0 333.476 3.987 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCOc3ccccc31)CCC2 ZINC000328787096 1022502356 /nfs/dbraw/zinc/50/23/56/1022502356.db2.gz LAIYHFKJEPBRME-HOCLYGCPSA-N 0 0 325.412 3.592 10 30 EHEERN O=C(N[C@@H]1CCCC12CCOCC2)N1CCC[C@@H](c2nccs2)C1 ZINC000328802757 1022506846 /nfs/dbraw/zinc/50/68/46/1022506846.db2.gz MMRJYLRIDKRXJO-HUUCEWRRSA-N 0 0 349.500 3.586 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000328963158 1022931020 /nfs/dbraw/zinc/93/10/20/1022931020.db2.gz RDFCRNVYRBUOBH-BOFKIOBHSA-N 0 0 342.443 3.700 10 30 EHEERN CCc1nc(C2(NCC(=O)NC3CCCCCC3)CCCC2)no1 ZINC000329685284 1024066155 /nfs/dbraw/zinc/06/61/55/1024066155.db2.gz YMRKVZZYDHFLRN-UHFFFAOYSA-N 0 0 334.464 3.670 10 30 EHEERN CC1(C)CCCC[C@@H]1CC(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000329994616 1024279896 /nfs/dbraw/zinc/27/98/96/1024279896.db2.gz ZMTMXPMJKUSRQD-PMPSAXMXSA-N 0 0 348.466 3.956 10 30 EHEERN Cc1nccc(NC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)n1 ZINC000330099298 1024320225 /nfs/dbraw/zinc/32/02/25/1024320225.db2.gz CXTILQRTUBZJRI-OAHLLOKOSA-N 0 0 338.411 3.948 10 30 EHEERN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CSc2ccccc21 ZINC000329012131 1025569550 /nfs/dbraw/zinc/56/95/50/1025569550.db2.gz IMJRIPAQRUZNSL-CKEIUWERSA-N 0 0 343.452 3.691 10 30 EHEERN COc1cc(C=NOCc2ccc(C)nc2C)ccc1OC(F)F ZINC000588510149 1025747937 /nfs/dbraw/zinc/74/79/37/1025747937.db2.gz BSIPVRCSYRBNMO-UHFFFAOYSA-N 0 0 336.338 3.859 10 30 EHEERN Cc1noc([C@@H]2CCCCN2C(=O)N[C@H]2CCCc3ccccc32)n1 ZINC000329370226 1025787057 /nfs/dbraw/zinc/78/70/57/1025787057.db2.gz LUWKZQBELSGZQX-IRXDYDNUSA-N 0 0 340.427 3.897 10 30 EHEERN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)C[C@H]2CCC[C@H](C)C2)C1 ZINC000329556793 1025996061 /nfs/dbraw/zinc/99/60/61/1025996061.db2.gz QJLILGOHFJBNCP-CWRNSKLLSA-N 0 0 346.475 3.940 10 30 EHEERN Cc1cccc2[nH]cc(CCNC(=O)Nc3ccc(CC#N)cc3)c21 ZINC000103233801 1026060821 /nfs/dbraw/zinc/06/08/21/1026060821.db2.gz XMQNBQUGEQSUFA-UHFFFAOYSA-N 0 0 332.407 3.907 10 30 EHEERN N#CCc1ccc(NC(=O)NC2CCN(c3cccs3)CC2)cc1 ZINC000130345406 1027660240 /nfs/dbraw/zinc/66/02/40/1027660240.db2.gz XJSJFNOZWXHECL-UHFFFAOYSA-N 0 0 340.452 3.605 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000333584380 1028170969 /nfs/dbraw/zinc/17/09/69/1028170969.db2.gz KNJSSDHYDBUYQC-LPHOPBHVSA-N 0 0 331.504 3.762 10 30 EHEERN O=C(Nc1nc2c(s1)CCCC2)N[C@@H]1CCN(c2ccccc2)C1 ZINC000329167969 1029937735 /nfs/dbraw/zinc/93/77/35/1029937735.db2.gz IVWBHGRUJPQJJC-CYBMUJFWSA-N 0 0 342.468 3.627 10 30 EHEERN CON=Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)cc1 ZINC000588583293 1030823638 /nfs/dbraw/zinc/82/36/38/1030823638.db2.gz COCUDPVJHANJST-CQSZACIVSA-N 0 0 342.361 3.718 10 30 EHEERN Cc1nc(C2CCCC2)sc1C(=O)NCCn1cnnc1C1CC1 ZINC000329599041 1031270480 /nfs/dbraw/zinc/27/04/80/1031270480.db2.gz DHZCFCDHISYKBM-UHFFFAOYSA-N 0 0 345.472 3.583 10 30 EHEERN Cc1ccc(Cl)c2ccc(NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]34)nc12 ZINC000329602508 1031286199 /nfs/dbraw/zinc/28/61/99/1031286199.db2.gz YBMYNCCPPIGWKX-XWCIJXRUSA-N 0 0 346.814 3.836 10 30 EHEERN C=C(C)C[C@H](C)C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000185802054 1035513715 /nfs/dbraw/zinc/51/37/15/1035513715.db2.gz CPIGDSRISMDGCH-IRXDYDNUSA-N 0 0 340.467 3.732 10 30 EHEERN N#C[C@H](C(=O)c1ccc(-n2cccc2)c(F)c1)c1nc2ccccc2[nH]1 ZINC000103796231 1036963557 /nfs/dbraw/zinc/96/35/57/1036963557.db2.gz NKMDBZHQJPVJGJ-CQSZACIVSA-N 0 0 344.349 3.983 10 30 EHEERN CCC(CC)CN(CCC#N)C(=O)c1cc(C)n(-c2ccccc2)n1 ZINC000104546271 1037058423 /nfs/dbraw/zinc/05/84/23/1037058423.db2.gz SKUWOECHQHJZHF-UHFFFAOYSA-N 0 0 338.455 3.973 10 30 EHEERN CN(c1ccccc1NC(=O)N[C@H]1CCC[C@H]1C#N)C1CCCC1 ZINC000332893725 1040177120 /nfs/dbraw/zinc/17/71/20/1040177120.db2.gz HQRVHEOZMMVWKB-HOCLYGCPSA-N 0 0 326.444 3.879 10 30 EHEERN Cc1ccc([C@H]2OCCC[C@H]2C(=O)N2CCC(C)(C#N)CC2)cc1 ZINC000408163743 1041988326 /nfs/dbraw/zinc/98/83/26/1041988326.db2.gz DWQZSZOWHDBFJP-QZTJIDSGSA-N 0 0 326.440 3.615 10 30 EHEERN Cc1cc(NC(=O)N[C@H]2CCC[C@H]2C#N)cc(C)c1Br ZINC000408367215 1043832756 /nfs/dbraw/zinc/83/27/56/1043832756.db2.gz SFDKMEWSIWCYKY-AAEUAGOBSA-N 0 0 336.233 3.880 10 30 EHEERN N#Cc1ccc(N2CCC(c3noc(C4CC4)n3)CC2)cc1Cl ZINC000302161145 1128623674 /nfs/dbraw/zinc/62/36/74/1128623674.db2.gz HJYLEFVEEIHFBU-UHFFFAOYSA-N 0 0 328.803 3.856 10 30 EHEERN C#Cc1cccc(N(CC)C(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)c1 ZINC000103027629 1132608498 /nfs/dbraw/zinc/60/84/98/1132608498.db2.gz VPYIIJNPENPBIC-MGPUTAFESA-N 0 0 346.430 3.929 10 30 EHEERN Cc1ccc(/C=N\c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 ZINC000100141158 206215922 /nfs/dbraw/zinc/21/59/22/206215922.db2.gz WRXWDDJYKGNUCT-RGEXLXHISA-N 0 0 328.437 3.530 10 30 EHEERN COc1ccc(C(=O)/C=C\c2sccc2C2OCCO2)cc1OC ZINC000033380826 523546551 /nfs/dbraw/zinc/54/65/51/523546551.db2.gz XPASXBWDCXZOIE-XQRVVYSFSA-N 0 0 346.404 3.707 10 30 EHEERN COc1ccccc1NC=CC(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000102996949 524534019 /nfs/dbraw/zinc/53/40/19/524534019.db2.gz CPKAFLZWIHKBOH-KTKRTIGZSA-N 0 0 343.379 3.530 10 30 EHEERN CCc1ccccc1NC(=O)C(=O)[C@H](C#N)c1ccccc1Cl ZINC000001622650 563397398 /nfs/dbraw/zinc/39/73/98/563397398.db2.gz PWTHVOHHPCLRNH-CQSZACIVSA-N 0 0 326.783 3.717 10 30 EHEERN Cc1ccc([C@H](NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)C2CC2)cc1 ZINC000330103110 1017804258 /nfs/dbraw/zinc/80/42/58/1017804258.db2.gz GMHZNXNZTFDVCU-SVFBPWRDSA-N 0 0 342.483 3.987 10 30 EHEERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N[C@H]1CCCc2c[nH]nc21 ZINC000330128334 1017975611 /nfs/dbraw/zinc/97/56/11/1017975611.db2.gz JKKGJKDKDIDOFI-DRZSPHRISA-N 0 0 344.381 3.659 10 30 EHEERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1CCc2n[nH]cc2C1 ZINC000328774807 1020846610 /nfs/dbraw/zinc/84/66/10/1020846610.db2.gz BXXJXEYATLSWBQ-GVXVVHGQSA-N 0 0 329.366 3.840 10 30 EHEERN N#Cc1ccccc1Cn1cccc1CN1CCO[C@@H](c2ccco2)C1 ZINC000187425247 1021320807 /nfs/dbraw/zinc/32/08/07/1021320807.db2.gz UWYVTCUJMFDGFI-OAQYLSRUSA-N 0 0 347.418 3.575 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000334108988 1022385778 /nfs/dbraw/zinc/38/57/78/1022385778.db2.gz AGINKAQVLOCCBC-OHFALNGGSA-N 0 0 331.847 3.968 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@H]1c1cccs1)CCC2 ZINC000328641082 1022451385 /nfs/dbraw/zinc/45/13/85/1022451385.db2.gz DADLHXZSNVFYTH-GJZGRUSLSA-N 0 0 344.484 3.882 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@H](CC(C)C)C1)CCC2 ZINC000328702009 1022471505 /nfs/dbraw/zinc/47/15/05/1022471505.db2.gz JLNKOQMYWWMWIN-SJORKVTESA-N 0 0 332.492 3.741 10 30 EHEERN CC(C)(C)c1csc(NC(=O)N[C@@H]2CCC(=O)NC23CCC3)n1 ZINC000328753049 1022479939 /nfs/dbraw/zinc/47/99/39/1022479939.db2.gz RTBUBKPYDRWUST-SNVBAGLBSA-N 0 0 336.461 3.808 10 30 EHEERN O=C(C[C@H]1CCOc2ccccc21)N[C@H]1CCO[C@@H]1c1cccnc1 ZINC000328942126 1022537944 /nfs/dbraw/zinc/53/79/44/1022537944.db2.gz ABLLOFQJFUNFIT-CFLQYTFWSA-N 0 0 338.407 3.825 10 30 EHEERN COc1ccc([C@@H]2CCCCCN2C(=O)N[C@@H]2CCO[C@@H]2C)cc1 ZINC000328981204 1022558435 /nfs/dbraw/zinc/55/84/35/1022558435.db2.gz YCMUJBIQYITXOQ-OLMNPRSZSA-N 0 0 332.444 3.704 10 30 EHEERN Cn1cc(NC(=O)NC2CCC(C(F)(F)F)CC2)c(C2CC2)n1 ZINC000329835026 1033133820 /nfs/dbraw/zinc/13/38/20/1033133820.db2.gz UTACVXSANPLHAU-UHFFFAOYSA-N 0 0 330.354 3.745 10 30 EHEERN O=C(N[C@@H]1CC[C@@H]2CCCC[C@H]2C1)N1CCC(c2cc[nH]n2)CC1 ZINC000329859256 1024225963 /nfs/dbraw/zinc/22/59/63/1024225963.db2.gz WOFQXGGGTXYAJR-BHYGNILZSA-N 0 0 330.476 3.862 10 30 EHEERN C[C@@H]1CN(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)C[C@@H](C2CC2)O1 ZINC000329903794 1024242618 /nfs/dbraw/zinc/24/26/18/1024242618.db2.gz INYDSBFQSCHUHX-QBIMZIAESA-N 0 0 344.455 3.702 10 30 EHEERN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329052046 1025581323 /nfs/dbraw/zinc/58/13/23/1025581323.db2.gz WTLUSPKWFFUYSG-ZNFSNMQZSA-N 0 0 331.460 3.813 10 30 EHEERN CC(C)(C#N)c1ccc(NC(=O)N2CC[C@H]3OCCC[C@H]3C2)cc1 ZINC000121607093 1025608884 /nfs/dbraw/zinc/60/88/84/1025608884.db2.gz COLGDQZSUYXLPC-WMLDXEAASA-N 0 0 327.428 3.521 10 30 EHEERN Cc1cccn2c(=O)c(C(=O)NC[C@@H]3C[C@H]3C3CCCCC3)cnc12 ZINC000329334040 1025759248 /nfs/dbraw/zinc/75/92/48/1025759248.db2.gz KMYNLOUHOHNAIY-HOTGVXAUSA-N 0 0 339.439 3.524 10 30 EHEERN C=CCOc1ccc(/C=C\C(=O)OCC2(C)CCOCC2)cc1OC ZINC000588510424 1025764152 /nfs/dbraw/zinc/76/41/52/1025764152.db2.gz IOWXESKGZVRLKT-VURMDHGXSA-N 0 0 346.423 3.633 10 30 EHEERN Cc1noc([C@H]2CCCCN2C(=O)NC2C3CC4CC(C3)CC2C4)n1 ZINC000329420013 1025825146 /nfs/dbraw/zinc/82/51/46/1025825146.db2.gz FCEIHNZLBXUNQD-OBYDGYHJSA-N 0 0 344.459 3.644 10 30 EHEERN C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000329495945 1025923156 /nfs/dbraw/zinc/92/31/56/1025923156.db2.gz XERVMKQHNAOJBW-QRTARXTBSA-N 0 0 331.460 3.627 10 30 EHEERN CCC[C@@H](C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1ccccn1 ZINC000329525056 1025957111 /nfs/dbraw/zinc/95/71/11/1025957111.db2.gz SLAUDDCFYKUMHN-IXDOHACOSA-N 0 0 343.471 3.713 10 30 EHEERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)C3(C#N)CCCCC3)C2)cc1 ZINC000122194903 1026265953 /nfs/dbraw/zinc/26/59/53/1026265953.db2.gz IZZOTGNDCPKBRX-WBVHZDCISA-N 0 0 326.440 3.874 10 30 EHEERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000246722018 1028682793 /nfs/dbraw/zinc/68/27/93/1028682793.db2.gz OHQZZRAZKLYBBP-MFMILTCTSA-N 0 0 334.419 3.582 10 30 EHEERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@@H]3CCCC[C@H]3C(C)C)C2)no1 ZINC000329204031 1030015044 /nfs/dbraw/zinc/01/50/44/1030015044.db2.gz WORUQZPIKVGOGM-YESZJQIVSA-N 0 0 348.491 3.761 10 30 EHEERN CC(C)(C#N)c1ccc(NC(=O)N2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000114901666 1030321262 /nfs/dbraw/zinc/32/12/62/1030321262.db2.gz LCIXJKAFYRTLCI-AWEZNQCLSA-N 0 0 337.427 3.622 10 30 EHEERN Cc1cccc2c1OCC[C@@H]2NC(=O)CSc1ccc(C#N)cc1 ZINC000190610189 1030642369 /nfs/dbraw/zinc/64/23/69/1030642369.db2.gz UJXBTEGUTYUSIS-KRWDZBQOSA-N 0 0 338.432 3.599 10 30 EHEERN N#Cc1ccccc1Cn1cccc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000249193808 1030797443 /nfs/dbraw/zinc/79/74/43/1030797443.db2.gz PNGXDUPFCFJTHG-RTWAWAEBSA-N 0 0 335.451 3.551 10 30 EHEERN Cc1nc(C)c(CNC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)s1 ZINC000329658702 1031653700 /nfs/dbraw/zinc/65/37/00/1031653700.db2.gz NLHGQMGHDTVHCU-KBXCAEBGSA-N 0 0 328.437 3.957 10 30 EHEERN C=C[C@@H](CC(=O)N1CCC(Cc2nccn2C)CC1)c1ccccc1 ZINC000179445295 1031776918 /nfs/dbraw/zinc/77/69/18/1031776918.db2.gz YPHQYYIQXQXUPA-SFHVURJKSA-N 0 0 337.467 3.561 10 30 EHEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N[C@H](C)c1cccs1 ZINC000105506901 1033476858 /nfs/dbraw/zinc/47/68/58/1033476858.db2.gz MGDYVQZHWUZWMA-GFCCVEGCSA-N 0 0 346.408 3.641 10 30 EHEERN CC(C)c1ccc(C(=O)N2CCC[C@]3(CCCCO3)[C@H]2C#N)c(O)c1 ZINC000408409606 1039651882 /nfs/dbraw/zinc/65/18/82/1039651882.db2.gz AGVQTZTUOVJQTF-UYAOXDASSA-N 0 0 342.439 3.583 10 30 EHEERN CSc1c(F)cccc1C(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000408412344 1039724936 /nfs/dbraw/zinc/72/49/36/1039724936.db2.gz ADRJHODIGHGUBZ-MAUKXSAKSA-N 0 0 348.443 3.615 10 30 EHEERN N#C[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000332903074 1040183258 /nfs/dbraw/zinc/18/32/58/1040183258.db2.gz QJXMXLGUNGRLDI-USXIJHARSA-N 0 0 339.439 3.814 10 30 EHEERN CSc1cc2c(cc1NC(=O)N1CC[C@@H]3CCC[C@H]31)OCCO2 ZINC000330238197 1040286941 /nfs/dbraw/zinc/28/69/41/1040286941.db2.gz HVDMQRWLZNZXGD-WCQYABFASA-N 0 0 334.441 3.600 10 30 EHEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1cc2c(cc1Br)CCC2 ZINC000408443388 1040776026 /nfs/dbraw/zinc/77/60/26/1040776026.db2.gz PFHAWFAOHYVPOZ-TZMCWYRMSA-N 0 0 348.244 3.752 10 30 EHEERN Cc1nc([C@H](C)NC(=O)N2CCC[C@H]2c2noc(C(C)C)n2)cs1 ZINC000330261669 1042661494 /nfs/dbraw/zinc/66/14/94/1042661494.db2.gz UKIXREGBNOVRON-GWCFXTLKSA-N 0 0 349.460 3.770 10 30 EHEERN C[C@H]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@H]1C ZINC000408339796 1043339345 /nfs/dbraw/zinc/33/93/45/1043339345.db2.gz MFFVUNXWZOROHZ-QEFXCSQDSA-N 0 0 341.455 3.688 10 30 EHEERN N#Cc1cc(Cl)ccc1N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000301165696 1128576675 /nfs/dbraw/zinc/57/66/75/1128576675.db2.gz CQCYLJPYLYMWLZ-UHFFFAOYSA-N 0 0 345.874 3.831 10 30 EHEERN C=CC[C@@H]1N(C(=O)NC[C@H]2CCCn3ccnc32)CCCC1(C)C ZINC000333205754 1137958161 /nfs/dbraw/zinc/95/81/61/1137958161.db2.gz OOVQSEMWJIJRHR-CVEARBPZSA-N 0 0 330.476 3.537 10 30 EHEERN Cc1nc([C@H]2CCCN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)C2)sc1C ZINC000334107783 1138371682 /nfs/dbraw/zinc/37/16/82/1138371682.db2.gz ZHVGLMKRPRZOAQ-JYJNAYRXSA-N 0 0 346.500 3.731 10 30 EHEERN COc1ccc(/C=C/C(=O)c2ccc(OC)c(OC)c2OC)cc1 ZINC000027441544 202154945 /nfs/dbraw/zinc/15/49/45/202154945.db2.gz LLOMFMKNJPVRPK-YRNVUSSQSA-N 0 0 328.364 3.617 10 30 EHEERN N/C(CCN(Cc1ccc(Br)cc1)c1ccccc1)=N\O ZINC000019503921 212034978 /nfs/dbraw/zinc/03/49/78/212034978.db2.gz MYSROHGARLRQPO-UHFFFAOYSA-N 0 0 348.244 3.592 10 30 EHEERN C=CCN(Cc1ccco1)Cc1cc(=O)n2c3c(cccc13)CCC2 ZINC000055132002 518788132 /nfs/dbraw/zinc/78/81/32/518788132.db2.gz ZFYVRGLJKJYSOH-UHFFFAOYSA-N 0 0 334.419 3.729 10 30 EHEERN CCCCOc1ccc(/C=N\NC(=S)NC2CCCCC2)cc1 ZINC000038203798 520855916 /nfs/dbraw/zinc/85/59/16/520855916.db2.gz FBMVWHBSYSZCEE-RGEXLXHISA-N 0 0 333.501 3.996 10 30 EHEERN CC[C@H](SC)C(=O)N[C@H](c1nc(C(C)C)no1)C1CCOCC1 ZINC000328611437 522901104 /nfs/dbraw/zinc/90/11/04/522901104.db2.gz LOYFSQCUQIKPFC-STQMWFEESA-N 0 0 341.477 3.759 10 30 EHEERN N#CCCN/N=C(/Cc1nc2ccccc2[nH]1)c1cccc(Cl)c1 ZINC000006554232 526459623 /nfs/dbraw/zinc/45/96/23/526459623.db2.gz SMRMBHUPPVUBPK-ULJHMMPZSA-N 0 0 337.814 3.666 10 30 EHEERN O=C(ON=Cc1ccc2c(c1)OCO2)c1c(Cl)cccc1Cl ZINC000263627484 564056504 /nfs/dbraw/zinc/05/65/04/564056504.db2.gz GRPUBNUQOKHXQQ-UHFFFAOYSA-N 0 0 338.146 3.913 10 30 EHEERN O=C(N[C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000328597906 1016243434 /nfs/dbraw/zinc/24/34/34/1016243434.db2.gz ASNCKKWYDYYVDV-ITQYTPKQSA-N 0 0 348.874 3.737 10 30 EHEERN Cc1nnc([C@@H](C)NC(=O)NC2CCC(C(F)(F)F)CC2)s1 ZINC000329779871 1032261509 /nfs/dbraw/zinc/26/15/09/1032261509.db2.gz MGTNFUCJOUHSAU-CUUXFQNZSA-N 0 0 336.383 3.532 10 30 EHEERN CON=Cc1ccc(C(=O)N2CC[C@H](c3cc(C)cc(C)c3)C2)cc1 ZINC000588432158 1021983917 /nfs/dbraw/zinc/98/39/17/1021983917.db2.gz YBEGCZFHZAOJLM-IBGZPJMESA-N 0 0 336.435 3.913 10 30 EHEERN Cc1noc(C2CC2)c1NC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328658691 1022456106 /nfs/dbraw/zinc/45/61/06/1022456106.db2.gz RMVYGKVACRSNQC-GOEBONIOSA-N 0 0 342.399 3.502 10 30 EHEERN C[C@H](CNC(=O)C[C@H]1CCCCC(=O)N1)N1CCc2sccc2C1 ZINC000328686403 1022468854 /nfs/dbraw/zinc/46/88/54/1022468854.db2.gz YEPXYFDZVHOOOK-UKRRQHHQSA-N 0 0 349.500 3.740 10 30 EHEERN Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](n3cccn3)C2)cc1F ZINC000328715526 1022476926 /nfs/dbraw/zinc/47/69/26/1022476926.db2.gz SWYAOZFHYVSUEH-GOEBONIOSA-N 0 0 330.407 3.644 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@H]1c1ccccc1)CCC2 ZINC000328729616 1022488889 /nfs/dbraw/zinc/48/88/89/1022488889.db2.gz WEEIKLDLQHZZON-ROUUACIJSA-N 0 0 338.455 3.820 10 30 EHEERN CC[C@H](NC(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1)c1cccs1 ZINC000328894270 1022528891 /nfs/dbraw/zinc/52/88/91/1022528891.db2.gz ARGFUOKFSJJKDP-HZSPNIEDSA-N 0 0 335.473 3.944 10 30 EHEERN COc1cc(C#N)cc(Cl)c1OC(=O)/C=C\c1ncccc1C ZINC000588451681 1023008873 /nfs/dbraw/zinc/00/88/73/1023008873.db2.gz URSWSNONVTVVOS-WAYWQWQTSA-N 0 0 328.755 3.543 10 30 EHEERN N#C[C@@H]1N(C(=O)c2cccn2C2CCCC2)CCC[C@]12CCCCO2 ZINC000408270262 1024091953 /nfs/dbraw/zinc/09/19/53/1024091953.db2.gz VIJPNDYENNIALF-AZUAARDMSA-N 0 0 341.455 3.671 10 30 EHEERN O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329718389 1024130592 /nfs/dbraw/zinc/13/05/92/1024130592.db2.gz YSUHQQPSOGDCLR-ZACQAIPSSA-N 0 0 345.418 3.632 10 30 EHEERN Cc1ccc(NC(=O)N2C[C@H]3CCC[C@H]32)c(-c2nc(C3CC3)no2)c1 ZINC000329916779 1024247838 /nfs/dbraw/zinc/24/78/38/1024247838.db2.gz DWHRVJFEIJHXBI-CZUORRHYSA-N 0 0 338.411 3.952 10 30 EHEERN CC(C)n1cnnc1-c1ccccc1NC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000329973288 1024271266 /nfs/dbraw/zinc/27/12/66/1024271266.db2.gz WTFMQBBDTFQUST-CJNGLKHVSA-N 0 0 325.416 3.556 10 30 EHEERN C[C@@H](CC1CCCCC1)C(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000329979280 1024272897 /nfs/dbraw/zinc/27/28/97/1024272897.db2.gz JGJNWRBSEZDVMM-XIRDDKMYSA-N 0 0 348.466 3.956 10 30 EHEERN O=C(N[C@H]1COc2ccc(Cl)cc21)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330059639 1024306096 /nfs/dbraw/zinc/30/60/96/1024306096.db2.gz LIKCVYSOMCREHY-JLJPHGGASA-N 0 0 344.798 3.903 10 30 EHEERN Cc1cnn(CC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000330151208 1024335378 /nfs/dbraw/zinc/33/53/78/1024335378.db2.gz LHCUGWYAGJKDMT-INIZCTEOSA-N 0 0 325.412 3.985 10 30 EHEERN COc1ccc([C@H](C)[C@@H](C)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000186003439 1024520843 /nfs/dbraw/zinc/52/08/43/1024520843.db2.gz MAKUIEGUHPNGKR-HUUCEWRRSA-N 0 0 347.422 3.752 10 30 EHEERN Cn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)[C@H]1CCCc2sccc21 ZINC000330329095 1024788111 /nfs/dbraw/zinc/78/81/11/1024788111.db2.gz MGNBEAHEUZKPIL-DZKIICNBSA-N 0 0 345.468 3.778 10 30 EHEERN CC[C@@H]1OCCC[C@@H]1C(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000330333478 1024929752 /nfs/dbraw/zinc/92/97/52/1024929752.db2.gz YIPMDDSLVXHBQH-KBPBESRZSA-N 0 0 333.432 3.878 10 30 EHEERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000329023305 1025572198 /nfs/dbraw/zinc/57/21/98/1025572198.db2.gz MVRCJZAMUCFVNQ-MZBWOGCUSA-N 0 0 331.460 3.906 10 30 EHEERN Cc1ccc([C@H]2OCCC[C@@H]2C(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000329140042 1025622461 /nfs/dbraw/zinc/62/24/61/1025622461.db2.gz SUGPVFDTIWJMDN-YESZJQIVSA-N 0 0 340.427 3.546 10 30 EHEERN Cc1ccc([C@H]2OCCC[C@@H]2C(=O)N[C@@H]2CCC(=O)N[C@@H]2C)cc1 ZINC000329149579 1025624747 /nfs/dbraw/zinc/62/47/47/1025624747.db2.gz YZBDPZFCAZCDEB-NOVWEMISSA-N 0 0 330.428 3.927 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)C1C2CC3CC(C2)CC1C3 ZINC000329193789 1025656071 /nfs/dbraw/zinc/65/60/71/1025656071.db2.gz ROXJUWXJDNTQJZ-OTRPTTJVSA-N 0 0 343.471 3.527 10 30 EHEERN O=C(C[C@@H]1CCCCNC1=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000329244967 1025692940 /nfs/dbraw/zinc/69/29/40/1025692940.db2.gz QGUOCHJOWROBMA-ROUUACIJSA-N 0 0 343.471 3.927 10 30 EHEERN C[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000329269841 1025707912 /nfs/dbraw/zinc/70/79/12/1025707912.db2.gz INFAHTKGMLVCLK-QLFBSQMISA-N 0 0 332.492 3.578 10 30 EHEERN CC1(CNC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)CCCCC1 ZINC000329291869 1025729343 /nfs/dbraw/zinc/72/93/43/1025729343.db2.gz QZDBQBVQOCAYAY-HOTGVXAUSA-N 0 0 336.501 3.640 10 30 EHEERN Cc1cc(NC(=O)NCC2C[C@H](C)O[C@@H](C)C2)nn1C1CCCCC1 ZINC000329541363 1025979906 /nfs/dbraw/zinc/97/99/06/1025979906.db2.gz XFVLUJZQUJEPQV-GJZGRUSLSA-N 0 0 348.491 3.648 10 30 EHEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc2ccccc2n1 ZINC000186026629 1026127164 /nfs/dbraw/zinc/12/71/64/1026127164.db2.gz DBNQVKDSDZMGEY-CQSZACIVSA-N 0 0 340.390 3.860 10 30 EHEERN C#CCOc1ccc([C@@H](C)N[C@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167952458 1026623941 /nfs/dbraw/zinc/62/39/41/1026623941.db2.gz YAWVJAKQMBHUJV-QAPCUYQASA-N 0 0 338.455 3.599 10 30 EHEERN C=C[C@H](CC(=O)NC1CCN(c2cccc(C)n2)CC1)c1ccccc1 ZINC000135036962 1028164209 /nfs/dbraw/zinc/16/42/09/1028164209.db2.gz IINUWBMBBZFGQU-GOSISDBHSA-N 0 0 349.478 3.835 10 30 EHEERN COc1ccc2c(c1OC)OC(=Cc1c[nH]c(-c3ccccc3)n1)C2=O ZINC000588618511 1033513855 /nfs/dbraw/zinc/51/38/55/1033513855.db2.gz WZTNZYIXUUBSOF-YBEGLDIGSA-N 0 0 348.358 3.710 10 30 EHEERN COc1ccc([C@H](C)NC(=O)Nc2ccc(F)c(C#N)c2)cc1F ZINC000102955678 1036772920 /nfs/dbraw/zinc/77/29/20/1036772920.db2.gz KDIIYVMTAFNUKP-JTQLQIEISA-N 0 0 331.322 3.728 10 30 EHEERN CCC(CC)CN(CCC#N)C(=O)[C@H](C)Oc1ccccc1C#N ZINC000104545449 1037060108 /nfs/dbraw/zinc/06/01/08/1037060108.db2.gz AHBWPJZTPNMTOO-HNNXBMFYSA-N 0 0 327.428 3.504 10 30 EHEERN Cc1ccc(CCC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cc1 ZINC000104486226 1037300206 /nfs/dbraw/zinc/30/02/06/1037300206.db2.gz ZOECJIPXMIEZNL-UHFFFAOYSA-N 0 0 348.446 3.869 10 30 EHEERN N#Cc1cnc2ccc(Cl)cc2c1N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000301712668 1041849347 /nfs/dbraw/zinc/84/93/47/1041849347.db2.gz LGKYZLCASGMHDQ-LIRRHRJNSA-N 0 0 341.842 3.891 10 30 EHEERN N#Cc1cc([N+](=O)[O-])ccc1N1CCC(Nc2ccc(F)cc2)CC1 ZINC000049980285 214038084 /nfs/dbraw/zinc/03/80/84/214038084.db2.gz IVHUZJJGUBSAKN-UHFFFAOYSA-N 0 0 340.358 3.686 10 30 EHEERN COc1ccc(-n2c(Br)c(C#N)c3cccnc32)cc1 ZINC000098181291 219086749 /nfs/dbraw/zinc/08/67/49/219086749.db2.gz NRDQZRQHUMGVTO-UHFFFAOYSA-N 0 0 328.169 3.668 10 30 EHEERN Cc1ccc(/C=N\c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000100141160 219092507 /nfs/dbraw/zinc/09/25/07/219092507.db2.gz QJDMDYGGAXZLMF-HKWRFOASSA-N 0 0 342.464 3.920 10 30 EHEERN N#CC1(NC(=O)c2csc(Br)c2)CCCCCC1 ZINC000037843880 213169624 /nfs/dbraw/zinc/16/96/24/213169624.db2.gz UGHGIRNDIUNMHB-UHFFFAOYSA-N 0 0 327.247 3.857 10 30 EHEERN C=C(C)C(=O)NCCc1nc2ccccc2n1CCCc1ccccc1 ZINC000035145019 213010280 /nfs/dbraw/zinc/01/02/80/213010280.db2.gz XSOVBKAXXNRWIV-UHFFFAOYSA-N 0 0 347.462 3.904 10 30 EHEERN CCCCn1c(C#N)ccc1-c1ccc(NS(=O)(=O)CC)cc1 ZINC000034949389 213002479 /nfs/dbraw/zinc/00/24/79/213002479.db2.gz BQEPPZDUICKCOP-UHFFFAOYSA-N 0 0 331.441 3.588 10 30 EHEERN Cc1nn(Cc2ccccc2)c(C)c1C=NNc1cccc([N+](=O)[O-])c1 ZINC000007949871 258053429 /nfs/dbraw/zinc/05/34/29/258053429.db2.gz HZAVFLAXRLVASX-UDWIEESQSA-N 0 0 349.394 3.902 10 30 EHEERN CC(CCc1ccc2c(c1)OCO2)N=Nc1cccc([N+](=O)[O-])c1 ZINC000004863744 518473400 /nfs/dbraw/zinc/47/34/00/518473400.db2.gz CEAYLYXIEFEMMT-LDADJPATSA-N 0 0 327.340 3.744 10 30 EHEERN C=CC[C@@]12C=C(OC)C(=O)C=C1O[C@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000005554724 519109360 /nfs/dbraw/zinc/10/93/60/519109360.db2.gz SOLJFAQVSWXZEQ-CFGAKRJMSA-N 0 0 340.375 3.682 10 30 biogenic,in-vitro EHEERN COc1cc(/C=C/C(=O)c2ccccc2[N+](=O)[O-])cc(OC)c1OC ZINC000004276694 521939965 /nfs/dbraw/zinc/93/99/65/521939965.db2.gz IJUDTRBXINWDEK-CMDGGOBGSA-N 0 0 343.335 3.517 10 30 EHEERN O=[N+]([O-])c1ccc(-c2csc(N=NCc3ccccn3)n2)cc1 ZINC000005778570 527342535 /nfs/dbraw/zinc/34/25/35/527342535.db2.gz NHHVMACQCDMBTB-MFOYZWKCSA-N 0 0 325.353 3.559 10 30 EHEERN Cn1cc(C(=O)N[C@@H]2CCC[C@H]2C#N)c(-c2ccc(Cl)s2)n1 ZINC000330010604 1016726424 /nfs/dbraw/zinc/72/64/24/1016726424.db2.gz HERYTPGQMBRXHG-GXSJLCMTSA-N 0 0 334.832 3.799 10 30 EHEERN O=C(NC[C@@H]1CCC2(CCCCC2)O1)N[C@@H]1CCOc2ccccc21 ZINC000330072392 1017517307 /nfs/dbraw/zinc/51/73/07/1017517307.db2.gz ZAMOCYTXDVXRJV-DOTOQJQBSA-N 0 0 344.455 3.896 10 30 EHEERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](C#N)C1CCCCC1 ZINC000588441300 1022461139 /nfs/dbraw/zinc/46/11/39/1022461139.db2.gz UPDMTJKWZYVGEM-MLFXKNMZSA-N 0 0 327.384 3.587 10 30 EHEERN Cc1cccc(NC(=O)[C@H](C)N2CCC[C@@H](n3cccn3)C2)c1C ZINC000328726658 1022487799 /nfs/dbraw/zinc/48/77/99/1022487799.db2.gz ZSSHZNIECDOWOM-DLBZAZTESA-N 0 0 326.444 3.814 10 30 EHEERN Cc1cccc(NC(=O)[C@@H](C)N2CCC[C@H](n3cccn3)C2)c1C ZINC000328726661 1022487953 /nfs/dbraw/zinc/48/79/53/1022487953.db2.gz ZSSHZNIECDOWOM-SJORKVTESA-N 0 0 326.444 3.814 10 30 EHEERN C[C@H]1Oc2ccc(NC(=O)C[C@H]3CCCCNC3=O)cc2NC1=O ZINC000328876020 1022524742 /nfs/dbraw/zinc/52/47/42/1022524742.db2.gz SIPIWHTVNRZRQI-GHMZBOCLSA-N 0 0 331.372 3.790 10 30 EHEERN Cc1ccc([C@H](C)N(C)C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)cc1 ZINC000328887405 1022527352 /nfs/dbraw/zinc/52/73/52/1022527352.db2.gz PKLQPDMECUXBHB-FDQGKXFDSA-N 0 0 329.444 3.799 10 30 EHEERN CC(C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CC23CCS(=O)(=O)CC3)CC1 ZINC000328892903 1022529033 /nfs/dbraw/zinc/52/90/33/1022529033.db2.gz UEVJCFZSKITCDG-OWCLPIDISA-N 0 0 341.517 3.763 10 30 EHEERN O=C(Nc1cccc2c1OCC(=O)N2)NC1C2CC3CC(C2)CC1C3 ZINC000329771812 1024187889 /nfs/dbraw/zinc/18/78/89/1024187889.db2.gz HAFALQLXEWBUGT-UHFFFAOYSA-N 0 0 341.411 3.627 10 30 EHEERN CC(C)C(=O)N[C@@H]1CCCN(C(=O)Nc2cccc3ccn(C)c32)C1 ZINC000329929222 1024254160 /nfs/dbraw/zinc/25/41/60/1024254160.db2.gz YPHMVIANYVGPPG-OAHLLOKOSA-N 0 0 342.443 3.801 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC1C2CC3CC(C2)CC1C3 ZINC000330173103 1024343047 /nfs/dbraw/zinc/34/30/47/1024343047.db2.gz YIYAKALABZKDFM-MXDYUQJCSA-N 0 0 343.471 3.527 10 30 EHEERN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CSc2ccccc21 ZINC000329012132 1025568004 /nfs/dbraw/zinc/56/80/04/1025568004.db2.gz IMJRIPAQRUZNSL-JKIFEVAISA-N 0 0 343.452 3.691 10 30 EHEERN CC[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(F)cc1F ZINC000186006283 1025919304 /nfs/dbraw/zinc/91/93/04/1025919304.db2.gz WLWSFGGNYOYDJB-QGZVFWFLSA-N 0 0 339.349 3.980 10 30 EHEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1cc(Cl)ccc1O ZINC000186021713 1026124215 /nfs/dbraw/zinc/12/42/15/1026124215.db2.gz VYWGGJJATYTZHS-NSHDSACASA-N 0 0 339.786 3.671 10 30 EHEERN C#Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)c1 ZINC000043984494 1027139111 /nfs/dbraw/zinc/13/91/11/1027139111.db2.gz UXDMLXUBKMSRSR-QGZVFWFLSA-N 0 0 347.418 3.551 10 30 EHEERN C=C[C@H](CC(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1 ZINC000128162741 1027399497 /nfs/dbraw/zinc/39/94/97/1027399497.db2.gz HJTFAFITFVIUPM-UZLBHIALSA-N 0 0 346.434 3.679 10 30 EHEERN COc1ccc(-n2ccc(CN[C@@H](C)c3ccc(C#N)s3)n2)cc1 ZINC000183315638 1027557435 /nfs/dbraw/zinc/55/74/35/1027557435.db2.gz XOQJINPRXCJDMR-ZDUSSCGKSA-N 0 0 338.436 3.665 10 30 EHEERN Cc1cc(C)c(NC(=O)N[C@H]2CCC[C@H]2C#N)cc1Br ZINC000408356717 1030122715 /nfs/dbraw/zinc/12/27/15/1030122715.db2.gz RSVIYTIWZCLKJP-AAEUAGOBSA-N 0 0 336.233 3.880 10 30 EHEERN N#CC1(c2ccc(C(=O)N3CCC[C@@H](c4nccs4)C3)cc2)CC1 ZINC000180250574 1031871660 /nfs/dbraw/zinc/87/16/60/1031871660.db2.gz USHCFHMDJWZLFE-OAHLLOKOSA-N 0 0 337.448 3.718 10 30 EHEERN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC=C(c2cccs2)CC1 ZINC000117896254 1031919911 /nfs/dbraw/zinc/91/99/11/1031919911.db2.gz SOPLMGZAYLVXTC-HNNXBMFYSA-N 0 0 343.496 3.568 10 30 EHEERN N#Cc1cc(Br)cnc1N1CCC(c2nccs2)CC1 ZINC000450292198 1034064971 /nfs/dbraw/zinc/06/49/71/1034064971.db2.gz HSTRLXNLJAQGBI-UHFFFAOYSA-N 0 0 349.257 3.556 10 30 EHEERN C#CCCOc1ccc(CNCc2ncc(-c3ccccc3)cn2)cc1 ZINC000185874817 1035552211 /nfs/dbraw/zinc/55/22/11/1035552211.db2.gz DALXRZULKPFHAX-UHFFFAOYSA-N 0 0 343.430 3.836 10 30 EHEERN C#Cc1cccc(NC(=O)N[C@@H](c2ccccc2)c2ccncc2)c1 ZINC000103315094 1037590144 /nfs/dbraw/zinc/59/01/44/1037590144.db2.gz WPVCRBOHACJDQP-FQEVSTJZSA-N 0 0 327.387 3.974 10 30 EHEERN CC(C)[C@@H]1N(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC12CCC2 ZINC000330178580 1037950796 /nfs/dbraw/zinc/95/07/96/1037950796.db2.gz LSUFHLQVQDXLNR-KSSFIOAISA-N 0 0 344.455 3.943 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000408167908 1042074063 /nfs/dbraw/zinc/07/40/63/1042074063.db2.gz ZHLFSHHZNRFYJV-JSGCOSHPSA-N 0 0 327.384 3.542 10 30 EHEERN Cc1cnn(-c2ccc(NC(=O)N3CC[C@H]4CCC[C@@H]43)cc2F)c1 ZINC000330264875 1042729712 /nfs/dbraw/zinc/72/97/12/1042729712.db2.gz YKVDHIHLONXJRB-CJNGLKHVSA-N 0 0 328.391 3.740 10 30 EHEERN N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@H]4CCC[C@H]43)cc2)nc1 ZINC000330264992 1042731901 /nfs/dbraw/zinc/73/19/01/1042731901.db2.gz YPQCMJGCONSWID-CRAIPNDOSA-N 0 0 333.391 3.760 10 30 EHEERN CC(C)(C)C(=O)Nc1nc(CC(=O)N2CC[C@@H]3CCC[C@H]32)cs1 ZINC000330291754 1042833035 /nfs/dbraw/zinc/83/30/35/1042833035.db2.gz CXRBSIMTNBBRFS-WCQYABFASA-N 0 0 335.473 3.721 10 30 EHEERN N#CC1(CS(=O)(=O)N2CCCC[C@@H]2c2ccco2)CCCCC1 ZINC000408310927 1043036886 /nfs/dbraw/zinc/03/68/86/1043036886.db2.gz VGQSXGPPSXVXLT-OAHLLOKOSA-N 0 0 336.457 3.610 10 30 EHEERN Cc1cc(C)c(NC(=O)N[C@H]2CCC[C@@H]2C#N)cc1Br ZINC000408356720 1043660246 /nfs/dbraw/zinc/66/02/46/1043660246.db2.gz RSVIYTIWZCLKJP-YPMHNXCESA-N 0 0 336.233 3.880 10 30 EHEERN CC(C)[C@H](Nc1cccc(F)c1C#N)c1nc(-c2cccnc2)no1 ZINC000301704109 1128603207 /nfs/dbraw/zinc/60/32/07/1128603207.db2.gz HQJTZLTXQYNHLF-INIZCTEOSA-N 0 0 337.358 3.952 10 30 EHEERN C#Cc1cccc(N(CC)C(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)c1 ZINC000103027635 1132608109 /nfs/dbraw/zinc/60/81/09/1132608109.db2.gz VPYIIJNPENPBIC-QRWLVFNGSA-N 0 0 346.430 3.929 10 30 EHEERN CC(C)(C(=O)[C@H](C#N)c1ccccn1)c1cccc(Br)c1 ZINC000102595589 1135594747 /nfs/dbraw/zinc/59/47/47/1135594747.db2.gz SYKKXBBHTWFALY-CQSZACIVSA-N 0 0 343.224 3.998 10 30 EHEERN C#Cc1cccc(N(C(=O)C[C@H](NC(C)=O)c2ccccc2)C(C)C)c1 ZINC000102909334 1135692084 /nfs/dbraw/zinc/69/20/84/1135692084.db2.gz CCOYGBJPSQQBCZ-NRFANRHFSA-N 0 0 348.446 3.677 10 30 EHEERN O=C1C=Cc2ccccc2C1=NNc1ccc(Br)cc1 ZINC000100056664 219089908 /nfs/dbraw/zinc/08/99/08/219089908.db2.gz OOQHGNPYDRUCHT-KNTRCKAVSA-N 0 0 327.181 3.861 10 30 EHEERN CCN(CC)c1ccc(/C=N\S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000102962990 219244366 /nfs/dbraw/zinc/24/43/66/219244366.db2.gz UCNFPOXLBHBWJS-RGEXLXHISA-N 0 0 330.453 3.649 10 30 EHEERN C=CCNc1ncnc(Nc2cccc(C(F)(F)F)c2)c1[N+](=O)[O-] ZINC000040598751 213357131 /nfs/dbraw/zinc/35/71/31/213357131.db2.gz RMHOSQLKDFWEKB-UHFFFAOYSA-N 0 0 339.277 3.745 10 30 EHEERN S=C(N/N=C/c1ccc(Cl)c(Cl)c1)N[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000001040482 209703735 /nfs/dbraw/zinc/70/37/35/209703735.db2.gz QMBXKKQAQSNTDW-HDSYQZHVSA-N 0 0 340.279 3.756 10 30 EHEERN N#Cc1ccc(Oc2cccc(I)c2)c(N)c1 ZINC000035675070 213045407 /nfs/dbraw/zinc/04/54/07/213045407.db2.gz KYYRPMALYNOCCA-UHFFFAOYSA-N 0 0 336.132 3.537 10 30 EHEERN C=C(C)C(=O)NCCc1nc2ccccc2n1CCc1ccccc1 ZINC000035144404 213011009 /nfs/dbraw/zinc/01/10/09/213011009.db2.gz WQOAQAONKDFYBW-UHFFFAOYSA-N 0 0 333.435 3.514 10 30 EHEERN CC(=O)Oc1cccc([C@]2(C)O[C@@]2(C)c2cccc(OC(C)=O)c2)c1 ZINC000029224895 212657829 /nfs/dbraw/zinc/65/78/29/212657829.db2.gz SQPTYHWOVPPLRN-PMACEKPBSA-N 0 0 340.375 3.698 10 30 EHEERN N#Cc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccccc2)[nH]c1=O ZINC000072451258 216239602 /nfs/dbraw/zinc/23/96/02/216239602.db2.gz PMWPSGQUKCUPMY-UHFFFAOYSA-N 0 0 349.777 3.819 10 30 EHEERN CN1C(=O)/C(=C/c2ccccc2F)S/C1=N\c1ccc(O)cc1 ZINC000016904517 211940315 /nfs/dbraw/zinc/94/03/15/211940315.db2.gz NMBKJEPVPLJVGA-VUDPKCRPSA-N 0 0 328.368 3.765 10 30 EHEERN C=CCc1ccccc1OCCCn1c2ccccc2nc1CCO ZINC000008786151 211007361 /nfs/dbraw/zinc/00/73/61/211007361.db2.gz NWCAWBORKFCFNR-UHFFFAOYSA-N 0 0 336.435 3.769 10 30 EHEERN C=C(C)CSc1nnc(NC(=O)[C@H]2C[C@H]2c2ccccc2)s1 ZINC000006705330 210688202 /nfs/dbraw/zinc/68/82/02/210688202.db2.gz QZCCUYKKJQNWLP-STQMWFEESA-N 0 0 331.466 3.949 10 30 EHEERN C=C(C)CSc1nnc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)s1 ZINC000006705329 258044605 /nfs/dbraw/zinc/04/46/05/258044605.db2.gz QZCCUYKKJQNWLP-QWHCGFSZSA-N 0 0 331.466 3.949 10 30 EHEERN CC(=O)O[C@@]12O[C@@H]1C[C@@H]1[C@H]3CC[C@H]4C[C@H]5O[C@H]5C[C@]4(C)[C@@H]3CC[C@@]12C ZINC000256379320 534779016 /nfs/dbraw/zinc/77/90/16/534779016.db2.gz AEFVYXKODUCZPV-XHQAJILDSA-N 0 0 346.467 3.675 10 30 EHEERN COc1ccc(OC)c(C(=O)/C=C/c2cc(OC)c(C)cc2OC)c1 ZINC000005378878 524803693 /nfs/dbraw/zinc/80/36/93/524803693.db2.gz DHFCLNKMKWPKHT-SOFGYWHQSA-N 0 0 342.391 3.926 10 30 EHEERN COc1ccc(OC)c(C(=O)/C=C\c2cc(OC)c(C)cc2OC)c1 ZINC000033378853 524803727 /nfs/dbraw/zinc/80/37/27/524803727.db2.gz DHFCLNKMKWPKHT-VURMDHGXSA-N 0 0 342.391 3.926 10 30 EHEERN O=C(O/N=C\c1cccc(C(F)(F)F)c1)c1cccnc1Cl ZINC000033376723 526414824 /nfs/dbraw/zinc/41/48/24/526414824.db2.gz APYNEKOACFPVMG-ZBKNUEDVSA-N 0 0 328.677 3.945 10 30 EHEERN CC1(C)SC(=S)N(Cc2ccccc2)[C@H]1/[N+]([O-])=C/c1ccco1 ZINC000165991471 527817782 /nfs/dbraw/zinc/81/77/82/527817782.db2.gz GWNVHIWSMIKNEP-CCRNYGKSSA-N 0 0 347.485 3.739 10 30 EHEERN CC1=C(C(=O)NC[C@H]2CCc3nc(C(F)(F)F)cn3C2)CCCO1 ZINC000328638808 564137112 /nfs/dbraw/zinc/13/71/12/564137112.db2.gz WMEWUOSKLIJTGW-LLVKDONJSA-N 0 0 343.349 3.505 10 30 EHEERN CC(=O)N[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)C1CCOCC1 ZINC000328644340 564137122 /nfs/dbraw/zinc/13/71/22/564137122.db2.gz ZCYYXLFDFBOHKA-MRXNPFEDSA-N 0 0 349.818 3.758 10 30 EHEERN Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@@H]1C ZINC000330172189 1018615832 /nfs/dbraw/zinc/61/58/32/1018615832.db2.gz GEFKDNJHVMLAJZ-AFIMGQEJSA-N 0 0 325.412 3.623 10 30 EHEERN Cc1nc(-c2ccc(NC(=O)N[C@@H]3CCCNC3=O)cc2)cs1 ZINC000328707077 1018631363 /nfs/dbraw/zinc/63/13/63/1018631363.db2.gz ZHYSRDXUSOBVHW-CYBMUJFWSA-N 0 0 330.413 3.563 10 30 EHEERN Cc1ccc(-c2ncccc2NC(=O)N[C@H]2CCC[C@@H]2C#N)s1 ZINC000333299281 1019055042 /nfs/dbraw/zinc/05/50/42/1019055042.db2.gz BRDXFGODISZGFD-OLZOCXBDSA-N 0 0 326.425 3.932 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H](C)c1ccccc1C)CCC2 ZINC000328694229 1022470083 /nfs/dbraw/zinc/47/00/83/1022470083.db2.gz FYYHRULTWLSGHA-HOTGVXAUSA-N 0 0 326.444 3.642 10 30 EHEERN C[C@H](c1ccc(F)cc1)N(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000328859194 1022517878 /nfs/dbraw/zinc/51/78/78/1022517878.db2.gz DTQJXXBZQFFUFI-JGFGOQIWSA-N 0 0 333.407 3.630 10 30 EHEERN Cc1csc([C@@H]2CCCN(C(=O)CNC(=O)CC3CCCC3)C2)n1 ZINC000329747360 1024173521 /nfs/dbraw/zinc/17/35/21/1024173521.db2.gz SIEWKWGUTNGTNT-OAHLLOKOSA-N 0 0 349.500 3.694 10 30 EHEERN CCc1noc(-c2ccc(C)c(NC(=O)N3C[C@@H]4CCC[C@H]43)c2)n1 ZINC000329940385 1024257586 /nfs/dbraw/zinc/25/75/86/1024257586.db2.gz UKNJTHKVUPQDJU-DZGCQCFKSA-N 0 0 326.400 3.637 10 30 EHEERN O=C(Nc1ccnc(Sc2ccccn2)c1)N1C[C@H]2CCC[C@@H]21 ZINC000329939768 1024258859 /nfs/dbraw/zinc/25/88/59/1024258859.db2.gz UAZSZLKYGJHRSV-OCCSQVGLSA-N 0 0 326.425 3.658 10 30 EHEERN O=C(N[C@@H]1CCCc2sc(Cl)cc21)N1CCc2cncnc2C1 ZINC000330270464 1024380803 /nfs/dbraw/zinc/38/08/03/1024380803.db2.gz UFPBLPBSAJYDKS-GFCCVEGCSA-N 0 0 348.859 3.541 10 30 EHEERN Cc1c(C#N)cccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000178535814 1025317587 /nfs/dbraw/zinc/31/75/87/1025317587.db2.gz OHTHGPNBCMWHQX-CQSZACIVSA-N 0 0 326.425 3.735 10 30 EHEERN CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)[C@@H]1CCCc2sccc21 ZINC000329197911 1025659538 /nfs/dbraw/zinc/65/95/38/1025659538.db2.gz ULEHKQCBRJZFHO-YCPHGPKFSA-N 0 0 345.468 3.871 10 30 EHEERN C[C@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1c(F)cccc1Cl ZINC000329258448 1025699238 /nfs/dbraw/zinc/69/92/38/1025699238.db2.gz AGELOYGOYHSCNK-OPQQBVKSSA-N 0 0 339.798 3.505 10 30 EHEERN CCC1CCN(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329271065 1025711882 /nfs/dbraw/zinc/71/18/82/1025711882.db2.gz JBUAMFCFJRLQSM-OAHLLOKOSA-N 0 0 332.492 3.531 10 30 EHEERN CCC[C@@H](CCc1ccccc1)NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329327621 1025756437 /nfs/dbraw/zinc/75/64/37/1025756437.db2.gz JYNWPCGYJVVKTR-RCCFBDPRSA-N 0 0 343.471 3.753 10 30 EHEERN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)C[C@@H]2CCC[C@H](C)C2)C1 ZINC000329556795 1025997662 /nfs/dbraw/zinc/99/76/62/1025997662.db2.gz QJLILGOHFJBNCP-NUEKZKHPSA-N 0 0 346.475 3.940 10 30 EHEERN N#Cc1ccccc1NC(=O)CC[N@H+]1CC=C(c2ccccc2F)CC1 ZINC000127794039 1026502395 /nfs/dbraw/zinc/50/23/95/1026502395.db2.gz LRKMCJWDWAIVFK-UHFFFAOYSA-N 0 0 349.409 3.815 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000333571556 1027709044 /nfs/dbraw/zinc/70/90/44/1027709044.db2.gz IRPGUWWOWMXDAJ-DIECFANBSA-N 0 0 331.847 3.968 10 30 EHEERN N#C[C@H]1CCC[C@H]1NCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000333584382 1028171499 /nfs/dbraw/zinc/17/14/99/1028171499.db2.gz KNJSSDHYDBUYQC-VQIMIIECSA-N 0 0 331.504 3.762 10 30 EHEERN C=CCOc1cccc(NC(=O)N2CCO[C@H](c3ccc(C)o3)C2)c1 ZINC000153695917 1028614098 /nfs/dbraw/zinc/61/40/98/1028614098.db2.gz ULUYFJDZTPINLD-SFHVURJKSA-N 0 0 342.395 3.758 10 30 EHEERN Cc1nc(NC(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)sc1C ZINC000329187803 1029978896 /nfs/dbraw/zinc/97/88/96/1029978896.db2.gz BGDGLBVIEMVFSH-LBPRGKRZSA-N 0 0 347.488 3.595 10 30 EHEERN Cc1nc(NC(=O)[C@@H]2Oc3ccccc3[C@@H]2C)sc1SCC#N ZINC000117612898 1031781134 /nfs/dbraw/zinc/78/11/34/1031781134.db2.gz HUPSZRJRWJYMOX-TVQRCGJNSA-N 0 0 345.449 3.570 10 30 EHEERN COc1cccc(/C=C\C(=O)c2ccc(OC)c(NC(C)=O)c2)c1F ZINC000588619196 1033525737 /nfs/dbraw/zinc/52/57/37/1033525737.db2.gz OKSLGEIHVHTXOT-CLFYSBASSA-N 0 0 343.354 3.697 10 30 EHEERN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000185802113 1035513233 /nfs/dbraw/zinc/51/32/33/1035513233.db2.gz CPIGDSRISMDGCH-IAGOWNOFSA-N 0 0 340.467 3.732 10 30 EHEERN N#CCOc1ccccc1C(=O)N1CC=C(c2ccccc2F)CC1 ZINC000186139152 1035589529 /nfs/dbraw/zinc/58/95/29/1035589529.db2.gz URXZQEBKZXOXOD-UHFFFAOYSA-N 0 0 336.366 3.658 10 30 EHEERN C=CCC1(C(=O)N2CC[C@H](c3cc(OC)cc(OC)c3)C2)CCC1 ZINC000189072234 1036012056 /nfs/dbraw/zinc/01/20/56/1036012056.db2.gz HKDWJPQWKUQPKR-HNNXBMFYSA-N 0 0 329.440 3.766 10 30 EHEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000408167909 1042073909 /nfs/dbraw/zinc/07/39/09/1042073909.db2.gz ZHLFSHHZNRFYJV-OCCSQVGLSA-N 0 0 327.384 3.542 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)Nc2cccc3c2OCO3)cs1 ZINC000330262801 1042674663 /nfs/dbraw/zinc/67/46/63/1042674663.db2.gz VQXLNJDWNVVFIR-ZDUSSCGKSA-N 0 0 331.397 3.563 10 30 EHEERN N#C[C@H]1N(C(=O)c2ccc(C(F)F)cc2)CCC[C@@]12CCCCO2 ZINC000408267969 1042899256 /nfs/dbraw/zinc/89/92/56/1042899256.db2.gz HSSVNYFFTAIIDU-QAPCUYQASA-N 0 0 334.366 3.692 10 30 EHEERN N#Cc1ccc(Cl)cc1N1CCCN(C(=O)c2cccs2)CC1 ZINC000301263267 1128581000 /nfs/dbraw/zinc/58/10/00/1128581000.db2.gz GUXBQGNNROWBRS-UHFFFAOYSA-N 0 0 345.855 3.626 10 30 EHEERN N#Cc1cccc(N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000301861480 1128609266 /nfs/dbraw/zinc/60/92/66/1128609266.db2.gz UADKNQHUWPANQZ-MRXNPFEDSA-N 0 0 329.407 3.727 10 30 EHEERN N#Cc1cnc2ccccc2c1N1CCC(Cc2ccccn2)CC1 ZINC000193569974 1121432068 /nfs/dbraw/zinc/43/20/68/1121432068.db2.gz QSISFMLAKGFOFG-UHFFFAOYSA-N 0 0 328.419 3.961 10 30 EHEERN C[C@H](Oc1ccccc1C#N)C(=O)NC(C)(C)c1ccc(F)cc1 ZINC000103052637 1132649542 /nfs/dbraw/zinc/64/95/42/1132649542.db2.gz ISJZDGPOMYNHPC-ZDUSSCGKSA-N 0 0 326.371 3.516 10 30 EHEERN Cc1cc(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)ncc1C#N ZINC000333964320 1138354962 /nfs/dbraw/zinc/35/49/62/1138354962.db2.gz OWYRKAMOAGZJSI-GOSISDBHSA-N 0 0 347.418 3.828 10 30 EHEERN CCOC(=O)c1cn(Cc2ccc(C)cc2)c2c1/C(=N/O)CCC2 ZINC000100069637 219090287 /nfs/dbraw/zinc/09/02/87/219090287.db2.gz XBVJIADTXZGVAT-CAPFRKAQSA-N 0 0 326.396 3.536 10 30 EHEERN Cc1c(C(=O)N2CCCC2)oc2c1C(=NNc1ccccc1)CCC2 ZINC000040824180 213389965 /nfs/dbraw/zinc/38/99/65/213389965.db2.gz VKRYZLLMNUMDRB-CJLVFECKSA-N 0 0 337.423 3.977 10 30 EHEERN CCCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@H]1c1ccccc1OC ZINC000040357963 213293954 /nfs/dbraw/zinc/29/39/54/213293954.db2.gz KMLYFVNYSZNORZ-GOSISDBHSA-N 0 0 345.439 3.806 10 30 EHEERN C[C@H]1CC(=O)C2=C(C1)O[C@@H](N)[C@@H](C#N)[C@@H]2c1ccc2ccccc2c1 ZINC000095081071 218275240 /nfs/dbraw/zinc/27/52/40/218275240.db2.gz JWRMOHGINMLIME-ZOLHYXGZSA-N 0 0 332.403 3.631 10 30 EHEERN CC(C)(C)OC(=O)N1CCC[C@@H](CCCOc2cc(C#N)ccn2)C1 ZINC000095085027 218276506 /nfs/dbraw/zinc/27/65/06/218276506.db2.gz VHHDOOPRGWNCCQ-HNNXBMFYSA-N 0 0 345.443 3.759 10 30 EHEERN CC(=NNc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005415493 210460839 /nfs/dbraw/zinc/46/08/39/210460839.db2.gz VNXMFLIIJWRFJF-CXUHLZMHSA-N 0 0 334.719 3.993 10 30 EHEERN CC(=[NH+][N-]c1ccc(F)cc1)c1ccc(N2CCN(C)CC2)c(F)c1 ZINC000004183772 518452559 /nfs/dbraw/zinc/45/25/59/518452559.db2.gz BNLRYOUTRWMRFQ-HMAPJEAMSA-N 0 0 344.409 3.553 10 30 EHEERN CCN(CCC#N)c1ccc(NN=C2c3ccccc3C=CC2=O)cc1 ZINC000095628837 563977594 /nfs/dbraw/zinc/97/75/94/563977594.db2.gz SSDUMKWAHBEUMC-FLFQWRMESA-N 0 0 344.418 3.839 10 30 EHEERN O=C(N[C@@H]1CCCc2ccc(F)cc21)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330027299 1016858267 /nfs/dbraw/zinc/85/82/67/1016858267.db2.gz MWAPVHQINUUHIL-QKYXUNIQSA-N 0 0 346.446 3.744 10 30 EHEERN Cc1nnc([C@H](C)NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 ZINC000329777843 1032247579 /nfs/dbraw/zinc/24/75/79/1032247579.db2.gz KUAQXMZNQCZKJT-UJNFCWOMSA-N 0 0 336.383 3.532 10 30 EHEERN Cc1csc(C2CCN(C(=O)c3ccc(C#N)cc3C)CC2)n1 ZINC000119311310 1019925091 /nfs/dbraw/zinc/92/50/91/1019925091.db2.gz UOQIMBPDTAMNLW-UHFFFAOYSA-N 0 0 325.437 3.651 10 30 EHEERN Cc1nc([C@H](C)NC(=O)N2CCO[C@@H](c3ccsc3)C2)cs1 ZINC000329830953 1033049272 /nfs/dbraw/zinc/04/92/72/1033049272.db2.gz FJJKRDNDPVDQPQ-IINYFYTJSA-N 0 0 337.470 3.562 10 30 EHEERN CC1CC(NC(=O)[C@H]2CCO[C@@H]2c2ccnn2-c2ccc(F)cc2)C1 ZINC000328651293 1022453217 /nfs/dbraw/zinc/45/32/17/1022453217.db2.gz BLRSDGJCOMOXEB-DGHFUHBMSA-N 0 0 343.402 3.844 10 30 EHEERN C[C@@H](NC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1)C1CCCCC1 ZINC000328720946 1022462957 /nfs/dbraw/zinc/46/29/57/1022462957.db2.gz QYABXSKXUBMISK-FHLIZLRMSA-N 0 0 331.460 3.774 10 30 EHEERN C[C@H](NC(=O)C1CCCC1)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000328774356 1022485678 /nfs/dbraw/zinc/48/56/78/1022485678.db2.gz DYVSFKMCUPEDGN-JSGCOSHPSA-N 0 0 335.473 3.732 10 30 EHEERN C[C@H](NC(=O)[C@@H]1CCC(=O)[C@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000328941371 1022537363 /nfs/dbraw/zinc/53/73/63/1022537363.db2.gz LAIBIBGTGRWRPN-IJEWVQPXSA-N 0 0 325.412 3.895 10 30 EHEERN Cn1cc([C@@H]2CCCN2C(=O)NCc2csc3ccccc23)cn1 ZINC000328979692 1023001697 /nfs/dbraw/zinc/00/16/97/1023001697.db2.gz XMFIHHVIKQYGLW-INIZCTEOSA-N 0 0 340.452 3.886 10 30 EHEERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@H]1CCCc2c[nH]nc21 ZINC000330101232 1024319065 /nfs/dbraw/zinc/31/90/65/1024319065.db2.gz FAPSJECMFGUXJZ-JSGCOSHPSA-N 0 0 342.424 3.896 10 30 EHEERN CC(C)(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330103839 1024319752 /nfs/dbraw/zinc/31/97/52/1024319752.db2.gz IVAAWWMGNQIRIG-XMTFNYHQSA-N 0 0 346.471 3.957 10 30 EHEERN C[C@@H]1CC[C@@H](NC(=O)N2CCc3cc[nH]c(=O)c3C2)c2ccccc21 ZINC000330269813 1024377903 /nfs/dbraw/zinc/37/79/03/1024377903.db2.gz SKECYDSCTAEBLB-FZKQIMNGSA-N 0 0 337.423 3.698 10 30 EHEERN C[C@@H]1CC[C@H](NC(=O)N2CCc3cc[nH]c(=O)c3C2)c2ccccc21 ZINC000330269812 1024378632 /nfs/dbraw/zinc/37/86/32/1024378632.db2.gz SKECYDSCTAEBLB-ACJLOTCBSA-N 0 0 337.423 3.698 10 30 EHEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CSc3ccccc32)cn1 ZINC000330341981 1025027311 /nfs/dbraw/zinc/02/73/11/1025027311.db2.gz ZZSHAVDWABSGGQ-ZMSDIMECSA-N 0 0 343.452 3.784 10 30 EHEERN C#CCn1c(-c2c(C)noc2C)csc1=Nc1ccccc1C#N ZINC000588497236 1025106405 /nfs/dbraw/zinc/10/64/05/1025106405.db2.gz UJWZIJAZFBHPOW-UHFFFAOYSA-N 0 0 334.404 3.559 10 30 EHEERN CC[C@@H]1CCCCN1C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329232775 1025683611 /nfs/dbraw/zinc/68/36/11/1025683611.db2.gz LNILLSZRISZSMW-LSDHHAIUSA-N 0 0 332.492 3.674 10 30 EHEERN CO[C@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000329270171 1025711293 /nfs/dbraw/zinc/71/12/93/1025711293.db2.gz HFTGGQGFHUORAF-HLLBOEOZSA-N 0 0 344.455 3.846 10 30 EHEERN CC1(C)CN(C(=O)NC[C@@H]2CCCn3ccnc32)[C@@H]1c1cccs1 ZINC000329283872 1025719534 /nfs/dbraw/zinc/71/95/34/1025719534.db2.gz NOJUTWHIPWNBHY-DZGCQCFKSA-N 0 0 344.484 3.819 10 30 EHEERN N#CCC[C@@H](C#N)CN1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000121760545 1025762189 /nfs/dbraw/zinc/76/21/89/1025762189.db2.gz BHDNWEGHSDJSRC-FUHWJXTLSA-N 0 0 333.439 3.700 10 30 EHEERN N#C[C@@H]1CN(C(=O)[C@H]2CCCc3c(O)cccc32)C[C@H]1c1ccccc1 ZINC000329417851 1025825603 /nfs/dbraw/zinc/82/56/03/1025825603.db2.gz DNAZCUOHLVNUBX-UXPWSPDFSA-N 0 0 346.430 3.578 10 30 EHEERN O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000329466000 1025883979 /nfs/dbraw/zinc/88/39/79/1025883979.db2.gz VUJMUVRBDXFPRD-CENPHQPOSA-N 0 0 348.512 3.639 10 30 EHEERN N#C[C@H]1CCC[C@@H]1NCC(=O)N(c1ccccc1)C1CCCCC1 ZINC000333621026 1027148100 /nfs/dbraw/zinc/14/81/00/1027148100.db2.gz POFAUQFAHOXSNW-APWZRJJASA-N 0 0 325.456 3.634 10 30 EHEERN O=C(Nc1cccc2c1OCO2)N[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000329325850 1030415804 /nfs/dbraw/zinc/41/58/04/1030415804.db2.gz JAQXPVKUBJEJMI-VHSXEESVSA-N 0 0 330.306 3.862 10 30 EHEERN Cc1nc([C@@H](C)NC(=O)N2CCC(c3nccs3)CC2)cs1 ZINC000329355509 1030509602 /nfs/dbraw/zinc/50/96/02/1030509602.db2.gz FOFPEVPFYXARLB-SNVBAGLBSA-N 0 0 336.486 3.763 10 30 EHEERN CCn1nc(C)c(NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)c1C ZINC000329610040 1031346027 /nfs/dbraw/zinc/34/60/27/1031346027.db2.gz CZFXXGXKRWQOLQ-DNVCBOLYSA-N 0 0 325.412 3.848 10 30 EHEERN CCc1nccn1[C@@H]1CCCN(C(=O)N[C@@H]2CCCC[C@H]2CC)C1 ZINC000329661174 1031652125 /nfs/dbraw/zinc/65/21/25/1031652125.db2.gz IPAJOYVNIYDCTO-BRWVUGGUSA-N 0 0 332.492 3.965 10 30 EHEERN C=CCCC[C@H](C)NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000179796539 1031810431 /nfs/dbraw/zinc/81/04/31/1031810431.db2.gz LEKUYGIXKQMUNZ-DOTOQJQBSA-N 0 0 329.444 3.544 10 30 EHEERN CC(C)Cn1ccnc1CNC(=O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329719960 1031948302 /nfs/dbraw/zinc/94/83/02/1031948302.db2.gz MQGFTUQZXLFHEF-OXJNMPFZSA-N 0 0 339.439 3.736 10 30 EHEERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccc(F)c3C#N)C2)cc1 ZINC000188156010 1033880066 /nfs/dbraw/zinc/88/00/66/1033880066.db2.gz ZGAZQMOKJDCAIG-DZGCQCFKSA-N 0 0 338.382 3.724 10 30 EHEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1C[C@@H]1c1ccco1 ZINC000062897337 1035784670 /nfs/dbraw/zinc/78/46/70/1035784670.db2.gz VNFHNNQVFMGYBI-JKSUJKDBSA-N 0 0 326.352 3.506 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(CC#N)cc2)cs1 ZINC000188446744 1035940413 /nfs/dbraw/zinc/94/04/13/1035940413.db2.gz CVJQTOCSJMWUFA-INIZCTEOSA-N 0 0 326.425 3.887 10 30 EHEERN Cc1c([C@@H](C)Nc2cnn(-c3ncccc3C#N)c2)cnn1C(C)(C)C ZINC000191501080 1037151317 /nfs/dbraw/zinc/15/13/17/1037151317.db2.gz IZDZMYYZCSKBNA-CYBMUJFWSA-N 0 0 349.442 3.572 10 30 EHEERN C[C@@H](C#N)Oc1ccc(CNc2cnn(-c3ccccc3F)c2)cc1 ZINC000124773825 1038234406 /nfs/dbraw/zinc/23/44/06/1038234406.db2.gz KUVPYKPPFPGDBG-AWEZNQCLSA-N 0 0 336.370 3.914 10 30 EHEERN N#Cc1c(F)cccc1C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190272856 1042266277 /nfs/dbraw/zinc/26/62/77/1042266277.db2.gz FVMYTMZPOJRIIV-GFCCVEGCSA-N 0 0 344.336 3.995 10 30 EHEERN O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N1CC[C@@H]2CCC[C@H]21 ZINC000330263864 1042703593 /nfs/dbraw/zinc/70/35/93/1042703593.db2.gz XCZFPNRGWIDNMM-JLJPHGGASA-N 0 0 348.418 3.803 10 30 EHEERN C#Cc1cccc(N(CC)C(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)c1 ZINC000103027633 1132608380 /nfs/dbraw/zinc/60/83/80/1132608380.db2.gz VPYIIJNPENPBIC-FOIQADDNSA-N 0 0 346.430 3.929 10 30 EHEERN CCOc1ccc(/C=C/C(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 ZINC000102200888 1135488598 /nfs/dbraw/zinc/48/85/98/1135488598.db2.gz LWRDLELEOVKBER-YRNVUSSQSA-N 0 0 339.391 3.948 10 30 EHEERN OC/C=C/[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000097949865 219064252 /nfs/dbraw/zinc/06/42/52/219064252.db2.gz KDMGXDLVLHFXHD-QPHDTYRISA-N 0 0 342.104 3.570 10 30 EHEERN CNC1=C(c2cc(C)ccn2)C(=O)[C@@H](c2ccc(Cl)cc2Cl)O1 ZINC000100051828 219089101 /nfs/dbraw/zinc/08/91/01/219089101.db2.gz YQLSUUYNOGAFMJ-MRXNPFEDSA-N 0 0 349.217 3.925 10 30 EHEERN CNC(SCc1ccc(Cl)cc1)=C1C(=O)CC(C)(C)CC1=O ZINC000040570333 213352364 /nfs/dbraw/zinc/35/23/64/213352364.db2.gz KWDWFQCUYJSLLJ-UHFFFAOYSA-N 0 0 337.872 3.962 10 30 EHEERN CCOC(=O)c1cnc2c(C#N)cccc2c1Nc1ccccc1C#N ZINC000040308792 213290777 /nfs/dbraw/zinc/29/07/77/213290777.db2.gz USOBZDZIUQFZMA-UHFFFAOYSA-N 0 0 342.358 3.898 10 30 EHEERN COc1cc(OC)cc(/C(=C\C(C)=O)c2ccc(OC)c(OC)c2)c1 ZINC000073160190 216358586 /nfs/dbraw/zinc/35/85/86/216358586.db2.gz HPYBFHOINKPXAH-LSCVHKIXSA-N 0 0 342.391 3.742 10 30 EHEERN COc1ccc(/C=N\n2cnnc2SCc2ccc(C)cc2)cc1 ZINC000033289717 523462058 /nfs/dbraw/zinc/46/20/58/523462058.db2.gz BEHNGCUWLMLTSA-JAIQZWGSSA-N 0 0 338.436 3.770 10 30 EHEERN Cc1ccc(Cl)cc1NC(=O)CO/N=C/c1cccc([N+](=O)[O-])c1 ZINC000003220561 524743540 /nfs/dbraw/zinc/74/35/40/524743540.db2.gz TXLFGKAJJWLHBV-GIJQJNRQSA-N 0 0 347.758 3.546 10 30 EHEERN COc1ccc(-c2csc(N=NCc3ccc(F)cc3)n2)cc1 ZINC000033428825 563916057 /nfs/dbraw/zinc/91/60/57/563916057.db2.gz GLXHSAFFUVSIRG-GRSHGNNSSA-N 0 0 327.384 3.826 10 30 EHEERN Cc1ccc(O)c(NC(=O)[C@H]2CCO[C@@H]2c2cnn(C(C)C)c2)c1 ZINC000328619102 564136926 /nfs/dbraw/zinc/13/69/26/564136926.db2.gz FLKODKQAPVUTSL-WMLDXEAASA-N 0 0 329.400 3.844 10 30 EHEERN CC(=O)N[C@@H](c1nc(CCCc2ccccc2)no1)C1CCOCC1 ZINC000328618707 564136933 /nfs/dbraw/zinc/13/69/33/564136933.db2.gz DYMBWCVITNWTMG-GOSISDBHSA-N 0 0 343.427 3.689 10 30 EHEERN Cc1nc2c(s1)CCC[C@@H]2CN(C)C([O-])=[NH+]c1nc(C)c(C)o1 ZINC000328646160 564137128 /nfs/dbraw/zinc/13/71/28/564137128.db2.gz ZZHRKCCWXXCGNL-GFCCVEGCSA-N 0 0 334.445 3.654 10 30 EHEERN CCOc1cc2c(cc1/C=C\C(=O)OCC(C)(C)C#N)O[C@@H](C)C2 ZINC000588418986 1021179121 /nfs/dbraw/zinc/17/91/21/1021179121.db2.gz HPZJPJXYFDKWLH-FWWRYZNZSA-N 0 0 329.396 3.515 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1[C@H](C)C[C@@H]3CCCC[C@@H]31)CCC2 ZINC000328659159 1022455233 /nfs/dbraw/zinc/45/52/33/1022455233.db2.gz SFABUNRKHMLPLU-QZWWFDLISA-N 0 0 330.476 3.636 10 30 EHEERN Cc1ccc(NC(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)cc1F ZINC000328662592 1022458274 /nfs/dbraw/zinc/45/82/74/1022458274.db2.gz XJXWWZHTNQYXET-DLBZAZTESA-N 0 0 329.375 3.585 10 30 EHEERN CC1(C)c2cc(C(=O)N[C@H]3CCC(=O)NC34CCC4)ccc2NC1=O ZINC000328714520 1022473582 /nfs/dbraw/zinc/47/35/82/1022473582.db2.gz CJSNIBKEWVBEPV-AWEZNQCLSA-N 0 0 341.411 3.912 10 30 EHEERN CCO[C@H](C)c1ncc(C(=O)N[C@H]2CCC(=O)NC23CCC3)s1 ZINC000328727909 1022488847 /nfs/dbraw/zinc/48/88/47/1022488847.db2.gz DMZILBQNYPYXLF-PWSUYJOCSA-N 0 0 337.445 3.587 10 30 EHEERN O=C(CNC(=O)c1ccc2c(c1)CCC2)N[C@H]1CCCc2occc21 ZINC000328878496 1022493919 /nfs/dbraw/zinc/49/39/19/1022493919.db2.gz JFTNCIXUGPQANS-KRWDZBQOSA-N 0 0 338.407 3.532 10 30 EHEERN C[C@@H]1CC(CNC(=O)N2CCCC[C@@H]2c2nccs2)C[C@@H](C)O1 ZINC000329811510 1024205246 /nfs/dbraw/zinc/20/52/46/1024205246.db2.gz RKFHYGCQAXSMFC-UMVBOHGHSA-N 0 0 337.489 3.788 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1COc3cc(C)c(C)cc31)CCC2 ZINC000329962468 1024268423 /nfs/dbraw/zinc/26/84/23/1024268423.db2.gz PFZCZEGLJVWFPR-DOTOQJQBSA-N 0 0 339.439 3.818 10 30 EHEERN CCO[C@@H]1C[C@H](NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)C12CCCC2 ZINC000330054634 1024303746 /nfs/dbraw/zinc/30/37/46/1024303746.db2.gz SHNAPPBSOVVUHI-WNRNVDISSA-N 0 0 344.455 3.854 10 30 EHEERN CC[C@@H](NC(=O)[C@H]1CCO[C@@H]1c1cccnc1)c1c(C)noc1C ZINC000330072324 1024309019 /nfs/dbraw/zinc/30/90/19/1024309019.db2.gz YYMMDTZUKZVOTE-ZMSDIMECSA-N 0 0 329.400 3.872 10 30 EHEERN Cc1c(C#N)cccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000178535802 1025319212 /nfs/dbraw/zinc/31/92/12/1025319212.db2.gz OHTHGPNBCMWHQX-AWEZNQCLSA-N 0 0 326.425 3.735 10 30 EHEERN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCc2ccccc21 ZINC000329040018 1025576788 /nfs/dbraw/zinc/57/67/88/1025576788.db2.gz SLXFLYOPNQVYPE-SZVBFZGTSA-N 0 0 339.439 3.574 10 30 EHEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCSC1 ZINC000329076128 1025589280 /nfs/dbraw/zinc/58/92/80/1025589280.db2.gz CCZRDTRYKPGRLJ-SQWLQELKSA-N 0 0 337.489 3.641 10 30 EHEERN CC(C)(C#N)c1ccc(NC(=O)N2CC[C@H]3OCCC[C@@H]3C2)cc1 ZINC000121606696 1025609154 /nfs/dbraw/zinc/60/91/54/1025609154.db2.gz COLGDQZSUYXLPC-RHSMWYFYSA-N 0 0 327.428 3.521 10 30 EHEERN Cc1ccc([C@H]2OCCC[C@@H]2C(=O)N[C@@H]2CCC(=O)N[C@H]2C)cc1 ZINC000329149578 1025626014 /nfs/dbraw/zinc/62/60/14/1025626014.db2.gz YZBDPZFCAZCDEB-KMANFZQXSA-N 0 0 330.428 3.927 10 30 EHEERN CCS[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000329150070 1025630225 /nfs/dbraw/zinc/63/02/25/1025630225.db2.gz ZGOXLWVZLCIDRR-RRCSTGOVSA-N 0 0 337.489 3.519 10 30 EHEERN COc1cccc2c1OC/C(=C/c1ccc(N(C)C(C)C)nc1)C2=O ZINC000588579853 1030243024 /nfs/dbraw/zinc/24/30/24/1030243024.db2.gz XNNGNHYDCLIVRH-GDNBJRDFSA-N 0 0 338.407 3.594 10 30 EHEERN NC(=O)C1CCC(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)CC1 ZINC000329722821 1031960604 /nfs/dbraw/zinc/96/06/04/1031960604.db2.gz NLRGNTMHZVYDJN-WVIZQFPTSA-N 0 0 328.412 3.777 10 30 EHEERN C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N[C@@H](C)c1cccs1 ZINC000105506899 1033477649 /nfs/dbraw/zinc/47/76/49/1033477649.db2.gz MGDYVQZHWUZWMA-LBPRGKRZSA-N 0 0 346.408 3.641 10 30 EHEERN C[C@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccc(OCC#N)cc1 ZINC000186534701 1035655405 /nfs/dbraw/zinc/65/54/05/1035655405.db2.gz LEQPTJBYAHXWDJ-ZDUSSCGKSA-N 0 0 336.395 3.739 10 30 EHEERN Cc1cccc2c1OCC[C@@H]2NC(=O)c1cccc(SCC#N)c1 ZINC000190619227 1036268435 /nfs/dbraw/zinc/26/84/35/1036268435.db2.gz HKCVTLPIODUTNU-KRWDZBQOSA-N 0 0 338.432 3.864 10 30 EHEERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3ccc(C#N)cc3C)C2)cc1 ZINC000124398804 1038180949 /nfs/dbraw/zinc/18/09/49/1038180949.db2.gz AABFZRTWCYZLSC-CRAIPNDOSA-N 0 0 334.419 3.894 10 30 EHEERN Cc1nc([C@H](C)NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)N3C)cs1 ZINC000330246845 1041359203 /nfs/dbraw/zinc/35/92/03/1041359203.db2.gz YMAPJUHSXYLRMT-UWVGGRQHSA-N 0 0 344.440 3.944 10 30 EHEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H]2CCCc3cc(F)ccc32)cn1 ZINC000330334130 1042913043 /nfs/dbraw/zinc/91/30/43/1042913043.db2.gz QJKDVHRJHLUECS-OKZBNKHCSA-N 0 0 343.402 3.671 10 30 EHEERN COc1ccccc1N1CCC(Nc2c(C#N)cccc2C#N)CC1 ZINC000195224124 1123258756 /nfs/dbraw/zinc/25/87/56/1123258756.db2.gz AXVRNFYRTJHHTH-UHFFFAOYSA-N 0 0 332.407 3.519 10 30 EHEERN C=C(C)CN(CC)C(=O)NCCc1coc(-c2ccc(F)cc2)n1 ZINC000102567663 1137873420 /nfs/dbraw/zinc/87/34/20/1137873420.db2.gz OACAAJJFYPVLSZ-UHFFFAOYSA-N 0 0 331.391 3.631 10 30 EHEERN OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097949846 219064056 /nfs/dbraw/zinc/06/40/56/219064056.db2.gz HANSJPPGCRVCPJ-UHFFFAOYSA-N 0 0 328.121 3.862 10 30 EHEERN C=CCNc1ncnc(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-] ZINC000040588616 213355067 /nfs/dbraw/zinc/35/50/67/213355067.db2.gz VCAROXLXBHKSSI-UHFFFAOYSA-N 0 0 339.277 3.745 10 30 EHEERN CNC(SCc1ccc(Cl)c(Cl)c1)=C1C(=O)CCCC1=O ZINC000040570321 213352489 /nfs/dbraw/zinc/35/24/89/213352489.db2.gz RQFXBTPEWHSQFT-UHFFFAOYSA-N 0 0 344.263 3.980 10 30 EHEERN COc1ccc(C2(CC#N)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000035949728 213053275 /nfs/dbraw/zinc/05/32/75/213053275.db2.gz MXFQYWIJCIBBEW-UHFFFAOYSA-N 0 0 330.428 3.878 10 30 EHEERN N/C(=N\O)c1ccccc1CSc1ccccc1Br ZINC000037381234 213142702 /nfs/dbraw/zinc/14/27/02/213142702.db2.gz YCNFZIHHJJXOII-UHFFFAOYSA-N 0 0 337.242 3.836 10 30 EHEERN COc1ccccc1/C=C1\S/C(=N\c2cccc(O)c2)N(C)C1=O ZINC000016904563 211940285 /nfs/dbraw/zinc/94/02/85/211940285.db2.gz JXHIAIZPIKIRJV-OHBWFZAWSA-N 0 0 340.404 3.635 10 30 EHEERN C#CCN(Cc1ccco1)C(=O)c1cc([C@H](C)c2ccccc2)no1 ZINC000012154515 211309008 /nfs/dbraw/zinc/30/90/08/211309008.db2.gz ZYDPGRSBGHEFHN-OAHLLOKOSA-N 0 0 334.375 3.695 10 30 EHEERN CC(N=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccncc1 ZINC000095573658 218438524 /nfs/dbraw/zinc/43/85/24/218438524.db2.gz VPNILJGONDFWMI-ODLFYWEKSA-N 0 0 339.380 3.949 10 30 EHEERN COc1ccc(CO/N=C(/C)c2ccc(NC(C)=O)cc2)cc1F ZINC000096940608 258001938 /nfs/dbraw/zinc/00/19/38/258001938.db2.gz AATZFOBRVNCRPG-MTJSOVHGSA-N 0 0 330.359 3.734 10 30 EHEERN COc1ccc(CN=Nc2nc(-c3ccc(OC)cc3)cs2)cc1 ZINC000033491270 523457900 /nfs/dbraw/zinc/45/79/00/523457900.db2.gz JDKRFLVNEGWBBX-ODLFYWEKSA-N 0 0 339.420 3.695 10 30 EHEERN Cn1c2c(nc1[C@H]1CCCN1Cc1ccc(F)c(C#N)c1)CCCC2 ZINC000275581683 564009446 /nfs/dbraw/zinc/00/94/46/564009446.db2.gz FSQKOQBUHVYBBW-LJQANCHMSA-N 0 0 338.430 3.647 10 30 EHEERN O=C(NCCc1c[nH]c2ncccc12)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000328658956 1016468243 /nfs/dbraw/zinc/46/82/43/1016468243.db2.gz RYDPNVNECFWJRP-IAGOWNOFSA-N 0 0 326.444 3.578 10 30 EHEERN Cn1cc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c(-c2ccc(Cl)s2)n1 ZINC000330010605 1016727310 /nfs/dbraw/zinc/72/73/10/1016727310.db2.gz HERYTPGQMBRXHG-MWLCHTKSSA-N 0 0 334.832 3.799 10 30 EHEERN O=C(NCc1csc2ccccc12)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330071772 1017526344 /nfs/dbraw/zinc/52/63/44/1017526344.db2.gz JFSSSANBAAOLSO-HNAYVOBHSA-N 0 0 344.480 3.942 10 30 EHEERN O=C(NC1CCC(C(F)(F)F)CC1)N[C@H]1CCC(=O)NC12CCC2 ZINC000328747893 1019775355 /nfs/dbraw/zinc/77/53/55/1019775355.db2.gz PHCUOPMIAIBKNR-MCIGGMRASA-N 0 0 347.381 3.653 10 30 EHEERN COc1ccc(O)cc1C(=O)C=Cc1c[nH]nc1-c1ccccc1F ZINC000588409679 1020833450 /nfs/dbraw/zinc/83/34/50/1020833450.db2.gz MYTBRLMXYIIACX-VURMDHGXSA-N 0 0 338.338 3.826 10 30 EHEERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3ccc(C#N)cc3)C2)cc1 ZINC000120797381 1022191908 /nfs/dbraw/zinc/19/19/08/1022191908.db2.gz LSMSFQNMOHYOEJ-RHSMWYFYSA-N 0 0 335.407 3.977 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H](C)c1cc(C)cc(C)c1)CCC2 ZINC000328648922 1022453509 /nfs/dbraw/zinc/45/35/09/1022453509.db2.gz IJGPAXZUAMZICE-IRXDYDNUSA-N 0 0 340.471 3.951 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N(C)[C@@H]1CCc3ccccc31)CCC2 ZINC000328651932 1022454436 /nfs/dbraw/zinc/45/44/36/1022454436.db2.gz KDBUEINGEHAQGF-FUHWJXTLSA-N 0 0 338.455 3.602 10 30 EHEERN O=C(Nc1scnc1C1CC1)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328659455 1022455391 /nfs/dbraw/zinc/45/53/91/1022455391.db2.gz SULHXYLKZHKQJT-DZGCQCFKSA-N 0 0 344.440 3.662 10 30 EHEERN Cc1nc(CC(C)C)oc1C(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328664987 1022457999 /nfs/dbraw/zinc/45/79/99/1022457999.db2.gz YWVZUSXVDFNIRE-MAUKXSAKSA-N 0 0 343.427 3.801 10 30 EHEERN Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H](n3cccn3)C2)c(C)c1 ZINC000328688194 1022468704 /nfs/dbraw/zinc/46/87/04/1022468704.db2.gz HNMBFZZIXRADQT-IRXDYDNUSA-N 0 0 326.444 3.814 10 30 EHEERN Cc1ccccc1[C@@H]1CCCN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328848329 1022513952 /nfs/dbraw/zinc/51/39/52/1022513952.db2.gz AYVOXBSWBQGSCF-ZIFCJYIRSA-N 0 0 341.455 3.943 10 30 EHEERN C[C@@H]1C[C@@H](C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)CC(C)(C)C1 ZINC000328925133 1022547370 /nfs/dbraw/zinc/54/73/70/1022547370.db2.gz DSCGJRQUAITBMS-JYYAWHABSA-N 0 0 333.476 3.917 10 30 EHEERN C[C@@H](OC1CCCCCC1)C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C ZINC000328963163 1022555807 /nfs/dbraw/zinc/55/58/07/1022555807.db2.gz RDOFCDNAIRLKKD-RVKKMQEKSA-N 0 0 349.475 3.582 10 30 EHEERN O=C(Nc1scnc1C1CC1)N[C@H]1CCN(c2ccccc2)C1 ZINC000328909476 1022610042 /nfs/dbraw/zinc/61/00/42/1022610042.db2.gz DSBCAXDWNUDCHJ-ZDUSSCGKSA-N 0 0 328.441 3.625 10 30 EHEERN COc1cc(C(=O)/C=C\c2cncc(Br)c2)ccc1F ZINC000588476269 1023787264 /nfs/dbraw/zinc/78/72/64/1023787264.db2.gz JVOVXARNBRASBW-DJWKRKHSSA-N 0 0 336.160 3.888 10 30 EHEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)c1cccc3cc[nH]c31)C2 ZINC000329697876 1024086143 /nfs/dbraw/zinc/08/61/43/1024086143.db2.gz CMFOFMOFCLVNQY-AWEZNQCLSA-N 0 0 336.439 3.982 10 30 EHEERN C[C@@H](NC(=O)[C@H]1CCO[C@@H]1c1cccnc1)c1nc(C(C)(C)C)no1 ZINC000330113452 1024324715 /nfs/dbraw/zinc/32/47/15/1024324715.db2.gz SEYBCRLICIZOFM-KWCYVHTRSA-N 0 0 344.415 3.557 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1ncc(C(C)(C)C)s1 ZINC000330113845 1024324870 /nfs/dbraw/zinc/32/48/70/1024324870.db2.gz DHBIGMWRSSBSCI-ZWNOBZJWSA-N 0 0 334.445 3.540 10 30 EHEERN Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@H]2CCCC(C)(C)C2)cn1 ZINC000330150437 1024335570 /nfs/dbraw/zinc/33/55/70/1024335570.db2.gz KTQNDAVZFKEHPT-BJJXKVORSA-N 0 0 332.448 3.753 10 30 EHEERN O=C(NC1CC(F)(F)C1)[C@@H]1CCC[C@@H]1C(=O)NC1CC(F)(F)C1 ZINC000330286183 1024384567 /nfs/dbraw/zinc/38/45/67/1024384567.db2.gz ZQHAHTKIONMYCF-PHIMTYICSA-N 0 0 336.329 3.911 10 30 EHEERN O=C(C[C@H]1C=CCCC1)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000329101449 1025602058 /nfs/dbraw/zinc/60/20/58/1025602058.db2.gz FCHNWHLVEPNQNW-CFVMTHIKSA-N 0 0 331.416 3.870 10 30 EHEERN C[C@H](CNC(=O)C[C@H]1CCCCNC1=O)N1CCc2ccccc21 ZINC000329235181 1025686564 /nfs/dbraw/zinc/68/65/64/1025686564.db2.gz IKMDNAQQRLFSRN-GDBMZVCRSA-N 0 0 329.444 3.541 10 30 EHEERN C[C@H](NC(=O)Nc1csc2ccccc12)c1nnc2n1CCCC2 ZINC000329461691 1025883780 /nfs/dbraw/zinc/88/37/80/1025883780.db2.gz STYQSRYOZHVFGN-NSHDSACASA-N 0 0 341.440 3.916 10 30 EHEERN CCc1nc(C)c([C@H](C)Nc2cnn(-c3ncccc3C#N)c2)s1 ZINC000186026537 1026126689 /nfs/dbraw/zinc/12/66/89/1026126689.db2.gz NPMWYNDFBYLWJW-NSHDSACASA-N 0 0 338.440 3.639 10 30 EHEERN Cn1cc([C@H]2CCCN2C(=O)Nc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000171510917 1030787184 /nfs/dbraw/zinc/78/71/84/1030787184.db2.gz VZYBYQJQGPAYFR-QGZVFWFLSA-N 0 0 337.427 3.590 10 30 EHEERN C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000329595072 1031257317 /nfs/dbraw/zinc/25/73/17/1031257317.db2.gz OVLAAVKNGKIPRA-AVNXNWIJSA-N 0 0 343.254 3.920 10 30 EHEERN Cc1cc(C)c2ncc(C#N)c(N3CC[C@@]4(O)CCCC[C@H]4C3)c2c1 ZINC000301701410 1041848119 /nfs/dbraw/zinc/84/81/19/1041848119.db2.gz FYERLOGSZMBLEL-UWJYYQICSA-N 0 0 335.451 3.855 10 30 EHEERN CC[C@H](NC(=O)N1CCC[C@H]1c1csc(C)n1)C1CCOCC1 ZINC000330282704 1042807130 /nfs/dbraw/zinc/80/71/30/1042807130.db2.gz VNQNPYXZQCJPCM-HOCLYGCPSA-N 0 0 337.489 3.708 10 30 EHEERN Cc1cc(F)c(Br)cc1NC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000408305013 1042999526 /nfs/dbraw/zinc/99/95/26/1042999526.db2.gz GHIXDPHBUIYEQH-JOYOIKCWSA-N 0 0 340.196 3.710 10 30 EHEERN Cc1c(Br)ccc(NC(=O)N[C@@H]2CCC[C@@H]2C#N)c1F ZINC000408392330 1044748465 /nfs/dbraw/zinc/74/84/65/1044748465.db2.gz HPZYWDYNQRHING-MWLCHTKSSA-N 0 0 340.196 3.710 10 30 EHEERN Cc1csc(NC2CCN(c3snc(Cl)c3C#N)CC2)n1 ZINC000302243688 1128628690 /nfs/dbraw/zinc/62/86/90/1128628690.db2.gz JPNUCZQURZGIPF-UHFFFAOYSA-N 0 0 339.877 3.514 10 30 EHEERN C=CCC[C@H](CN(C)Cc1cccnc1)Oc1ccc(C(C)=O)cn1 ZINC000067434491 215145852 /nfs/dbraw/zinc/14/58/52/215145852.db2.gz CRLSDSAXICOWOP-LJQANCHMSA-N 0 0 339.439 3.525 10 30 EHEERN CCCNC(=O)c1oc2c(c1C)C(=NNc1ccccc1)CCC2 ZINC000040824172 213390043 /nfs/dbraw/zinc/39/00/43/213390043.db2.gz FQUVQWARXICELF-PXLXIMEGSA-N 0 0 325.412 3.880 10 30 EHEERN CNc1ccc(C=[NH+][N-]c2nc3ccccc3s2)cc1[N+](=O)[O-] ZINC000040161281 213277408 /nfs/dbraw/zinc/27/74/08/213277408.db2.gz RUQDIRPBMUOLSQ-RQZCQDPDSA-N 0 0 327.369 3.692 10 30 EHEERN N#C[C@]12C(=O)NC(=N)[C@@]1(C#N)[C@@H](c1ccccc1)OC1=C2CCCCC1 ZINC000096336762 218744317 /nfs/dbraw/zinc/74/43/17/218744317.db2.gz MZOHOKKQMJOREC-LSTHTHJFSA-N 0 0 346.390 3.943 10 30 EHEERN CCOc1ccc(/C=C\C(=O)c2ccccc2[N+](=O)[O-])cc1OC ZINC000033376688 517725455 /nfs/dbraw/zinc/72/54/55/517725455.db2.gz ATPMFCBFYQNFAH-NTMALXAHSA-N 0 0 327.336 3.898 10 30 EHEERN Cc1cc(N=C(Nc2ccc(Cl)cc2)n2sc(C)cc2=N)no1 ZINC000020353790 525042486 /nfs/dbraw/zinc/04/24/86/525042486.db2.gz SCJGWJXNWLRFCH-UHFFFAOYSA-N 0 0 347.831 3.935 10 30 EHEERN S=C(N/N=C/c1c(Cl)cccc1Cl)N[C@H]1C[C@@H]2C=C[C@H]1C2 ZINC000001040481 563369685 /nfs/dbraw/zinc/36/96/85/563369685.db2.gz ZWGSOQFBFQKSPZ-ZBEAOZEBSA-N 0 0 340.279 3.756 10 30 EHEERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1 ZINC000328612331 564002693 /nfs/dbraw/zinc/00/26/93/564002693.db2.gz OKMOTIPFDVMREW-IWEFOYFVSA-N 0 0 327.428 3.832 10 30 EHEERN Cn1c2c(nc1[C@H]1CCCN1Cc1ccc(C#N)s1)CCCC2 ZINC000275539884 564018752 /nfs/dbraw/zinc/01/87/52/564018752.db2.gz MNQMGVPJFRXMIY-QGZVFWFLSA-N 0 0 326.469 3.569 10 30 EHEERN N#Cc1nc(NCc2cnn(-c3ccc(F)cc3F)c2)ccc1Cl ZINC000067370595 564165747 /nfs/dbraw/zinc/16/57/47/564165747.db2.gz UTJQEAINMNFTQE-UHFFFAOYSA-N 0 0 345.740 3.683 10 30 EHEERN O=C(CN1C(=O)CSc2ccccc21)NCCC1=CCCCC1 ZINC000000218702 1014153002 /nfs/dbraw/zinc/15/30/02/1014153002.db2.gz ARLIWCCWEATUMH-UHFFFAOYSA-N 0 0 330.453 3.972 10 30 EHEERN O=C(N[C@@H]1CCSC1)C1CCC(C(=O)N[C@@H]2CCSC2)CC1 ZINC000329792209 1032390313 /nfs/dbraw/zinc/39/03/13/1032390313.db2.gz FHKZUIZAAMFJFO-NWINJMCUSA-N 0 0 342.530 3.717 10 30 EHEERN Cn1c(=O)sc2cc(/C=C3\CCc4c(O)cccc4C3=O)ccc21 ZINC000588598738 1032450445 /nfs/dbraw/zinc/45/04/45/1032450445.db2.gz XTJUYBXMNCLFFR-FMIVXFBMSA-N 0 0 337.400 3.518 10 30 EHEERN Cc1ccc([C@H](NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)C2CC2)cc1 ZINC000330103108 1017804174 /nfs/dbraw/zinc/80/41/74/1017804174.db2.gz GMHZNXNZTFDVCU-IRFCIJBXSA-N 0 0 342.483 3.987 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000328702285 1018537786 /nfs/dbraw/zinc/53/77/86/1018537786.db2.gz NTCFJXNZMJZCRQ-AVGNSLFASA-N 0 0 329.366 3.647 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000333523533 1019860118 /nfs/dbraw/zinc/86/01/18/1019860118.db2.gz OKBZHWLUPYIXIK-JQWIXIFHSA-N 0 0 349.232 3.535 10 30 EHEERN CC(=O)Nc1ccc(C(=O)C=Cc2c[nH]c(-c3ccccc3)n2)cc1 ZINC000588419567 1021187340 /nfs/dbraw/zinc/18/73/40/1021187340.db2.gz XGIDFTYAGJRTRE-QXMHVHEDSA-N 0 0 331.375 3.931 10 30 EHEERN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@H]2CCCn3ncnc32)cc1 ZINC000328616738 1022448825 /nfs/dbraw/zinc/44/88/25/1022448825.db2.gz SUGPVFDTIWJMDN-ULQDDVLXSA-N 0 0 340.427 3.546 10 30 EHEERN C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)CC(C)(C)C1 ZINC000328684133 1022466755 /nfs/dbraw/zinc/46/67/55/1022466755.db2.gz DWAWXBGMPKMVSY-QZWWFDLISA-N 0 0 337.504 3.973 10 30 EHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@H]1COc2ccc(Cl)cc2C1 ZINC000328740481 1022478894 /nfs/dbraw/zinc/47/88/94/1022478894.db2.gz LTGFMUZTBNUWAS-IUODEOHRSA-N 0 0 348.830 3.889 10 30 EHEERN CC(C)[C@H]1CC[C@H](C(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000328975151 1022558417 /nfs/dbraw/zinc/55/84/17/1022558417.db2.gz WBEDMEPKFUPTDD-NBOOPKSLSA-N 0 0 333.476 3.917 10 30 EHEERN CC(C)c1ccc2c(c1)[C@H](NC(=O)N[C@@H]1CCCNC1=O)CCC2 ZINC000328943628 1022751024 /nfs/dbraw/zinc/75/10/24/1022751024.db2.gz ULDKQDGBLPYVIM-IAGOWNOFSA-N 0 0 329.444 3.810 10 30 EHEERN CCOc1ccc(O)c(/C=N\Cc2ncc(-c3ccccc3)cn2)c1 ZINC000588460221 1023228221 /nfs/dbraw/zinc/22/82/21/1023228221.db2.gz QYQXASKSBUZAKI-NHDPSOOVSA-N 0 0 333.391 3.867 10 30 EHEERN Cn1nccc1C1CCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000329831166 1024215974 /nfs/dbraw/zinc/21/59/74/1024215974.db2.gz KACOTRQKSXEXBH-CGTJXYLNSA-N 0 0 344.503 3.872 10 30 EHEERN CCc1noc(-c2ccc(C)c(NC(=O)N3C[C@H]4CCC[C@@H]43)c2)n1 ZINC000329940387 1024259357 /nfs/dbraw/zinc/25/93/57/1024259357.db2.gz UKNJTHKVUPQDJU-HIFRSBDPSA-N 0 0 326.400 3.637 10 30 EHEERN Cn1nccc1N1CCC[C@H](NC(=O)[C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000329970494 1024270664 /nfs/dbraw/zinc/27/06/64/1024270664.db2.gz XEXZTADCQDAOKK-YESZJQIVSA-N 0 0 330.476 3.562 10 30 EHEERN CC1(C)CCCC[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000329982734 1024275214 /nfs/dbraw/zinc/27/52/14/1024275214.db2.gz PCUBRAWVATWIOE-SOUVJXGZSA-N 0 0 334.439 3.566 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000330039603 1024299124 /nfs/dbraw/zinc/29/91/24/1024299124.db2.gz BAEXLNOPOFCVHV-ZNFSNMQZSA-N 0 0 331.460 3.813 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCc2ccc(F)cc21 ZINC000330044248 1024299855 /nfs/dbraw/zinc/29/98/55/1024299855.db2.gz CUZWEVFBCDNXPU-UWWQBHOKSA-N 0 0 343.402 3.671 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCSc2ccccc21 ZINC000330060567 1024308238 /nfs/dbraw/zinc/30/82/38/1024308238.db2.gz MWXASSNZJDMDHD-JKIFEVAISA-N 0 0 343.452 3.691 10 30 EHEERN CC1(C)C[C@@H](Nc2cnn(-c3ncccc3C#N)c2)c2ccccc21 ZINC000186002592 1024377456 /nfs/dbraw/zinc/37/74/56/1024377456.db2.gz XRCBJEZVMJABHZ-GOSISDBHSA-N 0 0 329.407 3.973 10 30 EHEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)cn1 ZINC000330341735 1025024591 /nfs/dbraw/zinc/02/45/91/1025024591.db2.gz ZQWYCYPXCDVMOL-VSZNYVQBSA-N 0 0 349.475 3.531 10 30 EHEERN O=C(C[C@@H]1C[C@H]1c1ccccc1)NC[C@@H]1CCC[C@]12NC(=O)NC2=O ZINC000329153883 1025630080 /nfs/dbraw/zinc/63/00/80/1025630080.db2.gz BTONXUYMZJBPEX-XLPNERPQSA-N 0 0 341.411 3.560 10 30 EHEERN Cc1cc(C(C)C)nc(N2CCN([C@@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000187728263 1025746509 /nfs/dbraw/zinc/74/65/09/1025746509.db2.gz UEYBYULUSRNHGG-KRWDZBQOSA-N 0 0 349.482 3.663 10 30 EHEERN COc1cc(C=NOCc2ccc(C)nc2C)cc(Cl)c1OC ZINC000588510235 1025750605 /nfs/dbraw/zinc/75/06/05/1025750605.db2.gz YZDVAPVREWQYNC-UHFFFAOYSA-N 0 0 334.803 3.920 10 30 EHEERN CC[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1cccc([N+](=O)[O-])c1 ZINC000186006487 1025928123 /nfs/dbraw/zinc/92/81/23/1025928123.db2.gz GKOCSIVLRYTQFF-KRWDZBQOSA-N 0 0 348.366 3.610 10 30 EHEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1cc(F)ccc1F ZINC000186011609 1025945068 /nfs/dbraw/zinc/94/50/68/1025945068.db2.gz ZCAUXXXRFQCIKX-LLVKDONJSA-N 0 0 325.322 3.590 10 30 EHEERN N#C[C@@H]1CN([C@@H]2C[C@H]2c2ccccc2)C[C@@]12c1ccccc1NC2=O ZINC000329606815 1026065477 /nfs/dbraw/zinc/06/54/77/1026065477.db2.gz IDFAUDDHNBYAAN-ZEVBXJOLSA-N 0 0 329.403 3.537 10 30 EHEERN N#C[C@@H]1CCC[C@H]1NCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000333584381 1028172150 /nfs/dbraw/zinc/17/21/50/1028172150.db2.gz KNJSSDHYDBUYQC-QFBILLFUSA-N 0 0 331.504 3.762 10 30 EHEERN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)Cc1ccc(OCC#N)cc1 ZINC000247543256 1028801085 /nfs/dbraw/zinc/80/10/85/1028801085.db2.gz YEYDQXDSWWEEJY-CBGDNZLLSA-N 0 0 348.446 3.925 10 30 EHEERN O=C(Nc1ccc2c(c1)CCCO2)N[C@H]1CCN(c2ccccc2)C1 ZINC000329337259 1030449802 /nfs/dbraw/zinc/44/98/02/1030449802.db2.gz YGMSQIMUKGFGLF-KRWDZBQOSA-N 0 0 337.423 3.616 10 30 EHEERN Cc1cnn([C@@H]2CCCN(C(=O)N[C@H]3CSc4ccccc43)C2)c1 ZINC000329497081 1030935479 /nfs/dbraw/zinc/93/54/79/1030935479.db2.gz DZBYWDKGTDPNAU-ZBFHGGJFSA-N 0 0 342.468 3.589 10 30 EHEERN Cc1nc(NC(=O)[C@H]2Oc3ccccc3[C@@H]2C)sc1SCC#N ZINC000117612895 1031780540 /nfs/dbraw/zinc/78/05/40/1031780540.db2.gz HUPSZRJRWJYMOX-ZANVPECISA-N 0 0 345.449 3.570 10 30 EHEERN CC(C)(CNC(=O)[C@H]1CCCCC(=O)N1)c1ccc2c(c1)OCO2 ZINC000329877383 1033608075 /nfs/dbraw/zinc/60/80/75/1033608075.db2.gz JGGPVQKVQMVWEN-CYBMUJFWSA-N 0 0 332.400 3.549 10 30 EHEERN C=CC[C@H](C(=O)N1CCO[C@@H](c2ccc(C)o2)C1)c1ccccc1 ZINC000187219440 1035790369 /nfs/dbraw/zinc/79/03/69/1035790369.db2.gz AKYBSKIBWPVCCZ-PKOBYXMFSA-N 0 0 325.408 3.848 10 30 EHEERN COc1ccc([C@@H](C)NC(=O)Nc2ccc(F)c(C#N)c2)cc1F ZINC000102955680 1036771860 /nfs/dbraw/zinc/77/18/60/1036771860.db2.gz KDIIYVMTAFNUKP-SNVBAGLBSA-N 0 0 331.322 3.728 10 30 EHEERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3sccc3C#N)C2)cc1 ZINC000122333184 1037526851 /nfs/dbraw/zinc/52/68/51/1037526851.db2.gz BPQHIPZPGDFGAZ-SWLSCSKDSA-N 0 0 326.421 3.647 10 30 EHEERN Cc1cc(C)c2ncc(C#N)c(N3CC[C@]4(O)CCCC[C@@H]4C3)c2c1 ZINC000301701407 1041848664 /nfs/dbraw/zinc/84/86/64/1041848664.db2.gz FYERLOGSZMBLEL-DYESRHJHSA-N 0 0 335.451 3.855 10 30 EHEERN C#CCOc1ccc([C@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000162522752 1042732639 /nfs/dbraw/zinc/73/26/39/1042732639.db2.gz WUSXQTICIMOACF-YWZLYKJASA-N 0 0 346.434 3.565 10 30 EHEERN O=S(=O)(c1ccc(/N=C/c2ccc(F)cc2)cc1)N1CCCCC1 ZINC000100042198 219089239 /nfs/dbraw/zinc/08/92/39/219089239.db2.gz SXVIEBVDMIFOMD-XSFVSMFZSA-N 0 0 346.427 3.751 10 30 EHEERN Cc1ccc(S(=O)(=O)/N=C\c2ccc(C(F)(F)F)cc2)cc1 ZINC000100139921 219092663 /nfs/dbraw/zinc/09/26/63/219092663.db2.gz PORBHQWXDLUOLN-GRSHGNNSSA-N 0 0 327.327 3.822 10 30 EHEERN O=C1CS/C(=N/N=C/c2ccc(Cl)cc2)N1c1ccccc1 ZINC000102810793 219231886 /nfs/dbraw/zinc/23/18/86/219231886.db2.gz RKLRPFNWXLBCHE-MXVZNEBHSA-N 0 0 329.812 3.810 10 30 EHEERN CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103542363 219313852 /nfs/dbraw/zinc/31/38/52/219313852.db2.gz ZBWQDHMEFXKNOR-UHFFFAOYSA-N 0 0 342.104 3.653 10 30 EHEERN N/C(=N\O)c1ccc(Oc2ccc(Cl)cc2Br)cc1 ZINC000019866103 212077339 /nfs/dbraw/zinc/07/73/39/212077339.db2.gz PLJHRJUUEYDKHC-UHFFFAOYSA-N 0 0 341.592 3.989 10 30 EHEERN C#CCCCCCCCCCCC[C@H](O)C[C@@H](CO)OC(C)=O ZINC000015270284 211809891 /nfs/dbraw/zinc/80/98/91/211809891.db2.gz LQFANUWEWSJRJG-OALUTQOASA-N 0 0 326.477 3.586 10 30 endogenous,in-man EHEERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCOc1cc(C#N)ccn1 ZINC000095086335 218277257 /nfs/dbraw/zinc/27/72/57/218277257.db2.gz VAKGNQXADJKYFS-HNNXBMFYSA-N 0 0 331.416 3.512 10 30 EHEERN Cc1sc(=NN=Cc2ccc([N+](=O)[O-])o2)[nH]c1-c1ccc(C)cc1 ZINC000004930224 210327181 /nfs/dbraw/zinc/32/71/81/210327181.db2.gz MBRKNYUZMFGQSH-RQZCQDPDSA-N 0 0 342.380 3.796 10 30 EHEERN CCOC(=O)C(CCc1ccccc1)N=Nc1ncnc2ccccc21 ZINC000038333741 520397734 /nfs/dbraw/zinc/39/77/34/520397734.db2.gz CWWJMAJYEBIXLM-PTGBLXJZSA-N 0 0 348.406 3.594 10 30 EHEERN COc1ccc(Cl)cc1C(=O)O/N=C1\C=C(C(C)C)C(=O)C=C1C ZINC000020033884 524199070 /nfs/dbraw/zinc/19/90/70/524199070.db2.gz UTIAQJHNWAMWIC-HMMYKYKNSA-N 0 0 347.798 3.973 10 30 EHEERN O=S(=O)(c1ccc(/N=C/c2ccccc2)cc1)N1CCCCC1 ZINC000100037975 527269853 /nfs/dbraw/zinc/26/98/53/527269853.db2.gz CWISYOIGIPRNGV-XDJHFCHBSA-N 0 0 328.437 3.612 10 30 EHEERN C=C(COCC)C(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960308 564177106 /nfs/dbraw/zinc/17/71/06/564177106.db2.gz DCNDQRNIAJSHIS-UHFFFAOYSA-N 0 0 333.428 3.586 10 30 EHEERN Cc1cnc([C@H](C)NC(=O)N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)o1 ZINC000328616344 1016244415 /nfs/dbraw/zinc/24/44/15/1016244415.db2.gz SKPXJGHLDSIEMJ-YGTYGHESSA-N 0 0 347.459 3.628 10 30 EHEERN N#Cc1ccccc1Cn1cccc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000189742081 1016707135 /nfs/dbraw/zinc/70/71/35/1016707135.db2.gz PNGXDUPFCFJTHG-SFTDATJTSA-N 0 0 335.451 3.551 10 30 EHEERN O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330046112 1017141713 /nfs/dbraw/zinc/14/17/13/1017141713.db2.gz GSFYVUMOBYIQPT-PAEKIEAGSA-N 0 0 326.440 3.940 10 30 EHEERN C[C@@]12CN(C(=O)c3cc(-c4cccc(C#N)c4)no3)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000333307267 1019078070 /nfs/dbraw/zinc/07/80/70/1019078070.db2.gz DAAMMCQPKOUGJZ-IOFRSVQKSA-N 0 0 347.418 3.721 10 30 EHEERN Cc1nc(-c2ccccc2NC(=O)N[C@H]2CCC[C@@H]2C#N)cs1 ZINC000333436919 1019558003 /nfs/dbraw/zinc/55/80/03/1019558003.db2.gz LAVUMKZPQQKZOA-OCCSQVGLSA-N 0 0 326.425 3.932 10 30 EHEERN CCCCCCCCc1nnc(NC(=O)/C=C\c2ccncn2)s1 ZINC000588403009 1020546210 /nfs/dbraw/zinc/54/62/10/1020546210.db2.gz KMEDYJSPQQNGQE-KTKRTIGZSA-N 0 0 345.472 3.883 10 30 EHEERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1CCc2n[nH]cc2C1 ZINC000328774808 1020847786 /nfs/dbraw/zinc/84/77/86/1020847786.db2.gz BXXJXEYATLSWBQ-MDZLAQPJSA-N 0 0 329.366 3.840 10 30 EHEERN CC(C)(C(=O)N[C@@H]1CCCc2cc(F)ccc21)S(=O)(=O)C1CC1 ZINC000328792725 1020941305 /nfs/dbraw/zinc/94/13/05/1020941305.db2.gz AKEAXABNMXHWOF-OAHLLOKOSA-N 0 0 339.432 3.515 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1C[C@H](C)[C@H]1c1ccccc1)CCC2 ZINC000328641324 1022452085 /nfs/dbraw/zinc/45/20/85/1022452085.db2.gz DCHZAGQJTLJJPI-WBAXXEDZSA-N 0 0 338.455 3.676 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N(C)[C@H](C)c1cccs1)CCC2 ZINC000328660595 1022456719 /nfs/dbraw/zinc/45/67/19/1022456719.db2.gz VQGUVBSKQIGQMS-KGLIPLIRSA-N 0 0 332.473 3.737 10 30 EHEERN O=C(NC1CCC2(CC2)CC1)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328693594 1022467495 /nfs/dbraw/zinc/46/74/95/1022467495.db2.gz FRVKNTGAHFLSCG-DLBZAZTESA-N 0 0 329.444 3.528 10 30 EHEERN CCS[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCC(=O)NC12CCC2 ZINC000328761305 1022481992 /nfs/dbraw/zinc/48/19/92/1022481992.db2.gz YDJJEKSMPDBLTK-MJBXVCDLSA-N 0 0 339.505 3.596 10 30 EHEERN O=C(NCc1csc2ccccc12)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328761286 1022482013 /nfs/dbraw/zinc/48/20/13/1022482013.db2.gz YCUDSGAJVBTUKD-OAHLLOKOSA-N 0 0 343.452 3.947 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H](C)c1ccc(C)c(F)c1)CCC2 ZINC000328727663 1022488626 /nfs/dbraw/zinc/48/86/26/1022488626.db2.gz VDRSDYVGEJNHEM-HOCLYGCPSA-N 0 0 344.434 3.781 10 30 EHEERN O=C(CNC(=O)c1ccc2c(c1)CCC2)N[C@@H]1CCCc2occc21 ZINC000328878499 1022493217 /nfs/dbraw/zinc/49/32/17/1022493217.db2.gz JFTNCIXUGPQANS-QGZVFWFLSA-N 0 0 338.407 3.532 10 30 EHEERN C[C@H](NC(=O)C[C@H]1CCCCNC1=O)c1ccc2c(c1)OCCO2 ZINC000328855194 1022517509 /nfs/dbraw/zinc/51/75/09/1022517509.db2.gz JVRGWALDVKUDOE-GXTWGEPZSA-N 0 0 332.400 3.622 10 30 EHEERN CCc1noc(-c2ccc(C)c(NC(=O)N3C[C@H]4CCC[C@H]43)c2)n1 ZINC000329940389 1024259026 /nfs/dbraw/zinc/25/90/26/1024259026.db2.gz UKNJTHKVUPQDJU-UKRRQHHQSA-N 0 0 326.400 3.637 10 30 EHEERN O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1C[C@@H]2CCC[C@@H]21 ZINC000329945536 1024261832 /nfs/dbraw/zinc/26/18/32/1024261832.db2.gz XGQPEJHPUNULQM-KWQFWETISA-N 0 0 325.290 3.876 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1nc2c(s1)CCCCC2 ZINC000330111124 1024321100 /nfs/dbraw/zinc/32/11/00/1024321100.db2.gz QYMYMQVWVQXNMP-IAQYHMDHSA-N 0 0 346.456 3.511 10 30 EHEERN CC(C)c1ccc2c(c1)[C@@H]([NH+]=C([O-])N1CCc3cncnc3C1)CC2 ZINC000330285723 1024385429 /nfs/dbraw/zinc/38/54/29/1024385429.db2.gz ZHKAUTWMTFKIIT-SFHVURJKSA-N 0 0 336.439 3.560 10 30 EHEERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000329136270 1025622064 /nfs/dbraw/zinc/62/20/64/1025622064.db2.gz QYTVOXOOBBYBBI-OIISXLGYSA-N 0 0 326.444 3.583 10 30 EHEERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000329508251 1025935008 /nfs/dbraw/zinc/93/50/08/1025935008.db2.gz XBHIRKFLHHAPAP-MZBWOGCUSA-N 0 0 341.517 3.905 10 30 EHEERN N#Cc1cccc(Cl)c1N1CCCN(C(=O)c2cccs2)CC1 ZINC000078251823 1027565157 /nfs/dbraw/zinc/56/51/57/1027565157.db2.gz KTSOZCBGJZFYHF-UHFFFAOYSA-N 0 0 345.855 3.626 10 30 EHEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1C[C@H]1c1ccco1 ZINC000130184975 1027643503 /nfs/dbraw/zinc/64/35/03/1027643503.db2.gz VNFHNNQVFMGYBI-CVEARBPZSA-N 0 0 326.352 3.506 10 30 EHEERN C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000248534525 1028886878 /nfs/dbraw/zinc/88/68/78/1028886878.db2.gz GEWCYYVUWPZXJG-FNXXIHLHSA-N 0 0 332.403 3.820 10 30 EHEERN N#CCSc1cccc(C(=O)N2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000079804781 1029725580 /nfs/dbraw/zinc/72/55/80/1029725580.db2.gz FFFQGSPSAWYLRU-QGZVFWFLSA-N 0 0 337.448 3.629 10 30 EHEERN Cc1noc([C@@H]2CCCN2C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)n1 ZINC000329188515 1029980386 /nfs/dbraw/zinc/98/03/86/1029980386.db2.gz BQMDISGJXTUDHR-UTUOFQBUSA-N 0 0 346.353 3.550 10 30 EHEERN N#CC1(c2ccc(C(=O)N3CCC(Cc4ccccn4)CC3)cc2)CC1 ZINC000180353336 1031843465 /nfs/dbraw/zinc/84/34/65/1031843465.db2.gz WJZLNBCXDAHTAP-UHFFFAOYSA-N 0 0 345.446 3.732 10 30 EHEERN Cc1cc2cc(CNC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)ccc2[nH]1 ZINC000329716895 1031932941 /nfs/dbraw/zinc/93/29/41/1031932941.db2.gz XAMAMDTVDSPVAB-FXAWDEMLSA-N 0 0 341.455 3.517 10 30 EHEERN C#CCC(C)(C)C(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000185558289 1035494752 /nfs/dbraw/zinc/49/47/52/1035494752.db2.gz JEWWHELPXQYYMG-KRWDZBQOSA-N 0 0 335.451 3.832 10 30 EHEERN C=C[C@](C)(CCOC)C(=O)N1C[C@@H](c2ccc(OC)cc2)C[C@H]1C ZINC000188933462 1036014170 /nfs/dbraw/zinc/01/41/70/1036014170.db2.gz VACBJTJRICWEFJ-OXFYSEKESA-N 0 0 331.456 3.628 10 30 EHEERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3sccc3C#N)C2)cc1 ZINC000122332932 1037530740 /nfs/dbraw/zinc/53/07/40/1037530740.db2.gz BPQHIPZPGDFGAZ-IUODEOHRSA-N 0 0 326.421 3.647 10 30 EHEERN C#Cc1cccc(N(C(=O)[C@H]2CC(=O)Nc3ccccc32)C(C)C)c1 ZINC000102909068 1037586311 /nfs/dbraw/zinc/58/63/11/1037586311.db2.gz RIXAVCRJVIFAOT-SFHVURJKSA-N 0 0 332.403 3.535 10 30 EHEERN O=C(NCc1ccc(C2CC2)cc1F)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330205120 1038656628 /nfs/dbraw/zinc/65/66/28/1038656628.db2.gz DFGRZKSHZUJTRI-FXAWDEMLSA-N 0 0 346.446 3.744 10 30 EHEERN COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000332844558 1040146944 /nfs/dbraw/zinc/14/69/44/1040146944.db2.gz NTUFPXLVJORKMI-MVJTYMMSSA-N 0 0 341.455 3.870 10 30 EHEERN Cc1ccc(C(=O)N2CC[C@@H]3CCC[C@H]32)cc1NC(=O)NC(C)(C)C ZINC000330237323 1040170016 /nfs/dbraw/zinc/17/00/16/1040170016.db2.gz HOVZEPYFKPTVNP-WMLDXEAASA-N 0 0 343.471 3.943 10 30 EHEERN CC(C)CC(=O)N1CCC(COc2ccc(C#N)c(Cl)c2)CC1 ZINC000190257348 1040994293 /nfs/dbraw/zinc/99/42/93/1040994293.db2.gz RHMTTZOVYMIOCD-UHFFFAOYSA-N 0 0 334.847 3.875 10 30 EHEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000408167910 1042074192 /nfs/dbraw/zinc/07/41/92/1042074192.db2.gz ZHLFSHHZNRFYJV-TZMCWYRMSA-N 0 0 327.384 3.542 10 30 EHEERN CC(C)(C)C(=O)Nc1nc(CC(=O)N2CC[C@H]3CCC[C@@H]32)cs1 ZINC000330291755 1042833367 /nfs/dbraw/zinc/83/33/67/1042833367.db2.gz CXRBSIMTNBBRFS-YPMHNXCESA-N 0 0 335.473 3.721 10 30 EHEERN N#CC1CCN(C(=O)NC2CC(c3ccc(F)c(Cl)c3)C2)CC1 ZINC000408256807 1042871769 /nfs/dbraw/zinc/87/17/69/1042871769.db2.gz MZUCJQYRCVDDOR-UHFFFAOYSA-N 0 0 335.810 3.670 10 30 EHEERN Cc1cc(Br)c(F)cc1NC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000408297089 1042989186 /nfs/dbraw/zinc/98/91/86/1042989186.db2.gz FRPYNYCHLAJQDN-BXKDBHETSA-N 0 0 340.196 3.710 10 30 EHEERN Cc1cc(NC(=O)N[C@H]2CCC[C@@H]2C#N)cc(C)c1Br ZINC000408367221 1043830766 /nfs/dbraw/zinc/83/07/66/1043830766.db2.gz SFDKMEWSIWCYKY-YPMHNXCESA-N 0 0 336.233 3.880 10 30 EHEERN CCc1nnc(N2CCC(c3nc(C)cs3)CC2)c(C#N)c1CC ZINC000301624246 1128599662 /nfs/dbraw/zinc/59/96/62/1128599662.db2.gz PCXFLKBMUPCXFF-UHFFFAOYSA-N 0 0 341.484 3.622 10 30 EHEERN C#Cc1cccc(N(C)C(=O)c2ccc(NC(=O)[C@H]3C[C@H]3C)cc2)c1 ZINC000103031228 1132610524 /nfs/dbraw/zinc/61/05/24/1132610524.db2.gz AYGGZKFGEMYLHT-KUHUBIRLSA-N 0 0 332.403 3.539 10 30 EHEERN CCCCCCCNC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 ZINC000104135743 219350855 /nfs/dbraw/zinc/35/08/55/219350855.db2.gz KMQZMQNTDJOQMZ-QGZVFWFLSA-N 0 0 330.472 3.743 10 30 EHEERN C=C(C)Cn1c(CNC(=O)c2ccc(OC)cc2)nc2ccccc21 ZINC000040279744 213287012 /nfs/dbraw/zinc/28/70/12/213287012.db2.gz KDPDYLIOZKLWDX-UHFFFAOYSA-N 0 0 335.407 3.551 10 30 EHEERN N#Cc1c(N)sc(S(=O)(=O)c2ccccc2)c1-c1ccccc1 ZINC000040173559 213280000 /nfs/dbraw/zinc/28/00/00/213280000.db2.gz NFJLWGRGYWRUSJ-UHFFFAOYSA-N 0 0 340.429 3.702 10 30 EHEERN CNC1=C(c2cc(C)ccn2)C(=O)[C@H](c2ccc(Cl)cc2Cl)O1 ZINC000039127591 213231239 /nfs/dbraw/zinc/23/12/39/213231239.db2.gz YQLSUUYNOGAFMJ-INIZCTEOSA-N 0 0 349.217 3.925 10 30 EHEERN COc1ccc(C(=O)/C=C/c2ccc(F)cc2F)c(OC)c1OC ZINC000027441052 212558692 /nfs/dbraw/zinc/55/86/92/212558692.db2.gz MGKJQLSYGVEKGH-VMPITWQZSA-N 0 0 334.318 3.887 10 30 EHEERN N/C(=N\O)c1ccccc1Oc1ccc(Cl)cc1Br ZINC000020076409 212099351 /nfs/dbraw/zinc/09/93/51/212099351.db2.gz CVSMEBHSCHIMGS-UHFFFAOYSA-N 0 0 341.592 3.989 10 30 EHEERN C=CCOc1ccc(C(=O)Nc2cccc(Br)n2)cc1 ZINC000049424282 214007019 /nfs/dbraw/zinc/00/70/19/214007019.db2.gz QWVKYUBADGRWKX-UHFFFAOYSA-N 0 0 333.185 3.661 10 30 EHEERN FC(F)(F)c1ccccc1NC(=S)N/N=C1\C[C@H]2CC=C[C@H]12 ZINC000013636283 211595646 /nfs/dbraw/zinc/59/56/46/211595646.db2.gz KEWKHWSOEKBVJT-QAKRPZQWSA-N 0 0 325.359 3.944 10 30 EHEERN CCCC(=O)Nc1c(C#N)cnn1-c1cc(C)c2cccc(C)c2n1 ZINC000012240682 211327648 /nfs/dbraw/zinc/32/76/48/211327648.db2.gz SDOJYDPJAJZQPP-UHFFFAOYSA-N 0 0 333.395 3.648 10 30 EHEERN O=[N+]([O-])c1cccc(NN=Cc2cc(Br)ccc2O)c1 ZINC000004921965 210323948 /nfs/dbraw/zinc/32/39/48/210323948.db2.gz JTNHQMPVIBKSMX-OVCLIPMQSA-N 0 0 336.145 3.509 10 30 EHEERN Clc1ccccc1CSc1nncn1/N=C\c1ccccn1 ZINC000033346365 526990691 /nfs/dbraw/zinc/99/06/91/526990691.db2.gz LFTBDAHELYHAMH-OCKHKDLRSA-N 0 0 329.816 3.501 10 30 EHEERN O=C(/C=C\c1ccc(Oc2ncccn2)cc1)c1ccc2c(c1)OCO2 ZINC000098023225 527656292 /nfs/dbraw/zinc/65/62/92/527656292.db2.gz CDWCXQFKWNCTJU-YWEYNIOJSA-N 0 0 346.342 3.894 10 30 EHEERN CC(C)c1noc([C@H](NC(=O)[C@@H](C)n2cccc2)C2CCOCC2)n1 ZINC000328610155 564136854 /nfs/dbraw/zinc/13/68/54/564136854.db2.gz GRPJACGPVNYPKC-UKRRQHHQSA-N 0 0 346.431 3.680 10 30 EHEERN C=C(C)CC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685959273 564177075 /nfs/dbraw/zinc/17/70/75/564177075.db2.gz QCVZKTVPCFBCAU-KRWDZBQOSA-N 0 0 346.471 3.547 10 30 EHEERN C=CCN(CC(=O)CCCOCc1ccccc1)C(=O)OC(C)(C)C ZINC000405722524 564177612 /nfs/dbraw/zinc/17/76/12/564177612.db2.gz DVWGCKICZHJHFN-UHFFFAOYSA-N 0 0 347.455 3.976 10 30 EHEERN N#C[C@H]1CCC[C@H]1NC(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000333308438 1019080020 /nfs/dbraw/zinc/08/00/20/1019080020.db2.gz MZXQVRRSWRIAFH-CZUORRHYSA-N 0 0 342.830 3.512 10 30 EHEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1ccc(C#N)cc1 ZINC000588436593 1022265908 /nfs/dbraw/zinc/26/59/08/1022265908.db2.gz HJEGHBVFWIATNR-KAMYIIQDSA-N 0 0 335.363 3.528 10 30 EHEERN O=C(N[C@@H]1CC=CCC1)N1CCOC[C@H]1c1nc2ccccc2s1 ZINC000328651701 1022453176 /nfs/dbraw/zinc/45/31/76/1022453176.db2.gz BQMHGMAVTSGWQU-HIFRSBDPSA-N 0 0 343.452 3.692 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@H]1CCCc3ccccc31)CCC2 ZINC000328653280 1022453357 /nfs/dbraw/zinc/45/33/57/1022453357.db2.gz KYNXRQPXYZZFRX-WMZOPIPTSA-N 0 0 338.455 3.650 10 30 EHEERN CCS[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328761304 1022482921 /nfs/dbraw/zinc/48/29/21/1022482921.db2.gz YDJJEKSMPDBLTK-BFHYXJOUSA-N 0 0 339.505 3.596 10 30 EHEERN O=C(C[C@@H]1CCCCNC1=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000328772515 1022486488 /nfs/dbraw/zinc/48/64/88/1022486488.db2.gz BFAAHZLPJFOOIG-HOTGVXAUSA-N 0 0 329.444 3.616 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N(C)[C@@H](C)c1ccc(C)cc1)CCC2 ZINC000328733533 1022490951 /nfs/dbraw/zinc/49/09/51/1022490951.db2.gz YCPMKSFMUBYMMK-WMZOPIPTSA-N 0 0 340.471 3.984 10 30 EHEERN CCCC(=O)N[C@H]1CCCN(C(=O)c2coc(C3CCCC3)n2)C1 ZINC000328823208 1022496881 /nfs/dbraw/zinc/49/68/81/1022496881.db2.gz RRDYCNHAOPQDST-AWEZNQCLSA-N 0 0 333.432 3.693 10 30 EHEERN CC(C)c1nc2n(n1)C[C@H](NC(=O)C[C@@H]1C[C@H]1c1ccccc1)CC2 ZINC000328929550 1022548001 /nfs/dbraw/zinc/54/80/01/1022548001.db2.gz YPSSETUOTJGOIB-BBWFWOEESA-N 0 0 338.455 3.867 10 30 EHEERN CC[C@@H](NC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C)c1c(C)noc1C ZINC000328932051 1022550249 /nfs/dbraw/zinc/55/02/49/1022550249.db2.gz BKGYMZWCLYASNK-CKEIUWERSA-N 0 0 346.431 3.600 10 30 EHEERN CCc1nc(NC(=O)[C@@H]2CCO[C@H]2c2nccn2CC)sc1C ZINC000328975166 1022558922 /nfs/dbraw/zinc/55/89/22/1022558922.db2.gz WBSBIKRVZGTZQS-DGCLKSJQSA-N 0 0 334.445 3.596 10 30 EHEERN C=CCNc1ncc(C(=O)N2CCC(c3nc(C)cs3)CC2)s1 ZINC000128518279 1023007632 /nfs/dbraw/zinc/00/76/32/1023007632.db2.gz KTIXGSKJFAPGPU-UHFFFAOYSA-N 0 0 348.497 3.526 10 30 EHEERN CC(C)c1ccc(C[C@H](C)NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc1 ZINC000329730848 1024164148 /nfs/dbraw/zinc/16/41/48/1024164148.db2.gz GIPSYBJBHOSTNM-BMGDILEWSA-N 0 0 343.471 3.706 10 30 EHEERN C[C@@H]1OCC[C@]1(C)NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000329749347 1024173868 /nfs/dbraw/zinc/17/38/68/1024173868.db2.gz HJVAHEKCJDVYJS-QOKNQOGYSA-N 0 0 344.455 3.894 10 30 EHEERN O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1C[C@H]2CCC[C@@H]21 ZINC000329807289 1024202475 /nfs/dbraw/zinc/20/24/75/1024202475.db2.gz LPUQCDGOYJOMIO-QAPCUYQASA-N 0 0 336.439 3.916 10 30 EHEERN O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1C[C@@H]2CCC[C@H]21 ZINC000329807288 1024203890 /nfs/dbraw/zinc/20/38/90/1024203890.db2.gz LPUQCDGOYJOMIO-MAUKXSAKSA-N 0 0 336.439 3.916 10 30 EHEERN O=C(Nc1ccnc(Sc2ccccn2)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000329939767 1024258501 /nfs/dbraw/zinc/25/85/01/1024258501.db2.gz UAZSZLKYGJHRSV-JSGCOSHPSA-N 0 0 326.425 3.658 10 30 EHEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)NC[C@@H]2CCc3ccccc32)cn1 ZINC000330343077 1025028002 /nfs/dbraw/zinc/02/80/02/1025028002.db2.gz BOQGIKSACIMWLX-ZYSHUDEJSA-N 0 0 339.439 3.667 10 30 EHEERN C[C@H](NC(=O)[C@@H]1CCc2ccccc21)c1ncc(Br)cn1 ZINC000329094398 1025599577 /nfs/dbraw/zinc/59/95/77/1025599577.db2.gz AYVSYFHGIHJZSB-IINYFYTJSA-N 0 0 346.228 3.987 10 30 EHEERN C[C@]1(NC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)CCCOC1 ZINC000329108183 1025604792 /nfs/dbraw/zinc/60/47/92/1025604792.db2.gz FFXKNPUGYSFQBG-APWZRJJASA-N 0 0 344.455 3.896 10 30 EHEERN Cc1cnn([C@@H]2CCCN([C@@H](C)C(=O)Nc3cccc(C)c3)C2)c1 ZINC000329188155 1025650565 /nfs/dbraw/zinc/65/05/65/1025650565.db2.gz QZKZZWVVGAMROP-FUHWJXTLSA-N 0 0 326.444 3.814 10 30 EHEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)NCC1CCCCC1)C2 ZINC000329285372 1025722536 /nfs/dbraw/zinc/72/25/36/1025722536.db2.gz OVZBLYHMYALXRT-HNNXBMFYSA-N 0 0 332.492 3.579 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCCc3ccccc32)no1 ZINC000329382287 1025797782 /nfs/dbraw/zinc/79/77/82/1025797782.db2.gz OCMGQTOWDZFSTL-CVEARBPZSA-N 0 0 326.400 3.507 10 30 EHEERN C[C@H](CC(C)(C)c1ccccc1)NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329442632 1025856731 /nfs/dbraw/zinc/85/67/31/1025856731.db2.gz NIIFFWRZMFFUPQ-DJIMGWMZSA-N 0 0 343.471 3.708 10 30 EHEERN N#C[C@@H]1CN([C@@H]2C[C@H]2c2ccccc2)C[C@]12c1ccccc1NC2=O ZINC000329606809 1026067180 /nfs/dbraw/zinc/06/71/80/1026067180.db2.gz IDFAUDDHNBYAAN-NNNWTRQLSA-N 0 0 329.403 3.537 10 30 EHEERN C#CCOc1ccc([C@H](C)N[C@@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167952338 1026624416 /nfs/dbraw/zinc/62/44/16/1026624416.db2.gz YAWVJAKQMBHUJV-MAUKXSAKSA-N 0 0 338.455 3.599 10 30 EHEERN CC(C)(C#N)c1ccc(NC(=O)N2CCO[C@@H](c3ccco3)C2)cc1 ZINC000122841478 1026789792 /nfs/dbraw/zinc/78/97/92/1026789792.db2.gz IAFWBXOBSQQLJQ-QGZVFWFLSA-N 0 0 339.395 3.686 10 30 EHEERN N#C[C@@H]1CCC[C@H]1NCC(=O)N1c2ccccc2CCc2ccccc21 ZINC000333569825 1027701421 /nfs/dbraw/zinc/70/14/21/1027701421.db2.gz IIOBZLCQOXKJBV-RBUKOAKNSA-N 0 0 345.446 3.732 10 30 EHEERN CC[C@@H]1CCCC[C@H]1NC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000329250776 1030119664 /nfs/dbraw/zinc/11/96/64/1030119664.db2.gz UOZIIVWZFUCYEI-BSWAZPDLSA-N 0 0 336.501 3.639 10 30 EHEERN C[C@]1(NC(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)CCO[C@@H]1C1CC1 ZINC000329297766 1030318384 /nfs/dbraw/zinc/31/83/84/1030318384.db2.gz LBYADFYHSHIZJW-KQTLUZQSSA-N 0 0 348.409 3.816 10 30 EHEERN N#Cc1ccc(CCC(=O)N2CC=C(c3ccccc3F)CC2)cc1 ZINC000159745734 1030340840 /nfs/dbraw/zinc/34/08/40/1030340840.db2.gz KOSGSEXHMGPWQU-UHFFFAOYSA-N 0 0 334.394 3.946 10 30 EHEERN C#CCCCCC(=O)N1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000180164851 1031865766 /nfs/dbraw/zinc/86/57/66/1031865766.db2.gz PGTRYIHHHYIETR-SFHVURJKSA-N 0 0 335.451 3.976 10 30 EHEERN O=C(Nc1ccc2c(c1)OCCO2)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329727883 1031987471 /nfs/dbraw/zinc/98/74/71/1031987471.db2.gz OXYVDQMGYFTYFT-MGPUTAFESA-N 0 0 337.375 3.786 10 30 EHEERN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1C[C@]12CCOc1ccccc12 ZINC000329727884 1032005268 /nfs/dbraw/zinc/00/52/68/1032005268.db2.gz OXYVDQMGYFTYFT-QRWLVFNGSA-N 0 0 337.375 3.786 10 30 EHEERN Cc1ccc([C@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)C2CC2)cc1 ZINC000329857143 1033408972 /nfs/dbraw/zinc/40/89/72/1033408972.db2.gz VELFWZCTAHJLIO-IBGZPJMESA-N 0 0 338.455 3.963 10 30 EHEERN Cc1ccc([C@H]2CN(C(=O)Nc3ccc(C#N)c(Cl)c3)CCO2)o1 ZINC000153048927 1036918956 /nfs/dbraw/zinc/91/89/56/1036918956.db2.gz MKMZPKBZGNZCGY-MRXNPFEDSA-N 0 0 345.786 3.719 10 30 EHEERN N#C[C@H]1CCC[C@@H]1NC(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000332899268 1040180850 /nfs/dbraw/zinc/18/08/50/1040180850.db2.gz NVDGALSRMQVESF-HIFRSBDPSA-N 0 0 327.403 3.859 10 30 EHEERN Cc1cc(C)c2ncc(C#N)c(N3CC[C@@]4(O)CCCC[C@@H]4C3)c2c1 ZINC000301701409 1041848561 /nfs/dbraw/zinc/84/85/61/1041848561.db2.gz FYERLOGSZMBLEL-UTKZUKDTSA-N 0 0 335.451 3.855 10 30 EHEERN N#C[C@@H]1N(C(=O)c2cccn2C2CCCC2)CCC[C@@]12CCCCO2 ZINC000408270267 1042903255 /nfs/dbraw/zinc/90/32/55/1042903255.db2.gz VIJPNDYENNIALF-ICSRJNTNSA-N 0 0 341.455 3.671 10 30 EHEERN Cc1ccc([C@H]2CCCN2S(=O)(=O)CC2(C#N)CCCCC2)o1 ZINC000408310618 1043023042 /nfs/dbraw/zinc/02/30/42/1043023042.db2.gz SXHNJWYPWJCVHI-OAHLLOKOSA-N 0 0 336.457 3.529 10 30 EHEERN N#Cc1cnc2ccccc2c1N1CCC(c2noc(C3CC3)n2)CC1 ZINC000302191294 1128625943 /nfs/dbraw/zinc/62/59/43/1128625943.db2.gz ZBEVLOVDGVVIKV-UHFFFAOYSA-N 0 0 345.406 3.751 10 30 EHEERN CC(=O)N1CC[C@H](Nc2ccc(C#N)cc2F)c2ccc(F)cc2C1 ZINC000302205403 1128626239 /nfs/dbraw/zinc/62/62/39/1128626239.db2.gz VWAXQRWMPQNBMA-SFHVURJKSA-N 0 0 341.361 3.742 10 30 EHEERN C=CC[C@@H]1N(C(=O)NC[C@@H]2CCCn3ccnc32)CCCC1(C)C ZINC000333205756 1137958162 /nfs/dbraw/zinc/95/81/62/1137958162.db2.gz OOVQSEMWJIJRHR-HOTGVXAUSA-N 0 0 330.476 3.537 10 30 EHEERN N#Cc1ccc(OCCC(F)(F)C(F)(F)Br)cc1 ZINC000098210937 219087217 /nfs/dbraw/zinc/08/72/17/219087217.db2.gz HTKCERXPGVGCST-UHFFFAOYSA-N 0 0 326.087 3.950 10 30 EHEERN CCCCCCCn1c(CCCNC(=O)COC)nc2ccccc21 ZINC000102146492 219187558 /nfs/dbraw/zinc/18/75/58/219187558.db2.gz BOIAVCKZZUQBEX-UHFFFAOYSA-N 0 0 345.487 3.702 10 30 EHEERN CCCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]1c1ccc(O)cc1 ZINC000040357977 213293147 /nfs/dbraw/zinc/29/31/47/213293147.db2.gz FPPAZKFTJLCZDR-KRWDZBQOSA-N 0 0 331.412 3.503 10 30 EHEERN C=CCN1CCN(C(=O)c2cc(C)c(-c3ccccc3)s2)CC1 ZINC000020337342 212120402 /nfs/dbraw/zinc/12/04/02/212120402.db2.gz FBANIRWZIFDOLU-UHFFFAOYSA-N 0 0 326.465 3.667 10 30 EHEERN COc1cc(CNc2ccc(C#N)cc2)cc(Br)c1O ZINC000019950725 212089690 /nfs/dbraw/zinc/08/96/90/212089690.db2.gz PGUALCLKUCDDCD-UHFFFAOYSA-N 0 0 333.185 3.647 10 30 EHEERN C/C(=N\O)c1cccc(NC(=O)Cc2ccc(Br)cc2)c1 ZINC000019425585 212027165 /nfs/dbraw/zinc/02/71/65/212027165.db2.gz IBAIHRDANMVMGV-YBFXNURJSA-N 0 0 347.212 3.829 10 30 EHEERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCCOc1cc(C#N)ccn1 ZINC000095086231 218277623 /nfs/dbraw/zinc/27/76/23/218277623.db2.gz NNNQRTBGGQPCGG-INIZCTEOSA-N 0 0 345.443 3.902 10 30 EHEERN COc1ccccc1C(=O)O/N=C(/c1ccccc1)c1ccncc1 ZINC000000208792 524361198 /nfs/dbraw/zinc/36/11/98/524361198.db2.gz UEOZDJBAIVSYNO-QOCHGBHMSA-N 0 0 332.359 3.700 10 30 EHEERN Cc1cc(C(=O)N[C@@H](c2nc(C)no2)C2CCOCC2)c(C)s1 ZINC000328614677 564136904 /nfs/dbraw/zinc/13/69/04/564136904.db2.gz WPJLRFXNQNJIDO-CQSZACIVSA-N 0 0 335.429 3.529 10 30 EHEERN Cc1nc2c(s1)CCC[C@@H]2CN(C)C(=O)c1cccc(C#N)c1 ZINC000328621789 564136972 /nfs/dbraw/zinc/13/69/72/564136972.db2.gz HYERSCJGWGWVHJ-OAHLLOKOSA-N 0 0 325.437 3.515 10 30 EHEERN C[C@H](N[C@@H](c1nccn1C)c1cccc(F)c1)c1ccc(C#N)s1 ZINC000134719825 1015756548 /nfs/dbraw/zinc/75/65/48/1015756548.db2.gz QNBZRWQSBIGJCG-YVEFUNNKSA-N 0 0 340.427 3.933 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000330131478 1017994088 /nfs/dbraw/zinc/99/40/88/1017994088.db2.gz KZESTZALFMMPLJ-SOLBZPMBSA-N 0 0 343.402 3.671 10 30 EHEERN O=C(N[C@H](c1cccs1)C1CC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330162468 1018542471 /nfs/dbraw/zinc/54/24/71/1018542471.db2.gz ULUSAZJDWYQBPL-UWWQBHOKSA-N 0 0 334.485 3.740 10 30 EHEERN Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N[C@@H]2CCCn3ncnc32)cc1 ZINC000328616737 1022449441 /nfs/dbraw/zinc/44/94/41/1022449441.db2.gz SUGPVFDTIWJMDN-BBWFWOEESA-N 0 0 340.427 3.546 10 30 EHEERN C[C@@H]1Cc2ccccc2N1CCNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328634487 1022452203 /nfs/dbraw/zinc/45/22/03/1022452203.db2.gz BOBNOIJCYHAWMX-ZBFHGGJFSA-N 0 0 329.444 3.683 10 30 EHEERN C[C@H](CC(=O)N[C@@H]1CCC(=O)NC12CCC2)NC(=O)c1ccccc1 ZINC000328719596 1022462813 /nfs/dbraw/zinc/46/28/13/1022462813.db2.gz VSOVVDQISUIWDM-UKRRQHHQSA-N 0 0 343.427 3.768 10 30 EHEERN CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@@H]2CCC(=O)NC23CCC3)C1 ZINC000328681825 1022466614 /nfs/dbraw/zinc/46/66/14/1022466614.db2.gz CTITZCFCQBRLQV-BFHYXJOUSA-N 0 0 339.505 3.548 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCC(=O)c3ccccc31)CCC2 ZINC000328816393 1022494008 /nfs/dbraw/zinc/49/40/08/1022494008.db2.gz OQHRXYQWPJGPFF-YOEHRIQHSA-N 0 0 337.423 3.786 10 30 EHEERN Cc1cc([C@@H]2CCCN2C(=O)NC2C3CC4CC(C3)CC2C4)on1 ZINC000328783077 1022500418 /nfs/dbraw/zinc/50/04/18/1022500418.db2.gz GIPVJZJSDWMRJZ-STWSTGMMSA-N 0 0 329.444 3.859 10 30 EHEERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCCO[C@@H]1CCCC[C@H]1C ZINC000328895145 1022529735 /nfs/dbraw/zinc/52/97/35/1022529735.db2.gz BEOAYPDVNNZKRJ-BRSBDYLESA-N 0 0 345.487 3.706 10 30 EHEERN C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCn3ncc(C(N)=O)c3C2)CC(C)(C)C1 ZINC000328922022 1022547921 /nfs/dbraw/zinc/54/79/21/1022547921.db2.gz UFNRTYXRQURWKA-MCIONIFRSA-N 0 0 346.475 3.748 10 30 EHEERN CCOc1cc2c(cc1/C=C\C(=O)OCC1(C#N)CCC1)O[C@H](C)C2 ZINC000588477916 1023875305 /nfs/dbraw/zinc/87/53/05/1023875305.db2.gz VUAFFEKILRMXHW-GEXIGZQTSA-N 0 0 341.407 3.659 10 30 EHEERN CC1(C)CCC[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)C1 ZINC000329980780 1024273810 /nfs/dbraw/zinc/27/38/10/1024273810.db2.gz MAHLAWVEXXIYLR-ILXRZTDVSA-N 0 0 334.439 3.566 10 30 EHEERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCC[C@H]1c1nccs1 ZINC000330215516 1024358859 /nfs/dbraw/zinc/35/88/59/1024358859.db2.gz MMSZIBIAFRNDSR-ILXRZTDVSA-N 0 0 337.489 3.645 10 30 EHEERN CCOc1ccc([C@@H](C)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000185999577 1024361835 /nfs/dbraw/zinc/36/18/35/1024361835.db2.gz JDXCAFRWOLGZSY-CQSZACIVSA-N 0 0 333.395 3.711 10 30 EHEERN CCCc1c(NC(=O)N2C[C@@H]3CCC[C@@H]32)cnn1-c1ccc(F)cc1 ZINC000330259827 1024376598 /nfs/dbraw/zinc/37/65/98/1024376598.db2.gz SHAGEOLGBCTVCG-GUYCJALGSA-N 0 0 342.418 3.994 10 30 EHEERN CC(C)c1ccc2c(c1)[C@H]([NH+]=C([O-])N1CCc3cncnc3C1)CC2 ZINC000330285722 1024384150 /nfs/dbraw/zinc/38/41/50/1024384150.db2.gz ZHKAUTWMTFKIIT-GOSISDBHSA-N 0 0 336.439 3.560 10 30 EHEERN C[C@H](C(=O)NCC1CCCCC1)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329045214 1025579895 /nfs/dbraw/zinc/57/98/95/1025579895.db2.gz PPTRSMLTSYNHJE-CZUORRHYSA-N 0 0 346.475 3.662 10 30 EHEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1cc(F)c(F)c(F)c1 ZINC000186006313 1025917961 /nfs/dbraw/zinc/91/79/61/1025917961.db2.gz NYIQZPUATDOSPL-JTQLQIEISA-N 0 0 343.312 3.729 10 30 EHEERN Cc1c2ccccc2oc1[C@H](C)NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329494001 1025922832 /nfs/dbraw/zinc/92/28/32/1025922832.db2.gz ULAGRUIJLDDDCB-NWANDNLSSA-N 0 0 341.411 3.767 10 30 EHEERN COc1ccc([C@@H](Nc2cnn(-c3ncccc3C#N)c2)C2CC2)cc1 ZINC000186007308 1025928417 /nfs/dbraw/zinc/92/84/17/1025928417.db2.gz HJVDSPHGYMANHC-IBGZPJMESA-N 0 0 345.406 3.711 10 30 EHEERN CN(CC1(O)CCC1)C(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000329500882 1025932387 /nfs/dbraw/zinc/93/23/87/1025932387.db2.gz HMBQNWSNERAJPF-MRXNPFEDSA-N 0 0 344.455 3.584 10 30 EHEERN N#Cc1cccnc1-n1cc(N[C@@H]2CCCOc3cc(F)ccc32)cn1 ZINC000186014989 1026098360 /nfs/dbraw/zinc/09/83/60/1026098360.db2.gz AOMDXWOUKSCYFO-QGZVFWFLSA-N 0 0 349.369 3.604 10 30 EHEERN O=C(Nc1cccc2c1OCO2)NC1CCC(C(F)(F)F)CC1 ZINC000329490680 1030914796 /nfs/dbraw/zinc/91/47/96/1030914796.db2.gz YVZKKCFRWWPLHS-UHFFFAOYSA-N 0 0 330.306 3.862 10 30 EHEERN C=CCCCCCN(C)C(=O)C1CCN(C(=O)c2cccs2)CC1 ZINC000172466364 1030947654 /nfs/dbraw/zinc/94/76/54/1030947654.db2.gz DXSGYKOTCZQOGU-UHFFFAOYSA-N 0 0 348.512 3.805 10 30 EHEERN N#CC1(C(=O)N2CCC(Nc3ccccc3F)CC2)CCCCC1 ZINC000174066503 1031160878 /nfs/dbraw/zinc/16/08/78/1031160878.db2.gz IVASXMNPSZEUIL-UHFFFAOYSA-N 0 0 329.419 3.703 10 30 EHEERN C=C[C@](C)(CCOC)C(=O)N1C[C@H](c2ccc(OC)cc2)C[C@@H]1C ZINC000188933533 1036015259 /nfs/dbraw/zinc/01/52/59/1036015259.db2.gz VACBJTJRICWEFJ-XAUMDUMWSA-N 0 0 331.456 3.628 10 30 EHEERN O=C(NC1CCC(C(F)(F)F)CC1)N[C@H]1CCOC2(CCC2)C1 ZINC000330216312 1038792047 /nfs/dbraw/zinc/79/20/47/1038792047.db2.gz NAKLDWBCHKECIX-BPCQOVAHSA-N 0 0 334.382 3.713 10 30 EHEERN N#Cc1cccnc1-n1cc(NC(=O)CC/C=C\c2ccccc2)cn1 ZINC000588462770 1040622371 /nfs/dbraw/zinc/62/23/71/1040622371.db2.gz DJSIJMOFZFUSJK-WTKPLQERSA-N 0 0 343.390 3.571 10 30 EHEERN Cc1nc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)ccc1C#N ZINC000190274577 1042497604 /nfs/dbraw/zinc/49/76/04/1042497604.db2.gz JRPHTROOSIBNSR-CQSZACIVSA-N 0 0 341.361 3.560 10 30 EHEERN Cc1c(NC(=O)N2CC[C@H]3CCC[C@@H]32)cnn1-c1ccccc1F ZINC000330260639 1042659382 /nfs/dbraw/zinc/65/93/82/1042659382.db2.gz SURMIZNQUCGOCE-CJNGLKHVSA-N 0 0 328.391 3.740 10 30 EHEERN N#CCSc1cccc(C(=O)N2CCO[C@H](c3cccs3)C2)c1 ZINC000162245323 1042717628 /nfs/dbraw/zinc/71/76/28/1042717628.db2.gz CWRBMNBXRUZHNI-HNNXBMFYSA-N 0 0 344.461 3.577 10 30 EHEERN C#Cc1cccc(N(C(=O)C[C@@H](NC(C)=O)c2ccccc2)C(C)C)c1 ZINC000102909335 1135692021 /nfs/dbraw/zinc/69/20/21/1135692021.db2.gz CCOYGBJPSQQBCZ-OAQYLSRUSA-N 0 0 348.446 3.677 10 30 EHEERN OC/C=C/[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000097949866 219064142 /nfs/dbraw/zinc/06/41/42/219064142.db2.gz KDMGXDLVLHFXHD-ROFOPDMZSA-N 0 0 342.104 3.570 10 30 EHEERN Nc1c(/C=N/c2ccccc2)ccc2c1C(=O)c1ccccc1C2=O ZINC000003896801 210086616 /nfs/dbraw/zinc/08/66/16/210086616.db2.gz XKHYBYCPDSPUIG-FSJBWODESA-N 0 0 326.355 3.795 10 30 EHEERN CCCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@@H]1c1ccccc1OC ZINC000040357965 213293392 /nfs/dbraw/zinc/29/33/92/213293392.db2.gz KMLYFVNYSZNORZ-SFHVURJKSA-N 0 0 345.439 3.806 10 30 EHEERN COc1cc(Br)c([C@H](C#N)NC2CCCC2)cc1OC ZINC000037968346 213178059 /nfs/dbraw/zinc/17/80/59/213178059.db2.gz YGMMHKHZPNJBDD-ZDUSSCGKSA-N 0 0 339.233 3.563 10 30 EHEERN COc1ccc(C=NNc2nc3ccccc3[nH]2)cc1Br ZINC000033849993 212965184 /nfs/dbraw/zinc/96/51/84/212965184.db2.gz KLXOQFCTZZHLCS-MFOYZWKCSA-N 0 0 345.200 3.780 10 30 EHEERN CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C ZINC000118913165 221202047 /nfs/dbraw/zinc/20/20/47/221202047.db2.gz GZENKSODFLBBHQ-DOXQZRIRSA-N 0 0 344.495 3.940 10 30 EHEERN CC(CCc1ccc2c(c1)OCO2)N=Nc1ccccc1[N+](=O)[O-] ZINC000004863624 518473842 /nfs/dbraw/zinc/47/38/42/518473842.db2.gz RHVYFSMBJOYDKQ-LDADJPATSA-N 0 0 327.340 3.744 10 30 EHEERN C=CCc1cccc(CN=Nc2snc(SC)c2C#N)c1O ZINC000005527665 563537339 /nfs/dbraw/zinc/53/73/39/563537339.db2.gz IQVFSPQUQMXACO-RQZCQDPDSA-N 0 0 330.438 3.617 10 30 EHEERN N#Cc1cnc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c(Cl)c1 ZINC000275603309 564009680 /nfs/dbraw/zinc/00/96/80/564009680.db2.gz KZUCRVACIQEWKQ-OAHLLOKOSA-N 0 0 327.819 3.550 10 30 EHEERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)N[C@H](C)c1cccs1 ZINC000328610664 564136874 /nfs/dbraw/zinc/13/68/74/564136874.db2.gz ISISUKJVSLVASJ-HICWGWBUSA-N 0 0 333.457 3.894 10 30 EHEERN O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000328610773 1016244580 /nfs/dbraw/zinc/24/45/80/1016244580.db2.gz NYVUZZWEJHLNQF-ITQYTPKQSA-N 0 0 348.874 3.737 10 30 EHEERN Cc1cc(C#N)ccc1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189789568 1016719554 /nfs/dbraw/zinc/71/95/54/1016719554.db2.gz RZHXRHWEMOVQCM-UHFFFAOYSA-N 0 0 332.403 3.575 10 30 EHEERN COc1ccc(C(=O)/C=C\c2cc(F)ccc2C)cc1NC(C)=O ZINC000588394297 1020244028 /nfs/dbraw/zinc/24/40/28/1020244028.db2.gz BAKXSHKIVCDOSB-YVMONPNESA-N 0 0 327.355 3.997 10 30 EHEERN N#Cc1c(Cl)nsc1N1CCC(Nc2ccccc2F)CC1 ZINC000078370321 1021548193 /nfs/dbraw/zinc/54/81/93/1021548193.db2.gz BUGQFXFSMSDKIB-UHFFFAOYSA-N 0 0 336.823 3.888 10 30 EHEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(C)Cc1cccc(C#N)c1 ZINC000588436599 1022265899 /nfs/dbraw/zinc/26/58/99/1022265899.db2.gz MGVBNSIXTKSNFN-UVTDQMKNSA-N 0 0 335.363 3.528 10 30 EHEERN C[C@]1(NC(=O)N[C@H]2CCC(=O)NC23CCC3)CCCc2ccccc21 ZINC000328685436 1022466364 /nfs/dbraw/zinc/46/63/64/1022466364.db2.gz FPPROEHZEMEHSJ-LPHOPBHVSA-N 0 0 341.455 3.783 10 30 EHEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCO[C@H](C)C1 ZINC000328957930 1022554622 /nfs/dbraw/zinc/55/46/22/1022554622.db2.gz JPYNHLBZHDSSRC-KYHPRHEASA-N 0 0 349.475 3.703 10 30 EHEERN Cc1c(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2C)cnn1-c1ccccn1 ZINC000588450023 1022945856 /nfs/dbraw/zinc/94/58/56/1022945856.db2.gz CLZZPXJTAFCHCN-CLFYSBASSA-N 0 0 348.362 3.688 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCc2ccccc21 ZINC000330080219 1024312920 /nfs/dbraw/zinc/31/29/20/1024312920.db2.gz OVAFTSBNAUKYCU-SZVBFZGTSA-N 0 0 339.439 3.574 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000330115023 1024323677 /nfs/dbraw/zinc/32/36/77/1024323677.db2.gz FILSHXSSZTUMRS-JFIYKMOQSA-N 0 0 325.412 3.532 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H]2CCO[C@H]2C(C)C)cs1 ZINC000330199008 1024349765 /nfs/dbraw/zinc/34/97/65/1024349765.db2.gz UWRDRFGOSZAASY-BPUTZDHNSA-N 0 0 337.489 3.564 10 30 EHEERN Cc1c([C@H](C)Nc2cnn(-c3ncccc3C#N)c2)cccc1[N+](=O)[O-] ZINC000186001181 1024372220 /nfs/dbraw/zinc/37/22/20/1024372220.db2.gz DGRIFRRCOHOXSU-ZDUSSCGKSA-N 0 0 348.366 3.529 10 30 EHEERN Cc1c(C#N)cccc1NC(=O)N1Cc2ccccc2N(C)C[C@H]1C ZINC000178541889 1025336117 /nfs/dbraw/zinc/33/61/17/1025336117.db2.gz HUHNSPAISTXDJI-CQSZACIVSA-N 0 0 334.423 3.739 10 30 EHEERN COc1ccccc1[C@H]1C[C@@H](C)CCN1C(=O)N[C@@H]1CCO[C@H](C)C1 ZINC000329248819 1025694825 /nfs/dbraw/zinc/69/48/25/1025694825.db2.gz ALYZBDVBTURSGG-BVIKNXMNSA-N 0 0 346.471 3.950 10 30 EHEERN N#CCC[C@@H](C#N)CN1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000121760707 1025762115 /nfs/dbraw/zinc/76/21/15/1025762115.db2.gz BHDNWEGHSDJSRC-WMZOPIPTSA-N 0 0 333.439 3.700 10 30 EHEERN CCc1nc(C)c([C@@H](C)Nc2cnn(-c3ncccc3C#N)c2)s1 ZINC000186026518 1026127347 /nfs/dbraw/zinc/12/73/47/1026127347.db2.gz NPMWYNDFBYLWJW-LLVKDONJSA-N 0 0 338.440 3.639 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NCC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000333559365 1027304012 /nfs/dbraw/zinc/30/40/12/1027304012.db2.gz GUKPJCBRPNXIMO-IRFCIJBXSA-N 0 0 339.483 3.706 10 30 EHEERN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]12 ZINC000248408765 1028894812 /nfs/dbraw/zinc/89/48/12/1028894812.db2.gz FKIWQPDVBPTFHW-HCAQKZJRSA-N 0 0 347.418 3.827 10 30 EHEERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cccc(CC#N)c3)C2)cc1 ZINC000078188300 1029238854 /nfs/dbraw/zinc/23/88/54/1029238854.db2.gz ZYRUXONCKJJJTQ-DNVCBOLYSA-N 0 0 334.419 3.779 10 30 EHEERN Cc1ccc(C)c(NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 ZINC000114564273 1029453042 /nfs/dbraw/zinc/45/30/42/1029453042.db2.gz ZJOZYNKDBWMDRY-LJQANCHMSA-N 0 0 348.450 3.545 10 30 EHEERN O=C(Nc1cccc2c1OCO2)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000329325845 1030416192 /nfs/dbraw/zinc/41/61/92/1030416192.db2.gz JAQXPVKUBJEJMI-NXEZZACHSA-N 0 0 330.306 3.862 10 30 EHEERN C/C=C\c1ccc(OCC(=O)OCC(C)(C)CCC#N)c(OC)c1 ZINC000588616811 1033412643 /nfs/dbraw/zinc/41/26/43/1033412643.db2.gz JQVZPHXVNWQWLW-ALCCZGGFSA-N 0 0 331.412 3.980 10 30 EHEERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cccc(F)c3C#N)C2)cc1 ZINC000188155962 1033880153 /nfs/dbraw/zinc/88/01/53/1033880153.db2.gz ZGAZQMOKJDCAIG-ZFWWWQNUSA-N 0 0 338.382 3.724 10 30 EHEERN N#Cc1ccsc1C(=O)Nc1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC000101842848 1034278351 /nfs/dbraw/zinc/27/83/51/1034278351.db2.gz MQRLQPWKBFQADB-UHFFFAOYSA-N 0 0 335.392 3.535 10 30 EHEERN C=C(C)C[C@H](C)C(=O)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000185802091 1035514449 /nfs/dbraw/zinc/51/44/49/1035514449.db2.gz CPIGDSRISMDGCH-DLBZAZTESA-N 0 0 340.467 3.732 10 30 EHEERN Cc1cccc(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n1 ZINC000103072771 1036819154 /nfs/dbraw/zinc/81/91/54/1036819154.db2.gz PRHSJJHUDXGIHQ-UHFFFAOYSA-N 0 0 343.386 3.984 10 30 EHEERN C[C@H](NC(=O)N[C@@H]1CCCc2sc(Cl)cc21)[C@H]1CCCO1 ZINC000330193747 1038493778 /nfs/dbraw/zinc/49/37/78/1038493778.db2.gz YSVNKKVRGGANTL-MVWJERBFSA-N 0 0 328.865 3.850 10 30 EHEERN COc1cccc(/C=C/C(=O)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000102200865 1135488335 /nfs/dbraw/zinc/48/83/35/1135488335.db2.gz RNOQEVACGYWUFY-VQHVLOKHSA-N 0 0 325.364 3.558 10 30 EHEERN CCC(CC)CN(CCC#N)C(=O)c1coc(Br)c1 ZINC000104545357 1137878686 /nfs/dbraw/zinc/87/86/86/1137878686.db2.gz YVZCXAJQEHHJDT-UHFFFAOYSA-N 0 0 327.222 3.834 10 30 EHEERN Cc1cc(C)c(C#N)c(SCc2ccc(C(=O)N(C)C)cc2)n1 ZINC000098073233 219078495 /nfs/dbraw/zinc/07/84/95/219078495.db2.gz YPHMZJVXFYMEBG-UHFFFAOYSA-N 0 0 325.437 3.564 10 30 EHEERN C/N=c1\scc(-c2ccccc2F)n1/N=C(\C)c1cccnc1 ZINC000100483564 219100554 /nfs/dbraw/zinc/10/05/54/219100554.db2.gz VYEUJWGDBFWNAJ-YKKFEDRASA-N 0 0 326.400 3.554 10 30 EHEERN N=C(NOC(=O)c1cc(Cl)cnc1Cl)c1ccc(Cl)cc1 ZINC000004280820 210160583 /nfs/dbraw/zinc/16/05/83/210160583.db2.gz FUUAKVVJBFMRCW-UHFFFAOYSA-N 0 0 344.585 3.519 10 30 EHEERN C=C(C)CNC(=O)c1sc2cc(OC)c(OC)cc2c1Cl ZINC000022352848 212293751 /nfs/dbraw/zinc/29/37/51/212293751.db2.gz LXOXFIQXEGZGAD-UHFFFAOYSA-N 0 0 325.817 3.878 10 30 EHEERN C/C(=N\O)c1ccc(NC(=O)c2ccccc2Br)cc1 ZINC000019472568 212031322 /nfs/dbraw/zinc/03/13/22/212031322.db2.gz ZKLNSJOJKIUPDE-VCHYOVAHSA-N 0 0 333.185 3.900 10 30 EHEERN C/C(=N\O)c1cccc(NC(=O)c2ccc(Br)s2)c1 ZINC000019488635 212032067 /nfs/dbraw/zinc/03/20/67/212032067.db2.gz BMBLYQQGHMGPRO-LZYBPNLTSA-N 0 0 339.214 3.961 10 30 EHEERN C#C[C@@H](C)Oc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl ZINC000000900680 560179659 /nfs/dbraw/zinc/17/96/59/560179659.db2.gz ONNQFZOZHDEENE-SNVBAGLBSA-N 0 0 347.773 3.623 10 30 in-vitro EHEERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)N[C@H](C)c1ccccc1 ZINC000328612333 564002692 /nfs/dbraw/zinc/00/26/92/564002692.db2.gz OKMOTIPFDVMREW-PUECVXPYSA-N 0 0 327.428 3.832 10 30 EHEERN Cn1c2c(nc1[C@@H]1CCCN1Cc1cc(C#N)ccc1F)CCCC2 ZINC000275882253 564010212 /nfs/dbraw/zinc/01/02/12/564010212.db2.gz HBDHYKOFQIJUMP-IBGZPJMESA-N 0 0 338.430 3.647 10 30 EHEERN N#Cc1ccccc1Cn1cccc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000189742102 1016707652 /nfs/dbraw/zinc/70/76/52/1016707652.db2.gz PNGXDUPFCFJTHG-LEWJYISDSA-N 0 0 335.451 3.551 10 30 EHEERN COc1ccc(O)cc1C(=O)/C=C\c1cccc(OCCCC#N)c1 ZINC000588409664 1020834099 /nfs/dbraw/zinc/83/40/99/1020834099.db2.gz IVZOLPAAZRFYII-CLFYSBASSA-N 0 0 337.375 3.979 10 30 EHEERN COc1ccc(O)cc1C(=O)/C=C\c1cn2cc(Cl)ccc2n1 ZINC000588409703 1020836598 /nfs/dbraw/zinc/83/65/98/1020836598.db2.gz QGSUWEZSUVGMBP-HYXAFXHYSA-N 0 0 328.755 3.598 10 30 EHEERN CCCCCCCCC(=O)N1CC[C@@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000164681917 1021834231 /nfs/dbraw/zinc/83/42/31/1021834231.db2.gz SFLGPFWYIHMLCS-SJLPKXTDSA-N 0 0 334.504 3.739 10 30 EHEERN Cc1nc([C@H](C)NC(=O)N2CCO[C@H](c3ccsc3)C2)cs1 ZINC000329830950 1033049578 /nfs/dbraw/zinc/04/95/78/1033049578.db2.gz FJJKRDNDPVDQPQ-HZMBPMFUSA-N 0 0 337.470 3.562 10 30 EHEERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000328855123 1022516369 /nfs/dbraw/zinc/51/63/69/1022516369.db2.gz WVLPPRYMMWICFD-INWMFGNUSA-N 0 0 332.425 3.663 10 30 EHEERN C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1)c1cc2ccccc2o1 ZINC000328890166 1022529871 /nfs/dbraw/zinc/52/98/71/1022529871.db2.gz RKIURGQCYDSKIG-UCMVZMLTSA-N 0 0 341.411 3.895 10 30 EHEERN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000328989307 1022560427 /nfs/dbraw/zinc/56/04/27/1022560427.db2.gz CQAMAJHXSDNHKO-YFHUEUNASA-N 0 0 331.460 3.813 10 30 EHEERN Cn1cc([C@@H]2CCCN2CC(=O)NC2(c3ccccc3)CCC2)cn1 ZINC000328932862 1022664108 /nfs/dbraw/zinc/66/41/08/1022664108.db2.gz DRKZRKNWOBPXRS-SFHVURJKSA-N 0 0 338.455 3.593 10 30 EHEERN C#CC[C@@H](OC(=O)/C(C)=C/c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000588447537 1022809866 /nfs/dbraw/zinc/80/98/66/1022809866.db2.gz YMQFYZHATSRKCB-KAUXGEHWSA-N 0 0 336.347 3.701 10 30 EHEERN O=C(CNC1(c2noc(C3CC3)n2)CCCC1)NC1CCCCCC1 ZINC000329680980 1024063418 /nfs/dbraw/zinc/06/34/18/1024063418.db2.gz WQPCICXBTJJQGB-UHFFFAOYSA-N 0 0 346.475 3.985 10 30 EHEERN C[C@@]1(NC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CCO[C@@H]1C1CC1 ZINC000329761997 1024183721 /nfs/dbraw/zinc/18/37/21/1024183721.db2.gz SDRACCJAKOGRSW-XAUMDUMWSA-N 0 0 344.455 3.750 10 30 EHEERN Cn1nccc1C1CCN(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)CC1 ZINC000329831168 1024216461 /nfs/dbraw/zinc/21/64/61/1024216461.db2.gz KACOTRQKSXEXBH-RYQLBKOJSA-N 0 0 344.503 3.872 10 30 EHEERN CC[C@H](CC1CCCC1)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000329966540 1024269968 /nfs/dbraw/zinc/26/99/68/1024269968.db2.gz VACWOMJADUAGPH-IAGOWNOFSA-N 0 0 332.492 3.952 10 30 EHEERN CC[C@H]1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)CC1 ZINC000329984356 1024275322 /nfs/dbraw/zinc/27/53/22/1024275322.db2.gz QGGPJCVETSXLPB-VGWMRTNUSA-N 0 0 334.439 3.566 10 30 EHEERN O=C(NCc1ccn(C2CCCC2)n1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330094365 1024317478 /nfs/dbraw/zinc/31/74/78/1024317478.db2.gz SSRXEFNCULNLKU-ZWKOTPCHSA-N 0 0 340.427 3.628 10 30 EHEERN Cc1ccc2cccc(NC(=O)[C@@H]3CCO[C@H]3c3ccnn3C)c2n1 ZINC000330138675 1024331647 /nfs/dbraw/zinc/33/16/47/1024331647.db2.gz OMKUZEWFTWYPQS-RDTXWAMCSA-N 0 0 336.395 3.643 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC1(c2ccccc2)CCC1 ZINC000330146989 1024334758 /nfs/dbraw/zinc/33/47/58/1024334758.db2.gz IHPUMPNKVBGASJ-SJLPKXTDSA-N 0 0 339.439 3.576 10 30 EHEERN CCOc1ccc([C@H](C)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000185999598 1024361525 /nfs/dbraw/zinc/36/15/25/1024361525.db2.gz JDXCAFRWOLGZSY-AWEZNQCLSA-N 0 0 333.395 3.711 10 30 EHEERN O=C(NC[C@H]1CCCCC(F)(F)C1)N[C@@H]1CCC(=O)NC12CCC2 ZINC000330235159 1024365118 /nfs/dbraw/zinc/36/51/18/1024365118.db2.gz YRNQEFFEDOVXLA-QWHCGFSZSA-N 0 0 343.418 3.747 10 30 EHEERN C[C@H](NC(=O)[C@@]1(C)CCCNC1=O)c1nc(C2CCCCC2)no1 ZINC000330312724 1024679801 /nfs/dbraw/zinc/67/98/01/1024679801.db2.gz OLMJDUWZMXCULL-GTNSWQLSSA-N 0 0 334.420 3.891 10 30 EHEERN C[C@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccc2ccccc2c1 ZINC000329233939 1025684196 /nfs/dbraw/zinc/68/41/96/1025684196.db2.gz MILMUILUTGUBOY-MORSLUCNSA-N 0 0 337.423 3.866 10 30 EHEERN O=C(NC[C@@H]1C[C@H]1C1CCCCC1)c1cnc2c(c1)NC(=O)CO2 ZINC000329509794 1025937301 /nfs/dbraw/zinc/93/73/01/1025937301.db2.gz MKDWVSBVCAADQS-JSGCOSHPSA-N 0 0 329.400 3.583 10 30 EHEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1cccc(F)c1F ZINC000186020697 1026121305 /nfs/dbraw/zinc/12/13/05/1026121305.db2.gz DUXZFHGPWMBLBB-NSHDSACASA-N 0 0 325.322 3.590 10 30 EHEERN N#C[C@H]1CCC[C@@H]1NCC(=O)N1c2ccccc2CCc2ccccc21 ZINC000333569816 1027701310 /nfs/dbraw/zinc/70/13/10/1027701310.db2.gz IIOBZLCQOXKJBV-MOPGFXCFSA-N 0 0 345.446 3.732 10 30 EHEERN C=C[C@@](C)(CCOC)COC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588552087 1027877191 /nfs/dbraw/zinc/87/71/91/1027877191.db2.gz LBKIFKDFVTWWKS-FFWXCITRSA-N 0 0 333.384 3.770 10 30 EHEERN CC1(C)CC[C@@H]2C[C@H](NC(=O)N[C@@H]3CCCNC3=O)c3cccc1c32 ZINC000329188958 1029981984 /nfs/dbraw/zinc/98/19/84/1029981984.db2.gz BVAZCVTYAZSDFD-WQVCFCJDSA-N 0 0 341.455 3.909 10 30 EHEERN C=CCOc1ccccc1C(=O)N1CCC(Cc2ccccn2)CC1 ZINC000171615147 1030766794 /nfs/dbraw/zinc/76/67/94/1030766794.db2.gz RWKXYIOXTLGEHY-UHFFFAOYSA-N 0 0 336.435 3.741 10 30 EHEERN Cc1nc([C@@H]2CCCN(C(=O)N[C@@H]3CCC[C@@H]3C#N)C2)sc1C ZINC000329553300 1031101624 /nfs/dbraw/zinc/10/16/24/1031101624.db2.gz AYNCYTJQIBGLJK-RBSFLKMASA-N 0 0 332.473 3.546 10 30 EHEERN N#CC1(c2ccc(C(=O)N3CCC[C@H](c4nccs4)C3)cc2)CC1 ZINC000180250556 1031871147 /nfs/dbraw/zinc/87/11/47/1031871147.db2.gz USHCFHMDJWZLFE-HNNXBMFYSA-N 0 0 337.448 3.718 10 30 EHEERN COc1ccc(C(=O)/C=C\c2ccc3c(c2)sc(=O)n3C)cc1F ZINC000588590182 1031993713 /nfs/dbraw/zinc/99/37/13/1031993713.db2.gz FLZKUGFFDWWIEV-DAXSKMNVSA-N 0 0 343.379 3.644 10 30 EHEERN Cc1ccccc1[C@H]1CN(C(=O)c2cccc(F)c2C#N)[C@H](C)CO1 ZINC000188274146 1034245914 /nfs/dbraw/zinc/24/59/14/1034245914.db2.gz CTGFMXBVVOJRQJ-AUUYWEPGSA-N 0 0 338.382 3.608 10 30 EHEERN CN(Cc1cccc(C#N)c1)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179497550 1034332393 /nfs/dbraw/zinc/33/23/93/1034332393.db2.gz RYHKJNISLMHOLZ-UHFFFAOYSA-N 0 0 331.379 3.612 10 30 EHEERN C=CCCCCCN(C)C(=O)Nc1ccc2c(c1)CN(C)C(=O)N2 ZINC000186672687 1035681678 /nfs/dbraw/zinc/68/16/78/1035681678.db2.gz LMAALKVZJPYENQ-UHFFFAOYSA-N 0 0 330.432 3.874 10 30 EHEERN Cc1c([C@H]2OCC[C@@H]2C(=O)NCc2ccc(C3CC3)cc2)cnn1C ZINC000329975332 1036109819 /nfs/dbraw/zinc/10/98/19/1036109819.db2.gz ZPHYGLBJHFQQEL-HKUYNNGSSA-N 0 0 339.439 3.840 10 30 EHEERN N#Cc1cccc(NC(=O)N2CC3(CCOCC3)c3ccccc32)c1 ZINC000191142139 1036649457 /nfs/dbraw/zinc/64/94/57/1036649457.db2.gz MIEMCSUAILJYGK-UHFFFAOYSA-N 0 0 333.391 3.659 10 30 EHEERN COC(=O)c1cnc(/C=C/c2cccc(OCCCC#N)c2)s1 ZINC000102598868 1036744907 /nfs/dbraw/zinc/74/49/07/1036744907.db2.gz ZBFXLOBYSUMGAB-BQYQJAHWSA-N 0 0 328.393 3.783 10 30 EHEERN Cc1cccc2[nH]cc(CCNC(=O)N(C)Cc3cccc(C#N)c3)c21 ZINC000103317370 1036959169 /nfs/dbraw/zinc/95/91/69/1036959169.db2.gz LYPSKIXOLGXRII-UHFFFAOYSA-N 0 0 346.434 3.732 10 30 EHEERN N#CC1(C(=O)N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)CCCC1 ZINC000113219754 1037780315 /nfs/dbraw/zinc/78/03/15/1037780315.db2.gz RIEKONJZKJMWOH-KRWDZBQOSA-N 0 0 348.450 3.867 10 30 EHEERN Cc1c([C@H]2OCC[C@@H]2C(=O)NC2C3CC4CC(C3)CC2C4)cnn1C ZINC000330240861 1040469753 /nfs/dbraw/zinc/46/97/53/1040469753.db2.gz BPDUACNXORSTOE-WYEICNMTSA-N 0 0 343.471 3.587 10 30 EHEERN CC(C)n1cnnc1-c1ccccc1NC(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000330250696 1042550601 /nfs/dbraw/zinc/55/06/01/1042550601.db2.gz NCEMWQUTCBXSRW-PBHICJAKSA-N 0 0 339.443 3.946 10 30 EHEERN C#CCOc1ccc([C@H](C)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000162522633 1042732874 /nfs/dbraw/zinc/73/28/74/1042732874.db2.gz WUSXQTICIMOACF-MGPUTAFESA-N 0 0 346.434 3.565 10 30 EHEERN O=C(Nc1cc(N2CCCC2=O)ccc1Cl)N1CC[C@H]2CCC[C@@H]21 ZINC000330284715 1042814494 /nfs/dbraw/zinc/81/44/94/1042814494.db2.gz XWZIRTRMONKNNG-WBMJQRKESA-N 0 0 347.846 3.887 10 30 EHEERN C#Cc1cccc(N(C)C(=O)c2cccc(NC(=O)[C@@H]3C[C@H]3C)c2)c1 ZINC000103031218 1132610691 /nfs/dbraw/zinc/61/06/91/1132610691.db2.gz WBKFTDNDRAVGOU-AUUYWEPGSA-N 0 0 332.403 3.539 10 30 EHEERN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1 ZINC000104627311 1137878955 /nfs/dbraw/zinc/87/89/55/1137878955.db2.gz UDGSEFVDMDAIHB-RHSMWYFYSA-N 0 0 341.455 3.683 10 30 EHEERN Cc1ccc(S(=O)(=O)OCCCC(F)(F)C(F)(F)F)cc1 ZINC000098210515 219087598 /nfs/dbraw/zinc/08/75/98/219087598.db2.gz BDLIHQYAFPYPHL-UHFFFAOYSA-N 0 0 332.290 3.678 10 30 EHEERN CNC(SCc1ccc(Cl)cc1Cl)=C1C(=O)CCCC1=O ZINC000040570317 213352339 /nfs/dbraw/zinc/35/23/39/213352339.db2.gz KQOPIWZGTTWALZ-UHFFFAOYSA-N 0 0 344.263 3.980 10 30 EHEERN C=CCn1c(CNC(=O)c2cccc(Cl)c2)nc2ccccc21 ZINC000040278815 213286547 /nfs/dbraw/zinc/28/65/47/213286547.db2.gz HXJNBYONDTUOHI-UHFFFAOYSA-N 0 0 325.799 3.806 10 30 EHEERN N#Cc1ccc(-n2cnc3c2nc(-c2ccccc2)c(C#N)c3C#N)cc1 ZINC000039140267 213231282 /nfs/dbraw/zinc/23/12/82/213231282.db2.gz IEGDMELLZCFDQD-UHFFFAOYSA-N 0 0 346.353 3.703 10 30 EHEERN CCN1C(=O)/C(=C/c2ccccc2O)S/C1=N\c1ccc(O)cc1 ZINC000016904353 211940014 /nfs/dbraw/zinc/94/00/14/211940014.db2.gz QHOZEBIZGZYDQS-UGZHYMOWSA-N 0 0 340.404 3.722 10 30 EHEERN C=CCN1CCN(c2nc3ccccc3c(OCCCCC)n2)CC1 ZINC000001889512 518868332 /nfs/dbraw/zinc/86/83/32/518868332.db2.gz SILQTPIQCRBVFV-UHFFFAOYSA-N 0 0 340.471 3.507 10 30 EHEERN S=C(N/N=C/C=C/c1ccccc1)N[C@H]1C[C@H]2C[C@@H]1[C@@H]1C=CC[C@@H]21 ZINC000013465110 563698461 /nfs/dbraw/zinc/69/84/61/563698461.db2.gz DFVAJBDCDZHHJV-XBJWWOADSA-N 0 0 337.492 3.750 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@H](C)Cc1ccc(C)s1)CCC2 ZINC000328649481 1022453140 /nfs/dbraw/zinc/45/31/40/1022453140.db2.gz IQZVZMARWBJNGX-DOMZBBRYSA-N 0 0 346.500 3.574 10 30 EHEERN O=C(N[C@@H]1CC=CCC1)N1CCOC[C@@H]1c1nc2ccccc2s1 ZINC000328651702 1022453830 /nfs/dbraw/zinc/45/38/30/1022453830.db2.gz BQMHGMAVTSGWQU-UKRRQHHQSA-N 0 0 343.452 3.692 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H]1C[C@H]1C1CCCCC1)CCC2 ZINC000328660008 1022455767 /nfs/dbraw/zinc/45/57/67/1022455767.db2.gz UOSGWECFGGCPKM-YESZJQIVSA-N 0 0 330.476 3.541 10 30 EHEERN Cc1csc([C@@H](C)NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)n1 ZINC000328894131 1022529256 /nfs/dbraw/zinc/52/92/56/1022529256.db2.gz AQBLYKRMYCPRRH-MRVWCRGKSA-N 0 0 330.457 3.637 10 30 EHEERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCCc3ccccc31)CC2 ZINC000329843989 1024220244 /nfs/dbraw/zinc/22/02/44/1024220244.db2.gz OHHLJBRUFAILST-NVXWUHKLSA-N 0 0 338.455 3.793 10 30 EHEERN N#C[C@@H]1CN(C(=O)N[C@@H]2CCc3ccccc3C2)C[C@H]1c1ccccc1 ZINC000330201727 1024353996 /nfs/dbraw/zinc/35/39/96/1024353996.db2.gz YGGAZJFAPVGQEZ-NJYVYQBISA-N 0 0 345.446 3.697 10 30 EHEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCCSC1 ZINC000329050953 1025582370 /nfs/dbraw/zinc/58/23/70/1025582370.db2.gz WJJYBWMHVVGUGI-SQWLQELKSA-N 0 0 337.489 3.784 10 30 EHEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCCC(F)(F)C1 ZINC000329193918 1025656851 /nfs/dbraw/zinc/65/68/51/1025656851.db2.gz UJKBYQOQDLDKHO-MGPQQGTHSA-N 0 0 341.402 3.670 10 30 EHEERN CC(C)c1ccc([C@@H](C)NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc1 ZINC000329228792 1025678269 /nfs/dbraw/zinc/67/82/69/1025678269.db2.gz IXSHIZRPQCBGBK-KBRIMQKVSA-N 0 0 329.444 3.836 10 30 EHEERN CC(C)[C@@H]1CCCN1C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329294433 1025728635 /nfs/dbraw/zinc/72/86/35/1025728635.db2.gz RZEQGTJROMSRCP-GJZGRUSLSA-N 0 0 332.492 3.530 10 30 EHEERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)[C@H]1CCn2cncc2C1 ZINC000329380285 1025793652 /nfs/dbraw/zinc/79/36/52/1025793652.db2.gz NHHKBAZZTJVITK-IAOVAPTHSA-N 0 0 345.830 3.586 10 30 EHEERN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCO[C@H](c2nccs2)C1 ZINC000329473461 1025899045 /nfs/dbraw/zinc/89/90/45/1025899045.db2.gz ONUSHBUIMRHLLP-JJXSEGSLSA-N 0 0 349.500 3.789 10 30 EHEERN C[C@H](Oc1ccccc1C#N)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190376319 1027505307 /nfs/dbraw/zinc/50/53/07/1027505307.db2.gz PWCRPUAJSHUMBI-NOLJZWGESA-N 0 0 341.411 4.000 10 30 EHEERN CCCCCCCC(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000253477022 1029332941 /nfs/dbraw/zinc/33/29/41/1029332941.db2.gz CMAZSZKTFWSXPF-UHFFFAOYSA-N 0 0 335.448 3.521 10 30 EHEERN Cc1cnc([C@H](C)NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)o1 ZINC000329232566 1030054032 /nfs/dbraw/zinc/05/40/32/1030054032.db2.gz GCGXTNGUTCBPOF-IACUBPJLSA-N 0 0 328.368 3.575 10 30 EHEERN CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)NC[C@@H]2CCCSC2)C1 ZINC000329317307 1030407402 /nfs/dbraw/zinc/40/74/02/1030407402.db2.gz SLAQWTUTRGVMPU-UONOGXRCSA-N 0 0 341.521 3.511 10 30 EHEERN N#CC1(c2ccc(C(=O)Nc3cccc(-c4ncon4)c3)cc2)CC1 ZINC000181500219 1031996436 /nfs/dbraw/zinc/99/64/36/1031996436.db2.gz VGTZFIAPDWQJQZ-UHFFFAOYSA-N 0 0 330.347 3.544 10 30 EHEERN Cc1ccccc1[C@H]1CN(C(=O)c2cccc(F)c2C#N)[C@@H](C)CO1 ZINC000188274192 1034246465 /nfs/dbraw/zinc/24/64/65/1034246465.db2.gz CTGFMXBVVOJRQJ-IFXJQAMLSA-N 0 0 338.382 3.608 10 30 EHEERN C[C@@H]1CC=CC[C@H]1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 ZINC000375820549 1034630339 /nfs/dbraw/zinc/63/03/39/1034630339.db2.gz UEABSKVWSNWECE-RHSMWYFYSA-N 0 0 342.414 3.669 10 30 EHEERN O=C(NC1CCC(C(F)(F)F)CC1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000329951766 1034976808 /nfs/dbraw/zinc/97/68/08/1034976808.db2.gz CRMUWMHKCJDLGP-YAWVXEGQSA-N 0 0 334.382 3.569 10 30 EHEERN C=C(C)C[C@@H](C)C(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000185802072 1035513339 /nfs/dbraw/zinc/51/33/39/1035513339.db2.gz CPIGDSRISMDGCH-SJORKVTESA-N 0 0 340.467 3.732 10 30 EHEERN CCc1cc(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n[nH]1 ZINC000103192051 1036890928 /nfs/dbraw/zinc/89/09/28/1036890928.db2.gz FWJICURKZBLPRO-UHFFFAOYSA-N 0 0 332.363 3.888 10 30 EHEERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@@H]1CCOC2(CCC2)C1 ZINC000330233034 1039685532 /nfs/dbraw/zinc/68/55/32/1039685532.db2.gz XRGMBXPHTASQOX-YNEHKIRRSA-N 0 0 334.382 3.713 10 30 EHEERN O=C(NCc1ccc(C2CCC2)cc1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330251859 1042563114 /nfs/dbraw/zinc/56/31/14/1042563114.db2.gz HZTCLFSDYHNCQT-PZJWPPBQSA-N 0 0 342.483 3.995 10 30 EHEERN COCc1ccc(C(=O)[C@@H](C#N)C(=O)Nc2cccc3ccccc32)o1 ZINC000105263264 1042816084 /nfs/dbraw/zinc/81/60/84/1042816084.db2.gz OLFMJOYDDRQZMZ-MRXNPFEDSA-N 0 0 348.358 3.540 10 30 EHEERN C[C@H](NC(=O)N1CC[C@@H](O)C12CCCC2)c1ccc(F)c(Cl)c1 ZINC000330352972 1042983658 /nfs/dbraw/zinc/98/36/58/1042983658.db2.gz NXHQUHWKDIVVBT-XHDPSFHLSA-N 0 0 340.826 3.834 10 30 EHEERN C[C@@H]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@H]1C ZINC000408339813 1043338557 /nfs/dbraw/zinc/33/85/57/1043338557.db2.gz MFFVUNXWZOROHZ-WWXIPJKBSA-N 0 0 341.455 3.688 10 30 EHEERN Cn1cc(-c2cccc(CNc3snc(Cl)c3C#N)c2)cn1 ZINC000301857944 1128608727 /nfs/dbraw/zinc/60/87/27/1128608727.db2.gz DNNLYQLCMMVOCC-UHFFFAOYSA-N 0 0 329.816 3.681 10 30 EHEERN Cc1cc(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)ncc1C#N ZINC000333964321 1138354708 /nfs/dbraw/zinc/35/47/08/1138354708.db2.gz OWYRKAMOAGZJSI-SFHVURJKSA-N 0 0 347.418 3.828 10 30 EHEERN N#C[C@@H](NC1CCCCC1)c1cc2c(c(Br)c1)OCO2 ZINC000037969531 213177525 /nfs/dbraw/zinc/17/75/25/213177525.db2.gz NCFHOWCHCWEWHW-CYBMUJFWSA-N 0 0 337.217 3.665 10 30 EHEERN Cc1ccc(C(=O)/C=C2/C(=O)Nc3ccc(Br)cc32)cc1 ZINC000036124477 213071603 /nfs/dbraw/zinc/07/16/03/213071603.db2.gz ZMCSHOACCJRLSY-NTEUORMPSA-N 0 0 342.192 3.976 10 30 EHEERN CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@]1(COC(=O)C1)O2 ZINC000072320529 216148342 /nfs/dbraw/zinc/14/83/42/216148342.db2.gz SXOVHHHRXOYVGV-GSEOLPGOSA-N 0 0 332.440 3.583 10 30 biogenic EHEERN O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc(Br)cc1)OCO2 ZINC000000050776 209390432 /nfs/dbraw/zinc/39/04/32/209390432.db2.gz LXQZMVCAHMKVPG-FRKPEAEDSA-N 0 0 349.140 3.837 10 30 EHEERN N#Cc1ccccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)[nH]c1=O ZINC000072450790 216238805 /nfs/dbraw/zinc/23/88/05/216238805.db2.gz NEBOQGKAVBTYNA-UHFFFAOYSA-N 0 0 349.777 3.819 10 30 EHEERN C#C[C@]1(O)CC[C@H]2[C@@H]3CCc4c(O)c(OC)ccc4[C@H]3CC[C@@]21C ZINC000022060771 212273936 /nfs/dbraw/zinc/27/39/36/212273936.db2.gz SRAITNKTWXKYDH-QOGIMEQTSA-N 0 0 326.436 3.621 10 30 in-vitro EHEERN CCC(=O)Nc1c(C#N)cnn1-c1cc(C)c2cc(C)cc(C)c2n1 ZINC000012241278 211327595 /nfs/dbraw/zinc/32/75/95/211327595.db2.gz JGVMTLQSOQDCBO-UHFFFAOYSA-N 0 0 333.395 3.566 10 30 EHEERN CC(C)(C)OC(=O)N1CCC[C@H](CCCOc2ncccc2C#N)C1 ZINC000095085034 218276400 /nfs/dbraw/zinc/27/64/00/218276400.db2.gz ZXOTXAZONYQPAA-OAHLLOKOSA-N 0 0 345.443 3.759 10 30 EHEERN CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@]12C ZINC000004743886 560199975 /nfs/dbraw/zinc/19/99/75/560199975.db2.gz ZUTUSHGUIOPVJS-UICWUCEBSA-N 0 0 330.468 3.791 10 30 in-vitro EHEERN COc1cccc(/C=N/C2=NNC(c3ccc(F)cc3)=CS2)c1 ZINC000006174671 563560334 /nfs/dbraw/zinc/56/03/34/563560334.db2.gz XZGHWIQPPHETGZ-VXLYETTFSA-N 0 0 327.384 3.859 10 30 EHEERN Cn1c2c(nc1[C@H]1CCCN1Cc1cc(C#N)ccc1F)CCCC2 ZINC000275882256 564010195 /nfs/dbraw/zinc/01/01/95/564010195.db2.gz HBDHYKOFQIJUMP-LJQANCHMSA-N 0 0 338.430 3.647 10 30 EHEERN Cc1nn(C)c(C)c1[C@@H]1CCCN1c1cc(C#N)c2ccccc2n1 ZINC000122906145 1017299011 /nfs/dbraw/zinc/29/90/11/1017299011.db2.gz USXDYXROQNMWJK-SFHVURJKSA-N 0 0 331.423 3.798 10 30 EHEERN O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)NC1CCC(C(F)(F)F)CC1 ZINC000328707868 1018806341 /nfs/dbraw/zinc/80/63/41/1018806341.db2.gz ZQIGEGGYTIJERT-PNKMZZHYSA-N 0 0 346.393 3.569 10 30 EHEERN Cc1ccc(-c2ncccc2NC(=O)N[C@@H]2CCC[C@H]2C#N)s1 ZINC000333299283 1019053225 /nfs/dbraw/zinc/05/32/25/1019053225.db2.gz BRDXFGODISZGFD-QWHCGFSZSA-N 0 0 326.425 3.932 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@H](c1ccccc1)C1CC1)CCC2 ZINC000328650342 1022453905 /nfs/dbraw/zinc/45/39/05/1022453905.db2.gz JDCUDOFOUBYGSV-ZWKOTPCHSA-N 0 0 338.455 3.724 10 30 EHEERN Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCC[C@H](n3cccn3)C2)c1 ZINC000328696090 1022470222 /nfs/dbraw/zinc/47/02/22/1022470222.db2.gz KSLHFHXLPYSUNN-SJORKVTESA-N 0 0 326.444 3.814 10 30 EHEERN O=C(N[C@H]1CCC(=O)NC12CCC2)NC1(c2ccc(Cl)cc2)CC1 ZINC000328701234 1022470257 /nfs/dbraw/zinc/47/02/57/1022470257.db2.gz NGKOFTVHBNCQCA-AWEZNQCLSA-N 0 0 347.846 3.874 10 30 EHEERN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328729422 1022487620 /nfs/dbraw/zinc/48/76/20/1022487620.db2.gz FMVIWPZDNCQRTD-HYVNUMGLSA-N 0 0 341.455 3.820 10 30 EHEERN C[C@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@H](n2cccn2)C1 ZINC000328726476 1022488526 /nfs/dbraw/zinc/48/85/26/1022488526.db2.gz ZQOLYIAFTLNYSN-CJNGLKHVSA-N 0 0 332.835 3.850 10 30 EHEERN Cc1nc(-c2cccc(C)c2)[nH]c1C(=O)N[C@@H]1CCCC[C@@H]1CO ZINC000328878372 1022494029 /nfs/dbraw/zinc/49/40/29/1022494029.db2.gz JDKORVYJYKMCOS-HZPDHXFCSA-N 0 0 327.428 3.549 10 30 EHEERN Cc1cc([C@H]2CCCN2C(=O)NC2C3CC4CC(C3)CC2C4)on1 ZINC000328783076 1022500531 /nfs/dbraw/zinc/50/05/31/1022500531.db2.gz GIPVJZJSDWMRJZ-PKSOCPPESA-N 0 0 329.444 3.859 10 30 EHEERN C[C@@H]1CC(CNC(=O)c2cn(C)nc2C2CCCCC2)C[C@@H](C)O1 ZINC000328904900 1022541978 /nfs/dbraw/zinc/54/19/78/1022541978.db2.gz AKQADUWGBXOVBT-ZIAGYGMSSA-N 0 0 333.476 3.976 10 30 EHEERN CCc1nc(CNC(=O)[C@@H]2C[C@]23CCOc2ccccc23)cs1 ZINC000329736347 1024166396 /nfs/dbraw/zinc/16/63/96/1024166396.db2.gz SNEPAILAHBAVRB-KSSFIOAISA-N 0 0 328.437 3.902 10 30 EHEERN Cc1nc([C@@H]2CCCN(C([O-])=[NH+]c3c(C)noc3C)C2)sc1C ZINC000329743976 1024173119 /nfs/dbraw/zinc/17/31/19/1024173119.db2.gz QJFUVHZQWHFGSA-CYBMUJFWSA-N 0 0 334.445 3.790 10 30 EHEERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000329869553 1024230731 /nfs/dbraw/zinc/23/07/31/1024230731.db2.gz YZIYTQPARAKFSI-CTAFRAEOSA-N 0 0 338.451 3.552 10 30 EHEERN O=C(Nc1cccc(OCc2cscn2)c1)N1C[C@@H]2CCC[C@H]21 ZINC000329936722 1024256977 /nfs/dbraw/zinc/25/69/77/1024256977.db2.gz RRPLPBAWFWPPFZ-BLLLJJGKSA-N 0 0 329.425 3.752 10 30 EHEERN CC1(C)CCCC[C@H]1CC(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000329994615 1024278028 /nfs/dbraw/zinc/27/80/28/1024278028.db2.gz ZMTMXPMJKUSRQD-JYJNAYRXSA-N 0 0 348.466 3.956 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCCc2ccccc21 ZINC000330080218 1024312968 /nfs/dbraw/zinc/31/29/68/1024312968.db2.gz OVAFTSBNAUKYCU-KVSKMBFKSA-N 0 0 339.439 3.574 10 30 EHEERN C[C@H](NC(=O)[C@H]1CCO[C@@H]1c1cccnc1)[C@H]1COc2ccccc21 ZINC000330106307 1024321846 /nfs/dbraw/zinc/32/18/46/1024321846.db2.gz KRPTWIDEOIKHAR-CKNFYHOISA-N 0 0 338.407 3.680 10 30 EHEERN N#Cc1cc2c(nc1NCc1ncc(-c3ccccc3)cn1)CCCC2 ZINC000185995498 1024340358 /nfs/dbraw/zinc/34/03/58/1024340358.db2.gz WNPSOPVJTTXGBF-UHFFFAOYSA-N 0 0 341.418 3.901 10 30 EHEERN C[C@]1(C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CCCNC1=O ZINC000330327920 1024786538 /nfs/dbraw/zinc/78/65/38/1024786538.db2.gz VTBYYMUTKFCUBF-VKJFTORMSA-N 0 0 334.391 3.759 10 30 EHEERN O=C(N[C@@H]1CCCNC1=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000329434525 1025845990 /nfs/dbraw/zinc/84/59/90/1025845990.db2.gz JFVAQUDFQFPJRQ-GDBMZVCRSA-N 0 0 344.459 3.569 10 30 EHEERN CC1(C)CCC[C@@H](NC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)C1 ZINC000329571215 1026021646 /nfs/dbraw/zinc/02/16/46/1026021646.db2.gz URKMCBQHKZHIOV-XHSDSOJGSA-N 0 0 336.501 3.639 10 30 EHEERN N#C[C@@H]1CN([C@@H]2C[C@@H]2c2ccccc2)C[C@@]12c1ccccc1NC2=O ZINC000329606805 1026065409 /nfs/dbraw/zinc/06/54/09/1026065409.db2.gz IDFAUDDHNBYAAN-HQEOYTPBSA-N 0 0 329.403 3.537 10 30 EHEERN CCCCCCCCC(=O)N1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000253477556 1029331658 /nfs/dbraw/zinc/33/16/58/1029331658.db2.gz GKLDCDWXWZQONS-UHFFFAOYSA-N 0 0 349.475 3.911 10 30 EHEERN Cn1cc([C@@H]2CCCN2C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cn1 ZINC000329171587 1029945344 /nfs/dbraw/zinc/94/53/44/1029945344.db2.gz KFBBJGVBWPIZAV-ONIAQPFYSA-N 0 0 330.476 3.830 10 30 EHEERN C[C@@H]1CCCN(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329298325 1030319085 /nfs/dbraw/zinc/31/90/85/1030319085.db2.gz UGNAZWSXAHFJHG-CABCVRRESA-N 0 0 332.492 3.531 10 30 EHEERN C[S@](=O)c1cccc(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)c1 ZINC000329646642 1031585185 /nfs/dbraw/zinc/58/51/85/1031585185.db2.gz DPZFORJCGGBBOL-WVCKHHOPSA-N 0 0 341.432 3.752 10 30 EHEERN C=CCCC[C@@H](C)NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1 ZINC000179796552 1031809303 /nfs/dbraw/zinc/80/93/03/1031809303.db2.gz LEKUYGIXKQMUNZ-NVXWUHKLSA-N 0 0 329.444 3.544 10 30 EHEERN C#CCCCCC(=O)N1CCC[C@@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000180164866 1031864070 /nfs/dbraw/zinc/86/40/70/1031864070.db2.gz PGTRYIHHHYIETR-GOSISDBHSA-N 0 0 335.451 3.976 10 30 EHEERN C#Cc1cccc(N(C(=O)[C@@H]2CC(=O)Nc3ccccc32)C(C)C)c1 ZINC000102909067 1037585848 /nfs/dbraw/zinc/58/58/48/1037585848.db2.gz RIXAVCRJVIFAOT-GOSISDBHSA-N 0 0 332.403 3.535 10 30 EHEERN Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000151061124 1039723121 /nfs/dbraw/zinc/72/31/21/1039723121.db2.gz WUZWERFMMGEDPQ-FOIQADDNSA-N 0 0 339.414 3.685 10 30 EHEERN CSc1cc2c(cc1NC(=O)N1CC[C@H]3CCC[C@H]31)OCCO2 ZINC000330238195 1040293174 /nfs/dbraw/zinc/29/31/74/1040293174.db2.gz HVDMQRWLZNZXGD-DGCLKSJQSA-N 0 0 334.441 3.600 10 30 EHEERN Cc1c(Br)ccc(NC(=O)N[C@H]2CCC[C@H]2C#N)c1F ZINC000408392332 1044748367 /nfs/dbraw/zinc/74/83/67/1044748367.db2.gz HPZYWDYNQRHING-ONGXEEELSA-N 0 0 340.196 3.710 10 30 EHEERN C#Cc1cccc(N(CC)C(=O)c2ccc3cc(OC)ccc3n2)c1 ZINC000103028057 1132608632 /nfs/dbraw/zinc/60/86/32/1132608632.db2.gz VBJPDTCXDPZHEW-UHFFFAOYSA-N 0 0 330.387 3.891 10 30 EHEERN S=C1N=NC(c2cccs2)N1N=Cc1c[nH]c2ccccc12 ZINC000101416908 219126621 /nfs/dbraw/zinc/12/66/21/219126621.db2.gz RRLQSYOGNJQYRD-MFOYZWKCSA-N 0 0 325.422 3.659 10 30 EHEERN N#CCOc1ccccc1NC(=O)c1sccc1Br ZINC000104296505 219372076 /nfs/dbraw/zinc/37/20/76/219372076.db2.gz UCCLQAQSUOYLSA-UHFFFAOYSA-N 0 0 337.198 3.665 10 30 EHEERN CCCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@H]1c1ccc(F)cc1 ZINC000040357999 213293678 /nfs/dbraw/zinc/29/36/78/213293678.db2.gz FOYDYSRYHMLPND-QGZVFWFLSA-N 0 0 333.403 3.936 10 30 EHEERN COc1cc([C@H](C#N)NC2CCCCC2)cc(Br)c1O ZINC000037969368 213177437 /nfs/dbraw/zinc/17/74/37/213177437.db2.gz TWQHHKOFHOKVAE-ZDUSSCGKSA-N 0 0 339.233 3.650 10 30 EHEERN C=CCNC(=O)c1cc2sccc2n1Cc1ccc(F)c(F)c1 ZINC000037541531 213154578 /nfs/dbraw/zinc/15/45/78/213154578.db2.gz TWTBJQFLMVNHPF-UHFFFAOYSA-N 0 0 332.375 3.945 10 30 EHEERN Cn1c2ccccc2s/c1=N\N=C\C=C\c1ccccc1[N+](=O)[O-] ZINC000025157833 212463294 /nfs/dbraw/zinc/46/32/94/212463294.db2.gz JUFWHDGNWISKDL-GVAHDWBWSA-N 0 0 338.392 3.748 10 30 EHEERN C#CCN(Cc1ccco1)C(=O)c1cc([C@@H](C)c2ccccc2)no1 ZINC000012154508 211309370 /nfs/dbraw/zinc/30/93/70/211309370.db2.gz ZYDPGRSBGHEFHN-HNNXBMFYSA-N 0 0 334.375 3.695 10 30 EHEERN COc1ccc2c(c1)C(=O)/C(=C\N(C)C)[C@H](c1ccc(F)cc1)O2 ZINC000096341576 218744895 /nfs/dbraw/zinc/74/48/95/218744895.db2.gz DUONXFZMXUZTSH-SKTWIKFTSA-N 0 0 327.355 3.596 10 30 EHEERN S=C(N/N=C/c1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@@H]2C=C[C@H]1C2 ZINC000000172049 563251543 /nfs/dbraw/zinc/25/15/43/563251543.db2.gz QMBXKKQAQSNTDW-WXDUYUPHSA-N 0 0 340.279 3.756 10 30 EHEERN O=[N+]([O-])c1cccc(NN=Cc2ccc(O)c(Br)c2)c1 ZINC000006220941 563561302 /nfs/dbraw/zinc/56/13/02/563561302.db2.gz CQZOPYRLJBPVPA-OVCLIPMQSA-N 0 0 336.145 3.509 10 30 EHEERN O=C(/C=C/c1cc(O)cc(F)c1)c1cc2c(s1)SCC(=O)N2 ZINC000184763366 1032331272 /nfs/dbraw/zinc/33/12/72/1032331272.db2.gz MOZUJFQDPZKZJC-OWOJBTEDSA-N 0 0 335.381 3.533 10 30 EHEERN COc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCOC2(CCCC2)C1 ZINC000330121880 1017942423 /nfs/dbraw/zinc/94/24/23/1017942423.db2.gz HCQIULFDUYQVLT-GOSISDBHSA-N 0 0 344.455 3.632 10 30 EHEERN Cc1nc(-c2ccccc2NC(=O)N[C@@H]2CCC[C@H]2C#N)cs1 ZINC000333436726 1019557366 /nfs/dbraw/zinc/55/73/66/1019557366.db2.gz LAVUMKZPQQKZOA-GXTWGEPZSA-N 0 0 326.425 3.932 10 30 EHEERN O=C(NCC1CC(c2ccccc2)C1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000328760772 1020304872 /nfs/dbraw/zinc/30/48/72/1020304872.db2.gz XSUOGPMOFWLHBY-LHQXJTHXSA-N 0 0 342.483 3.721 10 30 EHEERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3cc(C#N)cs3)C2)cc1 ZINC000084112718 1020973318 /nfs/dbraw/zinc/97/33/18/1020973318.db2.gz PTHJDWPAHMZGKI-WFASDCNBSA-N 0 0 326.421 3.647 10 30 EHEERN CC[C@H](NC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1)c1cccs1 ZINC000328894271 1022528819 /nfs/dbraw/zinc/52/88/19/1022528819.db2.gz ARGFUOKFSJJKDP-MELADBBJSA-N 0 0 335.473 3.944 10 30 EHEERN CC(C)CC(=O)N1CCC(COc2ccc(C#N)cc2Cl)CC1 ZINC000184981353 1024001124 /nfs/dbraw/zinc/00/11/24/1024001124.db2.gz MQBOJQNKEFXKCF-UHFFFAOYSA-N 0 0 334.847 3.875 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](C)c2cncc(F)c2)cs1 ZINC000330196697 1024007402 /nfs/dbraw/zinc/00/74/02/1024007402.db2.gz QSEMHQGSHRRQRW-BONVTDFDSA-N 0 0 334.420 3.798 10 30 EHEERN Cc1csc([C@@H]2CCCCN2C(=O)CNC(=O)c2ccsc2)n1 ZINC000329661446 1024017002 /nfs/dbraw/zinc/01/70/02/1024017002.db2.gz OMPKUZXNNYKCMI-ZDUSSCGKSA-N 0 0 349.481 3.571 10 30 EHEERN O=C(Nc1ccc(OC(F)F)c2cccnc12)N1C[C@H]2CCC[C@@H]21 ZINC000330086160 1024311673 /nfs/dbraw/zinc/31/16/73/1024311673.db2.gz RWUDSDDQRIEIAQ-MFKMUULPSA-N 0 0 333.338 3.866 10 30 EHEERN Cc1cnn(CC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)c1 ZINC000330151209 1024336309 /nfs/dbraw/zinc/33/63/09/1024336309.db2.gz LHCUGWYAGJKDMT-MRXNPFEDSA-N 0 0 325.412 3.985 10 30 EHEERN Cc1cc2c(cc1C)[C@@H](C(=O)N1C[C@@H](c3ccccc3)[C@H](C#N)C1)CO2 ZINC000329220028 1025676141 /nfs/dbraw/zinc/67/61/41/1025676141.db2.gz AITVUBGMLDQJHS-HOJAQTOUSA-N 0 0 346.430 3.545 10 30 EHEERN CCN(C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1)C1CCCC1 ZINC000329282490 1025719971 /nfs/dbraw/zinc/71/99/71/1025719971.db2.gz NPCCJJXJUPPCBU-CQSZACIVSA-N 0 0 332.492 3.674 10 30 EHEERN C[C@@H]1CCC[C@H](N(C)C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000329308874 1025738215 /nfs/dbraw/zinc/73/82/15/1025738215.db2.gz YZRFMBUUOMYPBG-OAGGEKHMSA-N 0 0 346.519 3.920 10 30 EHEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1cc(F)c(F)c(F)c1 ZINC000186006335 1025919044 /nfs/dbraw/zinc/91/90/44/1025919044.db2.gz NYIQZPUATDOSPL-SNVBAGLBSA-N 0 0 343.312 3.729 10 30 EHEERN CC[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc2c(c1)CCO2 ZINC000186028482 1026129668 /nfs/dbraw/zinc/12/96/68/1026129668.db2.gz RYBFBAXLRWSQEK-SFHVURJKSA-N 0 0 345.406 3.637 10 30 EHEERN Cc1ccc(-n2cccn2)cc1NC(=O)/C=C\c1ccccc1C#N ZINC000588569266 1029307944 /nfs/dbraw/zinc/30/79/44/1029307944.db2.gz ZNOVKXJCAMYMHN-NTMALXAHSA-N 0 0 328.375 3.704 10 30 EHEERN C#CCCCCNC(=O)N1C[C@H](c2ccccc2Cl)OC[C@@H]1C ZINC000155009087 1029398555 /nfs/dbraw/zinc/39/85/55/1029398555.db2.gz XFEFUSDROQHXGT-WMLDXEAASA-N 0 0 334.847 3.615 10 30 EHEERN CCn1cc(C2CCN(C(=O)NCCC3CCCCC3)CC2)cn1 ZINC000329432602 1030730440 /nfs/dbraw/zinc/73/04/40/1030730440.db2.gz KXNYGWSLBVTHDM-UHFFFAOYSA-N 0 0 332.492 3.967 10 30 EHEERN N#CCc1cccc(C(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000174066910 1031159548 /nfs/dbraw/zinc/15/95/48/1031159548.db2.gz KMCZHEJRBUOLAX-UHFFFAOYSA-N 0 0 337.398 3.608 10 30 EHEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000329643067 1031568312 /nfs/dbraw/zinc/56/83/12/1031568312.db2.gz YPCBVFKHENCNNQ-MAUKXSAKSA-N 0 0 349.438 3.714 10 30 EHEERN N#CC1(C(=O)N2CCC[C@@H](c3nc(-c4ccccc4)c[nH]3)C2)CCCC1 ZINC000113219751 1037780491 /nfs/dbraw/zinc/78/04/91/1037780491.db2.gz RIEKONJZKJMWOH-QGZVFWFLSA-N 0 0 348.450 3.867 10 30 EHEERN N#Cc1ccc(Oc2ccc(C(=O)N3CC[C@H]4CCC[C@@H]43)cc2)nc1 ZINC000330264994 1042732008 /nfs/dbraw/zinc/73/20/08/1042732008.db2.gz YPQCMJGCONSWID-QAPCUYQASA-N 0 0 333.391 3.760 10 30 EHEERN Cc1ccc([C@@H]2CCCN2S(=O)(=O)CC2(C#N)CCCCC2)o1 ZINC000408310614 1043022273 /nfs/dbraw/zinc/02/22/73/1043022273.db2.gz SXHNJWYPWJCVHI-HNNXBMFYSA-N 0 0 336.457 3.529 10 30 EHEERN C#Cc1cccc(N(C)C(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)c1 ZINC000103031231 1132610792 /nfs/dbraw/zinc/61/07/92/1132610792.db2.gz AYGGZKFGEMYLHT-LIRRHRJNSA-N 0 0 332.403 3.539 10 30 EHEERN C=CCCO[C@@H](C)C(=O)Oc1ccc(-c2noc(C3CC3)n2)cc1 ZINC000103846372 1133904339 /nfs/dbraw/zinc/90/43/39/1133904339.db2.gz QCFISXDFARHJNL-LBPRGKRZSA-N 0 0 328.368 3.501 10 30 EHEERN C#CC[C@@H](OC(=O)Cc1ccccc1C(F)(F)F)c1ccccn1 ZINC000105550070 1135953678 /nfs/dbraw/zinc/95/36/78/1135953678.db2.gz HNAGISMZNCJZSS-MRXNPFEDSA-N 0 0 333.309 3.951 10 30 EHEERN Cc1cccc(/C=N/c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 ZINC000100145564 219092243 /nfs/dbraw/zinc/09/22/43/219092243.db2.gz BAEPHOWSPBZFFD-HMMYKYKNSA-N 0 0 342.464 3.920 10 30 EHEERN CCCCCCCCCCCCCCCC(=O)NC[C@@H](O)CO ZINC000066073774 215006565 /nfs/dbraw/zinc/00/65/65/215006565.db2.gz SDXILVKMZVEKBZ-GOSISDBHSA-N 0 0 329.525 3.937 10 30 EHEERN Cc1c(Cl)ccc2c(O)c(C(=O)Nc3ccccc3C#N)cnc12 ZINC000040359371 213293724 /nfs/dbraw/zinc/29/37/24/213293724.db2.gz YFNPUFUIXZYLAH-UHFFFAOYSA-N 0 0 337.766 3.614 10 30 EHEERN N/C(=N\O)c1ccc(COc2ccc(Cl)c(Cl)c2)c(F)c1 ZINC000038001462 213185666 /nfs/dbraw/zinc/18/56/66/213185666.db2.gz NTLZADWQRHHSHH-UHFFFAOYSA-N 0 0 329.158 3.806 10 30 EHEERN COc1ccc(/C=C2/CC[C@@H]3[C@@H](CCCC34OCCO4)C2=O)cc1 ZINC000031719289 212745262 /nfs/dbraw/zinc/74/52/62/212745262.db2.gz VTTUERHBIOYDLZ-FNXPSMSCSA-N 0 0 328.408 3.601 10 30 EHEERN S=C(N/N=C/c1c(Cl)cccc1Cl)N[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000215685599 241139129 /nfs/dbraw/zinc/13/91/29/241139129.db2.gz ZWGSOQFBFQKSPZ-QVTNCNOCSA-N 0 0 340.279 3.756 10 30 EHEERN N#Cc1ccc(NC(=O)CCOc2ccccc2Br)cc1 ZINC000019847524 212075504 /nfs/dbraw/zinc/07/55/04/212075504.db2.gz XXINYRKSPKADEC-UHFFFAOYSA-N 0 0 345.196 3.728 10 30 EHEERN N#Cc1cccc(NC(=O)CCOc2ccc(Br)cc2)c1 ZINC000019847264 212074945 /nfs/dbraw/zinc/07/49/45/212074945.db2.gz DSXPBNWVVJYZCK-UHFFFAOYSA-N 0 0 345.196 3.728 10 30 EHEERN Cc1ccc(CN2CCN(/N=C\c3ccccc3F)CC2)c(C)c1 ZINC000019791083 212067603 /nfs/dbraw/zinc/06/76/03/212067603.db2.gz KPTDKZBLPIBXFQ-HMAPJEAMSA-N 0 0 325.431 3.594 10 30 EHEERN N#CC1(c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc32)CC1 ZINC000038208298 132396666 /nfs/dbraw/zinc/39/66/66/132396666.db2.gz GSCDSWQGFDVKHH-UHFFFAOYSA-N 0 0 337.814 3.673 10 30 EHEERN O=C1C(=NNc2ccccc2)[C@@H]2OC[C@@H](O2)C1=NNc1ccccc1 ZINC000032107141 564130130 /nfs/dbraw/zinc/13/01/30/564130130.db2.gz KVWYSHCEPZCDTE-TYPRIDKYSA-N 0 0 336.351 3.763 10 30 EHEERN CC(=O)Nc1ccc(C(C)=NOCc2nc(C)c3ccccc3n2)cc1 ZINC000588600271 1032466462 /nfs/dbraw/zinc/46/64/62/1032466462.db2.gz DLEGDUPLKBWMBH-UHFFFAOYSA-N 0 0 348.406 3.837 10 30 EHEERN COc1ccc(O)cc1C(=O)/C=C\c1ccc(O)c(Br)c1 ZINC000588410408 1020856792 /nfs/dbraw/zinc/85/67/92/1020856792.db2.gz WQTAXKGNFXRQHY-DJWKRKHSSA-N 0 0 349.180 3.765 10 30 EHEERN Cc1nc([C@@H](C)NC(=O)c2nnn(CC3CCCC3)c2C)cs1 ZINC000329829555 1033009087 /nfs/dbraw/zinc/00/90/87/1033009087.db2.gz DSOUIBQIENAPQO-SNVBAGLBSA-N 0 0 333.461 3.607 10 30 EHEERN Cn1cc(C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)c2ccccc21 ZINC000328639984 1022451610 /nfs/dbraw/zinc/45/16/10/1022451610.db2.gz CHEFREXKLLTJGU-PKOBYXMFSA-N 0 0 335.407 3.798 10 30 EHEERN CCCC(C#N)(CCC)NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588440068 1022455578 /nfs/dbraw/zinc/45/55/78/1022455578.db2.gz SYGJSRFQCKDQGT-OWBHPGMISA-N 0 0 329.400 3.977 10 30 EHEERN CC1(C)C[C@@H](NC(=O)c2cn3c(n2)CCCC3)c2ccccc2O1 ZINC000328737310 1022475946 /nfs/dbraw/zinc/47/59/46/1022475946.db2.gz ZZHJGUDGAKSTIP-CQSZACIVSA-N 0 0 325.412 3.826 10 30 EHEERN C[C@@H](NC(=O)[C@@H]1CCC(=O)[C@H](C)C1)c1cccc(-n2ccnc2)c1 ZINC000328941369 1022537612 /nfs/dbraw/zinc/53/76/12/1022537612.db2.gz LAIBIBGTGRWRPN-IIAWOOMASA-N 0 0 325.412 3.895 10 30 EHEERN C[C@@H](NC(=O)N1CCC(C#N)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000057991036 1023295524 /nfs/dbraw/zinc/29/55/24/1023295524.db2.gz XXMLAQLJOMCGAE-LLVKDONJSA-N 0 0 341.333 3.591 10 30 EHEERN C[C@@H]1CC(CNC(=O)N2CCOC3(C2)CCCCCC3)C[C@@H](C)O1 ZINC000329816897 1024208659 /nfs/dbraw/zinc/20/86/59/1024208659.db2.gz WKIBWENQMKCTCD-HZPDHXFCSA-N 0 0 338.492 3.529 10 30 EHEERN CC(C)[C@H]1CC[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)CC1 ZINC000329893462 1024239304 /nfs/dbraw/zinc/23/93/04/1024239304.db2.gz ARNLWHFXWLZZDQ-QAETUUGQSA-N 0 0 348.466 3.812 10 30 EHEERN O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1C[C@H]2CCC[C@@H]21 ZINC000329945534 1024260462 /nfs/dbraw/zinc/26/04/62/1024260462.db2.gz XGQPEJHPUNULQM-KCJUWKMLSA-N 0 0 325.290 3.876 10 30 EHEERN CC1(C)CCC[C@H](C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)C1 ZINC000329980781 1024274231 /nfs/dbraw/zinc/27/42/31/1024274231.db2.gz MAHLAWVEXXIYLR-KKUMJFAQSA-N 0 0 334.439 3.566 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CCc3cc(C)ccc3O1)CCC2 ZINC000330016652 1024290078 /nfs/dbraw/zinc/29/00/78/1024290078.db2.gz PWUKQZTWVJXZRP-FUHWJXTLSA-N 0 0 339.439 3.728 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)Nc1nc(CC(C)(C)C)cs1 ZINC000330137911 1024330806 /nfs/dbraw/zinc/33/08/06/1024330806.db2.gz OCUUWEMPYFECRV-TZMCWYRMSA-N 0 0 348.472 3.831 10 30 EHEERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)NC1CCC(C(F)(F)F)CC1 ZINC000330281926 1024382969 /nfs/dbraw/zinc/38/29/69/1024382969.db2.gz AFTGLFRKJCRIIA-BLYZHGLHSA-N 0 0 336.398 3.672 10 30 EHEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2nc3c(s2)CCCC3)cn1 ZINC000330310116 1024601714 /nfs/dbraw/zinc/60/17/14/1024601714.db2.gz USMPPZVVFQWUSA-SWLSCSKDSA-N 0 0 346.456 3.604 10 30 EHEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2cnc3c(c2)CCCC3)cn1 ZINC000330319486 1024707993 /nfs/dbraw/zinc/70/79/93/1024707993.db2.gz DGJMGOWNNPUQJZ-FUHWJXTLSA-N 0 0 340.427 3.543 10 30 EHEERN CCN(C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1)C1CCCC1 ZINC000329282489 1025720576 /nfs/dbraw/zinc/72/05/76/1025720576.db2.gz NPCCJJXJUPPCBU-AWEZNQCLSA-N 0 0 332.492 3.674 10 30 EHEERN CCCC(=O)N[C@@H]1CCCN(C(=O)Nc2cnc3c(c2)CCCC3)C1 ZINC000329323277 1025753494 /nfs/dbraw/zinc/75/34/94/1025753494.db2.gz HKLKTRCOFAORNE-OAHLLOKOSA-N 0 0 344.459 3.727 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)c2cc3ccccc3o2)no1 ZINC000329380853 1025795527 /nfs/dbraw/zinc/79/55/27/1025795527.db2.gz NMMZXPHGEGSTDY-RISCZKNCSA-N 0 0 340.383 3.936 10 30 EHEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(F)cc1F ZINC000186005710 1025889650 /nfs/dbraw/zinc/88/96/50/1025889650.db2.gz DZJZUMLCKWQQIB-LLVKDONJSA-N 0 0 325.322 3.590 10 30 EHEERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000329122252 1028729569 /nfs/dbraw/zinc/72/95/69/1028729569.db2.gz WQHOGWGAIPWQQC-LKTVYLICSA-N 0 0 342.361 3.838 10 30 EHEERN C[C@@H]1c2ccccc2O[C@H]1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000117620096 1031781265 /nfs/dbraw/zinc/78/12/65/1031781265.db2.gz YWFBBRONIDGENM-AUUYWEPGSA-N 0 0 336.391 3.872 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)c2cncc(F)c2)cs1 ZINC000330196696 1038557451 /nfs/dbraw/zinc/55/74/51/1038557451.db2.gz QSEMHQGSHRRQRW-BMIGLBTASA-N 0 0 334.420 3.798 10 30 EHEERN Cc1nc([C@@H]2CCCN2CC(=O)Nc2nc3c(s2)CCC3)cs1 ZINC000330218899 1038860530 /nfs/dbraw/zinc/86/05/30/1038860530.db2.gz JUWUAFPJCIVRLG-ZDUSSCGKSA-N 0 0 348.497 3.822 10 30 EHEERN Cc1cnn(-c2ccc(NC(=O)N3CC[C@@H]4CCC[C@H]43)cc2F)c1 ZINC000330264877 1042729578 /nfs/dbraw/zinc/72/95/78/1042729578.db2.gz YKVDHIHLONXJRB-XJKSGUPXSA-N 0 0 328.391 3.740 10 30 EHEERN Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]2C#N)cnc1N1CCCC[C@@H]1C ZINC000408238735 1042827726 /nfs/dbraw/zinc/82/77/26/1042827726.db2.gz YLBCPXWIGDWKNT-ZMSDIMECSA-N 0 0 341.459 3.583 10 30 EHEERN Cc1cc(NC(=O)N[C@@H]2CCC[C@H]2C#N)cnc1N1CCCC[C@@H]1C ZINC000408238733 1042828189 /nfs/dbraw/zinc/82/81/89/1042828189.db2.gz YLBCPXWIGDWKNT-YQQAZPJKSA-N 0 0 341.459 3.583 10 30 EHEERN O=C(Nc1cccc(C(=O)N2CC[C@@H]3CCC[C@H]32)c1)c1cccnc1 ZINC000330292204 1042837557 /nfs/dbraw/zinc/83/75/57/1042837557.db2.gz DCLGQJIMDCXTSU-KBXCAEBGSA-N 0 0 335.407 3.733 10 30 EHEERN O=[N+]([O-])c1ccc(F)c(/N=C\c2cc(Br)ccc2O)c1 ZINC000100456756 219099945 /nfs/dbraw/zinc/09/99/45/219099945.db2.gz LLDCWDPSYKJBPL-APSNUPSMSA-N 0 0 339.120 3.953 10 30 EHEERN CN(C)/N=C/C=C1\CC/C(=C\c2ccc(Br)cc2)C1=O ZINC000004482370 210199819 /nfs/dbraw/zinc/19/98/19/210199819.db2.gz DFGMJCZAZQDOIH-ATQAOJCBSA-N 0 0 333.229 3.669 10 30 EHEERN COc1ccc(/C=C2\Oc3cc(OC(=O)C4CC4)ccc3C2=O)cc1 ZINC000039753879 213242966 /nfs/dbraw/zinc/24/29/66/213242966.db2.gz ORMRYVCYEOSRNE-ZDLGFXPLSA-N 0 0 336.343 3.627 10 30 EHEERN C=CC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccccn1 ZINC000012486645 211393611 /nfs/dbraw/zinc/39/36/11/211393611.db2.gz RCILJVFUXLFXOT-NWLJRCHWSA-N 0 0 338.411 3.720 10 30 EHEERN CCN(CCC#N)c1ccc(NN=C2c3ccccc3C=CC2=O)cc1 ZINC000013466787 563698929 /nfs/dbraw/zinc/69/89/29/563698929.db2.gz SSDUMKWAHBEUMC-DARPEHSRSA-N 0 0 344.418 3.839 10 30 EHEERN CN(Cc1nccs1)[C@H]1CC12CCN(c1ccc(C#N)cc1)CC2 ZINC000275638953 564009729 /nfs/dbraw/zinc/00/97/29/564009729.db2.gz KBUDOLBNEMKLKO-KRWDZBQOSA-N 0 0 338.480 3.506 10 30 EHEERN Cc1nc2c(s1)CCC[C@@H]2CN(C)C([O-])=[NH+]c1cnccc1C ZINC000328624772 564137054 /nfs/dbraw/zinc/13/70/54/564137054.db2.gz KFFDDOPKGNDMJN-CYBMUJFWSA-N 0 0 330.457 3.752 10 30 EHEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000330021235 1016841115 /nfs/dbraw/zinc/84/11/15/1016841115.db2.gz XNILTXLKYIKBIZ-WDEREUQCSA-N 0 0 346.481 3.955 10 30 EHEERN Cn1c(=O)sc2cc(/C=C\C(=O)c3ccc(F)cc3F)ccc21 ZINC000588599418 1032450972 /nfs/dbraw/zinc/45/09/72/1032450972.db2.gz VVCOVKIJYKSWLC-CLTKARDFSA-N 0 0 331.343 3.774 10 30 EHEERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cc(C#N)cs3)C2)cc1 ZINC000084112720 1020971567 /nfs/dbraw/zinc/97/15/67/1020971567.db2.gz PTHJDWPAHMZGKI-SWLSCSKDSA-N 0 0 326.421 3.647 10 30 EHEERN CON=Cc1ccc(C(=O)N2CC[C@@H](c3cc(C)cc(C)c3)C2)cc1 ZINC000588432159 1021984216 /nfs/dbraw/zinc/98/42/16/1021984216.db2.gz YBEGCZFHZAOJLM-LJQANCHMSA-N 0 0 336.435 3.913 10 30 EHEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)NC[C@H]1CCCn2ccnc21 ZINC000328604907 1022449929 /nfs/dbraw/zinc/44/99/29/1022449929.db2.gz JAKXIUUXPVZYMV-QBPKDAKJSA-N 0 0 332.492 3.725 10 30 EHEERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)[C@H]1Cc2ccccc2S1 ZINC000328642643 1022454182 /nfs/dbraw/zinc/45/41/82/1022454182.db2.gz DYFLSIFHMRDBQR-CGTJXYLNSA-N 0 0 340.448 3.975 10 30 EHEERN Cc1ccc(NC(=O)[C@H](C)N2CCC[C@H](n3cccn3)C2)c(F)c1 ZINC000328681646 1022466720 /nfs/dbraw/zinc/46/67/20/1022466720.db2.gz CPHCNUTWSJBNOT-GJZGRUSLSA-N 0 0 330.407 3.644 10 30 EHEERN O=C(N[C@@H]1CCCc2cc(F)ccc21)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328760026 1022482750 /nfs/dbraw/zinc/48/27/50/1022482750.db2.gz XELRGBKNGSKLOD-HZPDHXFCSA-N 0 0 345.418 3.748 10 30 EHEERN CC[C@H](Cc1ccccc1)N(C)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000328870414 1022522917 /nfs/dbraw/zinc/52/29/17/1022522917.db2.gz HYXJFLQQZKHERQ-LMMKCTJWSA-N 0 0 343.471 3.751 10 30 EHEERN C[C@@H]1Oc2ccc(NC(=O)C[C@@H]3CCCCNC3=O)cc2NC1=O ZINC000328876023 1022525219 /nfs/dbraw/zinc/52/52/19/1022525219.db2.gz SIPIWHTVNRZRQI-QWRGUYRKSA-N 0 0 331.372 3.790 10 30 EHEERN O=C(C[C@@H]1CCOc2ccccc21)N[C@H]1CCO[C@@H]1c1cccnc1 ZINC000328942127 1022538287 /nfs/dbraw/zinc/53/82/87/1022538287.db2.gz ABLLOFQJFUNFIT-GZRFBZBPSA-N 0 0 338.407 3.825 10 30 EHEERN CCN(C(=O)/C=C\c1ncccc1C)c1ccc(C#N)c(Cl)c1 ZINC000588454005 1023046972 /nfs/dbraw/zinc/04/69/72/1023046972.db2.gz SPVHWANXWIOEOC-HJWRWDBZSA-N 0 0 325.799 3.981 10 30 EHEERN CC(C)Cn1ccnc1CNC(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000329719959 1024132892 /nfs/dbraw/zinc/13/28/92/1024132892.db2.gz MQGFTUQZXLFHEF-JXFKEZNVSA-N 0 0 339.439 3.736 10 30 EHEERN C[C@]1(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCO[C@H]1C1CC1 ZINC000329752827 1024177720 /nfs/dbraw/zinc/17/77/20/1024177720.db2.gz JSCGWVWEWXYETN-XFMPKHEZSA-N 0 0 334.382 3.569 10 30 EHEERN Cc1ccc(NC(=O)N2C[C@H]3CCC[C@@H]32)cc1OCC1CCOCC1 ZINC000329920366 1024248367 /nfs/dbraw/zinc/24/83/67/1024248367.db2.gz GYYHFYOZLIDPOR-AEFFLSMTSA-N 0 0 344.455 3.830 10 30 EHEERN CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000329150067 1025630957 /nfs/dbraw/zinc/63/09/57/1025630957.db2.gz ZGOXLWVZLCIDRR-OCVGTWLNSA-N 0 0 337.489 3.519 10 30 EHEERN C[C@@H](NC(=O)Nc1csc2ccccc12)c1nnc2n1CCCC2 ZINC000329461690 1025882818 /nfs/dbraw/zinc/88/28/18/1025882818.db2.gz STYQSRYOZHVFGN-LLVKDONJSA-N 0 0 341.440 3.916 10 30 EHEERN Cc1cnn([C@@H]2CCCN(C(=O)N[C@H]3CCc4cc(C)ccc43)C2)c1 ZINC000329492409 1025923032 /nfs/dbraw/zinc/92/30/32/1025923032.db2.gz WCOAQENEGJWNDL-MJGOQNOKSA-N 0 0 338.455 3.738 10 30 EHEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(F)c(F)c1 ZINC000186011435 1025944362 /nfs/dbraw/zinc/94/43/62/1025944362.db2.gz FSNILVYZMJQKBQ-NSHDSACASA-N 0 0 325.322 3.590 10 30 EHEERN CC[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccccc1OC ZINC000186013806 1026071462 /nfs/dbraw/zinc/07/14/62/1026071462.db2.gz NRYVTIOQCQMRTC-QGZVFWFLSA-N 0 0 333.395 3.711 10 30 EHEERN C#CCOc1ccc([C@H](C)N[C@H]2CCCn3nc(C(C)C)nc32)cc1 ZINC000167952242 1026623926 /nfs/dbraw/zinc/62/39/26/1026623926.db2.gz YAWVJAKQMBHUJV-YJBOKZPZSA-N 0 0 338.455 3.599 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NCC(=O)N(c1ccccc1)C1CCCCC1 ZINC000333621027 1027148370 /nfs/dbraw/zinc/14/83/70/1027148370.db2.gz POFAUQFAHOXSNW-LPHOPBHVSA-N 0 0 325.456 3.634 10 30 EHEERN C[C@@H](NCc1nnc(-c2ccccc2)s1)c1ccc(C#N)s1 ZINC000183340684 1027623244 /nfs/dbraw/zinc/62/32/44/1027623244.db2.gz RYJRCGBGZDNYMZ-LLVKDONJSA-N 0 0 326.450 3.989 10 30 EHEERN C#Cc1cccc(NC(=O)NC2CCN(c3cccs3)CC2)c1 ZINC000130554595 1027678766 /nfs/dbraw/zinc/67/87/66/1027678766.db2.gz RQCQUSGVYNRZBS-UHFFFAOYSA-N 0 0 325.437 3.520 10 30 EHEERN C[C@@H]1CCCC[C@@H]1N(C)C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329187100 1029976609 /nfs/dbraw/zinc/97/66/09/1029976609.db2.gz BBBGRNUGYXFQBP-OAGGEKHMSA-N 0 0 346.519 3.920 10 30 EHEERN Cc1cnn([C@@H]2CCCN(C([O-])=[NH+]c3nc(C(C)(C)C)cs3)C2)c1 ZINC000329342265 1030461880 /nfs/dbraw/zinc/46/18/80/1030461880.db2.gz BVHXGOMLJZXDSP-CYBMUJFWSA-N 0 0 347.488 3.828 10 30 EHEERN C=CCOc1ccccc1C(=O)N1CCC[C@H](c2nccs2)C1 ZINC000171723799 1030813211 /nfs/dbraw/zinc/81/32/11/1030813211.db2.gz ABRSJFDZKUVZCQ-AWEZNQCLSA-N 0 0 328.437 3.728 10 30 EHEERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000329628090 1031469401 /nfs/dbraw/zinc/46/94/01/1031469401.db2.gz PQPQBZILTJDJLW-LJISPDSOSA-N 0 0 348.409 3.816 10 30 EHEERN C[C@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000117620094 1031780834 /nfs/dbraw/zinc/78/08/34/1031780834.db2.gz YWFBBRONIDGENM-LIRRHRJNSA-N 0 0 336.391 3.872 10 30 EHEERN Cc1cc2cc(CNC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc2[nH]1 ZINC000329716896 1031934134 /nfs/dbraw/zinc/93/41/34/1031934134.db2.gz XAMAMDTVDSPVAB-YLJYHZDGSA-N 0 0 341.455 3.517 10 30 EHEERN C[C@@H](Nc1ccc2c(c1)CN(C)C(=O)N2)c1ccc(OCC#N)cc1 ZINC000186534720 1035655709 /nfs/dbraw/zinc/65/57/09/1035655709.db2.gz LEQPTJBYAHXWDJ-CYBMUJFWSA-N 0 0 336.395 3.739 10 30 EHEERN N#CCc1ccc(NC(=O)N2CCC[C@H](c3nccs3)C2)cc1 ZINC000114806880 1037811700 /nfs/dbraw/zinc/81/17/00/1037811700.db2.gz VCFYZOBPULAELU-AWEZNQCLSA-N 0 0 326.425 3.621 10 30 EHEERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@H]1CCOC2(CCC2)C1 ZINC000330233033 1039683047 /nfs/dbraw/zinc/68/30/47/1039683047.db2.gz XRGMBXPHTASQOX-XQQFMLRXSA-N 0 0 334.382 3.713 10 30 EHEERN N#C[C@@]1(NC(=O)C/C=C\c2ccc(F)cc2)CCc2ccccc2C1 ZINC000588490787 1040688450 /nfs/dbraw/zinc/68/84/50/1040688450.db2.gz XTZYAEOQQSMSMF-VKUXZERMSA-N 0 0 334.394 3.796 10 30 EHEERN N#C[C@H]1N(C(=O)c2ccc(C(F)F)cc2)CCC[C@]12CCCCO2 ZINC000408267967 1042899569 /nfs/dbraw/zinc/89/95/69/1042899569.db2.gz HSSVNYFFTAIIDU-CRAIPNDOSA-N 0 0 334.366 3.692 10 30 EHEERN N#Cc1c2c(sc1NC(=O)[C@H]1CCCc3cccnc31)CCCC2 ZINC000193805621 1121680536 /nfs/dbraw/zinc/68/05/36/1121680536.db2.gz CNTVMTVNOPWFPC-AWEZNQCLSA-N 0 0 337.448 3.952 10 30 EHEERN N/C(=N/O)c1c(Cl)cccc1Oc1cccc(Br)c1 ZINC000052906690 214153765 /nfs/dbraw/zinc/15/37/65/214153765.db2.gz VGOSEPYLCAPKGD-UHFFFAOYSA-N 0 0 341.592 3.989 10 30 EHEERN Cc1ccc(S(=O)(=O)/N=C\c2ccc(Br)cc2)cc1 ZINC000100139919 219092828 /nfs/dbraw/zinc/09/28/28/219092828.db2.gz PQUIUBJMRRZMDV-YBEGLDIGSA-N 0 0 338.226 3.565 10 30 EHEERN CCn1cc2c3c1cccc3CN(C(=O)c1ccc(C#N)cc1)CC2 ZINC000065148592 214832542 /nfs/dbraw/zinc/83/25/42/214832542.db2.gz OJXSCABIJYPFDP-UHFFFAOYSA-N 0 0 329.403 3.731 10 30 EHEERN C=C1C(=O)O[C@@H]2[C@H]3C(=C)[C@@H](OC(=O)C=C(C)C)C[C@H]3C(=C)CC[C@@H]12 ZINC000004098207 210119674 /nfs/dbraw/zinc/11/96/74/210119674.db2.gz CEKDWOBPPFOCDL-QAGGRKNESA-N 0 0 328.408 3.505 10 30 biogenic,in-vitro EHEERN Ic1cccc(OCC#Cc2ccccc2)c1 ZINC000104181529 219355676 /nfs/dbraw/zinc/35/56/76/219355676.db2.gz FKJHHXKADFUZIJ-UHFFFAOYSA-N 0 0 334.156 3.722 10 30 EHEERN COc1ccc(C[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001625606 209769899 /nfs/dbraw/zinc/76/98/99/209769899.db2.gz SBMZSVIBRCQFRR-OAHLLOKOSA-N 0 0 327.380 3.571 10 30 EHEERN C=C(C)C(=O)NCc1nc2ccccc2n1CCOc1ccc(C)cc1 ZINC000040194223 213280290 /nfs/dbraw/zinc/28/02/90/213280290.db2.gz DFDHQEDJKFOKPY-UHFFFAOYSA-N 0 0 349.434 3.616 10 30 EHEERN O=C(/C=C1/C(=O)Nc2ccc(Br)cc21)c1ccc(F)cc1 ZINC000036124475 213071601 /nfs/dbraw/zinc/07/16/01/213071601.db2.gz VVBIXEJMWRHSLL-MDWZMJQESA-N 0 0 346.155 3.807 10 30 EHEERN Cc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)CC(C)C)nc12 ZINC000012240356 211327489 /nfs/dbraw/zinc/32/74/89/211327489.db2.gz IFDMAYZVHCNRQX-UHFFFAOYSA-N 0 0 347.422 3.894 10 30 EHEERN C=CCNC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 ZINC000006904917 210740831 /nfs/dbraw/zinc/74/08/31/210740831.db2.gz UPHXVFOYCLWBNN-UHFFFAOYSA-N 0 0 349.356 3.686 10 30 EHEERN C[C@@H](c1cccc(C#N)c1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000189887989 1016754354 /nfs/dbraw/zinc/75/43/54/1016754354.db2.gz ZQEYJWIXVXYELN-HNNXBMFYSA-N 0 0 339.464 3.529 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)C1(c2cncc(Br)c2)CC1 ZINC000328675006 1017929934 /nfs/dbraw/zinc/92/99/34/1017929934.db2.gz QLCNBFNNSWORLU-GWCFXTLKSA-N 0 0 334.217 3.524 10 30 EHEERN N#C[C@@H]1CCC[C@H]1NC(=O)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000333351365 1019379730 /nfs/dbraw/zinc/37/97/30/1019379730.db2.gz VWBBZISCSFQKRQ-BLLLJJGKSA-N 0 0 342.830 3.512 10 30 EHEERN O=C(N[C@@H]1CCOc2ccccc21)N1CCC(c2nccs2)CC1 ZINC000328742935 1019533967 /nfs/dbraw/zinc/53/39/67/1019533967.db2.gz JTULVWPSXPSHQZ-OAHLLOKOSA-N 0 0 343.452 3.760 10 30 EHEERN Cc1nnc(SCc2cc(Cl)cc3c2OCOC3)c(C#N)c1C ZINC000182699527 1019725252 /nfs/dbraw/zinc/72/52/52/1019725252.db2.gz GIQQMTZOKBFQCR-UHFFFAOYSA-N 0 0 347.827 3.777 10 30 EHEERN CC(C)Cn1cc(NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)cn1 ZINC000329831851 1033055375 /nfs/dbraw/zinc/05/53/75/1033055375.db2.gz SXSODONZOZHINU-VQIMIIECSA-N 0 0 325.412 3.868 10 30 EHEERN O=C(C[C@@H]1CCCCC(=O)N1)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328645837 1022453018 /nfs/dbraw/zinc/45/30/18/1022453018.db2.gz AWUMXNGYWGWOFJ-RLFYNMQTSA-N 0 0 331.416 3.547 10 30 EHEERN C[C@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)N1CCc2ccccc21 ZINC000328650081 1022453047 /nfs/dbraw/zinc/45/30/47/1022453047.db2.gz IWNHCMUFEXMSEP-ZBFHGGJFSA-N 0 0 329.444 3.683 10 30 EHEERN O=C(C[C@H]1CCCCC(=O)N1)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328645838 1022453272 /nfs/dbraw/zinc/45/32/72/1022453272.db2.gz AWUMXNGYWGWOFJ-RVKKMQEKSA-N 0 0 331.416 3.547 10 30 EHEERN O=C(N[C@@H]1CCCC12CCOCC2)N1CCC[C@H](c2nccs2)C1 ZINC000328802761 1022506572 /nfs/dbraw/zinc/50/65/72/1022506572.db2.gz MMRJYLRIDKRXJO-LSDHHAIUSA-N 0 0 349.500 3.586 10 30 EHEERN C[C@@H]1Oc2ccc(NC(=O)C[C@H]3CCCCNC3=O)cc2NC1=O ZINC000328876024 1022524943 /nfs/dbraw/zinc/52/49/43/1022524943.db2.gz SIPIWHTVNRZRQI-WDEREUQCSA-N 0 0 331.372 3.790 10 30 EHEERN CCOc1cc(C#N)cc(Cl)c1OC(=O)/C=C\c1ncccc1C ZINC000588451517 1023008314 /nfs/dbraw/zinc/00/83/14/1023008314.db2.gz BSNYWQVCOGZFNM-SREVYHEPSA-N 0 0 342.782 3.933 10 30 EHEERN COc1ccccc1[C@H](C)NC(=O)CN1NC(=O)CC12CCCCC2 ZINC000329665577 1024022782 /nfs/dbraw/zinc/02/27/82/1024022782.db2.gz KMJIOMDOPOBDMN-AWEZNQCLSA-N 0 0 345.443 3.993 10 30 EHEERN Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]32)c(OC[C@H]2CCCO2)c1 ZINC000329912192 1024247019 /nfs/dbraw/zinc/24/70/19/1024247019.db2.gz BDZFBSRMWQYJGK-ZMSDIMECSA-N 0 0 330.428 3.583 10 30 EHEERN O=C(Nc1cccc(OCc2cscn2)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000329936724 1024257206 /nfs/dbraw/zinc/25/72/06/1024257206.db2.gz RRPLPBAWFWPPFZ-LRDDRELGSA-N 0 0 329.425 3.752 10 30 EHEERN CC(C)n1cnnc1-c1ccccc1NC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000329973287 1024271802 /nfs/dbraw/zinc/27/18/02/1024271802.db2.gz WTFMQBBDTFQUST-BBRMVZONSA-N 0 0 325.416 3.556 10 30 EHEERN O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000329992174 1024279177 /nfs/dbraw/zinc/27/91/77/1024279177.db2.gz XKOAVBJZKDWQQA-LUKYLMHMSA-N 0 0 346.450 3.566 10 30 EHEERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@@H]1CCCc2c[nH]nc21 ZINC000330101234 1024319105 /nfs/dbraw/zinc/31/91/05/1024319105.db2.gz FAPSJECMFGUXJZ-OCCSQVGLSA-N 0 0 342.424 3.896 10 30 EHEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)Nc2scnc2C2CC2)cn1 ZINC000330330443 1024918709 /nfs/dbraw/zinc/91/87/09/1024918709.db2.gz NHMWAVLOUJNUIQ-GXTWGEPZSA-N 0 0 332.429 3.603 10 30 EHEERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000329023304 1025571695 /nfs/dbraw/zinc/57/16/95/1025571695.db2.gz MVRCJZAMUCFVNQ-FIDHJVLJSA-N 0 0 331.460 3.906 10 30 EHEERN Cc1ccccc1NC(=O)[C@H](C)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329068943 1025587960 /nfs/dbraw/zinc/58/79/60/1025587960.db2.gz XWZGGIMFPGLVTN-DZGCQCFKSA-N 0 0 340.427 3.721 10 30 EHEERN Cc1cc(C(C)C)nc(N2CCN([C@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000186870057 1025650909 /nfs/dbraw/zinc/65/09/09/1025650909.db2.gz RXDVOIJAMNBALV-QGZVFWFLSA-N 0 0 349.482 3.663 10 30 EHEERN CC(C)c1ccc([C@H](C)NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc1 ZINC000329228791 1025679011 /nfs/dbraw/zinc/67/90/11/1025679011.db2.gz IXSHIZRPQCBGBK-IAOVAPTHSA-N 0 0 329.444 3.836 10 30 EHEERN N#C[C@@H]1CN([C@@H]2C[C@@H]2c2ccccc2)C[C@]12c1ccccc1NC2=O ZINC000329606812 1026067443 /nfs/dbraw/zinc/06/74/43/1026067443.db2.gz IDFAUDDHNBYAAN-NVEXJGOOSA-N 0 0 329.403 3.537 10 30 EHEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc2ccccc2n1 ZINC000186026608 1026127487 /nfs/dbraw/zinc/12/74/87/1026127487.db2.gz DBNQVKDSDZMGEY-AWEZNQCLSA-N 0 0 340.390 3.860 10 30 EHEERN C=CCNc1ncc(C(=O)N2CC=C(c3cccs3)CC2)s1 ZINC000129066128 1027518196 /nfs/dbraw/zinc/51/81/96/1027518196.db2.gz OIBJYHIJTDPFTM-UHFFFAOYSA-N 0 0 331.466 3.732 10 30 EHEERN CCc1nc2ccccc2n1C1CCN(C(=O)N[C@@H]2CC2(C)C)CC1 ZINC000329145360 1029878204 /nfs/dbraw/zinc/87/82/04/1029878204.db2.gz NQXMQLPYMNRVPY-QGZVFWFLSA-N 0 0 340.471 3.948 10 30 EHEERN Cc1noc([C@@H]2CCCN2C(=O)NC2CCC(C(F)(F)F)CC2)n1 ZINC000329215377 1030023445 /nfs/dbraw/zinc/02/34/45/1030023445.db2.gz MOVSQMLGBABIQB-MCIGGMRASA-N 0 0 346.353 3.550 10 30 EHEERN C[C@@H]1CCC[C@H](CCNC(=O)N2CCO[C@@H](c3nccs3)C2)C1 ZINC000329445540 1030764337 /nfs/dbraw/zinc/76/43/37/1030764337.db2.gz KYLUJQNLBBGLPW-RBSFLKMASA-N 0 0 337.489 3.647 10 30 EHEERN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC=C(c2cccs2)CC1 ZINC000117896257 1031920501 /nfs/dbraw/zinc/92/05/01/1031920501.db2.gz SOPLMGZAYLVXTC-OAHLLOKOSA-N 0 0 343.496 3.568 10 30 EHEERN Cc1ccn2cc(CNC(=O)[C@@H]3C[C@@]34CCOc3ccccc34)nc2c1 ZINC000329734928 1032031247 /nfs/dbraw/zinc/03/12/47/1032031247.db2.gz RSEFRSQEJDABDS-LAUBAEHRSA-N 0 0 347.418 3.840 10 30 EHEERN C[C@@H]1C[C@@H]1NC(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000329878374 1033641003 /nfs/dbraw/zinc/64/10/03/1033641003.db2.gz KQXBAFOTHKFWJU-INWMFGNUSA-N 0 0 341.480 3.828 10 30 EHEERN C=CC[C@@H](C(=O)N1CCC(Cc2nccn2C)CC1)c1ccccc1 ZINC000187027478 1035741759 /nfs/dbraw/zinc/74/17/59/1035741759.db2.gz JMJZMHOKHUGION-LJQANCHMSA-N 0 0 337.467 3.561 10 30 EHEERN N#Cc1csc(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)c1 ZINC000191210800 1036705384 /nfs/dbraw/zinc/70/53/84/1036705384.db2.gz JDXXPMYYNXZWTR-LBPRGKRZSA-N 0 0 332.375 3.918 10 30 EHEERN CCOc1cc2c(cc1NC(=O)N1CC[C@@H]3CCC[C@H]31)O[C@H](C)C2 ZINC000330265444 1042737545 /nfs/dbraw/zinc/73/75/45/1042737545.db2.gz ZGURCWVNCGKUQR-DVOMOZLQSA-N 0 0 330.428 3.829 10 30 EHEERN C#CC[C@@H](OC(=O)c1ccc(OCC)c(OCC)c1)c1ccccn1 ZINC000105549392 1135953262 /nfs/dbraw/zinc/95/32/62/1135953262.db2.gz OWUDPJPWXUWSMP-QGZVFWFLSA-N 0 0 339.391 3.800 10 30 EHEERN CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000100095797 219091001 /nfs/dbraw/zinc/09/10/01/219091001.db2.gz LHHVJWLMRQWALA-NWNNTGRJSA-N 0 0 341.794 3.825 10 30 EHEERN Cc1ccc(C(=O)C2=C(O)C(=O)O[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000100607572 219102734 /nfs/dbraw/zinc/10/27/34/219102734.db2.gz GHYGNXAFGQNWRY-IAOULYHDSA-N 0 0 328.751 3.785 10 30 EHEERN Cc1c(C(=O)N(C)C)oc2c1C(=NNc1ccc(F)cc1)CCC2 ZINC000040823846 213390336 /nfs/dbraw/zinc/39/03/36/213390336.db2.gz BZAVUBNGENCLSL-KGENOOAVSA-N 0 0 329.375 3.581 10 30 EHEERN C=C(C)Cn1c(CCNC(=O)c2ccc(C)cc2)nc2ccccc21 ZINC000040200084 213280636 /nfs/dbraw/zinc/28/06/36/213280636.db2.gz OLHKWWKPYREPBL-UHFFFAOYSA-N 0 0 333.435 3.893 10 30 EHEERN CCN(CC)c1ccc(/C=N\NC(=S)NC2CCCCC2)cc1 ZINC000038204385 213205481 /nfs/dbraw/zinc/20/54/81/213205481.db2.gz OHANDFDMRNPTOB-RGEXLXHISA-N 0 0 332.517 3.664 10 30 EHEERN COc1ccc(OC)c(Cc2cnc(Br)c(C#N)c2C)c1 ZINC000021989907 212268826 /nfs/dbraw/zinc/26/88/26/212268826.db2.gz AIGNWBCGKCQMFY-UHFFFAOYSA-N 0 0 347.212 3.632 10 30 EHEERN COc1ccccc1NN=C(C(=O)c1ccccc1)N1CCCCC1 ZINC000020274890 212115655 /nfs/dbraw/zinc/11/56/55/212115655.db2.gz AOUQRJBOJXIEOS-LSDHQDQOSA-N 0 0 337.423 3.789 10 30 EHEERN C[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1Br ZINC000007651545 210825887 /nfs/dbraw/zinc/82/58/87/210825887.db2.gz DYCGRFPLKIJEGU-LLVKDONJSA-N 0 0 329.197 3.812 10 30 EHEERN C#CCOc1cc(OC(=O)N2CCCCC2)c(Cl)cc1Cl ZINC000005112404 210391433 /nfs/dbraw/zinc/39/14/33/210391433.db2.gz XWGKVWPESLAFQV-UHFFFAOYSA-N 0 0 328.195 3.990 10 30 EHEERN CC1CCN(S(=O)(=O)c2ccc(/N=C/c3ccccc3)cc2)CC1 ZINC000100040184 521030447 /nfs/dbraw/zinc/03/04/47/521030447.db2.gz HOWUYLKDEPROIW-HMMYKYKNSA-N 0 0 342.464 3.858 10 30 EHEERN C=CCNC(=O)c1csc(-c2ccc(OCC(C)C)c(OC)c2)n1 ZINC000034712621 563451144 /nfs/dbraw/zinc/45/11/44/563451144.db2.gz AVHWNEQVQSXPLZ-UHFFFAOYSA-N 0 0 346.452 3.769 10 30 EHEERN Oc1ccccc1C(=NCc1ccccc1)c1n[nH]nc1C(F)(F)F ZINC000016956910 563827255 /nfs/dbraw/zinc/82/72/55/563827255.db2.gz LYGSXWCXXFLADJ-STZFKDTASA-N 0 0 346.312 3.567 10 30 EHEERN Cc1nc2c(s1)CCC[C@H]2CN(C)C([O-])=[NH+]c1nc(C)c(C)o1 ZINC000328646164 564137138 /nfs/dbraw/zinc/13/71/38/564137138.db2.gz ZZHRKCCWXXCGNL-LBPRGKRZSA-N 0 0 334.445 3.654 10 30 EHEERN C[C@H](N[C@H](c1nccn1C)c1cccc(F)c1)c1ccc(C#N)s1 ZINC000134719781 1015755896 /nfs/dbraw/zinc/75/58/96/1015755896.db2.gz QNBZRWQSBIGJCG-SJCJKPOMSA-N 0 0 340.427 3.933 10 30 EHEERN CCOCc1cc(/C=C\C(=O)c2cc(O)ccc2OC)ccc1OC ZINC000588409752 1020838992 /nfs/dbraw/zinc/83/89/92/1020838992.db2.gz WQUJBEBOGNZFEJ-YVMONPNESA-N 0 0 342.391 3.842 10 30 EHEERN COC(=O)COc1ccc(C(=O)/C=C\c2cccc3cnccc23)cc1 ZINC000588423230 1021394607 /nfs/dbraw/zinc/39/46/07/1021394607.db2.gz REFNETWBQHBMJQ-YFHOEESVSA-N 0 0 347.370 3.683 10 30 EHEERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)[C@@H]1Cc2ccccc2S1 ZINC000328642644 1022453104 /nfs/dbraw/zinc/45/31/04/1022453104.db2.gz DYFLSIFHMRDBQR-RYQLBKOJSA-N 0 0 340.448 3.975 10 30 EHEERN O=C(CCC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1)NC1CCCC1 ZINC000328643416 1022453118 /nfs/dbraw/zinc/45/31/18/1022453118.db2.gz FIMWDCAMNOTEOX-QFBILLFUSA-N 0 0 345.443 3.938 10 30 EHEERN CC(C)(C)[C@@H](NC(=O)CN1CCC[C@H]2C(=O)NC[C@H]21)c1cccs1 ZINC000328688682 1022468937 /nfs/dbraw/zinc/46/89/37/1022468937.db2.gz BDGNZWQNTCYXLB-IOASZLSFSA-N 0 0 349.500 3.843 10 30 EHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@@H]1CC(=O)Nc2ccccc21 ZINC000328738139 1022476695 /nfs/dbraw/zinc/47/66/95/1022476695.db2.gz KPORODWSJNXNFP-TZMCWYRMSA-N 0 0 327.384 3.760 10 30 EHEERN CCS[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000328726864 1022488488 /nfs/dbraw/zinc/48/84/88/1022488488.db2.gz ZXNPSJHESGBMLC-MJBXVCDLSA-N 0 0 339.505 3.596 10 30 EHEERN CCN(C(=O)N[C@@H]1CCO[C@@H]1C1CC1)[C@@H](C)c1cccc(OC)c1 ZINC000328828655 1022506081 /nfs/dbraw/zinc/50/60/81/1022506081.db2.gz IYPWFHZWKKTQRS-MORSLUCNSA-N 0 0 332.444 3.560 10 30 EHEERN Cc1ccccc1[C@@H]1CCCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000328848325 1022513531 /nfs/dbraw/zinc/51/35/31/1022513531.db2.gz AYVOXBSWBQGSCF-AOIWGVFYSA-N 0 0 341.455 3.943 10 30 EHEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC2(CCC2)[C@H]1C1CC1 ZINC000329661005 1024017714 /nfs/dbraw/zinc/01/77/14/1024017714.db2.gz OIHSKYZXGZTMQJ-FVQBIDKESA-N 0 0 333.476 3.699 10 30 EHEERN O=C(N[C@H]1CCCCC12CCCC2)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000329749252 1024172913 /nfs/dbraw/zinc/17/29/13/1024172913.db2.gz UCVBKMQXBWJBKP-CABCVRRESA-N 0 0 339.501 3.661 10 30 EHEERN CC(=O)N[C@@H]1CCCN(C(=O)N[C@H]2C[C@H](c3ccccc3C)C2)C1 ZINC000329782583 1024192677 /nfs/dbraw/zinc/19/26/77/1024192677.db2.gz ULVUWECJLXMKAO-BRWVUGGUSA-N 0 0 329.444 3.596 10 30 EHEERN O=C(NC[C@@H]1C[C@H](F)CN1c1cccnn1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000329992175 1024278607 /nfs/dbraw/zinc/27/86/07/1024278607.db2.gz XKOAVBJZKDWQQA-MWDXBVQZSA-N 0 0 346.450 3.566 10 30 EHEERN C[C@@H]1CCC[C@H](C(=O)NC[C@H]2CC[C@@H](c3nc(C4CC4)no3)O2)C1 ZINC000329092644 1025598033 /nfs/dbraw/zinc/59/80/33/1025598033.db2.gz AGZKKSKBSALKEV-BEAPCOKYSA-N 0 0 333.432 3.950 10 30 EHEERN CC(C)(C#N)c1ccc(NC(=O)N2CC[C@@H]3OCCC[C@@H]3C2)cc1 ZINC000121606886 1025610068 /nfs/dbraw/zinc/61/00/68/1025610068.db2.gz COLGDQZSUYXLPC-PBHICJAKSA-N 0 0 327.428 3.521 10 30 EHEERN C[C@@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1ccc2ccccc2c1 ZINC000329233938 1025682948 /nfs/dbraw/zinc/68/29/48/1025682948.db2.gz MILMUILUTGUBOY-FSPWUOQZSA-N 0 0 337.423 3.866 10 30 EHEERN C[C@H](NC(=O)C[C@H]1CCCCNC1=O)c1ccc2c(c1)CC(=O)N2 ZINC000329260072 1025704524 /nfs/dbraw/zinc/70/45/24/1025704524.db2.gz YTWUHYNUDIMARV-WCQYABFASA-N 0 0 329.400 3.995 10 30 EHEERN N#C[C@@H]1CN(C(=O)[C@@H]2CCCc3c(O)cccc32)C[C@H]1c1ccccc1 ZINC000329417848 1025824070 /nfs/dbraw/zinc/82/40/70/1025824070.db2.gz DNAZCUOHLVNUBX-AHRSYUTCSA-N 0 0 346.430 3.578 10 30 EHEERN C#CCOc1ccccc1NC(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588513613 1025892977 /nfs/dbraw/zinc/89/29/77/1025892977.db2.gz FMHBOVQKVWOMMU-YPKPFQOOSA-N 0 0 336.347 3.649 10 30 EHEERN C[C@H](CC1CC1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000329556576 1025996385 /nfs/dbraw/zinc/99/63/85/1025996385.db2.gz BSQDPWXBMNLLBG-XBVQOTNRSA-N 0 0 328.460 3.759 10 30 EHEERN Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C\c1c(Cl)cnn1C ZINC000588534826 1026784886 /nfs/dbraw/zinc/78/48/86/1026784886.db2.gz NBUHJVZHEIDCQJ-KTKRTIGZSA-N 0 0 340.814 3.772 10 30 EHEERN COc1cccc2c1OC/C(=C\c1nccn1-c1ccccc1)C2=O ZINC000588579286 1030144676 /nfs/dbraw/zinc/14/46/76/1030144676.db2.gz NCENYXBVUWZYST-WYMLVPIESA-N 0 0 332.359 3.540 10 30 EHEERN Cc1ccc([C@H]2CN(Cc3ccc(N(C)CCC#N)cc3)CCO2)o1 ZINC000093864968 1030686891 /nfs/dbraw/zinc/68/68/91/1030686891.db2.gz MRNPHYQPAYMWGS-HXUWFJFHSA-N 0 0 339.439 3.511 10 30 EHEERN N#C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000332971084 1032021068 /nfs/dbraw/zinc/02/10/68/1032021068.db2.gz AQRLLAHBUIFYGQ-RUGGUXRKSA-N 0 0 337.467 3.904 10 30 EHEERN C=CCOc1cccc(CN2CCn3c(C(C)C)nnc3[C@@H]2C)c1 ZINC000188453872 1035938646 /nfs/dbraw/zinc/93/86/46/1035938646.db2.gz DDWAJSIFZCWHMT-HNNXBMFYSA-N 0 0 326.444 3.543 10 30 EHEERN C[C@@H]1CC[C@H](C)N1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000150950370 1039592546 /nfs/dbraw/zinc/59/25/46/1039592546.db2.gz BGELCFZAWZRKDV-BXXOZEPKSA-N 0 0 341.455 3.831 10 30 EHEERN CC(C)c1csc([C@@H]2CCCN(C(=O)N[C@H]3CCC[C@H]3C#N)C2)n1 ZINC000332885525 1040160961 /nfs/dbraw/zinc/16/09/61/1040160961.db2.gz FZLUEMWCNJNYNP-ZNMIVQPWSA-N 0 0 346.500 3.848 10 30 EHEERN N#C[C@H]1CCC[C@H]1NC(=O)N1CC2(CCCC2)c2c1cccc2F ZINC000332899274 1040179327 /nfs/dbraw/zinc/17/93/27/1040179327.db2.gz NVDGALSRMQVESF-UKRRQHHQSA-N 0 0 327.403 3.859 10 30 EHEERN N#Cc1ccsc1C(=O)N1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000190285327 1042552984 /nfs/dbraw/zinc/55/29/84/1042552984.db2.gz AGIGWOJUQYRMCG-LBPRGKRZSA-N 0 0 332.375 3.918 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)NCCOC2CCCCC2)cs1 ZINC000330263651 1042692771 /nfs/dbraw/zinc/69/27/71/1042692771.db2.gz WUWMUTYKAHMRCR-INIZCTEOSA-N 0 0 337.489 3.852 10 30 EHEERN Cc1c(Br)ccc(NC(=O)N[C@H]2CCC[C@@H]2C#N)c1F ZINC000408392328 1044748139 /nfs/dbraw/zinc/74/81/39/1044748139.db2.gz HPZYWDYNQRHING-KOLCDFICSA-N 0 0 340.196 3.710 10 30 EHEERN CC(=O)N1CC[C@@H](Nc2ccc(C#N)cc2F)c2ccc(F)cc2C1 ZINC000302205402 1128625912 /nfs/dbraw/zinc/62/59/12/1128625912.db2.gz VWAXQRWMPQNBMA-GOSISDBHSA-N 0 0 341.361 3.742 10 30 EHEERN C#Cc1cccc(N(C)C(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)c1 ZINC000103031233 1132610533 /nfs/dbraw/zinc/61/05/33/1132610533.db2.gz AYGGZKFGEMYLHT-AUUYWEPGSA-N 0 0 332.403 3.539 10 30 EHEERN C=CCN(CC(F)(F)F)C(=O)Cc1ccccc1C(F)(F)F ZINC000104339856 1137878266 /nfs/dbraw/zinc/87/82/66/1137878266.db2.gz BODIBLPXAWCSNL-UHFFFAOYSA-N 0 0 325.252 3.825 10 30 EHEERN N#Cc1c(F)cccc1NCC1(c2cccc(F)c2)CCOCC1 ZINC000054981711 214262453 /nfs/dbraw/zinc/26/24/53/214262453.db2.gz BREYJPLJCOVXAT-UHFFFAOYSA-N 0 0 328.362 3.997 10 30 EHEERN C=CCN(Cc1ccco1)Cc1cnc(NCc2ccccc2)nc1 ZINC000055252513 214295398 /nfs/dbraw/zinc/29/53/98/214295398.db2.gz WHOMUXZMNBZNDU-UHFFFAOYSA-N 0 0 334.423 3.870 10 30 EHEERN Cc1ccsc1/C=N/c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000100109571 219091838 /nfs/dbraw/zinc/09/18/38/219091838.db2.gz NCCZKDYQUOJPQB-QGOAFFKASA-N 0 0 348.493 3.982 10 30 EHEERN N#Cc1ccccc1Cn1c2ccccc2nc1N[C@H]1CC[C@H](O)CC1 ZINC000100279952 219096074 /nfs/dbraw/zinc/09/60/74/219096074.db2.gz XFMJCUDTWOWZBR-HDICACEKSA-N 0 0 346.434 3.672 10 30 EHEERN CC1(C)CC(=O)C2=C(C1)O[C@H](N)[C@H](C#N)[C@@H]2c1ccc(Cl)cc1 ZINC000100485474 219100731 /nfs/dbraw/zinc/10/07/31/219100731.db2.gz NKHUOXFBSWIKHX-PVUWLOKVSA-N 0 0 330.815 3.522 10 30 EHEERN Cc1nc(-c2cc(-c3ccc(C(F)(F)F)cc3)nc(N)c2C#N)c[nH]1 ZINC000067713937 215194115 /nfs/dbraw/zinc/19/41/15/215194115.db2.gz MDZASBNRAJCMPY-UHFFFAOYSA-N 0 0 343.312 3.920 10 30 EHEERN C=CCNc1ncnc(NN(c2ccccc2)c2ccccc2)c1N ZINC000040708955 213373674 /nfs/dbraw/zinc/37/36/74/213373674.db2.gz HNUALQVQYOHKPC-UHFFFAOYSA-N 0 0 332.411 3.822 10 30 EHEERN CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(COC(=O)C1)O2 ZINC000252506441 290999561 /nfs/dbraw/zinc/99/95/61/290999561.db2.gz SXOVHHHRXOYVGV-BTHPGYMESA-N 0 0 332.440 3.583 10 30 biogenic EHEERN CC(N=Nc1nncc2ccccc21)c1ccc(-n2ccnc2)cc1 ZINC000038177078 213205488 /nfs/dbraw/zinc/20/54/88/213205488.db2.gz KTIFVAXAKJXHBR-HMAPJEAMSA-N 0 0 328.379 3.652 10 30 EHEERN C=C(C)C(=O)NCCc1nc2ccccc2n1Cc1ccccc1C ZINC000035144461 213010854 /nfs/dbraw/zinc/01/08/54/213010854.db2.gz GSKQMSURPIUCGI-UHFFFAOYSA-N 0 0 333.435 3.628 10 30 EHEERN Cc1ccc2nc(NCCNC(=O)c3ccccc3C)c(C#N)cc2c1 ZINC000020150321 212106816 /nfs/dbraw/zinc/10/68/16/212106816.db2.gz QOFRLDQPNRFKBD-UHFFFAOYSA-N 0 0 344.418 3.565 10 30 EHEERN C/C(=N\O)c1ccccc1NC(=O)Cc1ccc(Br)cc1 ZINC000019437223 212028070 /nfs/dbraw/zinc/02/80/70/212028070.db2.gz BVBSGFKFAGXPGK-YBFXNURJSA-N 0 0 347.212 3.829 10 30 EHEERN C/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1/N=C/c1cccs1 ZINC000012603058 211421934 /nfs/dbraw/zinc/42/19/34/211421934.db2.gz GDZVVVHPRWJFED-BULSJCKZSA-N 0 0 344.421 3.599 10 30 EHEERN Cn1c2c(nc1[C@@H]1CCCN1c1ncc(C#N)cc1Cl)CCCC2 ZINC000275687069 564009711 /nfs/dbraw/zinc/00/97/11/564009711.db2.gz QNUKYBBXGNLPCZ-INIZCTEOSA-N 0 0 341.846 3.560 10 30 EHEERN N#Cc1cc(F)ccc1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000151075047 1019082498 /nfs/dbraw/zinc/08/24/98/1019082498.db2.gz HFZCPOJJXDDAID-UHFFFAOYSA-N 0 0 344.415 3.549 10 30 EHEERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3cccc(C#N)c3)C2)cc1 ZINC000120799372 1022205381 /nfs/dbraw/zinc/20/53/81/1022205381.db2.gz YMEOBANKYXYTKE-WMLDXEAASA-N 0 0 335.407 3.977 10 30 EHEERN CC(C)Cn1cc(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)cn1 ZINC000329831850 1033053995 /nfs/dbraw/zinc/05/39/95/1033053995.db2.gz SXSODONZOZHINU-QFBILLFUSA-N 0 0 325.412 3.868 10 30 EHEERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@@H](C)c1cc(C)cc(C)c1)CCC2 ZINC000328648919 1022453203 /nfs/dbraw/zinc/45/32/03/1022453203.db2.gz IJGPAXZUAMZICE-DLBZAZTESA-N 0 0 340.471 3.951 10 30 EHEERN CCc1nc(C)c(NC(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)s1 ZINC000328664643 1022458569 /nfs/dbraw/zinc/45/85/69/1022458569.db2.gz YPIADAJCXJMCSF-DZGCQCFKSA-N 0 0 346.456 3.655 10 30 EHEERN Cc1ccc(C)c(NC(=O)[C@@H](C)N2CCC[C@@H](n3cccn3)C2)c1 ZINC000328696088 1022470322 /nfs/dbraw/zinc/47/03/22/1022470322.db2.gz KSLHFHXLPYSUNN-IAGOWNOFSA-N 0 0 326.444 3.814 10 30 EHEERN Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC[C@H](n3cccn3)C2)c1 ZINC000328696089 1022470849 /nfs/dbraw/zinc/47/08/49/1022470849.db2.gz KSLHFHXLPYSUNN-IRXDYDNUSA-N 0 0 326.444 3.814 10 30 EHEERN Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](n3cccn3)C2)cc1F ZINC000328715525 1022476425 /nfs/dbraw/zinc/47/64/25/1022476425.db2.gz SWYAOZFHYVSUEH-GDBMZVCRSA-N 0 0 330.407 3.644 10 30 EHEERN Cc1ccc(C[C@H](C)N(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)cc1 ZINC000328849597 1022514799 /nfs/dbraw/zinc/51/47/99/1022514799.db2.gz BHVBIHQITSQSDG-YJLNNSPDSA-N 0 0 343.471 3.669 10 30 EHEERN Cc1ccc([C@H](C)N(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)cc1 ZINC000328887407 1022527677 /nfs/dbraw/zinc/52/76/77/1022527677.db2.gz PKLQPDMECUXBHB-XCRHUMRWSA-N 0 0 329.444 3.799 10 30 EHEERN CCCc1c(NC(=O)N2C[C@@H]3CCC[C@H]32)cnn1-c1cccc(F)c1 ZINC000329751310 1024178302 /nfs/dbraw/zinc/17/83/02/1024178302.db2.gz IUCAPNQPLZNMMY-SUMWQHHRSA-N 0 0 342.418 3.994 10 30 EHEERN Cc1cc(Cl)cnc1NC(=O)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000329768211 1024185040 /nfs/dbraw/zinc/18/50/40/1024185040.db2.gz GHKHUUHYMXOABB-KGLIPLIRSA-N 0 0 335.835 3.622 10 30 EHEERN CC(C)n1cnnc1-c1ccccc1NC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000329973290 1024273074 /nfs/dbraw/zinc/27/30/74/1024273074.db2.gz WTFMQBBDTFQUST-XJKSGUPXSA-N 0 0 325.416 3.556 10 30 EHEERN C[C@@H]1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)CC(C)(C)C1 ZINC000329980311 1024274698 /nfs/dbraw/zinc/27/46/98/1024274698.db2.gz LCBXCSCICRIGKP-WCVJEAGWSA-N 0 0 348.466 3.812 10 30 EHEERN C[C@@H]1C(=O)NCCCN1CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000329992975 1024279548 /nfs/dbraw/zinc/27/95/48/1024279548.db2.gz YBJAXNPNJLHUOB-MRXNPFEDSA-N 0 0 343.471 3.506 10 30 EHEERN C[C@H](Cc1nc2ccccc2s1)NC(=O)[C@]1(C)CCCNC1=O ZINC000330265841 1024377024 /nfs/dbraw/zinc/37/70/24/1024377024.db2.gz ZUOXYFSLRZRCLK-PIGZYNQJSA-N 0 0 331.441 3.940 10 30 EHEERN Cn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)[C@@H]1CCCc2sccc21 ZINC000330329096 1024788214 /nfs/dbraw/zinc/78/82/14/1024788214.db2.gz MGNBEAHEUZKPIL-YCPHGPKFSA-N 0 0 345.468 3.778 10 30 EHEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000329032049 1025573694 /nfs/dbraw/zinc/57/36/94/1025573694.db2.gz LQKWGGNSPHBRFM-IXDOHACOSA-N 0 0 343.402 3.671 10 30 EHEERN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCc2ccccc21 ZINC000329040017 1025577576 /nfs/dbraw/zinc/57/75/76/1025577576.db2.gz SLXFLYOPNQVYPE-KVSKMBFKSA-N 0 0 339.439 3.574 10 30 EHEERN Cc1noc([C@@H]2CCN(C(=O)N[C@@H]3CC[C@@H](C)c4ccccc43)C2)n1 ZINC000329085392 1025594768 /nfs/dbraw/zinc/59/47/68/1025594768.db2.gz UGHJZBNQVRSDDI-SUYBPPKGSA-N 0 0 340.427 3.720 10 30 EHEERN C[C@]1(NC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)CCCOC1 ZINC000329108185 1025605296 /nfs/dbraw/zinc/60/52/96/1025605296.db2.gz FFXKNPUGYSFQBG-LPHOPBHVSA-N 0 0 344.455 3.896 10 30 EHEERN CC1(C)CCc2ccccc2[C@H]1NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329262793 1025704592 /nfs/dbraw/zinc/70/45/92/1025704592.db2.gz BMEVHSBFFSGUNE-BRWVUGGUSA-N 0 0 341.455 3.665 10 30 EHEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@@H]1CCCc2occc21 ZINC000329266700 1025705296 /nfs/dbraw/zinc/70/52/96/1025705296.db2.gz HNTRCOWILDODPF-XJKCOSOUSA-N 0 0 333.432 3.694 10 30 EHEERN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)C[C@H]2CCC[C@@H](C)C2)C1 ZINC000329556796 1025996673 /nfs/dbraw/zinc/99/66/73/1025996673.db2.gz QJLILGOHFJBNCP-VNQPRFMTSA-N 0 0 346.475 3.940 10 30 EHEERN CCCCCCCC(=O)N[C@H](c1nccn1C)c1ccc(OC)cc1 ZINC000248299148 1028864465 /nfs/dbraw/zinc/86/44/65/1028864465.db2.gz ZEURQMBBLVTYEC-IBGZPJMESA-N 0 0 343.471 3.995 10 30 EHEERN C[C@H](C#N)Oc1ccccc1NC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000248408767 1028893817 /nfs/dbraw/zinc/89/38/17/1028893817.db2.gz FKIWQPDVBPTFHW-LONLNUGOSA-N 0 0 347.418 3.827 10 30 EHEERN C=CCCCCCN(C)C(=O)NC1CCN(c2cccc(C)n2)CC1 ZINC000154351077 1029116001 /nfs/dbraw/zinc/11/60/01/1029116001.db2.gz DAOQHVLOWKFNDR-UHFFFAOYSA-N 0 0 344.503 3.747 10 30 EHEERN N#CCC[C@H](C#N)CN1CCC[C@H](c2nc(-c3ccccc3)c[nH]2)C1 ZINC000252692400 1029226648 /nfs/dbraw/zinc/22/66/48/1029226648.db2.gz BHDNWEGHSDJSRC-AEFFLSMTSA-N 0 0 333.439 3.700 10 30 EHEERN C=CCCCCCN(C)C(=O)NCC[C@H]1c2ccccc2NC1=O ZINC000172468391 1030946813 /nfs/dbraw/zinc/94/68/13/1030946813.db2.gz MUCRHIOISRJYBC-INIZCTEOSA-N 0 0 329.444 3.500 10 30 EHEERN O=C(N[C@@H]1CCOc2ccccc21)N1CCO[C@H](C2CCCCC2)C1 ZINC000329665311 1031681648 /nfs/dbraw/zinc/68/16/48/1031681648.db2.gz KJQRKEOBBOXLLP-MJGOQNOKSA-N 0 0 344.455 3.705 10 30 EHEERN Cc1cc2c(cc1C)C(=O)/C(=C/c1ccc3c(c1)NC(=O)CO3)CCO2 ZINC000588615555 1033303046 /nfs/dbraw/zinc/30/30/46/1033303046.db2.gz PMZMOPCKSGEEQQ-OQLLNIDSSA-N 0 0 349.386 3.683 10 30 EHEERN C#CCOc1ccc([C@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000186538238 1035657520 /nfs/dbraw/zinc/65/75/20/1035657520.db2.gz GSDWQTISFRPNMK-AWEZNQCLSA-N 0 0 335.407 3.849 10 30 EHEERN C#Cc1cccc(NC(=O)N[C@H](c2ccccc2)c2ccncc2)c1 ZINC000103315095 1037588354 /nfs/dbraw/zinc/58/83/54/1037588354.db2.gz WPVCRBOHACJDQP-HXUWFJFHSA-N 0 0 327.387 3.974 10 30 EHEERN C[C@H](NC(=O)N[C@@H]1CCCc2sc(Cl)cc21)[C@@H]1CCCO1 ZINC000330193748 1038492903 /nfs/dbraw/zinc/49/29/03/1038492903.db2.gz YSVNKKVRGGANTL-WCQGTBRESA-N 0 0 328.865 3.850 10 30 EHEERN Cc1cc(F)c(Br)cc1NC(=O)N[C@H]1CCC[C@H]1C#N ZINC000408305012 1042999591 /nfs/dbraw/zinc/99/95/91/1042999591.db2.gz GHIXDPHBUIYEQH-CABZTGNLSA-N 0 0 340.196 3.710 10 30 EHEERN C=CCN(CC(F)(F)F)C(=O)Cc1ccccc1Br ZINC000103770608 1137876877 /nfs/dbraw/zinc/87/68/77/1137876877.db2.gz MYUWGELVWSLMKB-UHFFFAOYSA-N 0 0 336.151 3.569 10 30 EHEERN C=CCc1ccccc1OCCn1c(CO)nc2cc(C)c(C)cc21 ZINC000040308938 213291002 /nfs/dbraw/zinc/29/10/02/213291002.db2.gz MGKCOLVICWCZAX-UHFFFAOYSA-N 0 0 336.435 3.953 10 30 EHEERN C=C(C)C(=O)NCc1nc2ccccc2n1Cc1ccc(Cl)cc1 ZINC000040194187 213280301 /nfs/dbraw/zinc/28/03/01/213280301.db2.gz ILYZKLCWFPAKGR-UHFFFAOYSA-N 0 0 339.826 3.930 10 30 EHEERN CC(=O)COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccccc13)C2=O ZINC000028182522 212602164 /nfs/dbraw/zinc/60/21/64/212602164.db2.gz BOWNFKJYBMPTIW-UKWGHVSLSA-N 0 0 347.370 3.762 10 30 EHEERN N#Cc1nnc2c(-c3ccccc3)cnn2c1/C=C/c1ccc(F)cc1 ZINC000072448738 216239123 /nfs/dbraw/zinc/23/91/23/216239123.db2.gz WWUANQRTSBZZRK-DHZHZOJOSA-N 0 0 341.349 3.972 10 30 EHEERN O=[N+]([O-])c1ccc(N=NC2CCCc3ccccc32)c([N+](=O)[O-])c1 ZINC000012403727 211369325 /nfs/dbraw/zinc/36/93/25/211369325.db2.gz CZTQUALVXAKOOI-SAPNQHFASA-N 0 0 326.312 3.656 10 30 EHEERN FC(F)(F)C(F)(F)C(F)(F)C1=NCCN1Cc1ccccc1 ZINC000095930695 218450553 /nfs/dbraw/zinc/45/05/53/218450553.db2.gz QTZAKXBSUHSCJY-UHFFFAOYSA-N 0 0 328.231 3.734 10 30 EHEERN COc1ccc([C@@H](C)NC(=O)Nc2ccc(F)cc2C#N)cc1OC ZINC000097473171 219027737 /nfs/dbraw/zinc/02/77/37/219027737.db2.gz FFGPOQORKJQJRN-LLVKDONJSA-N 0 0 343.358 3.597 10 30 EHEERN Cc1nc2c(cccc2C(=O)N(C)c2cc(Cl)ccc2C#N)o1 ZINC000348350820 257930716 /nfs/dbraw/zinc/93/07/16/257930716.db2.gz PCJLZPIWMCBWNN-UHFFFAOYSA-N 0 0 325.755 3.938 10 30 EHEERN Cc1snc(SCc2nnc(COc3ccccc3)o2)c1C#N ZINC000001387914 564064278 /nfs/dbraw/zinc/06/42/78/564064278.db2.gz PERFPKULARADPZ-UHFFFAOYSA-N 0 0 344.421 3.578 10 30 EHEERN O=C1[C@H](/N=C\c2c(O)ccc3ccccc32)CCCN1c1cccnc1 ZINC000588424970 1021491500 /nfs/dbraw/zinc/49/15/00/1021491500.db2.gz KFSOTMILLMQCRF-JVMBGAFUSA-N 0 0 345.402 3.555 10 30 EHEERN CCCCCCCCC(=O)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000164682249 1021832941 /nfs/dbraw/zinc/83/29/41/1021832941.db2.gz SFLGPFWYIHMLCS-WMZOPIPTSA-N 0 0 334.504 3.739 10 30 EHEERN Cc1nc([C@H](C)NC(=O)c2nnn(CC3CCCC3)c2C)cs1 ZINC000329829549 1033009792 /nfs/dbraw/zinc/00/97/92/1033009792.db2.gz DSOUIBQIENAPQO-JTQLQIEISA-N 0 0 333.461 3.607 10 30 EHEERN C[C@@H]1C(=O)NCCCN1C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000328617111 1022449658 /nfs/dbraw/zinc/44/96/58/1022449658.db2.gz TWQPJPOQKNAWSH-JEBQAFNWSA-N 0 0 337.423 3.660 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N(C)[C@@H](C)c1cccs1)CCC2 ZINC000328660594 1022455289 /nfs/dbraw/zinc/45/52/89/1022455289.db2.gz VQGUVBSKQIGQMS-KBPBESRZSA-N 0 0 332.473 3.737 10 30 EHEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1C#N ZINC000588440113 1022455251 /nfs/dbraw/zinc/45/52/51/1022455251.db2.gz FWGQMBRFCGDABD-FLIBITNWSA-N 0 0 325.299 3.648 10 30 EHEERN O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1scnc1C1CC1 ZINC000328660262 1022456184 /nfs/dbraw/zinc/45/61/84/1022456184.db2.gz VBWYJIPPBHLWIY-DZGCQCFKSA-N 0 0 329.425 3.640 10 30 EHEERN Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](n3cccn3)C2)c(F)c1 ZINC000328681653 1022465852 /nfs/dbraw/zinc/46/58/52/1022465852.db2.gz CPHCNUTWSJBNOT-LSDHHAIUSA-N 0 0 330.407 3.644 10 30 EHEERN CC1(C)c2cc(C(=O)N[C@@H]3CCC(=O)NC34CCC4)ccc2NC1=O ZINC000328714522 1022474185 /nfs/dbraw/zinc/47/41/85/1022474185.db2.gz CJSNIBKEWVBEPV-CQSZACIVSA-N 0 0 341.411 3.912 10 30 EHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000328740482 1022479112 /nfs/dbraw/zinc/47/91/12/1022479112.db2.gz LTGFMUZTBNUWAS-SWLSCSKDSA-N 0 0 348.830 3.889 10 30 EHEERN C[C@@H]1Cc2ccccc2N1CCNC(=O)C[C@@H]1CCCCNC1=O ZINC000328779790 1022498493 /nfs/dbraw/zinc/49/84/93/1022498493.db2.gz MFHDJMJFRXQGKD-ZBFHGGJFSA-N 0 0 329.444 3.541 10 30 EHEERN N#Cc1ccccc1/C=C\C(=O)NCc1nc2ccccc2n1C1CC1 ZINC000588455041 1023065583 /nfs/dbraw/zinc/06/55/83/1023065583.db2.gz MENWDTTUNZMOFY-XFXZXTDPSA-N 0 0 342.402 3.572 10 30 EHEERN C=CCOc1ccc(/C=C\C(=O)OCC(C)(C)CC#N)cc1OC ZINC000588467351 1023370476 /nfs/dbraw/zinc/37/04/76/1023370476.db2.gz NUAIAHFDRJKLKH-CLFYSBASSA-N 0 0 329.396 3.756 10 30 EHEERN Cc1nc([C@@H]2CCCN(C(=O)NCc3nccs3)C2)sc1C ZINC000329755149 1024181129 /nfs/dbraw/zinc/18/11/29/1024181129.db2.gz XUQHTLXPQZXECS-GFCCVEGCSA-N 0 0 336.486 3.510 10 30 EHEERN CC1(C)CCc2ccccc2[C@H]1NC(=O)c1cc2n(n1)CCCO2 ZINC000329913212 1024246955 /nfs/dbraw/zinc/24/69/55/1024246955.db2.gz XFDDQEHACGKILF-QGZVFWFLSA-N 0 0 325.412 3.684 10 30 EHEERN O=C(Nc1cccc(OCc2cscn2)c1)N1C[C@H]2CCC[C@@H]21 ZINC000329936729 1024256876 /nfs/dbraw/zinc/25/68/76/1024256876.db2.gz RRPLPBAWFWPPFZ-WBMJQRKESA-N 0 0 329.425 3.752 10 30 EHEERN O=C(N[C@H]1CSc2ccccc21)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330076479 1024311220 /nfs/dbraw/zinc/31/12/20/1024311220.db2.gz DTGJUFCILMXDTF-YQQAZPJKSA-N 0 0 326.421 3.963 10 30 EHEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000329032048 1025574634 /nfs/dbraw/zinc/57/46/34/1025574634.db2.gz LQKWGGNSPHBRFM-BRWVUGGUSA-N 0 0 343.402 3.671 10 30 EHEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCCC(F)(F)C1 ZINC000329193917 1025656873 /nfs/dbraw/zinc/65/68/73/1025656873.db2.gz UJKBYQOQDLDKHO-BFHYXJOUSA-N 0 0 341.402 3.670 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NCC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000333559367 1027303565 /nfs/dbraw/zinc/30/35/65/1027303565.db2.gz GUKPJCBRPNXIMO-ZJOUEHCJSA-N 0 0 339.483 3.706 10 30 EHEERN Cc1cnc([C@H](C)NC(=O)N2CCC[C@H](c3nc(C)c(C)s3)C2)o1 ZINC000329287534 1030280285 /nfs/dbraw/zinc/28/02/85/1030280285.db2.gz PEDJICGNKAMPST-JSGCOSHPSA-N 0 0 348.472 3.911 10 30 EHEERN CN(CC1CCCC1)C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329298401 1030333360 /nfs/dbraw/zinc/33/33/60/1030333360.db2.gz UJFXCBJJWQCTJC-HNNXBMFYSA-N 0 0 332.492 3.531 10 30 EHEERN C[C@@H]1OCC[C@@H]1NC(=O)N[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000329595073 1031260102 /nfs/dbraw/zinc/26/01/02/1031260102.db2.gz OVLAAVKNGKIPRA-OXUWNYNTSA-N 0 0 343.254 3.920 10 30 EHEERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000329628091 1031469286 /nfs/dbraw/zinc/46/92/86/1031469286.db2.gz PQPQBZILTJDJLW-XGUBFFRZSA-N 0 0 348.409 3.816 10 30 EHEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000329643066 1031568957 /nfs/dbraw/zinc/56/89/57/1031568957.db2.gz YPCBVFKHENCNNQ-CRAIPNDOSA-N 0 0 349.438 3.714 10 30 EHEERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000117797901 1031854959 /nfs/dbraw/zinc/85/49/59/1031854959.db2.gz OHQZZRAZKLYBBP-JJXUHFIVSA-N 0 0 334.419 3.582 10 30 EHEERN Cn1c(=O)sc2cc(/C=C\C(=O)c3ccc(F)c(F)c3)ccc21 ZINC000588590230 1031985610 /nfs/dbraw/zinc/98/56/10/1031985610.db2.gz QQXQUHYOQPIXCP-CLTKARDFSA-N 0 0 331.343 3.774 10 30 EHEERN Cc1noc2ncc(NC(=O)[C@H]3C[C@@]34CCOc3ccccc34)cc12 ZINC000329735482 1032034657 /nfs/dbraw/zinc/03/46/57/1032034657.db2.gz SAWPVQTZVDPPKY-DNVCBOLYSA-N 0 0 335.363 3.860 10 30 EHEERN C[C@H](C#N)Oc1ccc(CNc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000187469038 1035827562 /nfs/dbraw/zinc/82/75/62/1035827562.db2.gz HYYHGAMQFCQACB-CYBMUJFWSA-N 0 0 336.395 3.567 10 30 EHEERN CC(C)Oc1ccc(CC(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1 ZINC000189155921 1036022970 /nfs/dbraw/zinc/02/29/70/1036022970.db2.gz VSOYWYFLQDKJED-QFIPXVFZSA-N 0 0 348.446 3.584 10 30 EHEERN C#Cc1cccc(N(CC)C(=O)c2ccc(NC(=O)[C@H]3C[C@@H]3C)cc2)c1 ZINC000103027639 1132608310 /nfs/dbraw/zinc/60/83/10/1132608310.db2.gz YDPFORXEOHGIHX-YWZLYKJASA-N 0 0 346.430 3.929 10 30 EHEERN N#C[C@@]1(c2nc(C3(c4ccccc4)CCOCC3)no2)CC12CCCC2 ZINC000333855677 1138339340 /nfs/dbraw/zinc/33/93/40/1138339340.db2.gz QJILJCFLDQEUEP-OAQYLSRUSA-N 0 0 349.434 3.892 10 30 EHEERN CC(=O)Nc1ccc(/N=C\c2cc(Br)ccc2O)cc1 ZINC000100070203 219089620 /nfs/dbraw/zinc/08/96/20/219089620.db2.gz AFIDGVUBHNFXLX-MFOYZWKCSA-N 0 0 333.185 3.864 10 30 EHEERN CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C ZINC000004213110 210144909 /nfs/dbraw/zinc/14/49/09/210144909.db2.gz VDNZZIYSCXESNI-ILSZZQPISA-N 0 0 342.479 3.716 10 30 in-man EHEERN O=[N+]([O-])c1ccc(-c2csc(N=NCc3cccnc3)n2)cc1 ZINC000004186670 210141998 /nfs/dbraw/zinc/14/19/98/210141998.db2.gz QAYSLLWROURLTA-RQZCQDPDSA-N 0 0 325.353 3.559 10 30 EHEERN C=C(C)C(=O)NCc1nc2ccccc2n1CCOc1cccc(C)c1 ZINC000040194218 213280653 /nfs/dbraw/zinc/28/06/53/213280653.db2.gz NYXYCLYBPZIRPS-UHFFFAOYSA-N 0 0 349.434 3.616 10 30 EHEERN C/C(=N\O)c1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000019437554 212028733 /nfs/dbraw/zinc/02/87/33/212028733.db2.gz XCYWDJLGSPWQLU-VCHYOVAHSA-N 0 0 333.185 3.900 10 30 EHEERN Cc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)C(C)(C)C)nc12 ZINC000012240679 211327603 /nfs/dbraw/zinc/32/76/03/211327603.db2.gz IYZRYZMXWWEMCI-UHFFFAOYSA-N 0 0 347.422 3.894 10 30 EHEERN C=CCN1C(=S)N=NC1CSc1cc(Cl)c(Cl)cn1 ZINC000006820139 519198349 /nfs/dbraw/zinc/19/83/49/519198349.db2.gz JFVDDBZHQHYCCI-UHFFFAOYSA-N 0 0 333.269 3.747 10 30 EHEERN CCc1ccccc1NC(=O)C(=O)[C@@H](C#N)c1ccccc1Cl ZINC000005667792 563544418 /nfs/dbraw/zinc/54/44/18/563544418.db2.gz PWTHVOHHPCLRNH-AWEZNQCLSA-N 0 0 326.783 3.717 10 30 EHEERN CCN(CC)c1ccc(C=[NH+][N-]c2nnc(SCC(C)C)[nH]2)cc1 ZINC000005927838 563554272 /nfs/dbraw/zinc/55/42/72/563554272.db2.gz GYSOSIYWEADYKT-WOJGMQOQSA-N 0 0 346.504 3.845 10 30 EHEERN CC(C)n1cc(NC(=O)[C@H]2C[C@@]23CCOc2ccc(F)cc23)cn1 ZINC000328606573 564136873 /nfs/dbraw/zinc/13/68/73/564136873.db2.gz SBGXDZHIDKMPDH-CRAIPNDOSA-N 0 0 329.375 3.932 10 30 EHEERN CC(C)c1noc([C@H](NC(=O)[C@@H]2CCCS2)C2CCOCC2)n1 ZINC000328615457 564136938 /nfs/dbraw/zinc/13/69/38/564136938.db2.gz YNDXZYPGRKWWHT-QWHCGFSZSA-N 0 0 339.461 3.513 10 30 EHEERN N#Cc1c(F)cccc1C(=O)N1CCC(Nc2ccccc2F)CC1 ZINC000189886274 1016754076 /nfs/dbraw/zinc/75/40/76/1016754076.db2.gz CKVOFJDTHNGDSV-UHFFFAOYSA-N 0 0 341.361 3.553 10 30 EHEERN C=CCC(CC=C)C(=O)N[C@@H]1CCN(C(C)=O)Cc2cc(F)ccc21 ZINC000185522477 1032438104 /nfs/dbraw/zinc/43/81/04/1032438104.db2.gz JQPSWZOANVJTJA-LJQANCHMSA-N 0 0 344.430 3.504 10 30 EHEERN COc1ccsc1C(=O)/C=C\c1ccc2c(c1)sc(=O)n2C ZINC000588598934 1032451077 /nfs/dbraw/zinc/45/10/77/1032451077.db2.gz KKNSUTAVTPVPSH-XQRVVYSFSA-N 0 0 331.418 3.566 10 30 EHEERN COc1ccc(O)cc1C(=O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000588410402 1020856733 /nfs/dbraw/zinc/85/67/33/1020856733.db2.gz UKWSVPOEEIMZCJ-UTCJRWHESA-N 0 0 333.727 3.859 10 30 EHEERN COc1ccc([C@H]2C[C@H](C)N(C(=O)Nc3cccc(C#N)c3)C2)cc1 ZINC000120799060 1022181318 /nfs/dbraw/zinc/18/13/18/1022181318.db2.gz YMEOBANKYXYTKE-YOEHRIQHSA-N 0 0 335.407 3.977 10 30 EHEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000588438295 1022435829 /nfs/dbraw/zinc/43/58/29/1022435829.db2.gz WTUYMBFYCKZDSF-FLIBITNWSA-N 0 0 325.299 3.648 10 30 EHEERN CCC[C@]1(C)CCCN(C(=O)NC[C@H]2CCCn3cc(C)nc32)C1 ZINC000328660134 1022456127 /nfs/dbraw/zinc/45/61/27/1022456127.db2.gz UWNNVQIAWVUAMT-VQIMIIECSA-N 0 0 332.492 3.885 10 30 EHEERN Cc1ccc(C)c(NC(=O)[C@H](C)N2CCC[C@@H](n3cccn3)C2)c1 ZINC000328696087 1022470160 /nfs/dbraw/zinc/47/01/60/1022470160.db2.gz KSLHFHXLPYSUNN-DLBZAZTESA-N 0 0 326.444 3.814 10 30 EHEERN CC(C)c1ccc2c(c1)[C@H](NC(=O)N(C)[C@H]1CCNC1=O)CCC2 ZINC000328914316 1022544278 /nfs/dbraw/zinc/54/42/78/1022544278.db2.gz ITFUCRQGDSTFOB-SJORKVTESA-N 0 0 329.444 3.762 10 30 EHEERN NC(=O)[C@@H]1CCC[C@H](NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)C1 ZINC000329007848 1023503793 /nfs/dbraw/zinc/50/37/93/1023503793.db2.gz NOSFFDHTJJYVPW-QUHUKJRKSA-N 0 0 328.412 3.777 10 30 EHEERN CCCc1c(NC(=O)N2C[C@@H]3CCC[C@@H]32)cnn1-c1cccc(F)c1 ZINC000329751309 1024177471 /nfs/dbraw/zinc/17/74/71/1024177471.db2.gz IUCAPNQPLZNMMY-GUYCJALGSA-N 0 0 342.418 3.994 10 30 EHEERN Cc1nc([C@H]2CCCN2C(=O)NCC2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000329802964 1024200835 /nfs/dbraw/zinc/20/08/35/1024200835.db2.gz KVWRXVKFIYLTJO-MQIPJXDCSA-N 0 0 337.489 3.706 10 30 EHEERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@]2(CCCCO2)[C@@H]1C#N ZINC000329869556 1024230086 /nfs/dbraw/zinc/23/00/86/1024230086.db2.gz YZIYTQPARAKFSI-VNYTWHDVSA-N 0 0 338.451 3.552 10 30 EHEERN Cc1coc2ccc(NC(=O)[C@@H]3CCO[C@H]3c3ccnn3C)cc12 ZINC000330130558 1024330020 /nfs/dbraw/zinc/33/00/20/1024330020.db2.gz FHZDPFYOJDSZMQ-CXAGYDPISA-N 0 0 325.368 3.841 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)NCC[C@@H]2CCO[C@@H](C)C2)cs1 ZINC000330197752 1024349824 /nfs/dbraw/zinc/34/98/24/1024349824.db2.gz SFNNKRBDFWFHOC-BJJXKVORSA-N 0 0 337.489 3.708 10 30 EHEERN N#C[C@@H]1CN(C(=O)NC[C@@H]2CCC(F)(F)C2)C[C@H]1c1ccccc1 ZINC000330221107 1024361700 /nfs/dbraw/zinc/36/17/00/1024361700.db2.gz QVACSDDAEOWCRB-BMFZPTHFSA-N 0 0 333.382 3.575 10 30 EHEERN C[C@H]1Oc2ccc(NC(=O)C[C@@H]3CCCCC(=O)N3)cc2NC1=O ZINC000329274090 1025713688 /nfs/dbraw/zinc/71/36/88/1025713688.db2.gz KHHXIOFUFXUMMN-MNOVXSKESA-N 0 0 331.372 3.933 10 30 EHEERN Cn1cc([C@H]2CCN(C(=O)NCc3csc4ccccc34)C2)cn1 ZINC000329350246 1025772761 /nfs/dbraw/zinc/77/27/61/1025772761.db2.gz WUHVNXRKVOAXSM-ZDUSSCGKSA-N 0 0 340.452 3.538 10 30 EHEERN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCO[C@@H](c2nccs2)C1 ZINC000329473462 1025899418 /nfs/dbraw/zinc/89/94/18/1025899418.db2.gz ONUSHBUIMRHLLP-ZJIFWQFVSA-N 0 0 349.500 3.789 10 30 EHEERN CC(C)C(=O)N[C@H]1CCCN(C(=O)Nc2cnc3c(c2)CCCC3)C1 ZINC000329486937 1025911340 /nfs/dbraw/zinc/91/13/40/1025911340.db2.gz XPVGQLJQNBDKEM-HNNXBMFYSA-N 0 0 344.459 3.583 10 30 EHEERN C[C@@H]1CC[C@H](NS(=O)(=O)CC2(C#N)CCCC2)c2ccccc21 ZINC000329495055 1025923519 /nfs/dbraw/zinc/92/35/19/1025923519.db2.gz FNFWZUGYPZICTE-PBHICJAKSA-N 0 0 332.469 3.628 10 30 EHEERN O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000329497554 1025926539 /nfs/dbraw/zinc/92/65/39/1025926539.db2.gz XOFIFCKBZCJDCL-JQHSSLGASA-N 0 0 345.487 3.753 10 30 EHEERN Cn1cc(/C=C/C(=O)c2cnc3ccsc3c2)c(-c2ccncc2)n1 ZINC000128468206 1027440575 /nfs/dbraw/zinc/44/05/75/1027440575.db2.gz CCXOFFNDACZQFN-NSCUHMNNSA-N 0 0 346.415 3.988 10 30 EHEERN C=CCC(CC=C)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245718622 1029131396 /nfs/dbraw/zinc/13/13/96/1029131396.db2.gz VMGCYISKKDBYBD-QZTJIDSGSA-N 0 0 334.410 3.595 10 30 EHEERN Cn1cc([C@@H]2CCCN2C(=O)Nc2ccc(C(C)(C)C#N)cc2)cn1 ZINC000171510920 1030786884 /nfs/dbraw/zinc/78/68/84/1030786884.db2.gz VZYBYQJQGPAYFR-KRWDZBQOSA-N 0 0 337.427 3.590 10 30 EHEERN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@@H](C)c2csc(C)n2)C1 ZINC000329661493 1031650820 /nfs/dbraw/zinc/65/08/20/1031650820.db2.gz IRLGREKYWIKKGT-GXTWGEPZSA-N 0 0 347.488 3.523 10 30 EHEERN C[C@@H]1c2ccccc2O[C@@H]1C(=O)Nc1cccc(OCCCC#N)c1 ZINC000117620091 1031780438 /nfs/dbraw/zinc/78/04/38/1031780438.db2.gz YWFBBRONIDGENM-KUHUBIRLSA-N 0 0 336.391 3.872 10 30 EHEERN Cc1cccc2[nH]cc(CCNC(=O)CCc3ccc(C#N)cc3)c21 ZINC000103129152 1036828899 /nfs/dbraw/zinc/82/88/99/1036828899.db2.gz XNQMAUKNLIOVAT-UHFFFAOYSA-N 0 0 331.419 3.640 10 30 EHEERN C[C@@H]1CC[C@@H](C)N1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000150950474 1039592396 /nfs/dbraw/zinc/59/23/96/1039592396.db2.gz BGELCFZAWZRKDV-RCDYEMGKSA-N 0 0 341.455 3.831 10 30 EHEERN CC(C)c1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@@H]2C#N)c(O)c1 ZINC000408409604 1039651072 /nfs/dbraw/zinc/65/10/72/1039651072.db2.gz AGVQTZTUOVJQTF-ICSRJNTNSA-N 0 0 342.439 3.583 10 30 EHEERN CC(C)c1ccc(C(=O)N2CCC[C@@]3(CCCCO3)[C@H]2C#N)c(O)c1 ZINC000408409605 1039651627 /nfs/dbraw/zinc/65/16/27/1039651627.db2.gz AGVQTZTUOVJQTF-QUCCMNQESA-N 0 0 342.439 3.583 10 30 EHEERN CC(C)c1csc([C@@H]2CCCN(C(=O)N[C@H]3CCC[C@@H]3C#N)C2)n1 ZINC000332885521 1040160656 /nfs/dbraw/zinc/16/06/56/1040160656.db2.gz FZLUEMWCNJNYNP-KFWWJZLASA-N 0 0 346.500 3.848 10 30 EHEERN Cc1cc(C)c2ncc(C#N)c(N3CC[C@]4(O)CCCC[C@H]4C3)c2c1 ZINC000301701408 1041848650 /nfs/dbraw/zinc/84/86/50/1041848650.db2.gz FYERLOGSZMBLEL-LAUBAEHRSA-N 0 0 335.451 3.855 10 30 EHEERN O=C(Nc1ccc(-n2cccn2)c(Cl)c1)N1CC[C@@H]2CCC[C@H]21 ZINC000330258723 1042650278 /nfs/dbraw/zinc/65/02/78/1042650278.db2.gz RNKSRVZPCUHQOJ-SWLSCSKDSA-N 0 0 330.819 3.946 10 30 EHEERN CCOc1cc2c(cc1NC(=O)N1CC[C@@H]3CCC[C@H]31)O[C@@H](C)C2 ZINC000330265445 1042738585 /nfs/dbraw/zinc/73/85/85/1042738585.db2.gz ZGURCWVNCGKUQR-HEHGZKQESA-N 0 0 330.428 3.829 10 30 EHEERN O=C(Nc1cc(N2CCCC2=O)ccc1Cl)N1CC[C@H]2CCC[C@H]21 ZINC000330284714 1042814639 /nfs/dbraw/zinc/81/46/39/1042814639.db2.gz XWZIRTRMONKNNG-MLGOLLRUSA-N 0 0 347.846 3.887 10 30 EHEERN COCc1ccc(C(=O)[C@H](C#N)C(=O)Nc2cccc3ccccc32)o1 ZINC000105263270 1042815952 /nfs/dbraw/zinc/81/59/52/1042815952.db2.gz OLFMJOYDDRQZMZ-INIZCTEOSA-N 0 0 348.358 3.540 10 30 EHEERN CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)NCCC1CCCCC1 ZINC000330330243 1042902693 /nfs/dbraw/zinc/90/26/93/1042902693.db2.gz NFFSNOFWQRADTK-IRXDYDNUSA-N 0 0 348.491 3.597 10 30 EHEERN O/N=C1\COc2cc(OCc3sccc3Br)ccc21 ZINC000062805457 214732292 /nfs/dbraw/zinc/73/22/92/214732292.db2.gz PYEKUOHPTOETHE-RVDMUPIBSA-N 0 0 340.198 3.660 10 30 EHEERN C=CCn1c(CNC(=O)c2ccccc2Cl)nc2ccccc21 ZINC000040277184 213286797 /nfs/dbraw/zinc/28/67/97/213286797.db2.gz AZKLJWJIDKTAPE-UHFFFAOYSA-N 0 0 325.799 3.806 10 30 EHEERN COc1ccc([C@H](C#N)Cc2cc(OC)c(OC)c(OC)c2)cc1 ZINC000001625607 209769126 /nfs/dbraw/zinc/76/91/26/209769126.db2.gz HOEGAADPJGVIFT-HNNXBMFYSA-N 0 0 327.380 3.571 10 30 EHEERN C=C(C)C(=O)NCc1nc2ccccc2n1Cc1ccccc1Cl ZINC000040194185 213280259 /nfs/dbraw/zinc/28/02/59/213280259.db2.gz BESWTHLSYKLEOE-UHFFFAOYSA-N 0 0 339.826 3.930 10 30 EHEERN Cc1ccc(C(C)N=Nc2c(F)c(F)nc(F)c2F)cc1[N+](=O)[O-] ZINC000038758306 213224539 /nfs/dbraw/zinc/22/45/39/213224539.db2.gz PWCPDUMMRAFQEU-SCDVKCJHSA-N 0 0 342.252 3.691 10 30 EHEERN C/C(=N/NC(=S)Nc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1 ZINC000033302122 212919498 /nfs/dbraw/zinc/91/94/98/212919498.db2.gz DQUVEZVIGCRRGK-PDGQHHTCSA-N 0 0 328.397 3.614 10 30 EHEERN Cc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)C(C)C)nc12 ZINC000012240655 211328656 /nfs/dbraw/zinc/32/86/56/211328656.db2.gz YSXUOHIBXNHPNM-UHFFFAOYSA-N 0 0 333.395 3.504 10 30 EHEERN C=CC[C@]12C=C(OC)C(=O)C=C1O[C@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000014916880 519121597 /nfs/dbraw/zinc/12/15/97/519121597.db2.gz SOLJFAQVSWXZEQ-OITMNORJSA-N 0 0 340.375 3.682 10 30 EHEERN O=[N+]([O-])c1cccc(CN=Nc2nc(-c3cccs3)cs2)c1 ZINC000033366782 527384882 /nfs/dbraw/zinc/38/48/82/527384882.db2.gz HJNHTRNCEIPGAM-NVNXTCNLSA-N 0 0 330.394 3.648 10 30 EHEERN C=CCn1c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2oc1=O ZINC000015863189 564074391 /nfs/dbraw/zinc/07/43/91/564074391.db2.gz PNJVRJPSVBKZNE-UHFFFAOYSA-N 0 0 342.782 3.995 10 30 EHEERN O=C(Nc1cccnc1)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2)c1 ZINC000328602562 564136830 /nfs/dbraw/zinc/13/68/30/564136830.db2.gz CCDMCXSFTURJMZ-ZWKOTPCHSA-N 0 0 334.379 3.633 10 30 EHEERN Cc1ccc([C@H](C)NC(=O)[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)o1 ZINC000328614999 564136914 /nfs/dbraw/zinc/13/69/14/564136914.db2.gz XMHZSNJNRIVVIZ-YLVFBTJISA-N 0 0 331.416 3.734 10 30 EHEERN C#CCCCCCCCCCCC[C@@H](O)C[C@H](CO)OC(C)=O ZINC000015270286 571739101 /nfs/dbraw/zinc/73/91/01/571739101.db2.gz LQFANUWEWSJRJG-RTBURBONSA-N 0 0 326.477 3.586 10 30 endogenous,in-man EHEERN C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000328622760 1016252721 /nfs/dbraw/zinc/25/27/21/1016252721.db2.gz YKYULVXGEOYDLC-MSRLKIHKSA-N 0 0 329.227 3.530 10 30 EHEERN COc1ccc(OC)c(C=NOCc2nc(C)c3ccccc3n2)c1 ZINC000588600393 1032467871 /nfs/dbraw/zinc/46/78/71/1032467871.db2.gz WUEQYRYZKXQCHJ-UHFFFAOYSA-N 0 0 337.379 3.506 10 30 EHEERN O=C(NCc1csc2ccccc12)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330071771 1017525552 /nfs/dbraw/zinc/52/55/52/1017525552.db2.gz JFSSSANBAAOLSO-DNVCBOLYSA-N 0 0 344.480 3.942 10 30 EHEERN N#Cc1ccccc1Oc1ccccc1C(=O)N1CCC[C@H]2OCC[C@H]21 ZINC000377386254 1017731605 /nfs/dbraw/zinc/73/16/05/1017731605.db2.gz NMLUFALDVWEIQY-YLJYHZDGSA-N 0 0 348.402 3.744 10 30 EHEERN Cc1ccc(-c2ncccc2NC(=O)N[C@@H]2CCC[C@@H]2C#N)s1 ZINC000333299279 1019053534 /nfs/dbraw/zinc/05/35/34/1019053534.db2.gz BRDXFGODISZGFD-CHWSQXEVSA-N 0 0 326.425 3.932 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000333308428 1019073147 /nfs/dbraw/zinc/07/31/47/1019073147.db2.gz MZXQVRRSWRIAFH-BBRMVZONSA-N 0 0 342.830 3.512 10 30 EHEERN N#Cc1ccc(-c2ccc(OC(=O)/C=C\c3ccncn3)cc2)cc1 ZINC000588435228 1022216348 /nfs/dbraw/zinc/21/63/48/1022216348.db2.gz OJABJDCBAXDGBW-YFHOEESVSA-N 0 0 327.343 3.634 10 30 EHEERN C=CCN(CC(F)(F)F)C(=O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000588437534 1022428615 /nfs/dbraw/zinc/42/86/15/1022428615.db2.gz YUIMRSNADVBLOH-LUAWRHEFSA-N 0 0 328.290 3.575 10 30 EHEERN C=CCN(CC(F)(F)F)C(=O)/C(C)=C\c1ccc(OC)c(F)c1 ZINC000588437497 1022428822 /nfs/dbraw/zinc/42/88/22/1022428822.db2.gz IEMCXRVZQNSLLI-FLIBITNWSA-N 0 0 331.309 3.815 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCCC[C@@H]1CC(C)C)CCC2 ZINC000328638063 1022452006 /nfs/dbraw/zinc/45/20/06/1022452006.db2.gz BFUCWCOANYZBLA-DLBZAZTESA-N 0 0 332.492 3.884 10 30 EHEERN CCN(C(=O)N[C@@H]1CCO[C@@H]1C1CC1)[C@H](C)c1cccc(OC)c1 ZINC000328828654 1022507189 /nfs/dbraw/zinc/50/71/89/1022507189.db2.gz IYPWFHZWKKTQRS-FSPWUOQZSA-N 0 0 332.444 3.560 10 30 EHEERN Cc1cnc([C@@H](C)NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)s1 ZINC000328938922 1022536380 /nfs/dbraw/zinc/53/63/80/1022536380.db2.gz GXPICWVRXLVPIT-MRVWCRGKSA-N 0 0 330.457 3.637 10 30 EHEERN CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CC[C@H](CCO)C1)CCC2 ZINC000328946173 1022537200 /nfs/dbraw/zinc/53/72/00/1022537200.db2.gz VINDPHYBKIWMLU-DNVCBOLYSA-N 0 0 330.472 3.806 10 30 EHEERN C[C@@H]1C[C@H](C(=O)NC[C@H]2CCn3ncc(C(N)=O)c3C2)CC(C)(C)C1 ZINC000328922023 1022548107 /nfs/dbraw/zinc/54/81/07/1022548107.db2.gz UFNRTYXRQURWKA-RDBSUJKOSA-N 0 0 346.475 3.748 10 30 EHEERN Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)/C=C\c1ccccc1C#N ZINC000588473086 1023735738 /nfs/dbraw/zinc/73/57/38/1023735738.db2.gz TZDVFYBEPSNLAG-IWMPZKFUSA-N 0 0 336.439 3.709 10 30 EHEERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1nc2c(s1)C[C@H](C)CC2 ZINC000329903246 1024241826 /nfs/dbraw/zinc/24/18/26/1024241826.db2.gz IFAJERCCQGHRAM-LALPHHSUSA-N 0 0 337.489 3.655 10 30 EHEERN C[C@H](CC1CCCCC1)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000329942617 1024258889 /nfs/dbraw/zinc/25/88/89/1024258889.db2.gz HHWNDUIVAYLDJL-WBVHZDCISA-N 0 0 332.492 3.952 10 30 EHEERN COc1cccc2c1CC[C@H]2NC(=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330040695 1024301872 /nfs/dbraw/zinc/30/18/72/1024301872.db2.gz CPMCVPQRMKUUGL-YQVWRLOYSA-N 0 0 338.407 3.812 10 30 EHEERN CC[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(OC)cc1 ZINC000185999781 1024361683 /nfs/dbraw/zinc/36/16/83/1024361683.db2.gz ABXUOBSOMPACSB-SFHVURJKSA-N 0 0 333.395 3.711 10 30 EHEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1cnc2ccsc2c1 ZINC000186001278 1024373447 /nfs/dbraw/zinc/37/34/47/1024373447.db2.gz KISYUADSNPOONH-GFCCVEGCSA-N 0 0 346.419 3.922 10 30 EHEERN CC[C@]1(O)CCN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000330283169 1024383017 /nfs/dbraw/zinc/38/30/17/1024383017.db2.gz WAQWCSTUMNLNGD-APWZRJJASA-N 0 0 344.455 3.584 10 30 EHEERN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329067401 1025584915 /nfs/dbraw/zinc/58/49/15/1025584915.db2.gz WZDNCEWTRBPDBU-VRKREXBASA-N 0 0 346.475 3.660 10 30 EHEERN O=C(N[C@@H]1CCCc2cc(F)ccc21)N[C@H]1CCCc2c[nH]nc21 ZINC000329088173 1025595038 /nfs/dbraw/zinc/59/50/38/1025595038.db2.gz VLKASTCDXORKTK-CVEARBPZSA-N 0 0 328.391 3.507 10 30 EHEERN O=C(C[C@@H]1C[C@H]1c1ccccc1)NC[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000329101597 1025602432 /nfs/dbraw/zinc/60/24/32/1025602432.db2.gz NAONGMYNBQCBAB-JPLJXNOCSA-N 0 0 343.467 3.704 10 30 EHEERN Cc1ccc2c(c1)C(=O)/C(=C/c1ccc3c(c1)CCC(=O)N3C)CCO2 ZINC000588509356 1025688531 /nfs/dbraw/zinc/68/85/31/1025688531.db2.gz PVQKARGNMKQMQU-GHRIWEEISA-N 0 0 347.414 3.953 10 30 EHEERN O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)N1C[C@@H]2CCC[C@@H]21 ZINC000329473491 1025899131 /nfs/dbraw/zinc/89/91/31/1025899131.db2.gz OOQRCYNZZXTSNL-LRDDRELGSA-N 0 0 334.379 3.920 10 30 EHEERN CC[C@H](NC(=O)CC[C@@H]1CN(C(C)=O)c2ccccc21)[C@H]1CCCO1 ZINC000329610352 1026073431 /nfs/dbraw/zinc/07/34/31/1026073431.db2.gz JIHHIILIUYBAQZ-HHXXYDBFSA-N 0 0 344.455 3.831 10 30 EHEERN N#Cc1cccnc1-n1cc(N[C@@H]2CCc3cc(Cl)ccc32)cn1 ZINC000186028299 1026129267 /nfs/dbraw/zinc/12/92/67/1026129267.db2.gz LNRSDHAVLHXQHH-QGZVFWFLSA-N 0 0 335.798 3.892 10 30 EHEERN CC(C)(C#N)c1ccc(NC(=O)N2CCO[C@H](c3ccco3)C2)cc1 ZINC000122841244 1026790033 /nfs/dbraw/zinc/79/00/33/1026790033.db2.gz IAFWBXOBSQQLJQ-KRWDZBQOSA-N 0 0 339.395 3.686 10 30 EHEERN N#C[C@@H]1CCC[C@H]1NCC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000333559366 1027302470 /nfs/dbraw/zinc/30/24/70/1027302470.db2.gz GUKPJCBRPNXIMO-QKNQBKEWSA-N 0 0 339.483 3.706 10 30 EHEERN N#CCOc1ccc(CNC(=O)N2CC=C(c3ccccc3)CC2)cc1 ZINC000069317983 1028427585 /nfs/dbraw/zinc/42/75/85/1028427585.db2.gz WFKLRWHHNYPDDZ-UHFFFAOYSA-N 0 0 347.418 3.588 10 30 EHEERN C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccccc1OCC#N ZINC000247256724 1028767274 /nfs/dbraw/zinc/76/72/74/1028767274.db2.gz DVFGWYGFPJZGME-GPMSIDNRSA-N 0 0 334.419 3.996 10 30 EHEERN Cn1nc(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c(=O)c2ccccc21 ZINC000329235482 1030067180 /nfs/dbraw/zinc/06/71/80/1030067180.db2.gz NOWIWVQQVLYLMB-RRFJBIMHSA-N 0 0 339.439 3.597 10 30 EHEERN C[C@]1(NC(=O)N[C@@H]2CCCc3cc(F)ccc32)CCO[C@@H]1C1CC1 ZINC000329406856 1030633428 /nfs/dbraw/zinc/63/34/28/1030633428.db2.gz CESDJAIXKHZHFC-LMMKCTJWSA-N 0 0 332.419 3.664 10 30 EHEERN CCc1nccn1[C@@H]1CCCN(C(=O)NCCC2CCCCC2)C1 ZINC000329687377 1031799743 /nfs/dbraw/zinc/79/97/43/1031799743.db2.gz VESXSKFDHVUHIG-QGZVFWFLSA-N 0 0 332.492 3.967 10 30 EHEERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000329919738 1034766540 /nfs/dbraw/zinc/76/65/40/1034766540.db2.gz DLXXONOZOLRUPI-ZQNQSHIBSA-N 0 0 348.409 3.816 10 30 EHEERN CC1(C)CCCN1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000408139408 1041777366 /nfs/dbraw/zinc/77/73/66/1041777366.db2.gz NMSXLNSQYKGDED-UHFFFAOYSA-N 0 0 341.455 3.832 10 30 EHEERN O=C(Nc1ccc(-n2cccn2)c(Cl)c1)N1CC[C@H]2CCC[C@H]21 ZINC000330258722 1042649900 /nfs/dbraw/zinc/64/99/00/1042649900.db2.gz RNKSRVZPCUHQOJ-IUODEOHRSA-N 0 0 330.819 3.946 10 30 EHEERN Cc1nc([C@H](C)NC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)cs1 ZINC000330261670 1042661849 /nfs/dbraw/zinc/66/18/49/1042661849.db2.gz UKIXREGBNOVRON-GXFFZTMASA-N 0 0 349.460 3.770 10 30 EHEERN COc1ccc([C@H](CC(=O)N2CC[C@@H]3CCC[C@H]32)NC(C)=O)cc1 ZINC000330327876 1042904540 /nfs/dbraw/zinc/90/45/40/1042904540.db2.gz VSKNMZWDMNMRDY-RYQLBKOJSA-N 0 0 330.428 3.504 10 30 EHEERN C#Cc1cccc(N(CC)C(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)c1 ZINC000103027631 1132608359 /nfs/dbraw/zinc/60/83/59/1132608359.db2.gz VPYIIJNPENPBIC-YWZLYKJASA-N 0 0 346.430 3.929 10 30 EHEERN C#Cc1cccc(N(C)C(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1 ZINC000103030398 1132609625 /nfs/dbraw/zinc/60/96/25/1132609625.db2.gz CWLLILZGQWTVGO-UHFFFAOYSA-N 0 0 343.430 3.806 10 30 EHEERN COc1ccc(C(=O)/C=C/C2=Cc3ccccc3OC2)cc1NC(C)=O ZINC000102599039 1135595590 /nfs/dbraw/zinc/59/55/90/1135595590.db2.gz RHBNMVFNYJMCHZ-VQHVLOKHSA-N 0 0 349.386 3.869 10 30 EHEERN CCOc1ccc(C=NN2C(=S)N=NC2c2cccs2)cc1 ZINC000101484349 219129144 /nfs/dbraw/zinc/12/91/44/219129144.db2.gz UQRBXIXFDUFSKF-YBEGLDIGSA-N 0 0 330.438 3.576 10 30 EHEERN C=C(C)C(=O)NCc1nc2ccccc2n1C/C=C/c1ccccc1 ZINC000040194204 213281075 /nfs/dbraw/zinc/28/10/75/213281075.db2.gz UZKCOIHXUBKSER-DHZHZOJOSA-N 0 0 331.419 3.942 10 30 EHEERN C=C(C)C(=O)NCc1nc2ccccc2n1Cc1cc(C)ccc1C ZINC000040194178 213280875 /nfs/dbraw/zinc/28/08/75/213280875.db2.gz UCBHIZFKOIPGDY-UHFFFAOYSA-N 0 0 333.435 3.894 10 30 EHEERN C=C(C)C(=O)NCc1nc2ccccc2n1CCCc1ccccc1 ZINC000040194203 213280880 /nfs/dbraw/zinc/28/08/80/213280880.db2.gz MUYYRRWJPFRMRQ-UHFFFAOYSA-N 0 0 333.435 3.861 10 30 EHEERN N#Cc1ccc(NC(=O)CCOc2ccc(Br)cc2)cc1 ZINC000019847265 212075675 /nfs/dbraw/zinc/07/56/75/212075675.db2.gz CLRLWPJHHNWKGR-UHFFFAOYSA-N 0 0 345.196 3.728 10 30 EHEERN C/C(=N\O)c1ccccc1NC(=O)c1ccc(Br)cc1 ZINC000019427544 212027308 /nfs/dbraw/zinc/02/73/08/212027308.db2.gz AEJOAGUJZRXYEZ-VCHYOVAHSA-N 0 0 333.185 3.900 10 30 EHEERN C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(O)=C(C=O)C[C@]4(C)[C@H]3CC[C@@]21C ZINC000118914290 221203424 /nfs/dbraw/zinc/20/34/24/221203424.db2.gz FYEOMZSZJFOTGQ-GXWGVVPNSA-N 0 0 340.463 3.934 10 30 in-vitro EHEERN C#C[C@]1(O)C=C[C@H]2[C@@H]3CC[C@@]4(OC)CC(=O)CC[C@@H]4[C@H]3CC[C@@]21CC ZINC000525919599 257841257 /nfs/dbraw/zinc/84/12/57/257841257.db2.gz FARYOSZFPRKXJF-WIJSBRJSSA-N 0 0 342.479 3.508 10 30 EHEERN Cc1ccc(CSc2nncn2/N=C\c2ccc(F)cc2)cc1 ZINC000033289710 524652894 /nfs/dbraw/zinc/65/28/94/524652894.db2.gz GODSDHHAHHYBSM-JMIUGGIZSA-N 0 0 326.400 3.900 10 30 EHEERN C=CC[C@]12C=C(OC)C(=O)C=C1O[C@@H](c1ccc3c(c1)OCO3)[C@H]2C ZINC000013108875 564135989 /nfs/dbraw/zinc/13/59/89/564135989.db2.gz SOLJFAQVSWXZEQ-TVNIXMEMSA-N 0 0 340.375 3.682 10 30 biogenic,in-vitro EHEERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)N[C@H]1CC12CCCCC2 ZINC000328613129 564136892 /nfs/dbraw/zinc/13/68/92/564136892.db2.gz QURWNSNQSVHGQW-ZOBUZTSGSA-N 0 0 331.460 3.794 10 30 EHEERN O=C(NCC1(O)CCCCCC1)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000329742302 1032078036 /nfs/dbraw/zinc/07/80/36/1032078036.db2.gz WMGRZJOKOGBGKA-OXJNMPFZSA-N 0 0 329.440 3.769 10 30 EHEERN Cn1c2ccc(/C=C3\CCOc4ccccc4C3=O)cc2sc1=O ZINC000588598373 1032449364 /nfs/dbraw/zinc/44/93/64/1032449364.db2.gz IWXWEQUTFTYEDL-JLHYYAGUSA-N 0 0 337.400 3.649 10 30 EHEERN Cn1c(=O)sc2cc(/C=C\C(=O)c3ccc(Cl)nc3)ccc21 ZINC000588599270 1032451049 /nfs/dbraw/zinc/45/10/49/1032451049.db2.gz VXXFTTDHDJNDQA-UTCJRWHESA-N 0 0 330.796 3.545 10 30 EHEERN Cc1ccccc1[C@H](NC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)C1CC1 ZINC000330128047 1017976412 /nfs/dbraw/zinc/97/64/12/1017976412.db2.gz NHWZMRXOTUAWEU-YFVAEKQCSA-N 0 0 342.483 3.987 10 30 EHEERN N#C[C@H]1CCC[C@@H]1NC(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000333308435 1019076086 /nfs/dbraw/zinc/07/60/86/1019076086.db2.gz MZXQVRRSWRIAFH-CJNGLKHVSA-N 0 0 342.830 3.512 10 30 EHEERN CC(C)(C(=O)N[C@H]1CCCc2cc(F)ccc21)S(=O)(=O)C1CC1 ZINC000328792723 1020941135 /nfs/dbraw/zinc/94/11/35/1020941135.db2.gz AKEAXABNMXHWOF-HNNXBMFYSA-N 0 0 339.432 3.515 10 30 EHEERN COc1cc(Br)ccc1/C=C\C(=O)c1c(C)nn(C)c1C ZINC000588419300 1021185253 /nfs/dbraw/zinc/18/52/53/1021185253.db2.gz OQNRDAQWADAYEO-VURMDHGXSA-N 0 0 349.228 3.704 10 30 EHEERN COc1cc(C(=O)/C=C\c2cccc3cnccc23)c(OC)cc1O ZINC000588423226 1021393152 /nfs/dbraw/zinc/39/31/52/1021393152.db2.gz QZZQOUCEZAYIGY-SREVYHEPSA-N 0 0 335.359 3.854 10 30 EHEERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)Nc3ccc(C#N)cc3)C2)cc1 ZINC000120797063 1022203418 /nfs/dbraw/zinc/20/34/18/1022203418.db2.gz LSMSFQNMOHYOEJ-PBHICJAKSA-N 0 0 335.407 3.977 10 30 EHEERN C[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328640988 1022452104 /nfs/dbraw/zinc/45/21/04/1022452104.db2.gz CWDTZSRMKMIDRD-QSOKESPWSA-N 0 0 332.444 3.854 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N(C)[C@H]1CCc3ccccc31)CCC2 ZINC000328651934 1022454287 /nfs/dbraw/zinc/45/42/87/1022454287.db2.gz KDBUEINGEHAQGF-WMZOPIPTSA-N 0 0 338.455 3.602 10 30 EHEERN Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCC[C@@H](n2cccn2)C1 ZINC000328703736 1022472968 /nfs/dbraw/zinc/47/29/68/1022472968.db2.gz OIWXLTMXPCVTCD-GOEBONIOSA-N 0 0 330.407 3.644 10 30 EHEERN C[C@@H](C1CCCCC1)N(C)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000328762103 1022482551 /nfs/dbraw/zinc/48/25/51/1022482551.db2.gz YNPXJSLPVURSDA-JQHSSLGASA-N 0 0 349.519 3.592 10 30 EHEERN O=C(N[C@@H]1CCCc2sccc21)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328730344 1022487632 /nfs/dbraw/zinc/48/76/32/1022487632.db2.gz FZRBBVFCLVINLA-TZMCWYRMSA-N 0 0 333.457 3.671 10 30 EHEERN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000328989306 1022560066 /nfs/dbraw/zinc/56/00/66/1022560066.db2.gz CQAMAJHXSDNHKO-KYHPRHEASA-N 0 0 331.460 3.813 10 30 EHEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)CCC1CCOCC1)C2 ZINC000329789487 1024196386 /nfs/dbraw/zinc/19/63/86/1024196386.db2.gz BZIBZPAEJQJNEZ-OAHLLOKOSA-N 0 0 333.476 3.659 10 30 EHEERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1CC[C@H](n2cccn2)C1 ZINC000329805835 1024204006 /nfs/dbraw/zinc/20/40/06/1024204006.db2.gz KXMREQXHUHWWCD-WMZOPIPTSA-N 0 0 338.455 3.758 10 30 EHEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)NCC2(OC)CCC(C)CC2)cn1 ZINC000330043261 1024300791 /nfs/dbraw/zinc/30/07/91/1024300791.db2.gz CKENFEVDZBZJJV-OGFXQLCQSA-N 0 0 349.475 3.532 10 30 EHEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCCC(C)(C)C1)C2 ZINC000329292331 1025729074 /nfs/dbraw/zinc/72/90/74/1025729074.db2.gz RDYNQXSABWQKEH-AWEZNQCLSA-N 0 0 332.492 3.531 10 30 EHEERN O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)N1C[C@@H]2CCC[C@H]21 ZINC000329473490 1025899363 /nfs/dbraw/zinc/89/93/63/1025899363.db2.gz OOQRCYNZZXTSNL-BLLLJJGKSA-N 0 0 334.379 3.920 10 30 EHEERN N#Cc1ccc(Oc2cccc(C(=O)NC3(C#N)CCCC3)c2)cc1 ZINC000103189231 1026056961 /nfs/dbraw/zinc/05/69/61/1026056961.db2.gz ZKXNBRSRKXIYHG-UHFFFAOYSA-N 0 0 331.375 3.917 10 30 EHEERN Cc1cnc([C@H](C)NC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)o1 ZINC000329242798 1030091257 /nfs/dbraw/zinc/09/12/57/1030091257.db2.gz AJRKBJKVWRJPSZ-GTNSWQLSSA-N 0 0 343.408 3.630 10 30 EHEERN Cn1nc(-c2ccccc2)c(CN(CCC#N)CC2CC2)c1Cl ZINC000093091559 1030559701 /nfs/dbraw/zinc/55/97/01/1030559701.db2.gz IUAZNWIMSNNFTG-UHFFFAOYSA-N 0 0 328.847 3.866 10 30 EHEERN Cc1ccc([C@@H]2CN(Cc3ccc(N(C)CCC#N)cc3)CCO2)o1 ZINC000093864967 1030687828 /nfs/dbraw/zinc/68/78/28/1030687828.db2.gz MRNPHYQPAYMWGS-FQEVSTJZSA-N 0 0 339.439 3.511 10 30 EHEERN Cc1cccn2cc(CNC(=O)[C@@H]3C[C@@]34CCOc3ccccc34)nc12 ZINC000329647668 1031590148 /nfs/dbraw/zinc/59/01/48/1031590148.db2.gz DXBKOGITGCMDDF-LAUBAEHRSA-N 0 0 347.418 3.840 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000329699469 1031873789 /nfs/dbraw/zinc/87/37/89/1031873789.db2.gz DCHOKHQQOWSUQV-YOEHRIQHSA-N 0 0 347.422 3.620 10 30 EHEERN C#CCOc1ccccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000188120000 1035900021 /nfs/dbraw/zinc/90/00/21/1035900021.db2.gz CINHOKAZIHFWAW-AWEZNQCLSA-N 0 0 341.436 3.567 10 30 EHEERN N#Cc1ccc(CN[C@@H](c2ncon2)c2ccc(Cl)cc2)s1 ZINC000122607413 1036179502 /nfs/dbraw/zinc/17/95/02/1036179502.db2.gz DBGIAYHPGQPCEM-CQSZACIVSA-N 0 0 330.800 3.535 10 30 EHEERN N#Cc1ccc(CNC(=O)N[C@@H](c2ccccc2)c2ccncc2)cc1 ZINC000103179066 1036883931 /nfs/dbraw/zinc/88/39/31/1036883931.db2.gz NIOHXZBKDKCRPE-FQEVSTJZSA-N 0 0 342.402 3.542 10 30 EHEERN Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151061211 1039722437 /nfs/dbraw/zinc/72/24/37/1039722437.db2.gz WUZWERFMMGEDPQ-QRWLVFNGSA-N 0 0 339.414 3.685 10 30 EHEERN Cc1nc([C@@H]2CCCN2CC(=O)Nc2ccc3c(c2)OCO3)cs1 ZINC000330240159 1040412828 /nfs/dbraw/zinc/41/28/28/1040412828.db2.gz VVQOGIIANYXYHW-AWEZNQCLSA-N 0 0 345.424 3.605 10 30 EHEERN Cc1cccc(NC(=O)N2CC[C@H]3CCC[C@@H]32)c1C(=O)N1CCCC1 ZINC000330256384 1042592262 /nfs/dbraw/zinc/59/22/62/1042592262.db2.gz QBFYMAXWSJWJKU-WBVHZDCISA-N 0 0 341.455 3.651 10 30 EHEERN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000330261543 1042661068 /nfs/dbraw/zinc/66/10/68/1042661068.db2.gz UISMHYRXRJQHJW-SUMWQHHRSA-N 0 0 327.428 3.882 10 30 EHEERN NC(=NOCCOc1c(Cl)cccc1Cl)c1cccs1 ZINC000105032574 1042697130 /nfs/dbraw/zinc/69/71/30/1042697130.db2.gz QMRMFTZPGUCPLE-UHFFFAOYSA-N 0 0 331.224 3.771 10 30 EHEERN Cc1cc(F)c(Br)cc1NC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000408305014 1042999921 /nfs/dbraw/zinc/99/99/21/1042999921.db2.gz GHIXDPHBUIYEQH-SKDRFNHKSA-N 0 0 340.196 3.710 10 30 EHEERN C[C@@H]1CCN(C(=O)NC2CCC(Oc3ccccc3C#N)CC2)[C@@H]1C ZINC000408339805 1043338748 /nfs/dbraw/zinc/33/87/48/1043338748.db2.gz MFFVUNXWZOROHZ-RCDYEMGKSA-N 0 0 341.455 3.688 10 30 EHEERN Cc1cc(C)c(NC(=O)N[C@@H]2CCC[C@@H]2C#N)cc1Br ZINC000408356718 1043660353 /nfs/dbraw/zinc/66/03/53/1043660353.db2.gz RSVIYTIWZCLKJP-DGCLKSJQSA-N 0 0 336.233 3.880 10 30 EHEERN N#Cc1cccc(N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)n1 ZINC000301861479 1128609325 /nfs/dbraw/zinc/60/93/25/1128609325.db2.gz UADKNQHUWPANQZ-INIZCTEOSA-N 0 0 329.407 3.727 10 30 EHEERN CC(C)Oc1ccc(C#N)cc1NC(=O)[C@H]1CCCc2cccnc21 ZINC000195448744 1123442367 /nfs/dbraw/zinc/44/23/67/1123442367.db2.gz XFDDSEUYSGMWJI-INIZCTEOSA-N 0 0 335.407 3.799 10 30 EHEERN CCCCCCC[NH+]=Cc1c(C)[n-]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000100503565 219100938 /nfs/dbraw/zinc/10/09/38/219100938.db2.gz VLAUNJWMNRGNOS-UYRXBGFRSA-N 0 0 344.415 3.772 10 30 EHEERN COc1ccc2c(c1)C(=O)/C(=C\N(C)C)[C@@H](c1ccc(F)cc1)O2 ZINC000103896543 219328457 /nfs/dbraw/zinc/32/84/57/219328457.db2.gz DUONXFZMXUZTSH-KZIRBZLESA-N 0 0 327.355 3.596 10 30 EHEERN CNC(SCc1ccc(Cl)c(Cl)c1)=C(C(C)=O)C(C)=O ZINC000040570340 213352053 /nfs/dbraw/zinc/35/20/53/213352053.db2.gz FRTQVXAJIWOOAX-UHFFFAOYSA-N 0 0 332.252 3.836 10 30 EHEERN C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nc2ccccc21 ZINC000040301038 213290283 /nfs/dbraw/zinc/29/02/83/213290283.db2.gz XMDAOFINNPGPPF-UHFFFAOYSA-N 0 0 349.434 3.534 10 30 EHEERN CSc1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000038203387 213204711 /nfs/dbraw/zinc/20/47/11/213204711.db2.gz LSGXXZNIQOHSFZ-DHDCSXOGSA-N 0 0 332.341 3.671 10 30 EHEERN CN(C(=O)c1csc(Br)c1)C1(C#N)CCCCC1 ZINC000037843835 213169798 /nfs/dbraw/zinc/16/97/98/213169798.db2.gz OCOCLKNKNPLORO-UHFFFAOYSA-N 0 0 327.247 3.809 10 30 EHEERN CCOc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1O ZINC000031904442 262500720 /nfs/dbraw/zinc/50/07/20/262500720.db2.gz TZXAQGPILHCVSS-ODLFYWEKSA-N 0 0 339.420 3.782 10 30 EHEERN COc1ccc(/C=C/C(=O)c2cc(C)c(OC)c(OC)c2)c(OC)c1 ZINC000005361965 523399083 /nfs/dbraw/zinc/39/90/83/523399083.db2.gz VASAVLLZWPNBLE-VQHVLOKHSA-N 0 0 342.391 3.926 10 30 EHEERN Cc1cc(-c2ncccc2NC(=O)N[C@@H]2CCC[C@@H]2C#N)cs1 ZINC000333725185 564060088 /nfs/dbraw/zinc/06/00/88/564060088.db2.gz OPPOYGUHYMEFEG-TZMCWYRMSA-N 0 0 326.425 3.932 10 30 EHEERN Cc1cc(-c2ncccc2NC(=O)N[C@H]2CCC[C@H]2C#N)cs1 ZINC000333725180 564060091 /nfs/dbraw/zinc/06/00/91/564060091.db2.gz OPPOYGUHYMEFEG-JSGCOSHPSA-N 0 0 326.425 3.932 10 30 EHEERN CCOC(=O)C(=CNC1CC1)C(=O)c1cc(F)c(Cl)cc1Cl ZINC000022008698 564130111 /nfs/dbraw/zinc/13/01/11/564130111.db2.gz UYJWKMILOGUYTL-JXMROGBWSA-N 0 0 346.185 3.514 10 30 EHEERN COCCCn1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1cccc(C)c1 ZINC000328602857 564136831 /nfs/dbraw/zinc/13/68/31/564136831.db2.gz CZLFVAYLTVZUMC-WMZOPIPTSA-N 0 0 343.427 3.594 10 30 EHEERN C=CCCC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685961965 564177239 /nfs/dbraw/zinc/17/72/39/564177239.db2.gz QLJKPVBAGNZSSC-QGZVFWFLSA-N 0 0 346.471 3.547 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)CCc2ccc(C#N)cc2)cs1 ZINC000187130908 1014861204 /nfs/dbraw/zinc/86/12/04/1014861204.db2.gz NIXJVAAYMXYWCA-KRWDZBQOSA-N 0 0 325.437 3.620 10 30 EHEERN C[C@H]1C(=O)NCCCN1C(=O)N[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000328617110 1022450150 /nfs/dbraw/zinc/45/01/50/1022450150.db2.gz TWQPJPOQKNAWSH-DOPJRALCSA-N 0 0 337.423 3.660 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H](c1ccccc1)C(C)C)CCC2 ZINC000328647517 1022453325 /nfs/dbraw/zinc/45/33/25/1022453325.db2.gz HNLJJVVCJXNBHH-ZWKOTPCHSA-N 0 0 340.471 3.970 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N(C)[C@@H](C)c1ccc(F)cc1)CCC2 ZINC000328657875 1022455681 /nfs/dbraw/zinc/45/56/81/1022455681.db2.gz PXLSJEDKRCOHCI-HOCLYGCPSA-N 0 0 344.434 3.815 10 30 EHEERN CC(C)[C@H](NC(=O)C[C@H]1CCCCC(=O)N1)c1nc(C2CC2)no1 ZINC000328672637 1022460081 /nfs/dbraw/zinc/46/00/81/1022460081.db2.gz OKWOCFIVGDHCFZ-DOMZBBRYSA-N 0 0 334.420 3.890 10 30 EHEERN Cc1nc2ccccc2n1CCC(=O)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328704829 1022472503 /nfs/dbraw/zinc/47/25/03/1022472503.db2.gz PBFAPAHDHQEJJQ-MRXNPFEDSA-N 0 0 340.427 3.733 10 30 EHEERN Cc1ccc(F)cc1NC(=O)[C@@H](C)N1CCC[C@@H](n2cccn2)C1 ZINC000328703735 1022472993 /nfs/dbraw/zinc/47/29/93/1022472993.db2.gz OIWXLTMXPCVTCD-GDBMZVCRSA-N 0 0 330.407 3.644 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@@H](CC(C)C)C1)CCC2 ZINC000328702008 1022473070 /nfs/dbraw/zinc/47/30/70/1022473070.db2.gz JLNKOQMYWWMWIN-IRXDYDNUSA-N 0 0 332.492 3.741 10 30 EHEERN O=C(N[C@H]1CCCc2occc21)N1CCC(c2nccs2)CC1 ZINC000328785970 1022499217 /nfs/dbraw/zinc/49/92/17/1022499217.db2.gz WKBJHBVBUPSBEF-AWEZNQCLSA-N 0 0 331.441 3.907 10 30 EHEERN CCOc1cccc(/C=N\Cc2ncc(-c3ccccc3)cn2)c1O ZINC000588460220 1023227889 /nfs/dbraw/zinc/22/78/89/1023227889.db2.gz QDFCZSXWQBUXMD-NHDPSOOVSA-N 0 0 333.391 3.867 10 30 EHEERN O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)N1CCC[C@H]1CCO ZINC000330284038 1024385271 /nfs/dbraw/zinc/38/52/71/1024385271.db2.gz WXZJTSCXQDQJQA-DOTOQJQBSA-N 0 0 344.455 3.584 10 30 EHEERN CC[C@@H]1OCCC[C@H]1C(=O)NC1(c2noc(C3CC3)n2)CCCC1 ZINC000330333479 1024929446 /nfs/dbraw/zinc/92/94/46/1024929446.db2.gz YIPMDDSLVXHBQH-KGLIPLIRSA-N 0 0 333.432 3.878 10 30 EHEERN CS[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)C1 ZINC000329027193 1025573836 /nfs/dbraw/zinc/57/38/36/1025573836.db2.gz OJLLHAJGAMULKN-DSJMHWKBSA-N 0 0 337.489 3.519 10 30 EHEERN COc1ccccc1[C@H]1CCC[C@@H](C)N1CC(=O)NC(=O)NC1CC1 ZINC000329059949 1025582685 /nfs/dbraw/zinc/58/26/85/1025582685.db2.gz JFGQYCJFSFJSCI-CZUORRHYSA-N 0 0 345.443 3.644 10 30 EHEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@H]1c1ccncc1 ZINC000329400140 1025812766 /nfs/dbraw/zinc/81/27/66/1025812766.db2.gz YPEDATNNSDLNSN-HLLBOEOZSA-N 0 0 344.459 3.666 10 30 EHEERN Cc1cnn([C@H]2CCCN(C(=O)N[C@H]3CCc4cc(C)ccc43)C2)c1 ZINC000329492408 1025923796 /nfs/dbraw/zinc/92/37/96/1025923796.db2.gz WCOAQENEGJWNDL-HKUYNNGSSA-N 0 0 338.455 3.738 10 30 EHEERN CCc1csc([C@@H]2CCCN(C([O-])=[NH+]c3c(C)noc3C)C2)n1 ZINC000329557519 1026000178 /nfs/dbraw/zinc/00/01/78/1026000178.db2.gz QNDCPPXJBJTZEM-GFCCVEGCSA-N 0 0 334.445 3.735 10 30 EHEERN N#Cc1cccnc1-n1cc(N[C@@H]2CCSc3ccccc32)cn1 ZINC000186022561 1026124831 /nfs/dbraw/zinc/12/48/31/1026124831.db2.gz GVBIDUSZNZGNCK-MRXNPFEDSA-N 0 0 333.420 3.788 10 30 EHEERN Cc1c(C#N)cccc1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000178581853 1026248951 /nfs/dbraw/zinc/24/89/51/1026248951.db2.gz TWGSLRCMRZUDCC-UHFFFAOYSA-N 0 0 340.452 3.719 10 30 EHEERN C[C@@H](N[C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)s1 ZINC000186641687 1027734820 /nfs/dbraw/zinc/73/48/20/1027734820.db2.gz BGTAXMGEYBUEHN-XIKOKIGWSA-N 0 0 340.427 3.933 10 30 EHEERN O=C(Nc1nc2c(s1)CCCC2)N[C@H]1CCN(c2ccccc2)C1 ZINC000329167970 1029938297 /nfs/dbraw/zinc/93/82/97/1029938297.db2.gz IVWBHGRUJPQJJC-ZDUSSCGKSA-N 0 0 342.468 3.627 10 30 EHEERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N[C@](C)(C#N)CCc1ccccc1 ZINC000117797905 1031854546 /nfs/dbraw/zinc/85/45/46/1031854546.db2.gz OHQZZRAZKLYBBP-VMRPVKRXSA-N 0 0 334.419 3.582 10 30 EHEERN C=CCNc1ncc(C(=O)N2CC=C(c3ccccc3)CC2)s1 ZINC000124693982 1038225362 /nfs/dbraw/zinc/22/53/62/1038225362.db2.gz QXTKGRGWOICGCV-UHFFFAOYSA-N 0 0 325.437 3.671 10 30 EHEERN Cc1nc(-c2ccccc2)sc1NC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000332888939 1040163391 /nfs/dbraw/zinc/16/33/91/1040163391.db2.gz IBSRQCRZSOCLLZ-KGLIPLIRSA-N 0 0 326.425 3.932 10 30 EHEERN N#Cc1cccc(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)c1 ZINC000190268847 1042192755 /nfs/dbraw/zinc/19/27/55/1042192755.db2.gz PRABJCIOWPYZRF-HNNXBMFYSA-N 0 0 326.346 3.856 10 30 EHEERN Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]2C#N)cnc1N1CCCC[C@H]1C ZINC000408238729 1042828041 /nfs/dbraw/zinc/82/80/41/1042828041.db2.gz YLBCPXWIGDWKNT-BFYDXBDKSA-N 0 0 341.459 3.583 10 30 EHEERN C#Cc1cccc(N(C)C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)c1 ZINC000103031237 1132610221 /nfs/dbraw/zinc/61/02/21/1132610221.db2.gz AYGGZKFGEMYLHT-IFXJQAMLSA-N 0 0 332.403 3.539 10 30 EHEERN COc1ccc(C(=O)/C=C/c2ccc(F)c(F)c2)cc1NC(C)=O ZINC000102200763 1135488360 /nfs/dbraw/zinc/48/83/60/1135488360.db2.gz JRWSUORIMQLWDW-QPJJXVBHSA-N 0 0 331.318 3.828 10 30 EHEERN N#Cc1ccc(Cn2c3ccccc3nc2N[C@H]2CC[C@H](O)CC2)cc1 ZINC000100279937 219096083 /nfs/dbraw/zinc/09/60/83/219096083.db2.gz AHDZDKHGVGCFAP-HDICACEKSA-N 0 0 346.434 3.672 10 30 EHEERN CCCCN1C(=O)C(O)=C(C(=O)CC(C)C)[C@H]1c1ccc(O)cc1 ZINC000040357975 213292820 /nfs/dbraw/zinc/29/28/20/213292820.db2.gz FPPAZKFTJLCZDR-QGZVFWFLSA-N 0 0 331.412 3.503 10 30 EHEERN Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(Cl)c(Cl)c1 ZINC000001045837 209703337 /nfs/dbraw/zinc/70/33/37/209703337.db2.gz FXMOLVUPNIIBKQ-DJKKODMXSA-N 0 0 332.190 3.894 10 30 EHEERN N#Cc1ccccc1NC(=O)CCOc1cccc(Br)c1 ZINC000019847271 212075253 /nfs/dbraw/zinc/07/52/53/212075253.db2.gz JPLCIRWYDUDFAW-UHFFFAOYSA-N 0 0 345.196 3.728 10 30 EHEERN CC(C)(C)OC(=O)N1CCC[C@@H](CCCOc2ncccc2C#N)C1 ZINC000095085035 218276739 /nfs/dbraw/zinc/27/67/39/218276739.db2.gz ZXOTXAZONYQPAA-HNNXBMFYSA-N 0 0 345.443 3.759 10 30 EHEERN CCOC(=O)c1c(/C=C/C(=O)c2ccccc2)ccc(OC)c1OC ZINC000005333441 210441381 /nfs/dbraw/zinc/44/13/81/210441381.db2.gz GGKFAYKQSSUESV-ZRDIBKRKSA-N 0 0 340.375 3.777 10 30 EHEERN COc1ccc(/C=N/O)cc1OCc1ccc(Br)cc1 ZINC000011863227 523448739 /nfs/dbraw/zinc/44/87/39/523448739.db2.gz BNUCWFGCIBQYCF-RQZCQDPDSA-N 0 0 336.185 3.845 10 30 EHEERN C[C@@H](O/N=C/c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(Cl)c1 ZINC000007262981 525883709 /nfs/dbraw/zinc/88/37/09/525883709.db2.gz WERADRCKYACCJN-VDCVXVNISA-N 0 0 347.758 3.626 10 30 EHEERN C=CC[C@]12C=C(OC)C(=O)C=C1O[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C ZINC000001587486 560182727 /nfs/dbraw/zinc/18/27/27/560182727.db2.gz SOLJFAQVSWXZEQ-NXXCRTJYSA-N 0 0 340.375 3.682 10 30 biogenic,in-vitro EHEERN COc1cc(/C=C/C(=O)Nc2ccc(C#N)cc2)cc(Cl)c1OC ZINC000015593618 564068941 /nfs/dbraw/zinc/06/89/41/564068941.db2.gz VRIKDYFPUSHUAY-VMPITWQZSA-N 0 0 342.782 3.881 10 30 EHEERN C[N+](C)([O-])CCC[C@]1(c2ccc(F)cc2)OCc2cc(C#N)ccc21 ZINC000575231800 717183896 /nfs/dbraw/zinc/18/38/96/717183896.db2.gz SXRHWKVXLWUVPI-HXUWFJFHSA-N 0 0 341.406 3.717 10 30 EHEERN C[C@@H](N[C@H](c1nccn1C)c1cccc(F)c1)c1ccc(C#N)s1 ZINC000134719804 1015755830 /nfs/dbraw/zinc/75/58/30/1015755830.db2.gz QNBZRWQSBIGJCG-PXAZEXFGSA-N 0 0 340.427 3.933 10 30 EHEERN O=C(Nc1cncnc1)[C@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000328632691 1016253365 /nfs/dbraw/zinc/25/33/65/1016253365.db2.gz ANEPEFSORGFYPU-ZBFHGGJFSA-N 0 0 344.212 3.731 10 30 EHEERN Cc1ccc(-c2ncccc2NC(=O)N[C@H]2CCC[C@H]2C#N)s1 ZINC000333299284 1019053135 /nfs/dbraw/zinc/05/31/35/1019053135.db2.gz BRDXFGODISZGFD-STQMWFEESA-N 0 0 326.425 3.932 10 30 EHEERN N#C[C@H]1CCC[C@H]1NC(=O)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000333351367 1019380697 /nfs/dbraw/zinc/38/06/97/1019380697.db2.gz VWBBZISCSFQKRQ-MLGOLLRUSA-N 0 0 342.830 3.512 10 30 EHEERN N#Cc1cc(F)ccc1NC(=O)N1CCC[C@H](c2nccs2)C1 ZINC000177909028 1020411341 /nfs/dbraw/zinc/41/13/41/1020411341.db2.gz MZJJLKMMKXVKQQ-NSHDSACASA-N 0 0 330.388 3.565 10 30 EHEERN O=C(N[C@H]1CCN(c2ccccc2)C1)c1coc(C2CCCC2)n1 ZINC000328769220 1020698734 /nfs/dbraw/zinc/69/87/34/1020698734.db2.gz CBTUHXWLFRHWGJ-HNNXBMFYSA-N 0 0 325.412 3.916 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)C[C@H]1CCOc3ccccc31)CCC2 ZINC000328644172 1022453933 /nfs/dbraw/zinc/45/39/33/1022453933.db2.gz AMDKGIIREXNIDV-CVEARBPZSA-N 0 0 339.439 3.982 10 30 EHEERN C[C@@H](C(=O)Nc1ccccc1Cl)N1CCC[C@H](n2cccn2)C1 ZINC000328707244 1022472088 /nfs/dbraw/zinc/47/20/88/1022472088.db2.gz PXNXWCOIAYNMHV-KBPBESRZSA-N 0 0 332.835 3.850 10 30 EHEERN COC[C@@H]1CCN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000328841206 1022512209 /nfs/dbraw/zinc/51/22/09/1022512209.db2.gz ZKBQVGDDQUBXRF-WBVHZDCISA-N 0 0 344.455 3.705 10 30 EHEERN O=C(C[C@H]1CCCCNC1=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000329812342 1024204518 /nfs/dbraw/zinc/20/45/18/1024204518.db2.gz CHNUQPRUKUZUIY-ZIAGYGMSSA-N 0 0 332.400 3.589 10 30 EHEERN C[C@@H](C1CC1)n1cc(NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)cn1 ZINC000330114820 1024324244 /nfs/dbraw/zinc/32/42/44/1024324244.db2.gz SZZBVZNYJGGQJO-AFAVFJNCSA-N 0 0 326.400 3.615 10 30 EHEERN O=C(N[C@@H]1CCc2ccc(-c3ccccc3)cc21)N[C@@H]1CCCNC1=O ZINC000330276553 1024379490 /nfs/dbraw/zinc/37/94/90/1024379490.db2.gz NBKQQLUILPKKTR-RTBURBONSA-N 0 0 349.434 3.963 10 30 EHEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCSC1 ZINC000329050952 1025582044 /nfs/dbraw/zinc/58/20/44/1025582044.db2.gz WJJYBWMHVVGUGI-IIAWOOMASA-N 0 0 337.489 3.784 10 30 EHEERN CC(C)c1nc2c(n1C)CCN(CC(=O)NC1CCCCCC1)C2 ZINC000329139430 1025622957 /nfs/dbraw/zinc/62/29/57/1025622957.db2.gz FGOGKVLJFBBYHR-UHFFFAOYSA-N 0 0 332.492 3.581 10 30 EHEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCCCC[C@H]1O ZINC000329348345 1025769469 /nfs/dbraw/zinc/76/94/69/1025769469.db2.gz VZFVRHRGSGHECD-JOCBIADPSA-N 0 0 349.475 3.582 10 30 EHEERN CC1(C)C[C@@H](NC(=O)C2(N3CCOCC3)CCC2)c2ccccc2O1 ZINC000329353237 1025775670 /nfs/dbraw/zinc/77/56/70/1025775670.db2.gz XXJRKLVSPVFRCP-MRXNPFEDSA-N 0 0 344.455 3.500 10 30 EHEERN O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)[C@@H]1CCn2cncc2C1 ZINC000329380286 1025793970 /nfs/dbraw/zinc/79/39/70/1025793970.db2.gz NHHKBAZZTJVITK-KBRIMQKVSA-N 0 0 345.830 3.586 10 30 EHEERN O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329425520 1025829843 /nfs/dbraw/zinc/82/98/43/1025829843.db2.gz GHWIIYLAZCYGGK-BZUAXINKSA-N 0 0 347.846 3.756 10 30 EHEERN O=C(N[C@@H]1CCCNC1=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000329434526 1025846577 /nfs/dbraw/zinc/84/65/77/1025846577.db2.gz JFVAQUDFQFPJRQ-GOEBONIOSA-N 0 0 344.459 3.569 10 30 EHEERN CC1(C)CCC[C@H](NC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)C1 ZINC000329571214 1026023414 /nfs/dbraw/zinc/02/34/14/1026023414.db2.gz URKMCBQHKZHIOV-JYJNAYRXSA-N 0 0 336.501 3.639 10 30 EHEERN Cc1ccc(N2CCC[C@H](NC(=O)C[C@@H]3CCC[C@H](C)C3)C2)nn1 ZINC000329600120 1026056451 /nfs/dbraw/zinc/05/64/51/1026056451.db2.gz PXZJZZZUDAWJFM-UAGQMJEPSA-N 0 0 330.476 3.927 10 30 EHEERN C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000248404956 1028896001 /nfs/dbraw/zinc/89/60/01/1028896001.db2.gz AJNCARYQJROPIT-AEVYOOLXSA-N 0 0 347.418 3.685 10 30 EHEERN Cc1cc2c(cc1C)C(=O)/C(=C/c1cn(C(C)(C)C)nn1)CCO2 ZINC000588579641 1030197252 /nfs/dbraw/zinc/19/72/52/1030197252.db2.gz UEXKVVKSMFSBHO-GXDHUFHOSA-N 0 0 325.412 3.699 10 30 EHEERN Cc1cnn([C@@H]2CCCN(C(=O)N[C@@H]3CSc4ccccc43)C2)c1 ZINC000329497078 1030937145 /nfs/dbraw/zinc/93/71/45/1030937145.db2.gz DZBYWDKGTDPNAU-GDBMZVCRSA-N 0 0 342.468 3.589 10 30 EHEERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(C2(c3ccc(C#N)cc3)CC2)n1 ZINC000188039078 1033810116 /nfs/dbraw/zinc/81/01/16/1033810116.db2.gz PSAAJFATGHNMIX-HOTGVXAUSA-N 0 0 337.423 3.940 10 30 EHEERN N#Cc1cc(F)ccc1CN1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000103141087 1036859777 /nfs/dbraw/zinc/85/97/77/1036859777.db2.gz SVBSIBYHCSWOHH-SFHVURJKSA-N 0 0 330.790 3.924 10 30 EHEERN Cc1c(NC(=O)N2CC[C@@H]3CCC[C@H]32)cccc1C(=O)N1CCCC1 ZINC000330233876 1039839810 /nfs/dbraw/zinc/83/98/10/1039839810.db2.gz GEIXIHJQKVADCA-MAUKXSAKSA-N 0 0 341.455 3.651 10 30 EHEERN N#C[C@H]1CCC[C@H]1NC(=O)N1CCC(=Cc2ccccc2F)CC1 ZINC000332886745 1040160915 /nfs/dbraw/zinc/16/09/15/1040160915.db2.gz GZSSWAVHTXLQMZ-SJLPKXTDSA-N 0 0 327.403 3.707 10 30 EHEERN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)N1CC[C@@H]2CCC[C@H]21 ZINC000330265292 1042734199 /nfs/dbraw/zinc/73/41/99/1042734199.db2.gz ZBHKTMPSHRERQM-JCGIZDLHSA-N 0 0 330.428 3.664 10 30 EHEERN CC(C)(C)C(=O)Nc1nc(CC(=O)N2CC[C@H]3CCC[C@H]32)cs1 ZINC000330291753 1042832996 /nfs/dbraw/zinc/83/29/96/1042832996.db2.gz CXRBSIMTNBBRFS-DGCLKSJQSA-N 0 0 335.473 3.721 10 30 EHEERN Cc1ccc(NCc2nc(-c3cccc(Cl)c3)no2)nc1C#N ZINC000302681670 1128641062 /nfs/dbraw/zinc/64/10/62/1128641062.db2.gz XBSJVLQQFYBQDQ-UHFFFAOYSA-N 0 0 325.759 3.577 10 30 EHEERN COc1ccc(C(=O)/C=C/c2ccc(F)cc2C)cc1NC(C)=O ZINC000102200598 1135488294 /nfs/dbraw/zinc/48/82/94/1135488294.db2.gz ZVODABIXPVHBPU-VMPITWQZSA-N 0 0 327.355 3.997 10 30 EHEERN C#CC[C@H](OC(=O)CCCOc1ccc(F)cc1F)c1ccccn1 ZINC000105549727 1135952961 /nfs/dbraw/zinc/95/29/61/1135952961.db2.gz GXJQZMSNECBIIW-SFHVURJKSA-N 0 0 345.345 3.827 10 30 EHEERN Cc1nc([C@@H]2CCCN2CCCOc2cccc(C#N)c2)cs1 ZINC000189822676 1140366621 /nfs/dbraw/zinc/36/66/21/1140366621.db2.gz SWHYUCWPMHOWFU-SFHVURJKSA-N 0 0 327.453 3.929 10 30 EHEERN Cc1ccc(C(=O)C2=C(O)C(=O)O[C@H]2c2ccc(Cl)cc2)cc1 ZINC000100607568 219103077 /nfs/dbraw/zinc/10/30/77/219103077.db2.gz GHYGNXAFGQNWRY-ZWKQNVPVSA-N 0 0 328.751 3.785 10 30 EHEERN Cc1cc2c(c(Br)c1)N(C)C(=O)C2=NNc1ccccc1 ZINC000103698772 219319397 /nfs/dbraw/zinc/31/93/97/219319397.db2.gz BXOWYWFRKLMXBM-XMHGGMMESA-N 0 0 344.212 3.550 10 30 EHEERN C=CCNc1ncnc(Oc2cccc3ccc(C)nc32)c1[N+](=O)[O-] ZINC000040598598 213357033 /nfs/dbraw/zinc/35/70/33/213357033.db2.gz VUWFNMWKGIIULW-UHFFFAOYSA-N 0 0 337.339 3.632 10 30 EHEERN C=CCNc1ncnc(Nc2cccc3ccc(C)nc32)c1[N+](=O)[O-] ZINC000040598659 213356229 /nfs/dbraw/zinc/35/62/29/213356229.db2.gz XNVKZKOQTYNCEU-UHFFFAOYSA-N 0 0 336.355 3.583 10 30 EHEERN COc1ccc(C2(CC=O)CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000035995573 213054056 /nfs/dbraw/zinc/05/40/56/213054056.db2.gz XMWRYWIOIDUUGZ-UHFFFAOYSA-N 0 0 333.428 3.553 10 30 EHEERN C/C(=N/NC(=S)Nc1ccccc1C(F)(F)F)c1ccccn1 ZINC000035599593 213041572 /nfs/dbraw/zinc/04/15/72/213041572.db2.gz UVUVLWMFQRSEIT-FBHDLOMBSA-N 0 0 338.358 3.811 10 30 EHEERN C=C(C)C(=O)NCCc1nc2ccccc2n1Cc1ccc(C)cc1 ZINC000035144488 213011221 /nfs/dbraw/zinc/01/12/21/213011221.db2.gz ZPQRBGKYGVLETG-UHFFFAOYSA-N 0 0 333.435 3.628 10 30 EHEERN O=[N+]([O-])c1ccc2[nH]c(C(F)(F)C(F)(F)C(F)(F)F)nc2c1 ZINC000072265954 216087526 /nfs/dbraw/zinc/08/75/26/216087526.db2.gz IXFBWEUABZKVQQ-UHFFFAOYSA-N 0 0 331.147 3.761 10 30 EHEERN COc1ccn2cc(-c3cccc(Br)c3)nc2c1C#N ZINC000095831270 218448873 /nfs/dbraw/zinc/44/88/73/218448873.db2.gz YFLAONNAZIBFDO-UHFFFAOYSA-N 0 0 328.169 3.644 10 30 EHEERN O=C(Cc1nc2ccccc2[nH]c1=O)c1ccc(N2CCCCC2)cc1 ZINC000022115313 527653090 /nfs/dbraw/zinc/65/30/90/527653090.db2.gz ILJHAEPWAGUITO-RGEXLXHISA-N 0 0 347.418 3.808 10 30 EHEERN Oc1ccc(Br)cc1C=NN=c1[nH]c2ccccc2o1 ZINC000005777943 563550087 /nfs/dbraw/zinc/55/00/87/563550087.db2.gz JIEYACOAHODBFK-LZYBPNLTSA-N 0 0 332.157 3.742 10 30 EHEERN N#Cc1cnc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)c(Cl)c1 ZINC000275603301 564009698 /nfs/dbraw/zinc/00/96/98/564009698.db2.gz KZUCRVACIQEWKQ-HNNXBMFYSA-N 0 0 327.819 3.550 10 30 EHEERN CC1=CC(=O)C[C@H]2[C@@]1(C)CC[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1O ZINC000085888329 564034104 /nfs/dbraw/zinc/03/41/04/564034104.db2.gz UVNWQSVZIUIVBI-AZZUOYNISA-N 0 0 332.440 3.546 10 30 biogenic EHEERN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@]12C ZINC000261492173 564056163 /nfs/dbraw/zinc/05/61/63/564056163.db2.gz SKEGQFZZUKYRKV-FNUNUKEPSA-N 0 0 330.468 3.550 10 30 EHEERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)N[C@@H]1CC12CCCCC2 ZINC000328613123 564136913 /nfs/dbraw/zinc/13/69/13/564136913.db2.gz QURWNSNQSVHGQW-UXLLHSPISA-N 0 0 331.460 3.794 10 30 EHEERN CC1=C(C(=O)NC[C@@H]2CCc3nc(C(F)(F)F)cn3C2)CCCO1 ZINC000328638809 564137126 /nfs/dbraw/zinc/13/71/26/564137126.db2.gz WMEWUOSKLIJTGW-NSHDSACASA-N 0 0 343.349 3.505 10 30 EHEERN C=CCCC(C)(C)[NH2+]Cc1ccc(C(=O)[O-])cc1Br ZINC000717949021 977925524 /nfs/dbraw/zinc/92/55/24/977925524.db2.gz CYAARNLETKHLAR-UHFFFAOYSA-N 0 0 326.234 3.982 10 30 EHEERN O=C(Nc1cc(F)ccc1OCC1CC1)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000330152574 1018409148 /nfs/dbraw/zinc/40/91/48/1018409148.db2.gz MDEHGWCYXPFIIL-RHSMWYFYSA-N 0 0 334.391 3.508 10 30 EHEERN O=C(Nc1cc(F)ccc1OCC1CC1)N[C@@H]1CCO[C@H]1C1CC1 ZINC000330152571 1018409465 /nfs/dbraw/zinc/40/94/65/1018409465.db2.gz MDEHGWCYXPFIIL-PBHICJAKSA-N 0 0 334.391 3.508 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H]1C[C@@H]1C1CCCCC1)CCC2 ZINC000328660007 1022455689 /nfs/dbraw/zinc/45/56/89/1022455689.db2.gz UOSGWECFGGCPKM-GVDBMIGSSA-N 0 0 330.476 3.541 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@@H]1C1CCCC1)CCC2 ZINC000328736391 1022476249 /nfs/dbraw/zinc/47/62/49/1022476249.db2.gz ZMCASPXQXCYEPR-DLBZAZTESA-N 0 0 330.476 3.638 10 30 EHEERN C[C@H](C1CCCCC1)N(C)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000328762104 1022482740 /nfs/dbraw/zinc/48/27/40/1022482740.db2.gz YNPXJSLPVURSDA-NXHRZFHOSA-N 0 0 349.519 3.592 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@@H](C(C)C)CC1)CCC2 ZINC000328728002 1022487659 /nfs/dbraw/zinc/48/76/59/1022487659.db2.gz VJYMZXKCCVTGNL-SJORKVTESA-N 0 0 332.492 3.741 10 30 EHEERN O=C(N[C@@H]1CCCc2occc21)N1CCC(c2nccs2)CC1 ZINC000328786054 1022499647 /nfs/dbraw/zinc/49/96/47/1022499647.db2.gz WKBJHBVBUPSBEF-CQSZACIVSA-N 0 0 331.441 3.907 10 30 EHEERN CC(C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)CC1 ZINC000328892904 1022529364 /nfs/dbraw/zinc/52/93/64/1022529364.db2.gz UEVJCFZSKITCDG-PMPSAXMXSA-N 0 0 341.517 3.763 10 30 EHEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000328967076 1022556033 /nfs/dbraw/zinc/55/60/33/1022556033.db2.gz NFKNDFDSMZDETA-FIDHJVLJSA-N 0 0 331.460 3.813 10 30 EHEERN C[C@H](CC1CCCC1)C(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000329991226 1024279402 /nfs/dbraw/zinc/27/94/02/1024279402.db2.gz WTERNUKFAFBIKL-KBMXLJTQSA-N 0 0 334.439 3.566 10 30 EHEERN O=C(N[C@H]1CCOC2(CCCCC2)C1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330080517 1024311439 /nfs/dbraw/zinc/31/14/39/1024311439.db2.gz JJZGSESGOANORO-OKZBNKHCSA-N 0 0 344.455 3.998 10 30 EHEERN Cn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)[C@@H]2CCCC(C)(C)C2)cn1 ZINC000330150438 1024336757 /nfs/dbraw/zinc/33/67/57/1024336757.db2.gz KTQNDAVZFKEHPT-XPKDYRNWSA-N 0 0 332.448 3.753 10 30 EHEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)cn1 ZINC000330341736 1025024712 /nfs/dbraw/zinc/02/47/12/1025024712.db2.gz ZQWYCYPXCDVMOL-ZJPYXAASSA-N 0 0 349.475 3.531 10 30 EHEERN COc1ccccc1[C@H]1CCC[C@@H](C)N1CC(=O)NC[C@H]1CCCO1 ZINC000329084330 1025593483 /nfs/dbraw/zinc/59/34/83/1025593483.db2.gz TWIOOKJGKHAVHZ-JFIYKMOQSA-N 0 0 346.471 3.746 10 30 EHEERN C[C@@H]1Oc2ccc(NC(=O)C[C@@H]3CCCCC(=O)N3)cc2NC1=O ZINC000329274091 1025714087 /nfs/dbraw/zinc/71/40/87/1025714087.db2.gz KHHXIOFUFXUMMN-QWRGUYRKSA-N 0 0 331.372 3.933 10 30 EHEERN N#Cc1cccnc1-n1cc(N[C@@H](Cc2ccccc2)C2CC2)cn1 ZINC000186026847 1026127076 /nfs/dbraw/zinc/12/70/76/1026127076.db2.gz GNCUXVAGIFLVJA-IBGZPJMESA-N 0 0 329.407 3.572 10 30 EHEERN N#C[C@@H]1CCC[C@H]1NCC(=O)N(c1ccccc1)C1CCCCC1 ZINC000333621028 1027150668 /nfs/dbraw/zinc/15/06/68/1027150668.db2.gz POFAUQFAHOXSNW-QFBILLFUSA-N 0 0 325.456 3.634 10 30 EHEERN N#C[C@@H]1CCC[C@H]1NCC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000333559368 1027303520 /nfs/dbraw/zinc/30/35/20/1027303520.db2.gz GUKPJCBRPNXIMO-ZVDOUQERSA-N 0 0 339.483 3.706 10 30 EHEERN CC(=O)Nc1ccc(C(C)=NOCc2ccc(C#N)c(F)c2)cc1 ZINC000588581485 1030575667 /nfs/dbraw/zinc/57/56/67/1030575667.db2.gz MVUAEHIKFRCUPF-UHFFFAOYSA-N 0 0 325.343 3.597 10 30 EHEERN N#CCCCCNC(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000171361097 1030755200 /nfs/dbraw/zinc/75/52/00/1030755200.db2.gz XEEROLHFISCBSN-UHFFFAOYSA-N 0 0 325.416 3.578 10 30 EHEERN C=CCOc1ccccc1C(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000171723801 1030811458 /nfs/dbraw/zinc/81/14/58/1030811458.db2.gz ABRSJFDZKUVZCQ-CQSZACIVSA-N 0 0 328.437 3.728 10 30 EHEERN CC(C)n1cnnc1-c1ccccc1NC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000329525465 1031037241 /nfs/dbraw/zinc/03/72/41/1031037241.db2.gz SQMXUPBDARRRHV-UKRRQHHQSA-N 0 0 338.415 3.544 10 30 EHEERN CCc1nccn1[C@@H]1CCCN(C([O-])=[NH+][C@H](C)c2csc(C)n2)C1 ZINC000329661494 1031651526 /nfs/dbraw/zinc/65/15/26/1031651526.db2.gz IRLGREKYWIKKGT-TZMCWYRMSA-N 0 0 347.488 3.523 10 30 EHEERN C=CCN(Cc1cccc(NC(C)=O)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000101546988 1033771342 /nfs/dbraw/zinc/77/13/42/1033771342.db2.gz WMKRTZRTBMACSB-UHFFFAOYSA-N 0 0 339.395 3.741 10 30 EHEERN C=CC[C@@H](C(=O)NC1CCN(c2cccc(C)n2)CC1)c1ccccc1 ZINC000188065915 1035889170 /nfs/dbraw/zinc/88/91/70/1035889170.db2.gz UQAASEFQIYLFBQ-HXUWFJFHSA-N 0 0 349.478 3.835 10 30 EHEERN Cc1cccc2[nH]cc(CCNC(=O)CSc3ccc(C#N)cc3)c21 ZINC000103127487 1036823232 /nfs/dbraw/zinc/82/32/32/1036823232.db2.gz PPGWCMTUMFAEBT-UHFFFAOYSA-N 0 0 349.459 3.799 10 30 EHEERN Cc1ccc(C(=O)N2CC[C@H]3CCC[C@@H]32)cc1NC(=O)NC(C)(C)C ZINC000330237318 1040170130 /nfs/dbraw/zinc/17/01/30/1040170130.db2.gz HOVZEPYFKPTVNP-PBHICJAKSA-N 0 0 343.471 3.943 10 30 EHEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000408164110 1041999696 /nfs/dbraw/zinc/99/96/96/1041999696.db2.gz GMRQVDKXTPHTQN-UKRRQHHQSA-N 0 0 341.411 3.932 10 30 EHEERN N#Cc1ccc(Cl)cc1N1CCC(c2noc(C3CC3)n2)CC1 ZINC000302154222 1128623116 /nfs/dbraw/zinc/62/31/16/1128623116.db2.gz DBUFXRGURLEOLY-UHFFFAOYSA-N 0 0 328.803 3.856 10 30 EHEERN CC(C)(C(=O)[C@@H](C#N)c1ccccn1)c1cccc(Br)c1 ZINC000102595588 1135594927 /nfs/dbraw/zinc/59/49/27/1135594927.db2.gz SYKKXBBHTWFALY-AWEZNQCLSA-N 0 0 343.224 3.998 10 30 EHEERN N#Cc1ccc(SCC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000103066919 1137875089 /nfs/dbraw/zinc/87/50/89/1137875089.db2.gz UUOOUMGCHIGDJE-CHWSQXEVSA-N 0 0 342.386 3.888 10 30 EHEERN CC(C)CCN(CCC#N)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000103440248 1137876407 /nfs/dbraw/zinc/87/64/07/1137876407.db2.gz BFKGPZIGYKQAFI-CRAIPNDOSA-N 0 0 341.455 3.683 10 30 EHEERN CCCN(CCc1ccccn1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000105036998 1137880013 /nfs/dbraw/zinc/88/00/13/1137880013.db2.gz IFAGDSQIJWCJIL-UHFFFAOYSA-N 0 0 326.375 3.579 10 30 EHEERN FC(F)(F)OC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F ZINC000100512362 219101101 /nfs/dbraw/zinc/10/11/01/219101101.db2.gz BYUOYHBBXCQDJS-UHFFFAOYSA-N 0 0 336.028 3.812 10 30 EHEERN N#CC1(NC(=O)c2ccc(Br)o2)CCCCCCC1 ZINC000040222044 213281956 /nfs/dbraw/zinc/28/19/56/213281956.db2.gz ZCNDOWUDRSJMCP-UHFFFAOYSA-N 0 0 325.206 3.779 10 30 EHEERN N#Cc1ccc(NC(=O)c2ccc(Cl)nc2)c(Br)c1 ZINC000037982050 213180869 /nfs/dbraw/zinc/18/08/69/213180869.db2.gz QGOJYVKOTIYRHM-UHFFFAOYSA-N 0 0 336.576 3.621 10 30 EHEERN C/C(=N\O)c1cccc(NC(=O)c2ccccc2Br)c1 ZINC000019431773 212026840 /nfs/dbraw/zinc/02/68/40/212026840.db2.gz CPOHIOUOJBFNLC-VCHYOVAHSA-N 0 0 333.185 3.900 10 30 EHEERN O=[N+]([O-])c1ccccc1/C=N/OCc1ccc(Br)cc1 ZINC000009453316 211085476 /nfs/dbraw/zinc/08/54/76/211085476.db2.gz YZOYASPKUNYTEW-CXUHLZMHSA-N 0 0 335.157 3.908 10 30 EHEERN CCCCCOc1ccc(C=Nn2c(C)n[nH]c2=S)cc1OC ZINC000001915992 520250100 /nfs/dbraw/zinc/25/01/00/520250100.db2.gz AWYLNHGSMTYZRV-BOPFTXTBSA-N 0 0 334.445 3.709 10 30 EHEERN Cc1ccc2c(c1C(=O)CCC(C)(C)O)C(=O)C(=O)C(C(C)C)=C2 ZINC000014679560 526222089 /nfs/dbraw/zinc/22/20/89/526222089.db2.gz OCTDHGFZGVITEW-UHFFFAOYSA-N 0 0 328.408 3.534 10 30 biogenic EHEERN N#CCOc1ccccc1CNCc1cc(F)ccc1Br ZINC000038039114 526476546 /nfs/dbraw/zinc/47/65/46/526476546.db2.gz RBZGDZJAXMTOTA-UHFFFAOYSA-N 0 0 349.203 3.780 10 30 EHEERN C=CCN1/C(=N\c2ccccn2)SC[C@@]1(O)c1ccc(Cl)cc1 ZINC000005899027 563553489 /nfs/dbraw/zinc/55/34/89/563553489.db2.gz QZUNFZDBRFMVED-PBEQFFAXSA-N 0 0 345.855 3.803 10 30 EHEERN Cc1ccc(S(=O)(=O)O/N=C(/c2ccccc2)C(F)(F)F)cc1 ZINC000077319863 564134213 /nfs/dbraw/zinc/13/42/13/564134213.db2.gz GRMIFAAVNPCQDY-RGEXLXHISA-N 0 0 343.326 3.667 10 30 in-vitro EHEERN O=C(/C=C\c1ccncn1)Nc1cccc(C#Cc2ccccc2)c1 ZINC000588436336 1016730504 /nfs/dbraw/zinc/73/05/04/1016730504.db2.gz MKXGGWDLETWFSS-QXMHVHEDSA-N 0 0 325.371 3.528 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cc2sc(N3CCCC3)nc2s1 ZINC000330021234 1016841414 /nfs/dbraw/zinc/84/14/14/1016841414.db2.gz XNILTXLKYIKBIZ-QWRGUYRKSA-N 0 0 346.481 3.955 10 30 EHEERN Cc1nnc([C@H](C)NC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 ZINC000329777842 1032247658 /nfs/dbraw/zinc/24/76/58/1032247658.db2.gz KUAQXMZNQCZKJT-FXBDTBDDSA-N 0 0 336.383 3.532 10 30 EHEERN N#C[C@]1(C(=O)NC[C@@H]2CCCC[C@H]2C(F)(F)F)CC12CCCC2 ZINC000333533125 1019917732 /nfs/dbraw/zinc/91/77/32/1019917732.db2.gz JLILYKONSVUZBN-ZENOOKHLSA-N 0 0 328.378 3.945 10 30 EHEERN O=C(/C=C\c1cccc2cnccc12)c1cn(-c2ccccc2)nn1 ZINC000588423214 1021391766 /nfs/dbraw/zinc/39/17/66/1021391766.db2.gz PFHVXITZMCVYNW-KTKRTIGZSA-N 0 0 326.359 3.712 10 30 EHEERN N#C[C@@H]1CN([C@@H]2CCc3ccc(F)cc32)C[C@@]12C(=O)Nc1ccccc12 ZINC000328677399 1022464399 /nfs/dbraw/zinc/46/43/99/1022464399.db2.gz LZJZEQUYTZXZAR-YFZFPPMRSA-N 0 0 347.393 3.808 10 30 EHEERN CC(C)(C)[C@H](NC(=O)CN1CCC[C@H]2C(=O)NC[C@H]21)c1cccs1 ZINC000328688685 1022468564 /nfs/dbraw/zinc/46/85/64/1022468564.db2.gz BDGNZWQNTCYXLB-XJKCOSOUSA-N 0 0 349.500 3.843 10 30 EHEERN CC1(C)C[C@H](NC(=O)c2cn3c(n2)CCCC3)c2ccccc2O1 ZINC000328737309 1022475973 /nfs/dbraw/zinc/47/59/73/1022475973.db2.gz ZZHJGUDGAKSTIP-AWEZNQCLSA-N 0 0 325.412 3.826 10 30 EHEERN O=C(CCc1nc2ccccc2o1)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328736584 1022476737 /nfs/dbraw/zinc/47/67/37/1022476737.db2.gz JSNHOEJFYRJTHS-CQSZACIVSA-N 0 0 327.384 3.759 10 30 EHEERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NCCO[C@H]1CCCC[C@H]1C ZINC000328895152 1022528912 /nfs/dbraw/zinc/52/89/12/1022528912.db2.gz BEOAYPDVNNZKRJ-TVFCKZIOSA-N 0 0 345.487 3.706 10 30 EHEERN C[C@@H]1CC(CNC(=O)CCc2nnc(C3CCCC3)o2)C[C@@H](C)O1 ZINC000328923326 1022547477 /nfs/dbraw/zinc/54/74/77/1022547477.db2.gz NAWPWMAVYQDOSN-CHWSQXEVSA-N 0 0 335.448 3.820 10 30 EHEERN O=C(Cn1ccc2occc2c1=O)NC12CC3CC(CC(C3)C1)C2 ZINC000328923931 1022623524 /nfs/dbraw/zinc/62/35/24/1022623524.db2.gz NJQCTEOYZOWCGT-UHFFFAOYSA-N 0 0 326.396 3.520 10 30 EHEERN C=CCCCCCN(C)C(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000128727430 1023041020 /nfs/dbraw/zinc/04/10/20/1023041020.db2.gz HPODOVYVSQMGIU-MRXNPFEDSA-N 0 0 332.469 3.694 10 30 EHEERN CC[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329896800 1024240464 /nfs/dbraw/zinc/24/04/64/1024240464.db2.gz LBYJWQWRKAJKNQ-ILXRZTDVSA-N 0 0 333.476 3.657 10 30 EHEERN Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]32)c(OC[C@@H]2CCCO2)c1 ZINC000329912193 1024246675 /nfs/dbraw/zinc/24/66/75/1024246675.db2.gz BDZFBSRMWQYJGK-ZOBUZTSGSA-N 0 0 330.428 3.583 10 30 EHEERN Cc1cn2c(n1)[C@@H](CNC(=O)[C@H]1CCc3cc(C)ccc3O1)CCC2 ZINC000330016653 1024289598 /nfs/dbraw/zinc/28/95/98/1024289598.db2.gz PWUKQZTWVJXZRP-SJLPKXTDSA-N 0 0 339.439 3.728 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000330039601 1024298011 /nfs/dbraw/zinc/29/80/11/1024298011.db2.gz BAEXLNOPOFCVHV-CWIFOLKKSA-N 0 0 331.460 3.813 10 30 EHEERN Cc1nccc(NC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)n1 ZINC000330099297 1024316145 /nfs/dbraw/zinc/31/61/45/1024316145.db2.gz CXTILQRTUBZJRI-HNNXBMFYSA-N 0 0 338.411 3.948 10 30 EHEERN O=C(NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330096748 1024316879 /nfs/dbraw/zinc/31/68/79/1024316879.db2.gz XYRNEJSZCIESHD-UHZRXMQZSA-N 0 0 334.419 3.702 10 30 EHEERN CCCc1c(NC(=O)N2C[C@H]3CCC[C@@H]32)cnn1-c1ccc(F)cc1 ZINC000330259825 1024374910 /nfs/dbraw/zinc/37/49/10/1024374910.db2.gz SHAGEOLGBCTVCG-DYVFJYSZSA-N 0 0 342.418 3.994 10 30 EHEERN C=CCC(CC=C)C(=O)N1CC[C@@H](c2cc(OC)cc(OC)c2)C1 ZINC000151768472 1024581706 /nfs/dbraw/zinc/58/17/06/1024581706.db2.gz ZBGJRLRRXSIWGF-MRXNPFEDSA-N 0 0 329.440 3.788 10 30 EHEERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)CC2 ZINC000329182356 1025650978 /nfs/dbraw/zinc/65/09/78/1025650978.db2.gz OYTJNCCXMFYPSE-OWCLPIDISA-N 0 0 342.418 3.616 10 30 EHEERN COc1cc(C(=O)/C=C\c2ccc3c(c2)CCC(=O)N3C)ccc1F ZINC000588508886 1025656401 /nfs/dbraw/zinc/65/64/01/1025656401.db2.gz QYOIMXKIYJKYNE-WTKPLQERSA-N 0 0 339.366 3.639 10 30 EHEERN CC(C)[C@@H]1CCCN1C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329294432 1025728004 /nfs/dbraw/zinc/72/80/04/1025728004.db2.gz RZEQGTJROMSRCP-CABCVRRESA-N 0 0 332.492 3.530 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@H]2CCCc3ccccc32)no1 ZINC000329382288 1025797265 /nfs/dbraw/zinc/79/72/65/1025797265.db2.gz OCMGQTOWDZFSTL-HOTGVXAUSA-N 0 0 326.400 3.507 10 30 EHEERN C[C@H]1CC[C@H](NS(=O)(=O)CC2(C#N)CCCC2)c2ccccc21 ZINC000329495058 1025922567 /nfs/dbraw/zinc/92/25/67/1025922567.db2.gz FNFWZUGYPZICTE-YOEHRIQHSA-N 0 0 332.469 3.628 10 30 EHEERN CCc1nc(CCNC(=O)c2sc(C3CCCC3)nc2C)no1 ZINC000329611756 1026075297 /nfs/dbraw/zinc/07/52/97/1026075297.db2.gz JVWJNQOIBAEGDE-UHFFFAOYSA-N 0 0 334.445 3.602 10 30 EHEERN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)Cc1ccc(OCC#N)cc1 ZINC000247543270 1028799169 /nfs/dbraw/zinc/79/91/69/1028799169.db2.gz YEYDQXDSWWEEJY-LZJOCLMNSA-N 0 0 348.446 3.925 10 30 EHEERN Cc1nc(C[C@@H]2CCCN(C(=O)N[C@@H]3CCCC[C@@H]3C(C)C)C2)no1 ZINC000329204030 1030014318 /nfs/dbraw/zinc/01/43/18/1030014318.db2.gz WORUQZPIKVGOGM-GVDBMIGSSA-N 0 0 348.491 3.761 10 30 EHEERN C[C@H]1CC[C@H](NC(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329256677 1030136283 /nfs/dbraw/zinc/13/62/83/1030136283.db2.gz DSLQAUXCSHTXDL-KKUMJFAQSA-N 0 0 332.492 3.578 10 30 EHEERN N#CCOc1ccc(CC(=O)N2CC=C(c3cccs3)CC2)cc1 ZINC000117719744 1031840080 /nfs/dbraw/zinc/84/00/80/1031840080.db2.gz RVWFCIHCMILQGS-UHFFFAOYSA-N 0 0 338.432 3.509 10 30 EHEERN C=CC[C@@H](C(=O)N1CCO[C@H](c2ccc(C)o2)C1)c1ccccc1 ZINC000187219461 1035788809 /nfs/dbraw/zinc/78/88/09/1035788809.db2.gz AKYBSKIBWPVCCZ-MJGOQNOKSA-N 0 0 325.408 3.848 10 30 EHEERN CC1(C)CN(C(=O)c2cccc(SCC#N)c2)CC2(CCCC2)O1 ZINC000189376800 1036063794 /nfs/dbraw/zinc/06/37/94/1036063794.db2.gz QQFGFWCODFVQFV-UHFFFAOYSA-N 0 0 344.480 3.866 10 30 EHEERN N#C[C@H]1CCC[C@H]1NC(=O)NC1(c2ccc(F)cc2F)CCCC1 ZINC000332907396 1040187738 /nfs/dbraw/zinc/18/77/38/1040187738.db2.gz UGKUWPWDSDRPRH-MLGOLLRUSA-N 0 0 333.382 3.726 10 30 EHEERN O=C(Nc1cccc(C(=O)N2CC[C@H]3CCC[C@H]32)c1)c1cccnc1 ZINC000330292207 1042837660 /nfs/dbraw/zinc/83/76/60/1042837660.db2.gz DCLGQJIMDCXTSU-RDTXWAMCSA-N 0 0 335.407 3.733 10 30 EHEERN C[C@H](NC(=O)N1CC[C@H](O)C12CCCC2)c1ccc(F)c(Cl)c1 ZINC000330352971 1042983672 /nfs/dbraw/zinc/98/36/72/1042983672.db2.gz NXHQUHWKDIVVBT-NHYWBVRUSA-N 0 0 340.826 3.834 10 30 EHEERN Cc1nc([C@@H]2CCCN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)C2)sc1C ZINC000334107784 1138371637 /nfs/dbraw/zinc/37/16/37/1138371637.db2.gz ZHVGLMKRPRZOAQ-XHSDSOJGSA-N 0 0 346.500 3.731 10 30 EHEERN CCCCCCCCn1c(CCNC(=O)COC)nc2ccccc21 ZINC000102136241 219187221 /nfs/dbraw/zinc/18/72/21/219187221.db2.gz GRSDJUALIQJTBU-UHFFFAOYSA-N 0 0 345.487 3.702 10 30 EHEERN CC1(C)CC(=O)C2=C(C1)NC(c1cccnc1)=N[C@H]2c1ccccc1 ZINC000045389519 213732512 /nfs/dbraw/zinc/73/25/12/213732512.db2.gz BWTXNKIBUSJHNK-IBGZPJMESA-N 0 0 331.419 3.816 10 30 EHEERN C/C(=N\O)c1cccc(NC(=O)c2ccc(Br)cc2)c1 ZINC000019478066 212031274 /nfs/dbraw/zinc/03/12/74/212031274.db2.gz RBMWJRRLFKYNRM-VCHYOVAHSA-N 0 0 333.185 3.900 10 30 EHEERN N#Cc1ccc(NC(=O)/C=C/c2ccccc2Br)cc1 ZINC000014908439 211772095 /nfs/dbraw/zinc/77/20/95/211772095.db2.gz JZZHPFXABCDRFY-JXMROGBWSA-N 0 0 327.181 3.973 10 30 EHEERN CC(=NNc1nc2ccccc2[nH]1)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000005070725 210382633 /nfs/dbraw/zinc/38/26/33/210382633.db2.gz RHWSAAQYXBOQDH-DJKKODMXSA-N 0 0 329.747 3.961 10 30 EHEERN N#Cc1ccc2[nH]c(CN3CCN(c4ccc(F)cc4)CC3)cc2c1 ZINC000053219044 132186593 /nfs/dbraw/zinc/18/65/93/132186593.db2.gz VEYSGMPQWOSGTB-UHFFFAOYSA-N 0 0 334.398 3.501 10 30 EHEERN CC[C@H](SC)C(=O)N[C@@H](c1nc(C(C)C)no1)C1CCOCC1 ZINC000328611436 522901976 /nfs/dbraw/zinc/90/19/76/522901976.db2.gz LOYFSQCUQIKPFC-QWHCGFSZSA-N 0 0 341.477 3.759 10 30 EHEERN O=S(=O)(c1ccc(/N=C/c2cccs2)cc1)N1CCCCC1 ZINC000100039188 527269538 /nfs/dbraw/zinc/26/95/38/527269538.db2.gz DCNNVANEONZHHN-GHRIWEEISA-N 0 0 334.466 3.673 10 30 EHEERN Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)N[C@@H](C)c1cccs1 ZINC000328610668 564136869 /nfs/dbraw/zinc/13/68/69/564136869.db2.gz ISISUKJVSLVASJ-NKFCBESUSA-N 0 0 333.457 3.894 10 30 EHEERN CC(=O)N[C@H](c1nc(CCCc2ccccc2)no1)C1CCOCC1 ZINC000328618708 564136941 /nfs/dbraw/zinc/13/69/41/564136941.db2.gz DYMBWCVITNWTMG-SFHVURJKSA-N 0 0 343.427 3.689 10 30 EHEERN Cc1c(C(=O)/C=C\c2ccc3c(c2)sc(=O)n3C)cnn1C(C)C ZINC000588598478 1032448630 /nfs/dbraw/zinc/44/86/30/1032448630.db2.gz FVFGXUMAOOSHCN-VURMDHGXSA-N 0 0 341.436 3.582 10 30 EHEERN Cn1c(=O)sc2cc(/C=C3\Cc4cc(F)ccc4C3=O)ccc21 ZINC000588598737 1032450984 /nfs/dbraw/zinc/45/09/84/1032450984.db2.gz XTJROCGCYHFQJF-WUXMJOGZSA-N 0 0 325.364 3.562 10 30 EHEERN Cc1c(Cl)cnc(N2CCC[C@@H]2c2nc3c([nH]2)CCCC3)c1C#N ZINC000275714599 1018232675 /nfs/dbraw/zinc/23/26/75/1018232675.db2.gz SQNBPLDGLUNPNF-MRXNPFEDSA-N 0 0 341.846 3.859 10 30 EHEERN N#Cc1ccc(NS(=O)(=O)/C=C\c2ccc(F)cc2)cc1Cl ZINC000588395406 1020283558 /nfs/dbraw/zinc/28/35/58/1020283558.db2.gz MBOUFZRUJXLIJM-FPLPWBNLSA-N 0 0 336.775 3.763 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H]1CCCc3ccccc31)CCC2 ZINC000328653279 1022454267 /nfs/dbraw/zinc/45/42/67/1022454267.db2.gz KYNXRQPXYZZFRX-FUHWJXTLSA-N 0 0 338.455 3.650 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@H](C)c1cccc(C)c1C)CCC2 ZINC000328728284 1022488053 /nfs/dbraw/zinc/48/80/53/1022488053.db2.gz VMUGZZSXAVNKFO-SJORKVTESA-N 0 0 340.471 3.951 10 30 EHEERN C[C@H](CC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1)NC(=O)C1CCCC1 ZINC000328903281 1022520951 /nfs/dbraw/zinc/52/09/51/1022520951.db2.gz HREGQMLUGBAZSQ-JDSLSITLSA-N 0 0 335.448 3.766 10 30 EHEERN C[C@H]1OCC[C@@H]1NC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000328934917 1022705233 /nfs/dbraw/zinc/70/52/33/1022705233.db2.gz FJMBNLKDORREMO-YPMHNXCESA-N 0 0 331.416 3.729 10 30 EHEERN C=CCOc1ccc(/C=C\C(=O)OC2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000588448935 1022905275 /nfs/dbraw/zinc/90/52/75/1022905275.db2.gz ALLJSKAXKKCNSH-NWBWQZAHSA-N 0 0 346.423 3.772 10 30 EHEERN COCCOc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2C)cc1 ZINC000588450066 1022966323 /nfs/dbraw/zinc/96/63/23/1022966323.db2.gz KSIUFJPBDOBSBQ-POHAHGRESA-N 0 0 341.363 3.825 10 30 EHEERN Cc1csc([C@@H]2CCCN(C(=O)CNC(=O)C3CCCCC3)C2)n1 ZINC000329684998 1024066879 /nfs/dbraw/zinc/06/68/79/1024066879.db2.gz YJEBDBRHARZFPU-OAHLLOKOSA-N 0 0 349.500 3.694 10 30 EHEERN Cc1cc(Cl)cnc1NC(=O)N1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000329768213 1024185414 /nfs/dbraw/zinc/18/54/14/1024185414.db2.gz GHKHUUHYMXOABB-ZIAGYGMSSA-N 0 0 335.835 3.622 10 30 EHEERN O=C(C[C@H]1CCCCNC1=O)Nc1ccccc1O[C@H]1CCOC1 ZINC000329812340 1024205870 /nfs/dbraw/zinc/20/58/70/1024205870.db2.gz CHNUQPRUKUZUIY-KGLIPLIRSA-N 0 0 332.400 3.589 10 30 EHEERN O=C(NC1CCC2(CCCCC2)CC1)N1CCc2cncnc2C1 ZINC000329867762 1024226822 /nfs/dbraw/zinc/22/68/22/1024226822.db2.gz WMZSYRCKFGHBKR-UHFFFAOYSA-N 0 0 328.460 3.642 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)NCC[C@@H]2CCO[C@H](C)C2)cs1 ZINC000330197753 1024349577 /nfs/dbraw/zinc/34/95/77/1024349577.db2.gz SFNNKRBDFWFHOC-XPKDYRNWSA-N 0 0 337.489 3.708 10 30 EHEERN CC(C)(C#N)c1ccc(NC(=O)N2CC[C@@H]3OCCC[C@H]3C2)cc1 ZINC000121607217 1025610607 /nfs/dbraw/zinc/61/06/07/1025610607.db2.gz COLGDQZSUYXLPC-YOEHRIQHSA-N 0 0 327.428 3.521 10 30 EHEERN CC1CCC(N(C)C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329287908 1025722949 /nfs/dbraw/zinc/72/29/49/1025722949.db2.gz PUXKEKTVZRKMAD-PCKAHOCUSA-N 0 0 346.519 3.920 10 30 EHEERN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000329508250 1025936569 /nfs/dbraw/zinc/93/65/69/1025936569.db2.gz XBHIRKFLHHAPAP-FIDHJVLJSA-N 0 0 341.517 3.905 10 30 EHEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1cc(F)ccc1F ZINC000186011592 1025944666 /nfs/dbraw/zinc/94/46/66/1025944666.db2.gz ZCAUXXXRFQCIKX-NSHDSACASA-N 0 0 325.322 3.590 10 30 EHEERN C[C@@H](Oc1ccccc1C#N)c1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 ZINC000190376333 1027505539 /nfs/dbraw/zinc/50/55/39/1027505539.db2.gz PWCRPUAJSHUMBI-INWMFGNUSA-N 0 0 341.411 4.000 10 30 EHEERN CCn1nc(NC(=O)N[C@H]2CCCc3cc(F)ccc32)cc1C1CC1 ZINC000329135668 1029864606 /nfs/dbraw/zinc/86/46/06/1029864606.db2.gz QQIWLHWJBWKAED-INIZCTEOSA-N 0 0 342.418 3.745 10 30 EHEERN C=C[C@H](CC(=O)N1CCO[C@@H](c2ccc(C)o2)C1)c1ccccc1 ZINC000179561176 1031786565 /nfs/dbraw/zinc/78/65/65/1031786565.db2.gz RZCGPPCKYLDFJG-VQIMIIECSA-N 0 0 325.408 3.848 10 30 EHEERN C=CCC1(C(=O)Oc2ccc(/C=C\C(=O)OC)cc2OC)CCC1 ZINC000588588184 1031821642 /nfs/dbraw/zinc/82/16/42/1031821642.db2.gz BEIXBNUFYCXKPL-CLFYSBASSA-N 0 0 330.380 3.533 10 30 EHEERN C=C[C@H](CC(=O)N1CCC(Nc2nccs2)CC1)c1ccccc1 ZINC000190419746 1036238539 /nfs/dbraw/zinc/23/85/39/1036238539.db2.gz ZSLJQILASREDPQ-OAHLLOKOSA-N 0 0 341.480 3.906 10 30 EHEERN O=C(NC1CCC(C(F)(F)F)CC1)N[C@@H]1CCOC2(CCC2)C1 ZINC000330216313 1038791478 /nfs/dbraw/zinc/79/14/78/1038791478.db2.gz NAKLDWBCHKECIX-WXRRBKDZSA-N 0 0 334.382 3.713 10 30 EHEERN Cc1cc(F)cc2c1ncc(C#N)c2N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000301729747 1041851324 /nfs/dbraw/zinc/85/13/24/1041851324.db2.gz WUZWERFMMGEDPQ-MGPUTAFESA-N 0 0 339.414 3.685 10 30 EHEERN O=C(NC[C@@H]1CCCC[C@@H]1O)N[C@H]1CCCc2sc(Cl)cc21 ZINC000330270706 1042767416 /nfs/dbraw/zinc/76/74/16/1042767416.db2.gz UQZCILQKHTZRIV-DRZSPHRISA-N 0 0 342.892 3.834 10 30 EHEERN Cc1cc(NC(=O)N[C@@H]2CCC[C@H]2C#N)cnc1N1CCCC[C@H]1C ZINC000408238731 1042828184 /nfs/dbraw/zinc/82/81/84/1042828184.db2.gz YLBCPXWIGDWKNT-HLLBOEOZSA-N 0 0 341.459 3.583 10 30 EHEERN O=C(Nc1cccc(C(=O)N2CC[C@H]3CCC[C@@H]32)c1)c1cccnc1 ZINC000330292205 1042837400 /nfs/dbraw/zinc/83/74/00/1042837400.db2.gz DCLGQJIMDCXTSU-KDOFPFPSSA-N 0 0 335.407 3.733 10 30 EHEERN Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]2C#N)cc(C)c1Br ZINC000408367217 1043832811 /nfs/dbraw/zinc/83/28/11/1043832811.db2.gz SFDKMEWSIWCYKY-DGCLKSJQSA-N 0 0 336.233 3.880 10 30 EHEERN COc1cccc2c1OC/C(=C\c1ccc(O[C@H](C)C#N)cc1)C2=O ZINC000103250621 1132775803 /nfs/dbraw/zinc/77/58/03/1132775803.db2.gz BSWNWZNKJKFNPZ-QQFZQELXSA-N 0 0 335.359 3.645 10 30 EHEERN C#Cc1cccc(N(Cc2ccco2)C(=O)[C@@H](C)n2nc(C)cc2C)c1 ZINC000102858192 1135676309 /nfs/dbraw/zinc/67/63/09/1135676309.db2.gz PNXCSXWDOYWJPF-QGZVFWFLSA-N 0 0 347.418 3.869 10 30 EHEERN C#CC[C@H](OC(=O)c1ccc(OCC)c(OCC)c1)c1ccccn1 ZINC000105549389 1135953176 /nfs/dbraw/zinc/95/31/76/1135953176.db2.gz OWUDPJPWXUWSMP-KRWDZBQOSA-N 0 0 339.391 3.800 10 30 EHEERN CC(=O)N(C)c1ccc(/N=C/c2cc(Br)ccc2O)cc1 ZINC000100031336 219088777 /nfs/dbraw/zinc/08/87/77/219088777.db2.gz ACJLYGYJJNIQHE-VCHYOVAHSA-N 0 0 347.212 3.888 10 30 EHEERN C=CCNc1ncnc(Nc2cccc3nc(C)ccc32)c1[N+](=O)[O-] ZINC000040599069 213358362 /nfs/dbraw/zinc/35/83/62/213358362.db2.gz YBYLFWMZADIXTD-UHFFFAOYSA-N 0 0 336.355 3.583 10 30 EHEERN COc1ccc(C(=O)/C=C/c2ccc(N(C)C)cc2)c(OC)c1OC ZINC000026147056 212507862 /nfs/dbraw/zinc/50/78/62/212507862.db2.gz JAUIRHADPPXRBC-XYOKQWHBSA-N 0 0 341.407 3.675 10 30 EHEERN O=C(Nc1ccccc1)C(Br)=NNc1ccc(F)cc1 ZINC000022130351 212277819 /nfs/dbraw/zinc/27/78/19/212277819.db2.gz VWTVYYQAIDHGSB-CPNJWEJPSA-N 0 0 336.164 3.585 10 30 EHEERN N#CCc1ccc(OCC(=O)Nc2cccc(Br)c2)cc1 ZINC000019478088 212031085 /nfs/dbraw/zinc/03/10/85/212031085.db2.gz RYSGTVUDWOGCQL-UHFFFAOYSA-N 0 0 345.196 3.533 10 30 EHEERN C=CCN1C(=O)/C(=C\c2ccc(C)o2)S/C1=N/c1nnc(C)s1 ZINC000005214990 210415733 /nfs/dbraw/zinc/41/57/33/210415733.db2.gz QKHBBTXEYAZNGE-IYUYZANJSA-N 0 0 346.437 3.538 10 30 EHEERN O=C(NC1CC(c2cccc(Cl)c2)C1)N[C@H]1CCCc2c[nH]nc21 ZINC000330154089 1018445013 /nfs/dbraw/zinc/44/50/13/1018445013.db2.gz NFDCABGBYFYNCF-BCLQGDPASA-N 0 0 344.846 3.890 10 30 EHEERN Cc1ccc(C#N)cc1NC(=O)N1Cc2ccccc2N(C)C[C@H]1C ZINC000083560541 1019314214 /nfs/dbraw/zinc/31/42/14/1019314214.db2.gz ZITCXRSBIKFPGG-OAHLLOKOSA-N 0 0 334.423 3.739 10 30 EHEERN Cc1nc2ccccc2n1C[C@@H]1CCCN1C(=O)N[C@@H]1CC1(C)C ZINC000328751590 1020047103 /nfs/dbraw/zinc/04/71/03/1020047103.db2.gz CMGNUMKEGMKIBJ-WMLDXEAASA-N 0 0 326.444 3.522 10 30 EHEERN N#Cc1ccc2ncc(CN3CC=C(c4ccccc4F)CC3)n2c1 ZINC000137024463 1020634355 /nfs/dbraw/zinc/63/43/55/1020634355.db2.gz DCHBTIPWJWVXNX-UHFFFAOYSA-N 0 0 332.382 3.634 10 30 EHEERN COc1cc(Br)ccc1/C=C\C(=O)c1cc(O)cc(O)c1 ZINC000588419190 1021180802 /nfs/dbraw/zinc/18/08/02/1021180802.db2.gz FWAVPINZLKUJCF-HYXAFXHYSA-N 0 0 349.180 3.765 10 30 EHEERN COc1cc(Br)ccc1/C=C\C(=O)c1cncc(F)c1 ZINC000588419332 1021185850 /nfs/dbraw/zinc/18/58/50/1021185850.db2.gz SRSCUIAMJXGVDX-HYXAFXHYSA-N 0 0 336.160 3.888 10 30 EHEERN O=C(NC[C@@H]1CCCn2ccnc21)N1CCC[C@H]1c1cccs1 ZINC000328623062 1022451505 /nfs/dbraw/zinc/45/15/05/1022451505.db2.gz YQGQEBYSFVTSEW-KBPBESRZSA-N 0 0 330.457 3.573 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@@]3(CC=CCC3)C1)CCC2 ZINC000328722317 1022463783 /nfs/dbraw/zinc/46/37/83/1022463783.db2.gz RUJYPHPBLIOORC-PXNSSMCTSA-N 0 0 342.487 3.805 10 30 EHEERN C[C@]1(NC(=O)N[C@@H]2CCC(=O)NC23CCC3)CCCc2ccccc21 ZINC000328685435 1022465575 /nfs/dbraw/zinc/46/55/75/1022465575.db2.gz FPPROEHZEMEHSJ-APWZRJJASA-N 0 0 341.455 3.783 10 30 EHEERN O=C(NCc1csc2ccccc12)N[C@H]1CCC(=O)NC12CCC2 ZINC000328761285 1022482531 /nfs/dbraw/zinc/48/25/31/1022482531.db2.gz YCUDSGAJVBTUKD-HNNXBMFYSA-N 0 0 343.452 3.947 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CC(=O)Nc3ccccc31)CCC2 ZINC000328832305 1022508777 /nfs/dbraw/zinc/50/87/77/1022508777.db2.gz RNDMHHQRZHKUOG-DZGCQCFKSA-N 0 0 338.411 3.801 10 30 EHEERN CC(C)c1ccc2c(c1)[C@@H](NC(=O)N[C@@H]1CCCNC1=O)CCC2 ZINC000328943627 1022751224 /nfs/dbraw/zinc/75/12/24/1022751224.db2.gz ULDKQDGBLPYVIM-DLBZAZTESA-N 0 0 329.444 3.810 10 30 EHEERN COc1ccc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2C)cc1OC ZINC000588450092 1022954384 /nfs/dbraw/zinc/95/43/84/1022954384.db2.gz RAFZROREAVLQSL-YVMONPNESA-N 0 0 327.336 3.817 10 30 EHEERN CCn1cc(C2CCN(C(=O)N[C@@H](C)c3csc(C)n3)CC2)cn1 ZINC000329836961 1033151738 /nfs/dbraw/zinc/15/17/38/1033151738.db2.gz LXZQOHVDIRXBOR-LBPRGKRZSA-N 0 0 347.488 3.523 10 30 EHEERN CCCc1c(NC(=O)N2C[C@H]3CCC[C@H]32)cnn1-c1cccc(F)c1 ZINC000329751307 1024177850 /nfs/dbraw/zinc/17/78/50/1024177850.db2.gz IUCAPNQPLZNMMY-CXAGYDPISA-N 0 0 342.418 3.994 10 30 EHEERN Cc1cn2c(n1)[C@@H](CNC(=O)N[C@H](C)CC1CCCCC1)CCC2 ZINC000330269389 1024442373 /nfs/dbraw/zinc/44/23/73/1024442373.db2.gz RZCHYOZJBZBUMJ-RHSMWYFYSA-N 0 0 332.492 3.931 10 30 EHEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@H]2CSc3ccccc32)cn1 ZINC000330341980 1025027332 /nfs/dbraw/zinc/02/73/32/1025027332.db2.gz ZZSHAVDWABSGGQ-YQQAZPJKSA-N 0 0 343.452 3.784 10 30 EHEERN Cc1noc([C@@H]2CCN(C(=O)N[C@@H]3CC[C@H](C)c4ccccc43)C2)n1 ZINC000329085391 1025595846 /nfs/dbraw/zinc/59/58/46/1025595846.db2.gz UGHJZBNQVRSDDI-DXCKQFNASA-N 0 0 340.427 3.720 10 30 EHEERN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NCc1ccc(C2CC2)cc1 ZINC000329141442 1025623686 /nfs/dbraw/zinc/62/36/86/1025623686.db2.gz UHTVSVJJZQETLC-IEBWSBKVSA-N 0 0 339.439 3.922 10 30 EHEERN Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)Nc1nccc2sccc21 ZINC000329143750 1025624847 /nfs/dbraw/zinc/62/48/47/1025624847.db2.gz VTUUBKHNRSTSRE-IUODEOHRSA-N 0 0 342.424 3.786 10 30 EHEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N[C@H]1CCCc2occc21 ZINC000329266695 1025704970 /nfs/dbraw/zinc/70/49/70/1025704970.db2.gz HNTRCOWILDODPF-WOSRLPQWSA-N 0 0 333.432 3.694 10 30 EHEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)NCC1(C)CCCC1)C2 ZINC000329286019 1025721925 /nfs/dbraw/zinc/72/19/25/1025721925.db2.gz PDJZABQDJDNCAB-AWEZNQCLSA-N 0 0 332.492 3.579 10 30 EHEERN N#Cc1cccnc1-n1cc(N[C@@H]2CCCOc3ccc(F)cc32)cn1 ZINC000186012420 1025939076 /nfs/dbraw/zinc/93/90/76/1025939076.db2.gz JHDCGQAAFAGGMQ-QGZVFWFLSA-N 0 0 349.369 3.604 10 30 EHEERN CC1(C)CC[C@H](NC(=O)N2CCc3cncnc3C2)c2ccccc21 ZINC000329287393 1030280096 /nfs/dbraw/zinc/28/00/96/1030280096.db2.gz PDVDAPSTYWZLND-KRWDZBQOSA-N 0 0 336.439 3.561 10 30 EHEERN Cc1cnn([C@H]2CCCN(C([O-])=[NH+]c3nc(C(C)(C)C)cs3)C2)c1 ZINC000329342269 1030461775 /nfs/dbraw/zinc/46/17/75/1030461775.db2.gz BVHXGOMLJZXDSP-ZDUSSCGKSA-N 0 0 347.488 3.828 10 30 EHEERN COc1cc(C=NOCc2ccc(C#N)c(F)c2)cc(Cl)c1OC ZINC000588581571 1030580208 /nfs/dbraw/zinc/58/02/08/1030580208.db2.gz VQJISWXBUPVWKK-UHFFFAOYSA-N 0 0 348.761 3.919 10 30 EHEERN C#CCCCCNC(=O)N1CCC(Oc2ccc(C)c(C)c2)CC1 ZINC000177235395 1031523647 /nfs/dbraw/zinc/52/36/47/1031523647.db2.gz UGPIFIPXBPOSSQ-UHFFFAOYSA-N 0 0 328.456 3.660 10 30 EHEERN O=C(N[C@@H]1CCC[C@H]1c1ccccc1)N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000329718528 1031945485 /nfs/dbraw/zinc/94/54/85/1031945485.db2.gz YXNAYGQBTNVXTH-MLHJIOFPSA-N 0 0 341.455 3.820 10 30 EHEERN C#CCOc1ccccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000188120023 1035900623 /nfs/dbraw/zinc/90/06/23/1035900623.db2.gz CINHOKAZIHFWAW-CQSZACIVSA-N 0 0 341.436 3.567 10 30 EHEERN C=C[C@@H](CC(=O)N1CCC(Nc2nccs2)CC1)c1ccccc1 ZINC000190419728 1036237695 /nfs/dbraw/zinc/23/76/95/1036237695.db2.gz ZSLJQILASREDPQ-HNNXBMFYSA-N 0 0 341.480 3.906 10 30 EHEERN CN(c1ccccc1NC(=O)N[C@H]1CCC[C@@H]1C#N)C1CCCC1 ZINC000332893727 1040178027 /nfs/dbraw/zinc/17/80/27/1040178027.db2.gz HQRVHEOZMMVWKB-ZBFHGGJFSA-N 0 0 326.444 3.879 10 30 EHEERN Cc1nc([C@H](C)NC(=O)NCc2ccn(C3CCCC3)n2)cs1 ZINC000330293417 1042838354 /nfs/dbraw/zinc/83/83/54/1042838354.db2.gz HTZFLUWTVKCOGP-NSHDSACASA-N 0 0 333.461 3.528 10 30 EHEERN N#Cc1cc(Cl)ccc1N1CCC(c2noc(C3CC3)n2)CC1 ZINC000302160631 1128623302 /nfs/dbraw/zinc/62/33/02/1128623302.db2.gz GWBQBRSHMVQIMS-UHFFFAOYSA-N 0 0 328.803 3.856 10 30 EHEERN C#Cc1cccc(N(C)C(=O)c2ccn(-c3cccc(Cl)c3)n2)c1 ZINC000103029934 1132609631 /nfs/dbraw/zinc/60/96/31/1132609631.db2.gz GSIZMDUUHUTWCJ-UHFFFAOYSA-N 0 0 335.794 3.784 10 30 EHEERN C=CCc1ccccc1OC(=O)CCN(Cc1ccccc1)C(C)=O ZINC000102117329 1135454944 /nfs/dbraw/zinc/45/49/44/1135454944.db2.gz WXQNOMCPCNIFEE-UHFFFAOYSA-N 0 0 337.419 3.759 10 30 EHEERN C=CCc1ccccc1OC(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000103637338 1137425673 /nfs/dbraw/zinc/42/56/73/1137425673.db2.gz JGRDTJIQIWRWJM-INIZCTEOSA-N 0 0 329.440 3.605 10 30 EHEERN N#Cc1cccc(OC2CCN(Cc3csc([N+](=O)[O-])c3)CC2)c1 ZINC000104712564 1137879261 /nfs/dbraw/zinc/87/92/61/1137879261.db2.gz RLXIEHQXNDRAQY-UHFFFAOYSA-N 0 0 343.408 3.571 10 30 EHEERN COc1ccccc1/C=C/C=N\c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000100315750 219096622 /nfs/dbraw/zinc/09/66/22/219096622.db2.gz SSSNDPJLLSIZBQ-QWEVZXGLSA-N 0 0 347.418 3.909 10 30 EHEERN O=C1/C(=N/c2ccc(Cl)cc2)c2ccccc2N1CN1CCCC1 ZINC000103758597 219324114 /nfs/dbraw/zinc/32/41/14/219324114.db2.gz ZOURJISQPKWYDD-DYTRJAOYSA-N 0 0 339.826 3.861 10 30 EHEERN COc1ccc(C2=CSC(/N=C/c3ccc(F)cc3)=NN2)cc1 ZINC000018023740 211977750 /nfs/dbraw/zinc/97/77/50/211977750.db2.gz JPYJRIQYPDCENN-VXLYETTFSA-N 0 0 327.384 3.859 10 30 EHEERN C#CCC(P(=O)(OCC)OCC)P(=O)(OCC)OCC ZINC000091252535 217986884 /nfs/dbraw/zinc/98/68/84/217986884.db2.gz SOYFRPJGNFZJEP-UHFFFAOYSA-N 0 0 326.266 3.868 10 30 EHEERN COc1ccc(NC(=S)N/N=C/c2c(C)[nH]c3ccccc32)cc1 ZINC000007858850 210858535 /nfs/dbraw/zinc/85/85/35/210858535.db2.gz KWHZQOLKVRAGNU-YBFXNURJSA-N 0 0 338.436 3.805 10 30 EHEERN COc1cccc(/C=N\n2cnnc2SCc2ccc(C)cc2)c1 ZINC000033289721 525777477 /nfs/dbraw/zinc/77/74/77/525777477.db2.gz UDVFDGFPKFMYHG-JAIQZWGSSA-N 0 0 338.436 3.770 10 30 EHEERN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1OCc1ccc(C#N)cc1 ZINC000261507172 534893860 /nfs/dbraw/zinc/89/38/60/534893860.db2.gz GFAPGVAJPAFWOK-IAGOWNOFSA-N 0 0 330.428 3.911 10 30 EHEERN C#C[C@H](C)Oc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl ZINC000000900677 560179657 /nfs/dbraw/zinc/17/96/57/560179657.db2.gz ONNQFZOZHDEENE-JTQLQIEISA-N 0 0 347.773 3.623 10 30 in-vitro EHEERN COc1cc(C=Nc2ccc(C(C)=O)cc2)c([N+](=O)[O-])cc1OC ZINC000003158546 563474838 /nfs/dbraw/zinc/47/48/38/563474838.db2.gz PFMPPTHUXWDXMG-VCHYOVAHSA-N 0 0 328.324 3.565 10 30 EHEERN O=C1C(=O)N(c2ccc(Cl)cc2)C/C1=C\c1ccc(Cl)cc1 ZINC000006221084 564130089 /nfs/dbraw/zinc/13/00/89/564130089.db2.gz XRJXOQYDIQSCEG-FMIVXFBMSA-N 0 0 332.186 3.993 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)NCc2cc(C#N)ccc2F)cs1 ZINC000186926882 1014608340 /nfs/dbraw/zinc/60/83/40/1014608340.db2.gz RWEIUEAFRBXVOR-INIZCTEOSA-N 0 0 344.415 3.509 10 30 EHEERN N#C[C@@H]1CCC[C@H]1NC(=O)N1CCn2c(cc3ccc(Cl)cc32)C1 ZINC000333308440 1019081979 /nfs/dbraw/zinc/08/19/79/1019081979.db2.gz MZXQVRRSWRIAFH-XJKSGUPXSA-N 0 0 342.830 3.512 10 30 EHEERN O=C(/C=C\c1cccc2cnccc12)c1ccc(N2CCOCC2)cc1 ZINC000588423297 1021401390 /nfs/dbraw/zinc/40/13/90/1021401390.db2.gz AFXOWEKCHJVYJV-TWGQIWQCSA-N 0 0 344.414 3.968 10 30 EHEERN O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328708457 1022472701 /nfs/dbraw/zinc/47/27/01/1022472701.db2.gz MHELAWQKZGSUAH-SXXASDTRSA-N 0 0 343.471 3.774 10 30 EHEERN C[C@@H]1Sc2ccc(C(=O)N[C@@H]3CCO[C@@H]3C3CC3)cc2NC1=O ZINC000328821831 1022496968 /nfs/dbraw/zinc/49/69/68/1022496968.db2.gz FZKIBSHUILNINB-TURKWSHLSA-N 0 0 332.425 3.641 10 30 EHEERN O=C(N[C@@H]1CCc2c[nH]nc2C1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000329871707 1024230435 /nfs/dbraw/zinc/23/04/35/1024230435.db2.gz CRADMFSDOXHKFJ-GRYCIOLGSA-N 0 0 333.794 3.820 10 30 EHEERN Cn1nccc1N1CCC[C@H](NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)C1 ZINC000329970493 1024270117 /nfs/dbraw/zinc/27/01/17/1024270117.db2.gz XEXZTADCQDAOKK-GVDBMIGSSA-N 0 0 330.476 3.562 10 30 EHEERN Cc1ccc(NC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)c2cccnc12 ZINC000330082633 1024311458 /nfs/dbraw/zinc/31/14/58/1024311458.db2.gz HDGMPSKIRZGBJC-RDTXWAMCSA-N 0 0 336.395 3.643 10 30 EHEERN C[C@]1(C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CCCNC1=O ZINC000330327919 1024787322 /nfs/dbraw/zinc/78/73/22/1024787322.db2.gz VTBYYMUTKFCUBF-RKVPGOIHSA-N 0 0 334.391 3.759 10 30 EHEERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329262795 1025704463 /nfs/dbraw/zinc/70/44/63/1025704463.db2.gz BMEVHSBFFSGUNE-ZACQAIPSSA-N 0 0 341.455 3.665 10 30 EHEERN Cc1ccc([C@@H](C)Nc2cnn(-c3ncccc3C#N)c2)cc1[N+](=O)[O-] ZINC000186011129 1025944788 /nfs/dbraw/zinc/94/47/88/1025944788.db2.gz UPMRQIXAROGBGY-CYBMUJFWSA-N 0 0 348.366 3.529 10 30 EHEERN N#Cc1cccnc1-n1cc(N[C@@H]2CSCCc3ccccc32)cn1 ZINC000186012798 1025947944 /nfs/dbraw/zinc/94/79/44/1025947944.db2.gz AMPVUANQFLIDLY-GOSISDBHSA-N 0 0 347.447 3.581 10 30 EHEERN O=C(CNC1(c2noc(C3CC3)n2)CCCC1)NC1CCCCC1 ZINC000329619390 1026081003 /nfs/dbraw/zinc/08/10/03/1026081003.db2.gz GKRMCINARDQXRN-UHFFFAOYSA-N 0 0 332.448 3.595 10 30 EHEERN C[C@@H](NC(=O)c1cccc(SCC#N)c1)[C@H]1COc2ccccc21 ZINC000128615168 1027457611 /nfs/dbraw/zinc/45/76/11/1027457611.db2.gz HMMVUDDUPHBIEU-CXAGYDPISA-N 0 0 338.432 3.597 10 30 EHEERN CCOc1cc2c(cc1/C=C\C(=O)O[C@H](CC)CC#N)O[C@@H](C)C2 ZINC000588558174 1028298842 /nfs/dbraw/zinc/29/88/42/1028298842.db2.gz PIBGVCVQUDMBND-SHFAOJGLSA-N 0 0 329.396 3.657 10 30 EHEERN Cc1ccc(NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(C)c1 ZINC000114564487 1029452897 /nfs/dbraw/zinc/45/28/97/1029452897.db2.gz NQWMYZUHQCJZDF-LJQANCHMSA-N 0 0 348.450 3.545 10 30 EHEERN C[C@@H](NC(=O)C1CCS(=O)(=O)CC1)c1ccc2ccccc2c1 ZINC000329199080 1029990980 /nfs/dbraw/zinc/99/09/80/1029990980.db2.gz UWQHWQULUXYSRX-CYBMUJFWSA-N 0 0 331.437 3.682 10 30 EHEERN C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329300270 1030340715 /nfs/dbraw/zinc/34/07/15/1030340715.db2.gz VICQUOFGNPSBEH-ILXRZTDVSA-N 0 0 332.492 3.578 10 30 EHEERN Cc1nnc2n1C[C@@H](CNC(=O)CC13CC4CC(CC(C4)C1)C3)CC2 ZINC000329354923 1030499288 /nfs/dbraw/zinc/49/92/88/1030499288.db2.gz YQYZDYBFTFXIKV-ZIUDEIKKSA-N 0 0 342.487 3.712 10 30 EHEERN N#Cc1ccccc1Cn1cccc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000249193807 1030797871 /nfs/dbraw/zinc/79/78/71/1030797871.db2.gz PNGXDUPFCFJTHG-NHCUHLMSSA-N 0 0 335.451 3.551 10 30 EHEERN Cc1ccc([C@@H](NC(=O)N2CCC(c3cc[nH]n3)CC2)C2CC2)cc1 ZINC000329857144 1033408431 /nfs/dbraw/zinc/40/84/31/1033408431.db2.gz VELFWZCTAHJLIO-LJQANCHMSA-N 0 0 338.455 3.963 10 30 EHEERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CCC[C@H](c2ccccc2)C1 ZINC000330183042 1038200360 /nfs/dbraw/zinc/20/03/60/1038200360.db2.gz PMEXCYPNWPUTRV-BBWFWOEESA-N 0 0 329.444 3.678 10 30 EHEERN O=C(Nc1cccc(N2CCCCC2=O)c1)N1CC[C@@H]2CCC[C@H]21 ZINC000330252392 1042569463 /nfs/dbraw/zinc/56/94/63/1042569463.db2.gz OHRFPCJUUZDYRK-WMLDXEAASA-N 0 0 327.428 3.623 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000330327484 1042901411 /nfs/dbraw/zinc/90/14/11/1042901411.db2.gz KYNXWTIEUCCVLA-YJBOKZPZSA-N 0 0 333.391 3.680 10 30 EHEERN Cc1cc(Br)c(F)cc1NC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000408297092 1042988889 /nfs/dbraw/zinc/98/88/89/1042988889.db2.gz FRPYNYCHLAJQDN-SKDRFNHKSA-N 0 0 340.196 3.710 10 30 EHEERN CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000100095791 219090518 /nfs/dbraw/zinc/09/05/18/219090518.db2.gz LHHVJWLMRQWALA-MOKGIYGOSA-N 0 0 341.794 3.825 10 30 EHEERN S=C(N/N=C/c1ccc(Cl)c(Cl)c1)N[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC000215685965 241139698 /nfs/dbraw/zinc/13/96/98/241139698.db2.gz QMBXKKQAQSNTDW-CHGUIBACSA-N 0 0 340.279 3.756 10 30 EHEERN CCOC(=O)c1ccc(-n2c(C#N)cc(C)c2Br)cc1 ZINC000079327919 217209831 /nfs/dbraw/zinc/20/98/31/217209831.db2.gz GWXCXWCSQXEEGL-UHFFFAOYSA-N 0 0 333.185 3.597 10 30 EHEERN COc1ccc(C[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000006411242 210630565 /nfs/dbraw/zinc/63/05/65/210630565.db2.gz SBMZSVIBRCQFRR-HNNXBMFYSA-N 0 0 327.380 3.571 10 30 EHEERN Oc1cccc(/C=N\n2cnnc2SCc2ccc(Cl)cc2)c1 ZINC000035347034 257838816 /nfs/dbraw/zinc/83/88/16/257838816.db2.gz AOPUXANGGNTIKC-OCKHKDLRSA-N 0 0 344.827 3.812 10 30 EHEERN CC(C)(C)c1nn(-c2ccc(Br)cn2)c(Cl)c1C#N ZINC000087847125 259085356 /nfs/dbraw/zinc/08/53/56/259085356.db2.gz ZOUOFSOGDWFIHU-UHFFFAOYSA-N 0 0 339.624 3.852 10 30 EHEERN CC(=O)C/N=C1\N=C(N(Cc2ccccc2)Cc2ccccc2)S1 ZINC000006820551 519359468 /nfs/dbraw/zinc/35/94/68/519359468.db2.gz BEFKOKFZRKOWJG-CZIZESTLSA-N 0 0 337.448 3.737 10 30 EHEERN COc1ccc(Cl)cc1CO/N=C/c1cccc(OC)c1OC ZINC000014341415 524210333 /nfs/dbraw/zinc/21/03/33/524210333.db2.gz QUTDKJOUSUEYIN-VXLYETTFSA-N 0 0 335.787 3.917 10 30 EHEERN O=C(N[C@@H]1CCN(c2ccccc2)C1)c1cnc([C@H]2CCCO2)s1 ZINC000328810219 1021569515 /nfs/dbraw/zinc/56/95/15/1021569515.db2.gz AMZGHILRULONAU-UKRRQHHQSA-N 0 0 343.452 3.578 10 30 EHEERN CCCCCCCCC(=O)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1 ZINC000164682015 1021833123 /nfs/dbraw/zinc/83/31/23/1021833123.db2.gz SFLGPFWYIHMLCS-AEFFLSMTSA-N 0 0 334.504 3.739 10 30 EHEERN CCc1nccn1[C@@H]1CCCN(c2cc(C#N)c3ccccc3n2)C1 ZINC000122915768 1022279747 /nfs/dbraw/zinc/27/97/47/1022279747.db2.gz JKIGBSZMEXOTFV-MRXNPFEDSA-N 0 0 331.423 3.707 10 30 EHEERN CC[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(C)cc1 ZINC000328876388 1022525894 /nfs/dbraw/zinc/52/58/94/1022525894.db2.gz KDOKGPRVXJOTSZ-LZLYRXPVSA-N 0 0 329.444 3.847 10 30 EHEERN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000328882401 1022526021 /nfs/dbraw/zinc/52/60/21/1022526021.db2.gz MSYGXJVXBYGWEK-TWILYEHCSA-N 0 0 341.455 3.676 10 30 EHEERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H](C#N)c1nc2ccccc2[nH]1 ZINC000588447599 1022815004 /nfs/dbraw/zinc/81/50/04/1022815004.db2.gz QQBMVYVQFXURHC-KUGGDMIFSA-N 0 0 346.346 3.751 10 30 EHEERN CS[C@@H]1CCCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000329707983 1024108634 /nfs/dbraw/zinc/10/86/34/1024108634.db2.gz LZEBIFWGWZRTFL-UMVBOHGHSA-N 0 0 341.521 3.652 10 30 EHEERN Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]32)cc1OCC1CCOCC1 ZINC000329920369 1024248411 /nfs/dbraw/zinc/24/84/11/1024248411.db2.gz GYYHFYOZLIDPOR-FUHWJXTLSA-N 0 0 344.455 3.830 10 30 EHEERN C[C@H](CC1CCCCC1)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000329942616 1024258679 /nfs/dbraw/zinc/25/86/79/1024258679.db2.gz HHWNDUIVAYLDJL-NVXWUHKLSA-N 0 0 332.492 3.952 10 30 EHEERN Cc1nc([C@H]2CCCN2C(=O)N[C@@H]2CCCc3ccc(F)cc32)no1 ZINC000329999335 1024281953 /nfs/dbraw/zinc/28/19/53/1024281953.db2.gz UONCHSDQQPPHGX-HZPDHXFCSA-N 0 0 344.390 3.646 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCCc3ccc(F)cc32)no1 ZINC000329999334 1024282065 /nfs/dbraw/zinc/28/20/65/1024282065.db2.gz UONCHSDQQPPHGX-CVEARBPZSA-N 0 0 344.390 3.646 10 30 EHEERN C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329067400 1025583452 /nfs/dbraw/zinc/58/34/52/1025583452.db2.gz WZDNCEWTRBPDBU-CLWVCHIJSA-N 0 0 346.475 3.660 10 30 EHEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CSC1(C)C ZINC000329136187 1025620643 /nfs/dbraw/zinc/62/06/43/1025620643.db2.gz QWROXTUDLNFUSB-BPLDGKMQSA-N 0 0 337.489 3.782 10 30 EHEERN CN(CC1CCCCC1)C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329187108 1025652177 /nfs/dbraw/zinc/65/21/77/1025652177.db2.gz BBODKOCROPGKDW-MRXNPFEDSA-N 0 0 346.519 3.922 10 30 EHEERN COc1ccc(O)cc1C(=O)/C=C\c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000588509150 1025670997 /nfs/dbraw/zinc/67/09/97/1025670997.db2.gz OXNKJQKCUVVEOM-UTCJRWHESA-N 0 0 333.727 3.859 10 30 EHEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)NC1CCCCCC1)C2 ZINC000329246260 1025692911 /nfs/dbraw/zinc/69/29/11/1025692911.db2.gz VQDYIIQASSIHGD-OAHLLOKOSA-N 0 0 332.492 3.722 10 30 EHEERN CCC(C)(C)C1CCC(NC(=O)N2CCc3cncnc3C2)CC1 ZINC000329271460 1025713012 /nfs/dbraw/zinc/71/30/12/1025713012.db2.gz IBVMOUCXBPKUJV-UHFFFAOYSA-N 0 0 330.476 3.744 10 30 EHEERN O=C(NC1CCC2(CCCCC2)CC1)N1CCC[C@H]1Cn1ccnn1 ZINC000329321267 1025754759 /nfs/dbraw/zinc/75/47/59/1025754759.db2.gz FDQUOJAQHSFILN-KRWDZBQOSA-N 0 0 345.491 3.550 10 30 EHEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC2C[C@@H]3CC1C[C@H](C2)C3 ZINC000329412986 1025820274 /nfs/dbraw/zinc/82/02/74/1025820274.db2.gz CKGFPYSDATUBKV-XJNDJFPOSA-N 0 0 347.503 3.945 10 30 EHEERN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329442633 1025855470 /nfs/dbraw/zinc/85/54/70/1025855470.db2.gz NIIFFWRZMFFUPQ-USXIJHARSA-N 0 0 343.471 3.708 10 30 EHEERN CCc1csc([C@H]2CCCN(C([O-])=[NH+]c3c(C)noc3C)C2)n1 ZINC000329557520 1026000262 /nfs/dbraw/zinc/00/02/62/1026000262.db2.gz QNDCPPXJBJTZEM-LBPRGKRZSA-N 0 0 334.445 3.735 10 30 EHEERN COc1ccc(C)cc1[C@@H](C)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186015932 1026086639 /nfs/dbraw/zinc/08/66/39/1026086639.db2.gz DXBCUQWJFCAODD-CQSZACIVSA-N 0 0 333.395 3.629 10 30 EHEERN C=C[C@@H](CC(=O)N[C@H](c1nnc(C)[nH]1)c1ccccc1)c1ccccc1 ZINC000128163185 1027400574 /nfs/dbraw/zinc/40/05/74/1027400574.db2.gz HJTFAFITFVIUPM-JXFKEZNVSA-N 0 0 346.434 3.679 10 30 EHEERN CC(C)c1nc([C@@H](C)Nc2cnn(-c3ncccc3C#N)c2)cs1 ZINC000186506238 1027403186 /nfs/dbraw/zinc/40/31/86/1027403186.db2.gz COXUQEJFDWHSGP-GFCCVEGCSA-N 0 0 338.440 3.892 10 30 EHEERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)c3cccc(CC#N)c3)C2)cc1 ZINC000078188301 1029240172 /nfs/dbraw/zinc/24/01/72/1029240172.db2.gz ZYRUXONCKJJJTQ-HNAYVOBHSA-N 0 0 334.419 3.779 10 30 EHEERN C=CCc1cc(CN2CCO[C@@H](c3ccc(C)o3)C2)cc(OC)c1O ZINC000093864776 1030687389 /nfs/dbraw/zinc/68/73/89/1030687389.db2.gz YDUAJBUPUHMPGL-LJQANCHMSA-N 0 0 343.423 3.604 10 30 EHEERN CCc1nc(CNC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)cs1 ZINC000329736346 1032034487 /nfs/dbraw/zinc/03/44/87/1032034487.db2.gz SNEPAILAHBAVRB-KBXCAEBGSA-N 0 0 328.437 3.902 10 30 EHEERN C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCCc1ccccn1 ZINC000104871516 1037739769 /nfs/dbraw/zinc/73/97/69/1037739769.db2.gz NGFROJFKFXKTSM-UHFFFAOYSA-N 0 0 339.395 3.527 10 30 EHEERN CN1CC[C@@H](CNC(=O)c2ccc(C3(C#N)CC3)cc2)c2ccccc21 ZINC000179784008 1037922202 /nfs/dbraw/zinc/92/22/02/1037922202.db2.gz PDFQHNLHZAPFFZ-KRWDZBQOSA-N 0 0 345.446 3.595 10 30 EHEERN COC(=O)/C=C\c1ccc(OCc2ccc(C#N)cc2C)c(OC)c1 ZINC000588516922 1040720733 /nfs/dbraw/zinc/72/07/33/1040720733.db2.gz PCUCEIXTWRNPQB-TWGQIWQCSA-N 0 0 337.375 3.641 10 30 EHEERN N#Cc1ccc(C(=O)N2CCC[C@H](c3cc(F)ccc3F)C2)cc1 ZINC000190288102 1042559659 /nfs/dbraw/zinc/55/96/59/1042559659.db2.gz AXKXEYKXURPBPO-HNNXBMFYSA-N 0 0 326.346 3.856 10 30 EHEERN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)N1CC[C@H]2CCC[C@H]21 ZINC000330265291 1042734473 /nfs/dbraw/zinc/73/44/73/1042734473.db2.gz ZBHKTMPSHRERQM-FHLIZLRMSA-N 0 0 330.428 3.664 10 30 EHEERN CC1(C)CN(C(=O)C2(c3cccc(C#N)c3)CC2)CC2(CCCC2)O1 ZINC000408264555 1042891232 /nfs/dbraw/zinc/89/12/32/1042891232.db2.gz KRUOGDXCBRTLJL-UHFFFAOYSA-N 0 0 338.451 3.540 10 30 EHEERN N#C[C@H]1N(C(=O)c2cccn2C2CCCC2)CCC[C@]12CCCCO2 ZINC000408270274 1042903488 /nfs/dbraw/zinc/90/34/88/1042903488.db2.gz VIJPNDYENNIALF-UYAOXDASSA-N 0 0 341.455 3.671 10 30 EHEERN C#Cc1cccc(N(C)C(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)c1 ZINC000103031215 1132610506 /nfs/dbraw/zinc/61/05/06/1132610506.db2.gz WBKFTDNDRAVGOU-LIRRHRJNSA-N 0 0 332.403 3.539 10 30 EHEERN N#Cc1cnn2c1ncc1c(C=CNc3ccc(F)cc3F)nccc12 ZINC000102666190 219220602 /nfs/dbraw/zinc/22/06/02/219220602.db2.gz AKSCFNSLRRAWJX-HYXAFXHYSA-N 0 0 348.316 3.510 10 30 EHEERN Cc1cc(C)c(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 ZINC000038206679 213206713 /nfs/dbraw/zinc/20/67/13/213206713.db2.gz MVPRMOGPJUBESK-MFOYZWKCSA-N 0 0 328.328 3.874 10 30 EHEERN N#C[C@H](NC1CCCCC1)c1cc2c(c(Br)c1)OCO2 ZINC000037969532 213176965 /nfs/dbraw/zinc/17/69/65/213176965.db2.gz NCFHOWCHCWEWHW-ZDUSSCGKSA-N 0 0 337.217 3.665 10 30 EHEERN N=C(N)Nc1ncc(Cl)c2ccc(Sc3ccccc3)cc12 ZINC000035570199 213039107 /nfs/dbraw/zinc/03/91/07/213039107.db2.gz WFWVGNODYCIFAT-UHFFFAOYSA-N 0 0 328.828 3.944 10 30 EHEERN S=C(N/N=C\c1ccccc1Br)NC1CCCCC1 ZINC000033459421 212939889 /nfs/dbraw/zinc/93/98/89/212939889.db2.gz XCFMKULRMPOOEO-YBEGLDIGSA-N 0 0 340.290 3.580 10 30 EHEERN C=CCNC(=O)Cn1c2ccccc2nc1-c1ccccc1Cl ZINC000027636657 212568805 /nfs/dbraw/zinc/56/88/05/212568805.db2.gz MSHJWZILAVDMFR-UHFFFAOYSA-N 0 0 325.799 3.659 10 30 EHEERN CC1(C)CC(=O)C2=C(C1)O[C@@H](N)[C@@H](C#N)[C@@H]2c1ccc(Cl)cc1 ZINC000095081060 218274964 /nfs/dbraw/zinc/27/49/64/218274964.db2.gz NKHUOXFBSWIKHX-YLQAJVPDSA-N 0 0 330.815 3.522 10 30 EHEERN CCN(CC)C(=O)[C@@H]1CCCN(c2ccc(C#N)c3ccccc32)C1 ZINC000035876071 520527482 /nfs/dbraw/zinc/52/74/82/520527482.db2.gz BKAAOFJAUAUBOP-QGZVFWFLSA-N 0 0 335.451 3.796 10 30 EHEERN N#C[C@@H]1CCC[C@H]1NC(=O)NC1(c2ccc(F)cc2F)CCCC1 ZINC000329749429 1032103407 /nfs/dbraw/zinc/10/34/07/1032103407.db2.gz UGKUWPWDSDRPRH-BLLLJJGKSA-N 0 0 333.382 3.930 10 30 EHEERN COc1cc(/C=C\C(=O)c2ccc(OC)c(NC(C)=O)c2)ccc1C ZINC000588598722 1032450518 /nfs/dbraw/zinc/45/05/18/1032450518.db2.gz WTIUCOAIPPIPFG-CLFYSBASSA-N 0 0 339.391 3.867 10 30 EHEERN O=C(N[C@H](c1cccs1)C1CC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330162467 1018541103 /nfs/dbraw/zinc/54/11/03/1018541103.db2.gz ULUSAZJDWYQBPL-QILLFSRXSA-N 0 0 334.485 3.740 10 30 EHEERN N#C[C@H]1CCC[C@@H]1NC(=O)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000333351368 1019379845 /nfs/dbraw/zinc/37/98/45/1019379845.db2.gz VWBBZISCSFQKRQ-WBMJQRKESA-N 0 0 342.830 3.512 10 30 EHEERN Cc1cccc(C)c1NC(=O)[C@@H](C)N1CCC[C@@H](n2cccn2)C1 ZINC000328684222 1022465354 /nfs/dbraw/zinc/46/53/54/1022465354.db2.gz DXIWAQYNYMFCJG-IAGOWNOFSA-N 0 0 326.444 3.814 10 30 EHEERN Cc1ccc(NC(=O)[C@H](C)N2CCC[C@@H](n3cccn3)C2)c(C)c1 ZINC000328688192 1022468211 /nfs/dbraw/zinc/46/82/11/1022468211.db2.gz HNMBFZZIXRADQT-DLBZAZTESA-N 0 0 326.444 3.814 10 30 EHEERN Cn1cc([C@H]2CCCN2CC(=O)NC2(c3ccccc3)CCC2)cn1 ZINC000328932861 1022663670 /nfs/dbraw/zinc/66/36/70/1022663670.db2.gz DRKZRKNWOBPXRS-GOSISDBHSA-N 0 0 338.455 3.593 10 30 EHEERN Cc1cnc([C@H](C)NC(=O)c2sc([C@H]3CCCOC3)nc2C)o1 ZINC000328986831 1023017822 /nfs/dbraw/zinc/01/78/22/1023017822.db2.gz UHZDSUQMPLAFSJ-RYUDHWBXSA-N 0 0 335.429 3.708 10 30 EHEERN N#CC1CCN(CC(=O)Nc2c(Cl)cccc2C(F)(F)F)CC1 ZINC000057906316 1023298693 /nfs/dbraw/zinc/29/86/93/1023298693.db2.gz BCXUIZQNYVPDGU-UHFFFAOYSA-N 0 0 345.752 3.533 10 30 EHEERN Cn1nccc1N1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)C1 ZINC000329949084 1024261868 /nfs/dbraw/zinc/26/18/68/1024261868.db2.gz LHUMBTHPQRRVKZ-FJIDUMEYSA-N 0 0 344.503 3.952 10 30 EHEERN O=C(NC[C@@H]1CCCCO1)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000330089233 1024314671 /nfs/dbraw/zinc/31/46/71/1024314671.db2.gz VPNITSLOWZTZGL-DOTOQJQBSA-N 0 0 344.455 3.896 10 30 EHEERN O=C(NC[C@@H]1CCCCC(F)(F)C1)N[C@@H]1CCC(=O)NC12CCC2 ZINC000330235158 1024364755 /nfs/dbraw/zinc/36/47/55/1024364755.db2.gz YRNQEFFEDOVXLA-CHWSQXEVSA-N 0 0 343.418 3.747 10 30 EHEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1cnc2ccsc2c1 ZINC000186001262 1024373785 /nfs/dbraw/zinc/37/37/85/1024373785.db2.gz KISYUADSNPOONH-LBPRGKRZSA-N 0 0 346.419 3.922 10 30 EHEERN C[C@]1(C(=O)N[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CCCNC1=O ZINC000330333906 1024933059 /nfs/dbraw/zinc/93/30/59/1024933059.db2.gz YKKWLKHNUWXKCT-KEYYUXOJSA-N 0 0 338.354 3.508 10 30 EHEERN C[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000329269840 1025706840 /nfs/dbraw/zinc/70/68/40/1025706840.db2.gz INFAHTKGMLVCLK-ILXRZTDVSA-N 0 0 332.492 3.578 10 30 EHEERN C[C@H]1Oc2ccc(NC(=O)C[C@H]3CCCCC(=O)N3)cc2NC1=O ZINC000329274089 1025713651 /nfs/dbraw/zinc/71/36/51/1025713651.db2.gz KHHXIOFUFXUMMN-GHMZBOCLSA-N 0 0 331.372 3.933 10 30 EHEERN CC(C)NC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000329347703 1025769109 /nfs/dbraw/zinc/76/91/09/1025769109.db2.gz RXDKSJRBAUXITA-ULQDDVLXSA-N 0 0 335.492 3.946 10 30 EHEERN C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc2c(c1)CCC2 ZINC000186028216 1026128975 /nfs/dbraw/zinc/12/89/75/1026128975.db2.gz UUANUERDYUIYGW-AWEZNQCLSA-N 0 0 329.407 3.801 10 30 EHEERN C=CCNC(=O)N(Cc1ccc(OC)cc1)Cc1ccc(OC)cc1 ZINC000105063837 1027675010 /nfs/dbraw/zinc/67/50/10/1027675010.db2.gz UOAAXMYBUJGQJZ-UHFFFAOYSA-N 0 0 340.423 3.602 10 30 EHEERN N#Cc1ccc(N2CCC[C@H](c3nc(-c4ccccc4)c[nH]3)C2)cn1 ZINC000091483346 1028065136 /nfs/dbraw/zinc/06/51/36/1028065136.db2.gz YJYYFLMGQYIDFB-INIZCTEOSA-N 0 0 329.407 3.727 10 30 EHEERN Cc1nc([C@H](C)NC(=O)N2CCC(c3nccs3)CC2)cs1 ZINC000329355508 1030508324 /nfs/dbraw/zinc/50/83/24/1030508324.db2.gz FOFPEVPFYXARLB-JTQLQIEISA-N 0 0 336.486 3.763 10 30 EHEERN N#CCSc1cccc(C(=O)Nc2cccc(-c3ncon3)c2)c1 ZINC000176536906 1031459132 /nfs/dbraw/zinc/45/91/32/1031459132.db2.gz XSQBPXUJUAQNLV-UHFFFAOYSA-N 0 0 336.376 3.605 10 30 EHEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000329643068 1031568514 /nfs/dbraw/zinc/56/85/14/1031568514.db2.gz YPCBVFKHENCNNQ-QAPCUYQASA-N 0 0 349.438 3.714 10 30 EHEERN Cc1nc(NC(=O)[C@@H]2Oc3ccccc3[C@H]2C)sc1SCC#N ZINC000117612891 1031780850 /nfs/dbraw/zinc/78/08/50/1031780850.db2.gz HUPSZRJRWJYMOX-NOZJJQNGSA-N 0 0 345.449 3.570 10 30 EHEERN O=C(NC1CCC(C(F)(F)F)CC1)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000329951765 1034977160 /nfs/dbraw/zinc/97/71/60/1034977160.db2.gz CRMUWMHKCJDLGP-LFGDDXOXSA-N 0 0 334.382 3.569 10 30 EHEERN C=CC[C@H](C(=O)N1CCC(Cc2nccn2C)CC1)c1ccccc1 ZINC000187027462 1035743057 /nfs/dbraw/zinc/74/30/57/1035743057.db2.gz JMJZMHOKHUGION-IBGZPJMESA-N 0 0 337.467 3.561 10 30 EHEERN COc1ccc([C@H]2C[C@H](C)N(C(=O)c3sccc3C#N)C2)cc1 ZINC000122332743 1037527853 /nfs/dbraw/zinc/52/78/53/1037527853.db2.gz BPQHIPZPGDFGAZ-WFASDCNBSA-N 0 0 326.421 3.647 10 30 EHEERN Cc1nc([C@H](C)NC(=O)N[C@H]2CCOC3(CCCCC3)C2)cs1 ZINC000330232844 1039624730 /nfs/dbraw/zinc/62/47/30/1039624730.db2.gz RWJYVUVMFJDEGG-JSGCOSHPSA-N 0 0 337.489 3.898 10 30 EHEERN N#C[C@@H]1CCC[C@H]1NC(=O)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000332975217 1040609859 /nfs/dbraw/zinc/60/98/59/1040609859.db2.gz FYNADPGFZKEPHV-APHBMKBZSA-N 0 0 349.887 3.908 10 30 EHEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1cc2c(cc1Br)CCC2 ZINC000408443381 1040776240 /nfs/dbraw/zinc/77/62/40/1040776240.db2.gz PFHAWFAOHYVPOZ-GXTWGEPZSA-N 0 0 348.244 3.752 10 30 EHEERN O=C(Nc1cccc(N2CCCCC2=O)c1)N1CC[C@H]2CCC[C@@H]21 ZINC000330252386 1042568988 /nfs/dbraw/zinc/56/89/88/1042568988.db2.gz OHRFPCJUUZDYRK-PBHICJAKSA-N 0 0 327.428 3.623 10 30 EHEERN CN(CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccc(Cl)cc1 ZINC000003585404 1129942581 /nfs/dbraw/zinc/94/25/81/1129942581.db2.gz OCBBRARPUBMSQA-UHFFFAOYSA-N 0 0 348.233 3.936 10 30 EHEERN N#Cc1ccc(SCC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000103066921 1137875005 /nfs/dbraw/zinc/87/50/05/1137875005.db2.gz UUOOUMGCHIGDJE-OLZOCXBDSA-N 0 0 342.386 3.888 10 30 EHEERN CCCn1c2ccccc2c2nnc(N=NCc3cccs3)nc21 ZINC000064981579 214819212 /nfs/dbraw/zinc/81/92/12/214819212.db2.gz KKEGTDZYGDMIEW-WOJGMQOQSA-N 0 0 336.424 3.897 10 30 EHEERN COC[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000103539433 219313328 /nfs/dbraw/zinc/31/33/28/219313328.db2.gz NPWMMTWAKFYFIO-VKHMYHEASA-N 0 0 330.093 3.668 10 30 EHEERN N#Cc1nc2c(nc1C#N)-c1ccc(Br)c3cccc-2c13 ZINC000072236468 216076651 /nfs/dbraw/zinc/07/66/51/216076651.db2.gz HDZLTCOFYWHPLE-UHFFFAOYSA-N 0 0 333.148 3.783 10 30 EHEERN CC(C)(C)OC(=O)N1CCC(CCCOc2cc(C#N)ccn2)CC1 ZINC000095083704 218275732 /nfs/dbraw/zinc/27/57/32/218275732.db2.gz IPUXXVSMCHBSJE-UHFFFAOYSA-N 0 0 345.443 3.759 10 30 EHEERN C=CCN1/C(=N\c2ccccn2)SC[C@]1(O)c1ccc(Cl)cc1 ZINC000005899009 210555616 /nfs/dbraw/zinc/55/56/16/210555616.db2.gz QZUNFZDBRFMVED-BJMRFWQKSA-N 0 0 345.855 3.803 10 30 EHEERN CC(=O)Nc1ccc(C=NNc2ccc(Br)cc2)cc1 ZINC000005197144 210410455 /nfs/dbraw/zinc/41/04/55/210410455.db2.gz QEFHPPPUFYSYMB-LICLKQGHSA-N 0 0 332.201 3.854 10 30 EHEERN Cc1ccc(CN=Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 ZINC000097400355 219022196 /nfs/dbraw/zinc/02/21/96/219022196.db2.gz PLBMLMMOSWGXNX-JAIQZWGSSA-N 0 0 338.798 3.640 10 30 EHEERN Cc1ccc(S(=O)(=O)C2=C/C(=N\c3ccccc3)C=CC2=O)cc1 ZINC000004746674 210268966 /nfs/dbraw/zinc/26/89/66/210268966.db2.gz MPTQAEVZWDYWNG-SILNSSARSA-N 0 0 337.400 3.564 10 30 EHEERN Cc1ccc(/N=C2/NC(=O)/C(=C/c3cccc(F)c3)S2)c(O)c1 ZINC000016904622 518188204 /nfs/dbraw/zinc/18/82/04/518188204.db2.gz KAOPKGGYISAEMM-DHDCSXOGSA-N 0 0 328.368 3.731 10 30 EHEERN S=C(N/N=C/C=C/c1ccccc1)N[C@@H]1C[C@H]2C[C@@H]1[C@H]1C=CC[C@H]21 ZINC000004324241 526383327 /nfs/dbraw/zinc/38/33/27/526383327.db2.gz DFVAJBDCDZHHJV-DZJRJHQBSA-N 0 0 337.492 3.750 10 30 EHEERN CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@]12C ZINC000261492172 564056155 /nfs/dbraw/zinc/05/61/55/564056155.db2.gz SKEGQFZZUKYRKV-CLWPLKITSA-N 0 0 330.468 3.550 10 30 EHEERN C=C(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000685961330 564177162 /nfs/dbraw/zinc/17/71/62/564177162.db2.gz GBXVRINFCYDEJR-ZBFHGGJFSA-N 0 0 333.428 3.630 10 30 EHEERN C#CCCCCCCCCCCC[C@@H](O)C[C@@H](CO)OC(C)=O ZINC000015270289 571739203 /nfs/dbraw/zinc/73/92/03/571739203.db2.gz LQFANUWEWSJRJG-MOPGFXCFSA-N 0 0 326.477 3.586 10 30 endogenous,in-man EHEERN CC1(c2ccccc2)CC(NC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)C1 ZINC000329793865 1032400200 /nfs/dbraw/zinc/40/02/00/1032400200.db2.gz BLSGOFPUHRTOLW-QUWFBVPJSA-N 0 0 342.483 3.648 10 30 EHEERN COc1ccc(O)cc1C(=O)/C=C\c1c(Cl)nc2sccn12 ZINC000588409660 1020834230 /nfs/dbraw/zinc/83/42/30/1020834230.db2.gz HVUGYRFIDAPKFK-ARJAWSKDSA-N 0 0 334.784 3.660 10 30 EHEERN CCOc1cc(/C=C\C(=O)c2cc(O)ccc2OC)ccc1OC ZINC000588410354 1020854967 /nfs/dbraw/zinc/85/49/67/1020854967.db2.gz IVVFLJMFPKQUCQ-YVMONPNESA-N 0 0 328.364 3.704 10 30 EHEERN O=C1[C@@H](/N=C\c2c(O)ccc3ccccc32)CCCN1c1cccnc1 ZINC000588424967 1021491670 /nfs/dbraw/zinc/49/16/70/1021491670.db2.gz KFSOTMILLMQCRF-CSMVZQPBSA-N 0 0 345.402 3.555 10 30 EHEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)NC[C@@H]1CCCn2ccnc21 ZINC000328604909 1022449628 /nfs/dbraw/zinc/44/96/28/1022449628.db2.gz JAKXIUUXPVZYMV-YYIAUSFCSA-N 0 0 332.492 3.725 10 30 EHEERN CC[C@H](NC(=O)NC[C@H]1CCCn2cc(C)nc21)c1cccs1 ZINC000328658343 1022455705 /nfs/dbraw/zinc/45/57/05/1022455705.db2.gz QWNCFKVAMSKNNB-KGLIPLIRSA-N 0 0 332.473 3.785 10 30 EHEERN CCS[C@@H]1CC[C@H](N(C)C(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000328681827 1022465418 /nfs/dbraw/zinc/46/54/18/1022465418.db2.gz CTITZCFCQBRLQV-MJBXVCDLSA-N 0 0 339.505 3.548 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@H](C)c1ccccc1C)CCC2 ZINC000328694224 1022470718 /nfs/dbraw/zinc/47/07/18/1022470718.db2.gz FYYHRULTWLSGHA-CVEARBPZSA-N 0 0 326.444 3.642 10 30 EHEERN C[C@@H](C(=O)Nc1ccccc1Cl)N1CCC[C@@H](n2cccn2)C1 ZINC000328707246 1022471939 /nfs/dbraw/zinc/47/19/39/1022471939.db2.gz PXNXWCOIAYNMHV-UONOGXRCSA-N 0 0 332.835 3.850 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000328920175 1022546221 /nfs/dbraw/zinc/54/62/21/1022546221.db2.gz BUINUMFTYKJAOZ-BVIKNXMNSA-N 0 0 331.460 3.671 10 30 EHEERN O=C(Nc1scnc1C1CC1)N[C@@H]1CCN(c2ccccc2)C1 ZINC000328909475 1022609387 /nfs/dbraw/zinc/60/93/87/1022609387.db2.gz DSBCAXDWNUDCHJ-CYBMUJFWSA-N 0 0 328.441 3.625 10 30 EHEERN COc1cc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2C)c(OC)cc1O ZINC000588450259 1022972769 /nfs/dbraw/zinc/97/27/69/1022972769.db2.gz RNDRYDXQYWRKSY-ALCCZGGFSA-N 0 0 343.335 3.522 10 30 EHEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)CCC1CCOCC1)C2 ZINC000329789481 1024194706 /nfs/dbraw/zinc/19/47/06/1024194706.db2.gz BZIBZPAEJQJNEZ-HNNXBMFYSA-N 0 0 333.476 3.659 10 30 EHEERN Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]32)c(OC[C@H]2CCCO2)c1 ZINC000329912190 1024246885 /nfs/dbraw/zinc/24/68/85/1024246885.db2.gz BDZFBSRMWQYJGK-UXLLHSPISA-N 0 0 330.428 3.583 10 30 EHEERN C[C@H](CC1CCCCC1)C(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000329979279 1024272083 /nfs/dbraw/zinc/27/20/83/1024272083.db2.gz JGJNWRBSEZDVMM-PVAVHDDUSA-N 0 0 348.466 3.956 10 30 EHEERN CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000119470151 1024286530 /nfs/dbraw/zinc/28/65/30/1024286530.db2.gz MPGXVNKVXITNKX-SJLPKXTDSA-N 0 0 326.440 3.897 10 30 EHEERN O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)N1CCC[C@H]1CCO ZINC000330284039 1024384260 /nfs/dbraw/zinc/38/42/60/1024384260.db2.gz WXZJTSCXQDQJQA-RDJZCZTQSA-N 0 0 344.455 3.584 10 30 EHEERN O=C(C[C@@H]1C=CCCC1)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1 ZINC000329101450 1025602147 /nfs/dbraw/zinc/60/21/47/1025602147.db2.gz FCHNWHLVEPNQNW-YUELXQCFSA-N 0 0 331.416 3.870 10 30 EHEERN Cc1cnn([C@@H]2CCCN([C@H](C)C(=O)Nc3cccc(C)c3)C2)c1 ZINC000329188156 1025651275 /nfs/dbraw/zinc/65/12/75/1025651275.db2.gz QZKZZWVVGAMROP-SJLPKXTDSA-N 0 0 326.444 3.814 10 30 EHEERN C[C@@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)c1c(F)cccc1Cl ZINC000329258446 1025698695 /nfs/dbraw/zinc/69/86/95/1025698695.db2.gz AGELOYGOYHSCNK-GIPNMCIBSA-N 0 0 339.798 3.505 10 30 EHEERN CCC1CCN(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329271062 1025711656 /nfs/dbraw/zinc/71/16/56/1025711656.db2.gz JBUAMFCFJRLQSM-HNNXBMFYSA-N 0 0 332.492 3.531 10 30 EHEERN CC1CCC(N(C)C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329287902 1025721446 /nfs/dbraw/zinc/72/14/46/1025721446.db2.gz PUXKEKTVZRKMAD-HWOWSKLDSA-N 0 0 346.519 3.920 10 30 EHEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CCCC(C)(C)C1)C2 ZINC000329292332 1025729223 /nfs/dbraw/zinc/72/92/23/1025729223.db2.gz RDYNQXSABWQKEH-CQSZACIVSA-N 0 0 332.492 3.531 10 30 EHEERN O=C(Cn1cnc2ccccc2c1=O)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000329344284 1025766696 /nfs/dbraw/zinc/76/66/96/1025766696.db2.gz QLLXYQYHOCHMJJ-RDJZCZTQSA-N 0 0 339.439 3.569 10 30 EHEERN C=CCOc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1 ZINC000103376140 1026083867 /nfs/dbraw/zinc/08/38/67/1026083867.db2.gz DIVMIJRBADZRLF-CYBMUJFWSA-N 0 0 338.363 3.751 10 30 EHEERN CC(C)C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccccn1 ZINC000186016154 1026085059 /nfs/dbraw/zinc/08/50/59/1026085059.db2.gz GABLKUCJGNXBMQ-GOSISDBHSA-N 0 0 332.411 3.733 10 30 EHEERN CC1(C)Cc2occc2[C@H](Nc2cnn(-c3ncccc3C#N)c2)C1 ZINC000186024329 1026140507 /nfs/dbraw/zinc/14/05/07/1026140507.db2.gz LGHPOEZJVDLRMR-MRXNPFEDSA-N 0 0 333.395 3.858 10 30 EHEERN CC(C)(C#N)c1ccc(NC(=O)C[C@@H]2c3ccccc3NC2=O)cc1 ZINC000195233967 1028575292 /nfs/dbraw/zinc/57/52/92/1028575292.db2.gz PJMTYWACUQTLLM-MRXNPFEDSA-N 0 0 333.391 3.552 10 30 EHEERN C#CCCCCNC(=O)N1C[C@@H](c2ccccc2Cl)OC[C@@H]1C ZINC000155008910 1029399249 /nfs/dbraw/zinc/39/92/49/1029399249.db2.gz XFEFUSDROQHXGT-YOEHRIQHSA-N 0 0 334.847 3.615 10 30 EHEERN Cn1ncc(C(=O)NCC2(O)CCC(C(C)(C)C)CC2)c1C1CC1 ZINC000329493156 1030940298 /nfs/dbraw/zinc/94/02/98/1030940298.db2.gz WLVOVGUPSTUKGL-UHFFFAOYSA-N 0 0 333.476 3.570 10 30 EHEERN C=CCCC[C@@H](C)NC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000181396552 1031983869 /nfs/dbraw/zinc/98/38/69/1031983869.db2.gz URWZMIWYNPPUDH-QGZVFWFLSA-N 0 0 349.519 3.555 10 30 EHEERN CN(Cc1ccc(C#N)cc1)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179483719 1034335854 /nfs/dbraw/zinc/33/58/54/1034335854.db2.gz BIFXWMXCTROCQT-UHFFFAOYSA-N 0 0 331.379 3.612 10 30 EHEERN C=CC[C@H](C(=O)NC1CCN(c2cccc(C)n2)CC1)c1ccccc1 ZINC000188065895 1035888673 /nfs/dbraw/zinc/88/86/73/1035888673.db2.gz UQAASEFQIYLFBQ-FQEVSTJZSA-N 0 0 349.478 3.835 10 30 EHEERN CN(Cc1cnn(-c2ccccc2)c1)C(=O)Nc1ccc(F)c(C#N)c1 ZINC000102955627 1036772778 /nfs/dbraw/zinc/77/27/78/1036772778.db2.gz KSSDPKXPZHVMBD-UHFFFAOYSA-N 0 0 349.369 3.547 10 30 EHEERN C[C@@H](Oc1ccccc1C#N)C(=O)N(CC(C)(C)C)CC(F)(F)F ZINC000103935766 1037143393 /nfs/dbraw/zinc/14/33/93/1037143393.db2.gz IUHFPQPVXBQVQJ-GFCCVEGCSA-N 0 0 342.361 3.763 10 30 EHEERN N#C[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000332903059 1040182863 /nfs/dbraw/zinc/18/28/63/1040182863.db2.gz QJXMXLGUNGRLDI-UAGQMJEPSA-N 0 0 339.439 3.814 10 30 EHEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1cc2c(cc1Br)CCC2 ZINC000408443387 1040775578 /nfs/dbraw/zinc/77/55/78/1040775578.db2.gz PFHAWFAOHYVPOZ-OCCSQVGLSA-N 0 0 348.244 3.752 10 30 EHEERN CC(C)n1cnnc1-c1ccccc1NC(=O)N1CC[C@H]2CCC[C@H]21 ZINC000330250698 1042550755 /nfs/dbraw/zinc/55/07/55/1042550755.db2.gz NCEMWQUTCBXSRW-RHSMWYFYSA-N 0 0 339.443 3.946 10 30 EHEERN Cc1c(NC(=O)N2CC[C@H]3CCC[C@H]32)cnn1-c1ccccc1F ZINC000330260640 1042659508 /nfs/dbraw/zinc/65/95/08/1042659508.db2.gz SURMIZNQUCGOCE-CZUORRHYSA-N 0 0 328.391 3.740 10 30 EHEERN COc1ccc(C(=O)/C=C/c2cc(C)c(O)c(C)c2)cc1NC(C)=O ZINC000102200813 1135488497 /nfs/dbraw/zinc/48/84/97/1135488497.db2.gz ZMCFJSWNBLISQF-FNORWQNLSA-N 0 0 339.391 3.872 10 30 EHEERN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1 ZINC000104627306 1137878968 /nfs/dbraw/zinc/87/89/68/1137878968.db2.gz UDGSEFVDMDAIHB-PBHICJAKSA-N 0 0 341.455 3.683 10 30 EHEERN N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000333436290 1138289823 /nfs/dbraw/zinc/28/98/23/1138289823.db2.gz VMPBSDACBBJUES-UXLLHSPISA-N 0 0 339.439 3.814 10 30 EHEERN CCC(/C=N/N1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O)CC ZINC000044392701 213622685 /nfs/dbraw/zinc/62/26/85/213622685.db2.gz RRFIMFUQNQVUIB-VXLYETTFSA-N 0 0 339.351 3.766 10 30 EHEERN C/C(=N\O)c1ccccc1NC(=O)c1ccccc1Br ZINC000019802839 212070352 /nfs/dbraw/zinc/07/03/52/212070352.db2.gz BXBJTKPTRBHOKO-VCHYOVAHSA-N 0 0 333.185 3.900 10 30 EHEERN N#CCc1ccc(OCC(=O)Nc2ccccc2Br)cc1 ZINC000019515363 212034422 /nfs/dbraw/zinc/03/44/22/212034422.db2.gz OFYOFFDKYZCQIV-UHFFFAOYSA-N 0 0 345.196 3.533 10 30 EHEERN COC(=O)c1cc(C)n(/C(=N\C2CCCCC2)c2ccccc2)n1 ZINC000006070208 210584295 /nfs/dbraw/zinc/58/42/95/210584295.db2.gz CJQCJCJZHMQPPV-ZZEZOPTASA-N 0 0 325.412 3.606 10 30 EHEERN Cn1c2c(nc1[C@H]1CCCN1Cc1cc(C#N)cs1)CCCC2 ZINC000328623966 258033774 /nfs/dbraw/zinc/03/37/74/258033774.db2.gz CFCLBCWXCNNHHO-QGZVFWFLSA-N 0 0 326.469 3.569 10 30 EHEERN COc1ccccc1N1CCN(/N=C/c2c(F)cccc2Cl)CC1 ZINC000000445818 537062733 /nfs/dbraw/zinc/06/27/33/537062733.db2.gz HSMYVUJRJTUGJH-FYJGNVAPSA-N 0 0 347.821 3.644 10 30 EHEERN Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1sccc1C#N ZINC000328617893 564136958 /nfs/dbraw/zinc/13/69/58/564136958.db2.gz DDZXJHSXXALWCQ-LBPRGKRZSA-N 0 0 331.466 3.577 10 30 EHEERN Cc1nn(C)c(C)c1[C@H]1CCCN1c1cc(C#N)c2ccccc2n1 ZINC000122906358 1017298207 /nfs/dbraw/zinc/29/82/07/1017298207.db2.gz USXDYXROQNMWJK-GOSISDBHSA-N 0 0 331.423 3.798 10 30 EHEERN N#C[C@]1(C(=O)NC[C@H]2CCCC[C@@H]2C(F)(F)F)CC12CCCC2 ZINC000333533115 1019918657 /nfs/dbraw/zinc/91/86/57/1019918657.db2.gz JLILYKONSVUZBN-WWGRRREGSA-N 0 0 328.378 3.945 10 30 EHEERN N#Cc1cc(F)ccc1NC(=O)N1CCC[C@@H](c2nccs2)C1 ZINC000177909042 1020411520 /nfs/dbraw/zinc/41/15/20/1020411520.db2.gz MZJJLKMMKXVKQQ-LLVKDONJSA-N 0 0 330.388 3.565 10 30 EHEERN COc1ccc(O)cc1C(=O)/C=C\c1cn(C)nc1-c1ccccc1 ZINC000588410411 1020856665 /nfs/dbraw/zinc/85/66/65/1020856665.db2.gz XSDANTHGXKFFFB-NTMALXAHSA-N 0 0 334.375 3.697 10 30 EHEERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3cc(C#N)cs3)C2)cc1 ZINC000084112719 1020956739 /nfs/dbraw/zinc/95/67/39/1020956739.db2.gz PTHJDWPAHMZGKI-IUODEOHRSA-N 0 0 326.421 3.647 10 30 EHEERN N#Cc1ccc2ncc(/C=C3/COc4ccc(Cl)cc4C3=O)n2c1 ZINC000588425532 1021533263 /nfs/dbraw/zinc/53/32/63/1021533263.db2.gz FBFKTMUWPDYNAM-XGICHPGQSA-N 0 0 335.750 3.518 10 30 EHEERN COc1ccc([C@@H]2C[C@H](C)N(C(=O)Nc3ccc(C#N)cc3)C2)cc1 ZINC000120797537 1022206922 /nfs/dbraw/zinc/20/69/22/1022206922.db2.gz LSMSFQNMOHYOEJ-WMLDXEAASA-N 0 0 335.407 3.977 10 30 EHEERN C[C@H](CNC(=O)C[C@H]1CCCCC(=O)N1)N1CCc2ccccc21 ZINC000328650080 1022453924 /nfs/dbraw/zinc/45/39/24/1022453924.db2.gz IWNHCMUFEXMSEP-GDBMZVCRSA-N 0 0 329.444 3.683 10 30 EHEERN C[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1)c1cc2ccccc2o1 ZINC000328890165 1022529056 /nfs/dbraw/zinc/52/90/56/1022529056.db2.gz RKIURGQCYDSKIG-FVMIAERFSA-N 0 0 341.411 3.895 10 30 EHEERN O=C(Nc1cccc2c1OCCO2)[C@H]1C[C@]12CCOc1ccccc12 ZINC000328895615 1022570846 /nfs/dbraw/zinc/57/08/46/1022570846.db2.gz WHOFKCQDUKQULF-VLIAUNLRSA-N 0 0 337.375 3.786 10 30 EHEERN CS[C@H]1CCCCN(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000329707982 1024109233 /nfs/dbraw/zinc/10/92/33/1024109233.db2.gz LZEBIFWGWZRTFL-GZBFAFLISA-N 0 0 341.521 3.652 10 30 EHEERN CC(C)(C)c1nnc(CNC(=O)NC2C3CC4CC(C3)CC2C4)s1 ZINC000329867806 1024227678 /nfs/dbraw/zinc/22/76/78/1024227678.db2.gz WPHZKTGOCURHEZ-UHFFFAOYSA-N 0 0 348.516 3.664 10 30 EHEERN Cc1cccc2c1OCC[C@H]2NC(=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330100480 1024318014 /nfs/dbraw/zinc/31/80/14/1024318014.db2.gz HTNMSXHBXXVOEV-YQVWRLOYSA-N 0 0 338.407 3.948 10 30 EHEERN C[C@H](NC(=O)[C@H]1CCO[C@@H]1c1cccnc1)c1nc(C(C)(C)C)no1 ZINC000330113451 1024323552 /nfs/dbraw/zinc/32/35/52/1024323552.db2.gz SEYBCRLICIZOFM-FPMFFAJLSA-N 0 0 344.415 3.557 10 30 EHEERN Cc1ccc2nc(NC(=O)[C@@H]3CCO[C@H]3c3ccnn3C)sc2c1 ZINC000330127903 1024325428 /nfs/dbraw/zinc/32/54/28/1024325428.db2.gz JFVVZMRKBBGWPE-IAQYHMDHSA-N 0 0 342.424 3.704 10 30 EHEERN C/C(=C/c1ccc(F)cc1)C(=O)N[C@@]1(C#N)CCc2ccccc2C1 ZINC000588490713 1024646349 /nfs/dbraw/zinc/64/63/49/1024646349.db2.gz HMKBNKVRVATGRV-MQGIHEMASA-N 0 0 334.394 3.796 10 30 EHEERN Cn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000330324515 1024782560 /nfs/dbraw/zinc/78/25/60/1024782560.db2.gz INYDHSBDLYPVFT-NCOADZHNSA-N 0 0 331.460 3.813 10 30 EHEERN C[C@]1(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CCCNC1=O ZINC000330333905 1024933866 /nfs/dbraw/zinc/93/38/66/1024933866.db2.gz YKKWLKHNUWXKCT-CPUCHLNUSA-N 0 0 338.354 3.508 10 30 EHEERN CCC[C@@H]1C[C@@H]1NC(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000330350117 1025039850 /nfs/dbraw/zinc/03/98/50/1025039850.db2.gz KRKNOAUROVCLGN-WBVHZDCISA-N 0 0 330.476 3.501 10 30 EHEERN CC[C@](C)(NC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C)c1nccs1 ZINC000329015277 1025570357 /nfs/dbraw/zinc/57/03/57/1025570357.db2.gz GBCZQKJGVULZCJ-LBTNJELSSA-N 0 0 344.484 3.892 10 30 EHEERN C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCS[C@@H](C)C1 ZINC000329017372 1025572075 /nfs/dbraw/zinc/57/20/75/1025572075.db2.gz RAQKMZURIWVLEG-QWRGUYRKSA-N 0 0 335.498 3.522 10 30 EHEERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000329038979 1025577015 /nfs/dbraw/zinc/57/70/15/1025577015.db2.gz SEUVIIHWWRNVHL-YYIAUSFCSA-N 0 0 331.460 3.906 10 30 EHEERN C#CCOc1ccccc1NC(=O)/C=C\c1ccnc2ccccc12 ZINC000588513515 1025893693 /nfs/dbraw/zinc/89/36/93/1025893693.db2.gz BHQFJHAOZZBGKY-QXMHVHEDSA-N 0 0 328.371 3.899 10 30 EHEERN C=CC[C@@H](C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1ccccc1 ZINC000588528775 1026657610 /nfs/dbraw/zinc/65/76/10/1026657610.db2.gz LXCDRVXKFDYVPK-DOOKAGJSSA-N 0 0 344.455 3.543 10 30 EHEERN CC(C)Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc1 ZINC000329231891 1030051560 /nfs/dbraw/zinc/05/15/60/1030051560.db2.gz KZLGHPDSIBEFIZ-BMGDILEWSA-N 0 0 343.471 3.911 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000329643069 1031568579 /nfs/dbraw/zinc/56/85/79/1031568579.db2.gz YPCBVFKHENCNNQ-YJBOKZPZSA-N 0 0 349.438 3.714 10 30 EHEERN C=CC[C@H](C(=O)NC1CCN(c2ccc(C)cn2)CC1)c1ccccc1 ZINC000188221304 1035922143 /nfs/dbraw/zinc/92/21/43/1035922143.db2.gz RYQYBNIZOYHQEE-FQEVSTJZSA-N 0 0 349.478 3.835 10 30 EHEERN CN(Cc1cccc(C#N)c1)C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000103941617 1037145758 /nfs/dbraw/zinc/14/57/58/1037145758.db2.gz FKGGQBTXKNCKCK-UHFFFAOYSA-N 0 0 333.366 3.760 10 30 EHEERN C[C@H](C#N)Oc1ccc(CNc2cnn(-c3ccccc3F)c2)cc1 ZINC000124774041 1038234695 /nfs/dbraw/zinc/23/46/95/1038234695.db2.gz KUVPYKPPFPGDBG-CQSZACIVSA-N 0 0 336.370 3.914 10 30 EHEERN Cc1cc(F)cc2c1ncc(C#N)c2N1CCC(c2cc[nH]n2)CC1 ZINC000301397143 1041814134 /nfs/dbraw/zinc/81/41/34/1041814134.db2.gz GVRMPCTZHNOOCR-UHFFFAOYSA-N 0 0 335.386 3.661 10 30 EHEERN O=C(Nc1cc(N2CCCC2=O)ccc1Cl)N1CC[C@@H]2CCC[C@H]21 ZINC000330284712 1042813244 /nfs/dbraw/zinc/81/32/44/1042813244.db2.gz XWZIRTRMONKNNG-BLLLJJGKSA-N 0 0 347.846 3.887 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)CNC(=O)CC2CCCC2)cs1 ZINC000330294942 1042844305 /nfs/dbraw/zinc/84/43/05/1042844305.db2.gz FKVRCVLOZNNGFA-HNNXBMFYSA-N 0 0 335.473 3.652 10 30 EHEERN C[C@@H](Oc1ccccc1C#N)C(=O)NC(C)(C)c1ccc(F)cc1 ZINC000103052639 1132650008 /nfs/dbraw/zinc/65/00/08/1132650008.db2.gz ISJZDGPOMYNHPC-CYBMUJFWSA-N 0 0 326.371 3.516 10 30 EHEERN Cn1c2ccc(Cl)cc2c2nnc(N=NCc3ccccc3)nc21 ZINC000040827509 213391552 /nfs/dbraw/zinc/39/15/52/213391552.db2.gz JJKHCCOHZKSWEZ-VXLYETTFSA-N 0 0 336.786 3.616 10 30 EHEERN N#Cc1ccc(Oc2ccccc2I)c(N)c1 ZINC000035675100 213045314 /nfs/dbraw/zinc/04/53/14/213045314.db2.gz KHDKJGADHCAMAC-UHFFFAOYSA-N 0 0 336.132 3.537 10 30 EHEERN Cc1ccc(C(=O)/C=C2\C(=O)Nc3ccc(Br)cc32)cc1 ZINC000013526142 211571711 /nfs/dbraw/zinc/57/17/11/211571711.db2.gz ZMCSHOACCJRLSY-ZROIWOOFSA-N 0 0 342.192 3.976 10 30 EHEERN CCCCCCCCCCCCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000059568309 519988039 /nfs/dbraw/zinc/98/80/39/519988039.db2.gz NKMQNRHFMVHBMG-QGZVFWFLSA-N 0 0 345.549 3.991 10 30 EHEERN S=C(N/N=C/C=C/c1ccccc1)N[C@H]1C[C@H]2C[C@@H]1[C@H]1C=CC[C@H]21 ZINC000004324242 526382611 /nfs/dbraw/zinc/38/26/11/526382611.db2.gz DFVAJBDCDZHHJV-CROLDUJFSA-N 0 0 337.492 3.750 10 30 EHEERN Cc1nn(C)cc1C(=O)/C=C/c1ccc(COc2ccc(F)cc2)o1 ZINC000033523228 527689044 /nfs/dbraw/zinc/68/90/44/527689044.db2.gz WFVXHPUCVMIWFF-MDZDMXLPSA-N 0 0 340.354 3.936 10 30 EHEERN COC(C)(C)C#CC(C)(C)C#CC#CC(C)(C)C#CC(C)(C)OC ZINC000005379388 564070574 /nfs/dbraw/zinc/07/05/74/564070574.db2.gz UFABJFKXXBHFGQ-UHFFFAOYSA-N 0 0 326.480 3.902 10 30 EHEERN N#Cc1ccc(CNC(=O)[C@H]2C[C@@]23CCOc2ccc(F)cc23)cc1 ZINC000328607114 564136878 /nfs/dbraw/zinc/13/68/78/564136878.db2.gz UOMQDJHVKHGXKL-YLJYHZDGSA-N 0 0 336.366 3.894 10 30 EHEERN C[C@H](Cc1cccs1)C(=O)N[C@@H]1CCO[C@H](c2cncn2C)C1 ZINC000328618381 564136929 /nfs/dbraw/zinc/13/69/29/564136929.db2.gz DSJKFWCZXBSTHI-IOASZLSFSA-N 0 0 333.457 3.537 10 30 EHEERN O=C(Nc1cncnc1)[C@@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000328632689 1016252701 /nfs/dbraw/zinc/25/27/01/1016252701.db2.gz ANEPEFSORGFYPU-GOEBONIOSA-N 0 0 344.212 3.731 10 30 EHEERN O=C(N[C@@H]1CCN(c2ccccc2)C1)c1coc(C2CCCC2)n1 ZINC000328769222 1020698674 /nfs/dbraw/zinc/69/86/74/1020698674.db2.gz CBTUHXWLFRHWGJ-OAHLLOKOSA-N 0 0 325.412 3.916 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@@H]1CCC(=O)c3ccccc31)CCC2 ZINC000328816389 1022493762 /nfs/dbraw/zinc/49/37/62/1022493762.db2.gz OQHRXYQWPJGPFF-WMLDXEAASA-N 0 0 337.423 3.786 10 30 EHEERN COC[C@@H]1CCN(C(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000328841203 1022510254 /nfs/dbraw/zinc/51/02/54/1022510254.db2.gz ZKBQVGDDQUBXRF-NVXWUHKLSA-N 0 0 344.455 3.705 10 30 EHEERN CC(C)Oc1cccc([C@H](C)NC(=O)N[C@@H]2CCO[C@@H]2C2CC2)c1 ZINC000328841448 1022513257 /nfs/dbraw/zinc/51/32/57/1022513257.db2.gz PLLHEYLXNWFQCU-MORSLUCNSA-N 0 0 332.444 3.606 10 30 EHEERN O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328855126 1022517853 /nfs/dbraw/zinc/51/78/53/1022517853.db2.gz WVLPPRYMMWICFD-IVMMDQJWSA-N 0 0 332.425 3.663 10 30 EHEERN Cc1cccc([C@H](C)NC(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)c1C ZINC000328859833 1022519674 /nfs/dbraw/zinc/51/96/74/1022519674.db2.gz DWUKHUDJPUWVFG-FDQGKXFDSA-N 0 0 329.444 3.766 10 30 EHEERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[C@@H](SC)C1 ZINC000328919260 1022545787 /nfs/dbraw/zinc/54/57/87/1022545787.db2.gz AQFCCIMOUGUFAQ-KBUPBQIOSA-N 0 0 337.489 3.611 10 30 EHEERN C[C@]1(NC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCO[C@@H]1C1CC1 ZINC000329752826 1024178635 /nfs/dbraw/zinc/17/86/35/1024178635.db2.gz JSCGWVWEWXYETN-JLNYLFASSA-N 0 0 334.382 3.569 10 30 EHEERN CC(C)C(=O)N[C@H]1CCCN(C(=O)Nc2cccc3ccn(C)c32)C1 ZINC000329929221 1024254475 /nfs/dbraw/zinc/25/44/75/1024254475.db2.gz YPHMVIANYVGPPG-HNNXBMFYSA-N 0 0 342.443 3.801 10 30 EHEERN O=C(N[C@@H]1CCOc2c(F)cccc21)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330041445 1024300618 /nfs/dbraw/zinc/30/06/18/1024300618.db2.gz GEXXYSJEXKKCMM-USXIJHARSA-N 0 0 342.370 3.779 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCc2sccc21 ZINC000330177595 1024341851 /nfs/dbraw/zinc/34/18/51/1024341851.db2.gz KWPMEHPIMPFVFN-XJKCOSOUSA-N 0 0 331.441 3.593 10 30 EHEERN O=C(N[C@H]1CCCc2sc(Cl)cc21)N1CCc2cncnc2C1 ZINC000330270465 1024379346 /nfs/dbraw/zinc/37/93/46/1024379346.db2.gz UFPBLPBSAJYDKS-LBPRGKRZSA-N 0 0 348.859 3.541 10 30 EHEERN CCC(CC)CN(CCC#N)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000104547302 1024778735 /nfs/dbraw/zinc/77/87/35/1024778735.db2.gz LJXVYFKLAJNIGL-UHFFFAOYSA-N 0 0 342.399 3.868 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)Nc2csc3ccccc23)no1 ZINC000329262902 1025705136 /nfs/dbraw/zinc/70/51/36/1025705136.db2.gz ZONRWZYADXZBHR-ZDUSSCGKSA-N 0 0 328.397 3.975 10 30 EHEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CCC(C)(C)CC1)C2 ZINC000329294426 1025729281 /nfs/dbraw/zinc/72/92/81/1025729281.db2.gz RYXJRLOIAYJXAB-CQSZACIVSA-N 0 0 332.492 3.531 10 30 EHEERN CC[C@@H]1CCCN(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000329312232 1025745180 /nfs/dbraw/zinc/74/51/80/1025745180.db2.gz ZZGJDUXEXBSZBE-HUUCEWRRSA-N 0 0 332.492 3.531 10 30 EHEERN Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329378251 1025795642 /nfs/dbraw/zinc/79/56/42/1025795642.db2.gz OXTXDSBPKALPEX-VHDGCEQUSA-N 0 0 345.443 3.566 10 30 EHEERN Cc1ccccc1[C@@H](NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21)C(C)C ZINC000329475903 1025898238 /nfs/dbraw/zinc/89/82/38/1025898238.db2.gz TXCOHIMEWZIUBM-ZACQAIPSSA-N 0 0 329.444 3.657 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NCC(=O)N1c2ccccc2CCc2ccccc21 ZINC000333569823 1027700087 /nfs/dbraw/zinc/70/00/87/1027700087.db2.gz IIOBZLCQOXKJBV-OALUTQOASA-N 0 0 345.446 3.732 10 30 EHEERN C[C@H](N[C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)s1 ZINC000186641665 1027734474 /nfs/dbraw/zinc/73/44/74/1027734474.db2.gz BGTAXMGEYBUEHN-SGTLLEGYSA-N 0 0 340.427 3.933 10 30 EHEERN CCC1CCC(NC(=O)Nc2ccc3c(c2F)CCNC3=O)CC1 ZINC000329143135 1029877226 /nfs/dbraw/zinc/87/72/26/1029877226.db2.gz VLDVWATUBXWUTO-UHFFFAOYSA-N 0 0 333.407 3.981 10 30 EHEERN COc1cccc(NC(=O)/C(=C/c2cocn2)C(=O)c2ccccc2)c1 ZINC000588578900 1030142989 /nfs/dbraw/zinc/14/29/89/1030142989.db2.gz CCCLZHWURITGQX-WOJGMQOQSA-N 0 0 348.358 3.588 10 30 EHEERN C=CCCCCCN(C)C(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000173367430 1031082666 /nfs/dbraw/zinc/08/26/66/1031082666.db2.gz HWWVHWVYUYJOEE-UHFFFAOYSA-N 0 0 344.503 3.747 10 30 EHEERN Cc1cc(C)c(CNC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)c(=O)[nH]1 ZINC000329592943 1031252178 /nfs/dbraw/zinc/25/21/78/1031252178.db2.gz CAQXRCWXOJTWJE-OXJNMPFZSA-N 0 0 338.407 3.601 10 30 EHEERN O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(NCC2CC2)nc1 ZINC000329882412 1033687465 /nfs/dbraw/zinc/68/74/65/1033687465.db2.gz PXEABVRZJFLSOH-UONOGXRCSA-N 0 0 341.377 3.751 10 30 EHEERN Cc1ccccc1[C@@H]1CN(C(=O)c2cccc(F)c2C#N)[C@H](C)CO1 ZINC000188274128 1034246958 /nfs/dbraw/zinc/24/69/58/1034246958.db2.gz CTGFMXBVVOJRQJ-KUHUBIRLSA-N 0 0 338.382 3.608 10 30 EHEERN CCC(CC)CN(CCC#N)C(=O)[C@@H](C)Oc1ccccc1C#N ZINC000104545445 1037058042 /nfs/dbraw/zinc/05/80/42/1037058042.db2.gz AHBWPJZTPNMTOO-OAHLLOKOSA-N 0 0 327.428 3.504 10 30 EHEERN CCCCCCCC(=O)N1CCCN(C(=O)c2cccs2)CC1 ZINC000112307463 1037761499 /nfs/dbraw/zinc/76/14/99/1037761499.db2.gz YYWMUZOEOKUXQZ-UHFFFAOYSA-N 0 0 336.501 3.783 10 30 EHEERN COc1ccc2c(c1)CCC[C@@H]2NC(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000330235644 1040063515 /nfs/dbraw/zinc/06/35/15/1040063515.db2.gz UAYFEFHZSWLTRZ-QAPCUYQASA-N 0 0 344.455 3.678 10 30 EHEERN CC(C)Oc1ccc(C#N)cc1NC(=O)[C@@H]1CCCc2cccnc21 ZINC000195448738 1123442370 /nfs/dbraw/zinc/44/23/70/1123442370.db2.gz XFDDSEUYSGMWJI-MRXNPFEDSA-N 0 0 335.407 3.799 10 30 EHEERN Cc1nc([C@H]2CCCN(c3c(C#N)nnc4ccccc43)C2)sc1C ZINC000329569704 1129611063 /nfs/dbraw/zinc/61/10/63/1129611063.db2.gz LZZMSSROEVIPMW-AWEZNQCLSA-N 0 0 349.463 3.959 10 30 EHEERN COc1ccc(C(=O)/C=C/c2ccc(F)c(C)c2)cc1NC(C)=O ZINC000103717685 1131938113 /nfs/dbraw/zinc/93/81/13/1131938113.db2.gz QCVALXWGBVUFRO-VMPITWQZSA-N 0 0 327.355 3.997 10 30 EHEERN C=CCCO[C@H](C)C(=O)Oc1ccc(-c2noc(C3CC3)n2)cc1 ZINC000103846378 1133904167 /nfs/dbraw/zinc/90/41/67/1133904167.db2.gz QCFISXDFARHJNL-GFCCVEGCSA-N 0 0 328.368 3.501 10 30 EHEERN C=CCn1c(C)nn(CN(C)Cc2cc(C)c(OC)c(C)c2)c1=S ZINC000101539225 1135349915 /nfs/dbraw/zinc/34/99/15/1135349915.db2.gz PIVMTJXJARFAQZ-UHFFFAOYSA-N 0 0 346.500 3.623 10 30 EHEERN Cc1cc(C(=O)NC2(C#N)CCCC2)c(C)n1-c1ccc(C#N)cc1 ZINC000102941388 1135706436 /nfs/dbraw/zinc/70/64/36/1135706436.db2.gz AVNURKBZYXKBNU-UHFFFAOYSA-N 0 0 332.407 3.532 10 30 EHEERN CCN(CC)S(=O)(=O)c1ccc(/N=C/c2sccc2C)cc1 ZINC000100191502 219094016 /nfs/dbraw/zinc/09/40/16/219094016.db2.gz ZLVXAMWOZWTWSU-SFQUDFHCSA-N 0 0 336.482 3.838 10 30 EHEERN C[C@@H]1CC(=O)C2=C(C1)O[C@H](N)[C@@H](C#N)[C@@H]2c1ccc2ccccc2c1 ZINC000100485534 219100229 /nfs/dbraw/zinc/10/02/29/219100229.db2.gz JWRMOHGINMLIME-HATKXBDTSA-N 0 0 332.403 3.631 10 30 EHEERN COC(=O)c1sc(N=NCc2ccc(Cl)cc2Cl)nc1C ZINC000102861864 219236633 /nfs/dbraw/zinc/23/66/33/219236633.db2.gz CRJHSRDNIWDKNY-SOFYXZRVSA-N 0 0 344.223 3.991 10 30 EHEERN CCOC(=O)c1cnc2c(C#N)cccc2c1Nc1ccc(C#N)cc1 ZINC000040308802 213290719 /nfs/dbraw/zinc/29/07/19/213290719.db2.gz OGKCRIPTPAPLBY-UHFFFAOYSA-N 0 0 342.358 3.898 10 30 EHEERN C=C(C)Cn1c(CNC(=O)/C=C\c2ccccc2)nc2ccccc21 ZINC000040192113 213280325 /nfs/dbraw/zinc/28/03/25/213280325.db2.gz XYONRONEYHYIQQ-SEYXRHQNSA-N 0 0 331.419 3.942 10 30 EHEERN COc1ccc(NC(=S)N/N=C(/C)c2ccc(C)cc2)cc1OC ZINC000038201535 213205375 /nfs/dbraw/zinc/20/53/75/213205375.db2.gz VIZDQIGZTCLVRV-MOSHPQCFSA-N 0 0 343.452 3.723 10 30 EHEERN COc1ccc([C@@H](C#N)NCc2ccccc2)cc1Br ZINC000038052234 213197940 /nfs/dbraw/zinc/19/79/40/213197940.db2.gz HVCFZTCBCOWGSW-OAHLLOKOSA-N 0 0 331.213 3.812 10 30 EHEERN O=S(=O)(c1ccc(/N=C\c2ccccc2)cc1)N1CCCCC1 ZINC000000493269 209634279 /nfs/dbraw/zinc/63/42/79/209634279.db2.gz CWISYOIGIPRNGV-CYVLTUHYSA-N 0 0 328.437 3.612 10 30 EHEERN CC(=O)Oc1cccc([C@@]2(C)O[C@@]2(C)c2cccc(OC(C)=O)c2)c1 ZINC000029224890 212658002 /nfs/dbraw/zinc/65/80/02/212658002.db2.gz SQPTYHWOVPPLRN-BGYRXZFFSA-N 0 0 340.375 3.698 10 30 EHEERN N#CCc1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1 ZINC000019488602 212032142 /nfs/dbraw/zinc/03/21/42/212032142.db2.gz VUSYTLYGLRAADZ-UHFFFAOYSA-N 0 0 345.196 3.533 10 30 EHEERN CC(C)(C)OC(=O)N1CCCC[C@H]1CCCOc1ncccc1C#N ZINC000095086239 218277395 /nfs/dbraw/zinc/27/73/95/218277395.db2.gz AOIZPYFVOAGZBA-INIZCTEOSA-N 0 0 345.443 3.902 10 30 EHEERN CC1(C)[C@H]2CC[C@]1(C)/C(=N/N=C/c1cc3c(cc1[N+](=O)[O-])OCO3)C2 ZINC000006378281 210625500 /nfs/dbraw/zinc/62/55/00/210625500.db2.gz MUWZPUZVZCVPPN-BVEKRCTPSA-N 0 0 343.383 3.945 10 30 EHEERN O=[N+]([O-])c1cccc(NN=Cc2c(F)c(F)c(F)c(F)c2F)c1 ZINC000004919828 210324361 /nfs/dbraw/zinc/32/43/61/210324361.db2.gz XLOKTNNSKKEIKK-PTXOJBNSSA-N 0 0 331.200 3.736 10 30 EHEERN C/C(=N\OCc1cccc([N+](=O)[O-])c1C)c1ccc2c(c1)CCO2 ZINC000098055576 518471743 /nfs/dbraw/zinc/47/17/43/518471743.db2.gz CIVCIVVAAVDBPA-CPNJWEJPSA-N 0 0 326.352 3.779 10 30 EHEERN CC(C)c1noc([C@H](NC(=O)[C@H]2CCCS2)C2CCOCC2)n1 ZINC000328615456 519909186 /nfs/dbraw/zinc/90/91/86/519909186.db2.gz YNDXZYPGRKWWHT-CHWSQXEVSA-N 0 0 339.461 3.513 10 30 EHEERN O=[N+]([O-])c1ccc(C=NNc2ncc(-c3ccc(Cl)cc3)s2)o1 ZINC000048554857 564129404 /nfs/dbraw/zinc/12/94/04/564129404.db2.gz WLFFAQAFJKDNRN-REZTVBANSA-N 0 0 348.771 3.833 10 30 EHEERN Cc1nc2c(s1)CCC[C@H]2CN(C)C(=O)c1cccc(C#N)c1 ZINC000328621788 564136964 /nfs/dbraw/zinc/13/69/64/564136964.db2.gz HYERSCJGWGWVHJ-HNNXBMFYSA-N 0 0 325.437 3.515 10 30 EHEERN COc1ccc(O)cc1C(=O)/C=C\c1cc(Cl)c(OC)c(OC)c1 ZINC000588409663 1016677059 /nfs/dbraw/zinc/67/70/59/1016677059.db2.gz IKXBFXOQFYPBFH-XQRVVYSFSA-N 0 0 348.782 3.968 10 30 EHEERN N#Cc1ccccc1/C=C/C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189854704 1016746194 /nfs/dbraw/zinc/74/61/94/1016746194.db2.gz LOQYVWILLROUFB-MDZDMXLPSA-N 0 0 344.414 3.666 10 30 EHEERN C[C@H](c1cccc(C#N)c1)N1CCCN(C(=O)c2cccs2)CC1 ZINC000189888007 1016753721 /nfs/dbraw/zinc/75/37/21/1016753721.db2.gz ZQEYJWIXVXYELN-OAHLLOKOSA-N 0 0 339.464 3.529 10 30 EHEERN CC1(c2ccccc2)CC(NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000329793864 1032398332 /nfs/dbraw/zinc/39/83/32/1032398332.db2.gz BLSGOFPUHRTOLW-AXIYNFMDSA-N 0 0 342.483 3.648 10 30 EHEERN O=C(NC1CCC(C(F)(F)F)CC1)N[C@@H]1CCC(=O)NC12CCC2 ZINC000328747892 1019774366 /nfs/dbraw/zinc/77/43/66/1019774366.db2.gz PHCUOPMIAIBKNR-HTAVTVPLSA-N 0 0 347.381 3.653 10 30 EHEERN COc1ccc(O)cc1C(=O)/C=C\c1cn(C)nc1-c1cccs1 ZINC000588409643 1020833392 /nfs/dbraw/zinc/83/33/92/1020833392.db2.gz BTVKMTABMWTOHB-ALCCZGGFSA-N 0 0 340.404 3.759 10 30 EHEERN O=C(CNC(=O)CC1CCCC1)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328663744 1022457439 /nfs/dbraw/zinc/45/74/39/1022457439.db2.gz YDAGMAFDQKVMIY-QFBILLFUSA-N 0 0 345.443 3.795 10 30 EHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)NC1(c2ccc(Cl)cc2)CC1 ZINC000328701435 1022470424 /nfs/dbraw/zinc/47/04/24/1022470424.db2.gz NGKOFTVHBNCQCA-CQSZACIVSA-N 0 0 347.846 3.874 10 30 EHEERN NC(=O)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2C[C@]23CCOc2ccccc23)C1 ZINC000328741675 1022479184 /nfs/dbraw/zinc/47/91/84/1022479184.db2.gz NOSFFDHTJJYVPW-BFDPJXHCSA-N 0 0 328.412 3.777 10 30 EHEERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000328764285 1022483504 /nfs/dbraw/zinc/48/35/04/1022483504.db2.gz ZYUCKQXDMNTZJO-SJORKVTESA-N 0 0 342.418 3.518 10 30 EHEERN Cc1cccc(NC(=O)[C@@H](C)N2CCC[C@@H](n3cccn3)C2)c1C ZINC000328726659 1022487762 /nfs/dbraw/zinc/48/77/62/1022487762.db2.gz ZSSHZNIECDOWOM-IAGOWNOFSA-N 0 0 326.444 3.814 10 30 EHEERN Cc1cccc(NC(=O)[C@H](C)N2CCC[C@H](n3cccn3)C2)c1C ZINC000328726660 1022488162 /nfs/dbraw/zinc/48/81/62/1022488162.db2.gz ZSSHZNIECDOWOM-IRXDYDNUSA-N 0 0 326.444 3.814 10 30 EHEERN O=C(Nc1ccnc(Sc2ccccn2)c1)N1C[C@@H]2CCC[C@H]21 ZINC000329939765 1024258802 /nfs/dbraw/zinc/25/88/02/1024258802.db2.gz UAZSZLKYGJHRSV-GXTWGEPZSA-N 0 0 326.425 3.658 10 30 EHEERN C[C@@H]1CCC[C@H](CC(=O)NC[C@@H]2C[C@H](F)CN2c2cccnn2)C1 ZINC000329991068 1024278323 /nfs/dbraw/zinc/27/83/23/1024278323.db2.gz WPPKHECZRQCGEK-UGUYLWEFSA-N 0 0 334.439 3.566 10 30 EHEERN CC[C@]1(O)CCN(C(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)C1 ZINC000330283170 1024382256 /nfs/dbraw/zinc/38/22/56/1024382256.db2.gz WAQWCSTUMNLNGD-LPHOPBHVSA-N 0 0 344.455 3.584 10 30 EHEERN CCn1cc([C@H]2OCC[C@@H]2C(=O)NC[C@H]2CCc3ccccc32)cn1 ZINC000330343076 1025028555 /nfs/dbraw/zinc/02/85/55/1025028555.db2.gz BOQGIKSACIMWLX-AYOQOUSVSA-N 0 0 339.439 3.667 10 30 EHEERN C[C@@H]1CC(CNC(=O)c2cnn(C)c2Cc2ccccc2)C[C@@H](C)O1 ZINC000329000431 1025566703 /nfs/dbraw/zinc/56/67/03/1025566703.db2.gz VQOZTYCWZFDYFC-HUUCEWRRSA-N 0 0 341.455 3.519 10 30 EHEERN C[C@H](CC1CC1)NC(=O)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000329311283 1025743923 /nfs/dbraw/zinc/74/39/23/1025743923.db2.gz GEFYGRXMCXIPDL-CZUORRHYSA-N 0 0 339.443 3.711 10 30 EHEERN C[C@@H]1CC(CNC(=O)N[C@@H]2CCOC3(CCCCC3)C2)C[C@@H](C)O1 ZINC000329316475 1025747508 /nfs/dbraw/zinc/74/75/08/1025747508.db2.gz DZUUICOQWJYSFX-BFYDXBDKSA-N 0 0 338.492 3.576 10 30 EHEERN C[C@@H]1CCC[C@@H](NC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)CC1 ZINC000329391112 1025803973 /nfs/dbraw/zinc/80/39/73/1025803973.db2.gz SPDHMGKISUFKNU-XBVQOTNRSA-N 0 0 336.501 3.639 10 30 EHEERN CC(C)(C)[C@H]1OCC[C@@H]1c1noc(CCc2ccc(C#N)cc2)n1 ZINC000190369865 1027675995 /nfs/dbraw/zinc/67/59/95/1027675995.db2.gz PSMOPGVUSUETCO-RDJZCZTQSA-N 0 0 325.412 3.645 10 30 EHEERN N#Cc1nc(N2CCC(Nc3ccccc3F)CC2)ccc1Cl ZINC000078370358 1027745848 /nfs/dbraw/zinc/74/58/48/1027745848.db2.gz IYZLIJADCIZEAN-UHFFFAOYSA-N 0 0 330.794 3.827 10 30 EHEERN C=C[C@@H](CC(=O)NC1CCN(c2cccc(C)n2)CC1)c1ccccc1 ZINC000135036984 1028163783 /nfs/dbraw/zinc/16/37/83/1028163783.db2.gz IINUWBMBBZFGQU-SFHVURJKSA-N 0 0 349.478 3.835 10 30 EHEERN O=C(Nc1cnc2c(c1)CCCC2)N[C@H]1CCN(c2ccccc2)C1 ZINC000329486981 1030905058 /nfs/dbraw/zinc/90/50/58/1030905058.db2.gz XSBZTJJAKVCKES-INIZCTEOSA-N 0 0 336.439 3.565 10 30 EHEERN C=CCCC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000179791768 1031810013 /nfs/dbraw/zinc/81/00/13/1031810013.db2.gz JQFRGNSYOKCTIM-OAHLLOKOSA-N 0 0 346.446 3.539 10 30 EHEERN CC(C)[C@H]1N(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC12CCC2 ZINC000330178579 1037950713 /nfs/dbraw/zinc/95/07/13/1037950713.db2.gz LSUFHLQVQDXLNR-KBXCAEBGSA-N 0 0 344.455 3.943 10 30 EHEERN O=C(NC[C@@H]1CCCC[C@@H]1O)N[C@@H]1CCCc2sc(Cl)cc21 ZINC000330270707 1042767154 /nfs/dbraw/zinc/76/71/54/1042767154.db2.gz UQZCILQKHTZRIV-UHTWSYAYSA-N 0 0 342.892 3.834 10 30 EHEERN Cc1cc(F)c(Br)cc1NC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000408305011 1042999565 /nfs/dbraw/zinc/99/95/65/1042999565.db2.gz GHIXDPHBUIYEQH-BXKDBHETSA-N 0 0 340.196 3.710 10 30 EHEERN C#CC[C@H](OC(=O)CCCOc1ccc(F)cc1)c1ccccn1 ZINC000105549540 1135953184 /nfs/dbraw/zinc/95/31/84/1135953184.db2.gz XIFPLXKRFUGLPO-SFHVURJKSA-N 0 0 327.355 3.688 10 30 EHEERN O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(O)c(Cl)c1 ZINC000004470544 210195504 /nfs/dbraw/zinc/19/55/04/210195504.db2.gz LOFAXQAAFADMMB-NTEUORMPSA-N 0 0 330.796 3.937 10 30 EHEERN Cc1nn(C)c(Nc2cc(Br)ccc2Cl)c1C#N ZINC000104304643 219373427 /nfs/dbraw/zinc/37/34/27/219373427.db2.gz KAZNAHUCESKYLS-UHFFFAOYSA-N 0 0 325.597 3.760 10 30 EHEERN C=C(C)n1c2cc(C)c(C)cc2n(CC(=O)N(CCC)CCC)c1=O ZINC000040311288 213291279 /nfs/dbraw/zinc/29/12/79/213291279.db2.gz XQNOZDNSSBVVMO-UHFFFAOYSA-N 0 0 343.471 3.559 10 30 EHEERN C=C(C)C(=O)NCc1nc2ccccc2n1CCOc1ccccc1C ZINC000040194206 213280853 /nfs/dbraw/zinc/28/08/53/213280853.db2.gz SCTSFGSGMAEUER-UHFFFAOYSA-N 0 0 349.434 3.616 10 30 EHEERN CCCn1cc(Br)cc1C(=O)Nc1sccc1C#N ZINC000037843534 213169588 /nfs/dbraw/zinc/16/95/88/213169588.db2.gz HARHFCCNDVMFMZ-UHFFFAOYSA-N 0 0 338.230 3.846 10 30 EHEERN COc1cc(CNc2ccccc2C#N)cc(Br)c1O ZINC000019921360 212083906 /nfs/dbraw/zinc/08/39/06/212083906.db2.gz NMUPJVHVVRWJFQ-UHFFFAOYSA-N 0 0 333.185 3.647 10 30 EHEERN O=C1ON=C(c2ccc(F)cc2)/C1=C/c1ccc(N2CCCC2)cc1 ZINC000013836803 211650202 /nfs/dbraw/zinc/65/02/02/211650202.db2.gz ZUPZXTAXIZNDRJ-AQTBWJFISA-N 0 0 336.366 3.770 10 30 EHEERN CC(=O)c1c(N)c(C#N)cn1-c1ccc(OCc2ccccc2)cc1 ZINC000032500719 258003564 /nfs/dbraw/zinc/00/35/64/258003564.db2.gz IIISJVDIXYJUBJ-UHFFFAOYSA-N 0 0 331.375 3.713 10 30 EHEERN C/C=C/C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000685959125 564177069 /nfs/dbraw/zinc/17/70/69/564177069.db2.gz LLKNNHZHJLFQKI-FZOOIIKFSA-N 0 0 333.428 3.630 10 30 EHEERN N#Cc1c(F)cccc1C(=O)N1CCCc2cc(OC(F)F)ccc21 ZINC000187068691 1014835999 /nfs/dbraw/zinc/83/59/99/1014835999.db2.gz OVTIPBSKZOBINM-UHFFFAOYSA-N 0 0 346.308 3.892 10 30 EHEERN Cc1nc([C@@H]2CCCN2CCC(=O)Nc2sccc2C#N)cs1 ZINC000189803885 1016723376 /nfs/dbraw/zinc/72/33/76/1016723376.db2.gz LRGQYEFMZSMANO-AWEZNQCLSA-N 0 0 346.481 3.550 10 30 EHEERN Cc1c(Cl)cnc(N2CCC[C@H]2c2nc3c([nH]2)CCCC3)c1C#N ZINC000275714597 1018230949 /nfs/dbraw/zinc/23/09/49/1018230949.db2.gz SQNBPLDGLUNPNF-INIZCTEOSA-N 0 0 341.846 3.859 10 30 EHEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000333523536 1019860166 /nfs/dbraw/zinc/86/01/66/1019860166.db2.gz OKBZHWLUPYIXIK-ZYHUDNBSSA-N 0 0 349.232 3.535 10 30 EHEERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N(C)c1cc(Cl)ccc1C#N ZINC000156942859 1020565734 /nfs/dbraw/zinc/56/57/34/1020565734.db2.gz FUXXDTRFKDKMOF-PIGZYNQJSA-N 0 0 326.783 3.739 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@@H]1c1cccs1)CCC2 ZINC000328641083 1022451554 /nfs/dbraw/zinc/45/15/54/1022451554.db2.gz DADLHXZSNVFYTH-LSDHHAIUSA-N 0 0 344.484 3.882 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@H]1C1CCCC1)CCC2 ZINC000328736392 1022475780 /nfs/dbraw/zinc/47/57/80/1022475780.db2.gz ZMCASPXQXCYEPR-IRXDYDNUSA-N 0 0 330.476 3.638 10 30 EHEERN O=C(CCc1nc2ccccc2o1)N[C@H]1CCC(=O)NC12CCC2 ZINC000328736583 1022475896 /nfs/dbraw/zinc/47/58/96/1022475896.db2.gz JSNHOEJFYRJTHS-AWEZNQCLSA-N 0 0 327.384 3.759 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)C[C@H]1OCCc3ccccc31)CCC2 ZINC000328773021 1022486317 /nfs/dbraw/zinc/48/63/17/1022486317.db2.gz HJONJKHLKULQJX-FUHWJXTLSA-N 0 0 339.439 3.730 10 30 EHEERN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328882402 1022525065 /nfs/dbraw/zinc/52/50/65/1022525065.db2.gz MSYGXJVXBYGWEK-WCMCAJIFSA-N 0 0 341.455 3.676 10 30 EHEERN Cc1csc([C@H](C)NC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)n1 ZINC000328894130 1022528725 /nfs/dbraw/zinc/52/87/25/1022528725.db2.gz AQBLYKRMYCPRRH-KWCYVHTRSA-N 0 0 330.457 3.637 10 30 EHEERN C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000328893681 1022529797 /nfs/dbraw/zinc/52/97/97/1022529797.db2.gz UOBYQQJTKOZUGY-QUIPCFFLSA-N 0 0 341.455 3.676 10 30 EHEERN C[C@@H]1OCC[C@@H]1NC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000328934899 1022705884 /nfs/dbraw/zinc/70/58/84/1022705884.db2.gz FJMBNLKDORREMO-AAEUAGOBSA-N 0 0 331.416 3.729 10 30 EHEERN CC[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329896801 1024240241 /nfs/dbraw/zinc/24/02/41/1024240241.db2.gz LBYJWQWRKAJKNQ-KKUMJFAQSA-N 0 0 333.476 3.657 10 30 EHEERN Cc1cc(C)n(-c2ccc(NC(=O)N3C[C@H]4CCC[C@@H]43)cc2F)n1 ZINC000329913057 1024246756 /nfs/dbraw/zinc/24/67/56/1024246756.db2.gz BNDUEONOJATIGY-CJNGLKHVSA-N 0 0 328.391 3.658 10 30 EHEERN Cc1ccc(NC(=O)N2C[C@H]3CCC[C@H]32)cc1OCC1CCOCC1 ZINC000329920371 1024248329 /nfs/dbraw/zinc/24/83/29/1024248329.db2.gz GYYHFYOZLIDPOR-SJLPKXTDSA-N 0 0 344.455 3.830 10 30 EHEERN CC(C)n1ncc2c1C[C@H](NC(=O)N1CC[C@@H](C)C[C@H](C)C1)CC2 ZINC000330056411 1024302509 /nfs/dbraw/zinc/30/25/09/1024302509.db2.gz VVALLPWTHUKELR-HLLBOEOZSA-N 0 0 332.492 3.603 10 30 EHEERN O=C(N[C@@H]1CCOC2(CCCCC2)C1)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330080512 1024312114 /nfs/dbraw/zinc/31/21/14/1024312114.db2.gz JJZGSESGOANORO-FGTMMUONSA-N 0 0 344.455 3.998 10 30 EHEERN Cn1cncc1[C@@H]1C[C@H](NC(=O)[C@H]2CCCc3sccc32)CCO1 ZINC000330339943 1024956883 /nfs/dbraw/zinc/95/68/83/1024956883.db2.gz XHGJYBHIDJIHPR-INWMFGNUSA-N 0 0 345.468 3.778 10 30 EHEERN COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)N[C@@H]1CCO[C@@H]1C ZINC000329318909 1025747039 /nfs/dbraw/zinc/74/70/39/1025747039.db2.gz DKWWHQHCOYWMAZ-ABFRBSLYSA-N 0 0 332.444 3.560 10 30 EHEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000329043650 1025780997 /nfs/dbraw/zinc/78/09/97/1025780997.db2.gz UFEJCFHVCKYUKC-KCYZZUKISA-N 0 0 330.432 3.580 10 30 EHEERN CC1(C)C[C@H](NC(=O)N2CCOCC3(CCC3)C2)c2ccccc2O1 ZINC000329520445 1025957270 /nfs/dbraw/zinc/95/72/70/1025957270.db2.gz OJIRIXKCUJNDGJ-INIZCTEOSA-N 0 0 344.455 3.705 10 30 EHEERN Cc1nc(CCNC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)cs1 ZINC000329051635 1026094043 /nfs/dbraw/zinc/09/40/43/1026094043.db2.gz WOXNFNNRRIGALA-MAUKXSAKSA-N 0 0 328.437 3.691 10 30 EHEERN N#Cc1cccnc1-n1cc(N[C@H]2CCCOc3cc(F)ccc32)cn1 ZINC000186015009 1026099371 /nfs/dbraw/zinc/09/93/71/1026099371.db2.gz AOMDXWOUKSCYFO-KRWDZBQOSA-N 0 0 349.369 3.604 10 30 EHEERN O=C(Cc1cc(F)cc2c1OCOC2)N[C@@H]1CCOc2ccccc21 ZINC000329054316 1026148406 /nfs/dbraw/zinc/14/84/06/1026148406.db2.gz XJXJFNZQTGARRT-MRXNPFEDSA-N 0 0 343.354 3.715 10 30 EHEERN CSc1cccc(N(C)C(=O)[C@@H](C)Oc2ccccc2C#N)c1 ZINC000101833784 1027415736 /nfs/dbraw/zinc/41/57/36/1027415736.db2.gz AOHVBEKLOUCGOF-CYBMUJFWSA-N 0 0 326.421 3.710 10 30 EHEERN C[C@H](C#N)Oc1ccccc1NC(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000248404961 1028895707 /nfs/dbraw/zinc/89/57/07/1028895707.db2.gz AJNCARYQJROPIT-UDUZWTERSA-N 0 0 347.418 3.685 10 30 EHEERN CC[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000329250777 1030123159 /nfs/dbraw/zinc/12/31/59/1030123159.db2.gz UOZIIVWZFUCYEI-IWCQGFGOSA-N 0 0 336.501 3.639 10 30 EHEERN CC1(C)CC[C@@H](NC(=O)N2CCc3cncnc3C2)c2ccccc21 ZINC000329287394 1030281780 /nfs/dbraw/zinc/28/17/80/1030281780.db2.gz PDVDAPSTYWZLND-QGZVFWFLSA-N 0 0 336.439 3.561 10 30 EHEERN CON=Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)cc1 ZINC000588583291 1030824947 /nfs/dbraw/zinc/82/49/47/1030824947.db2.gz COCUDPVJHANJST-AWEZNQCLSA-N 0 0 342.361 3.718 10 30 EHEERN Cc1ccc(Cl)c2ccc(NC(=O)[C@@H]3OC[C@H]4COCC[C@@H]43)nc12 ZINC000329602505 1031286628 /nfs/dbraw/zinc/28/66/28/1031286628.db2.gz YBMYNCCPPIGWKX-BWACUDIHSA-N 0 0 346.814 3.836 10 30 EHEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000329699467 1031874387 /nfs/dbraw/zinc/87/43/87/1031874387.db2.gz DCHOKHQQOWSUQV-WMLDXEAASA-N 0 0 347.422 3.620 10 30 EHEERN C=CCOc1cccc(CNCc2ncc(-c3ccccc3)cn2)c1 ZINC000185864852 1035552186 /nfs/dbraw/zinc/55/21/86/1035552186.db2.gz CUHJMEIVGRYLRT-UHFFFAOYSA-N 0 0 331.419 3.998 10 30 EHEERN Cc1cccc2c1OCC[C@H]2NC(=O)c1cccc(SCC#N)c1 ZINC000190130448 1036192874 /nfs/dbraw/zinc/19/28/74/1036192874.db2.gz HKCVTLPIODUTNU-QGZVFWFLSA-N 0 0 338.432 3.864 10 30 EHEERN COc1c(C)cc(CN(C)C(=O)Nc2ccc(F)c(C#N)c2)cc1C ZINC000102954876 1036772799 /nfs/dbraw/zinc/77/27/99/1036772799.db2.gz YMEAPRDSRLVGMW-UHFFFAOYSA-N 0 0 341.386 3.987 10 30 EHEERN C[C@H](Oc1ccccc1C#N)C(=O)N(CC(C)(C)C)CC(F)(F)F ZINC000103935764 1037143857 /nfs/dbraw/zinc/14/38/57/1037143857.db2.gz IUHFPQPVXBQVQJ-LBPRGKRZSA-N 0 0 342.361 3.763 10 30 EHEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000408164109 1041998564 /nfs/dbraw/zinc/99/85/64/1041998564.db2.gz GMRQVDKXTPHTQN-HIFRSBDPSA-N 0 0 341.411 3.932 10 30 EHEERN Cc1cc(C(=O)NCc2cccc(C)n2)c(C)n1-c1ccc(C#N)cc1 ZINC000102914464 1135693094 /nfs/dbraw/zinc/69/30/94/1135693094.db2.gz SHBWPDCTZGFERB-UHFFFAOYSA-N 0 0 344.418 3.599 10 30 EHEERN C=CCC[C@@H](CN(C)Cc1cccnc1)Oc1ccc(C(C)=O)cn1 ZINC000067434486 215145677 /nfs/dbraw/zinc/14/56/77/215145677.db2.gz CRLSDSAXICOWOP-IBGZPJMESA-N 0 0 339.439 3.525 10 30 EHEERN C/C=C/C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000103542743 219313152 /nfs/dbraw/zinc/31/31/52/219313152.db2.gz VFWHAQPIJRRWSO-NSCUHMNNSA-N 0 0 332.162 3.964 10 30 EHEERN CCCn1c2ccccc2c2nnc(N=NCc3ccccc3)nc21 ZINC000040827485 213391555 /nfs/dbraw/zinc/39/15/55/213391555.db2.gz WHPXBSMHLPIPEK-DEDYPNTBSA-N 0 0 330.395 3.836 10 30 EHEERN N#CCN(Cc1ccccc1)C(=O)c1csc(Br)c1 ZINC000038053112 213197933 /nfs/dbraw/zinc/19/79/33/213197933.db2.gz CUPOEQVVFUBNSQ-UHFFFAOYSA-N 0 0 335.226 3.677 10 30 EHEERN C[C@@H]1CC(=O)C2=C(C1)O[C@@H](N)[C@@H](C#N)[C@@H]2c1ccc2ccccc2c1 ZINC000095081072 218274375 /nfs/dbraw/zinc/27/43/75/218274375.db2.gz JWRMOHGINMLIME-SELPUOSPSA-N 0 0 332.403 3.631 10 30 EHEERN CCN(CC)C(=O)[C@H]1CCCN(c2ccc(C#N)c3ccccc32)C1 ZINC000035876072 520540575 /nfs/dbraw/zinc/54/05/75/520540575.db2.gz BKAAOFJAUAUBOP-KRWDZBQOSA-N 0 0 335.451 3.796 10 30 EHEERN Oc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1O ZINC000033428831 526339222 /nfs/dbraw/zinc/33/92/22/526339222.db2.gz NVGYSLAEKMCFGR-LSCVHKIXSA-N 0 0 345.811 3.743 10 30 EHEERN Clc1ccc(/C=N\N2CCN(c3ccccn3)CC2)c(Cl)c1 ZINC000033294737 563915734 /nfs/dbraw/zinc/91/57/34/563915734.db2.gz WONJEZJYSWIFPJ-NDENLUEZSA-N 0 0 335.238 3.545 10 30 EHEERN C[C@H](NC(=O)[C@H]1C[C@@]12CC(C)(C)Oc1ccccc12)c1cnn(C)c1 ZINC000328605779 564136881 /nfs/dbraw/zinc/13/68/81/564136881.db2.gz PBWMURSDIMBFIZ-OWZDWXTDSA-N 0 0 339.439 3.957 10 30 EHEERN Cc1cscc1C(=O)NC[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328630808 564137063 /nfs/dbraw/zinc/13/70/63/564137063.db2.gz QFDSMRRACZZROL-SNVBAGLBSA-N 0 0 343.374 3.839 10 30 EHEERN Cc1cnc([C@@H](C)NC(=O)N2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)o1 ZINC000328616343 1016245167 /nfs/dbraw/zinc/24/51/67/1016245167.db2.gz SKPXJGHLDSIEMJ-CUYVQJCZSA-N 0 0 347.459 3.628 10 30 EHEERN O=C(NCc1cn2c(n1)CCCC2)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000328799482 1021080879 /nfs/dbraw/zinc/08/08/79/1021080879.db2.gz XRAZXTPRUVWGLK-ARFHVFGLSA-N 0 0 330.476 3.582 10 30 EHEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N[C@]1(C#N)CCC[C@@H](C)C1 ZINC000588441045 1022459993 /nfs/dbraw/zinc/45/99/93/1022459993.db2.gz MNDAQMCAKSRONK-HZHIJHGISA-N 0 0 327.384 3.587 10 30 EHEERN C[C@H](CNC(=O)C[C@@H]1CCCCC(=O)N1)N1CCc2sccc2C1 ZINC000328686402 1022468173 /nfs/dbraw/zinc/46/81/73/1022468173.db2.gz YEPXYFDZVHOOOK-HIFRSBDPSA-N 0 0 349.500 3.740 10 30 EHEERN Cc1ccc(F)cc1NC(=O)[C@H](C)N1CCC[C@H](n2cccn2)C1 ZINC000328703738 1022471754 /nfs/dbraw/zinc/47/17/54/1022471754.db2.gz OIWXLTMXPCVTCD-HOCLYGCPSA-N 0 0 330.407 3.644 10 30 EHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N[C@H]1CCCc2sccc21 ZINC000328730343 1022487750 /nfs/dbraw/zinc/48/77/50/1022487750.db2.gz FZRBBVFCLVINLA-GXTWGEPZSA-N 0 0 333.457 3.671 10 30 EHEERN C[C@@H]1OCC[C@H]1NC(=O)NC1(c2c(Cl)cccc2Cl)CC1 ZINC000328975219 1022999647 /nfs/dbraw/zinc/99/96/47/1022999647.db2.gz WCPBGIZAOGZNBZ-JOYOIKCWSA-N 0 0 329.227 3.664 10 30 EHEERN O=C(CN1CCOCc2ccccc21)Nc1nc2c(s1)CCCC2 ZINC000329901373 1024241075 /nfs/dbraw/zinc/24/10/75/1024241075.db2.gz GVXASKYMGWAYQS-UHFFFAOYSA-N 0 0 343.452 3.647 10 30 EHEERN O=C(Nc1ccc(OC(F)F)c2cccnc12)N1C[C@H]2CCC[C@H]21 ZINC000330086161 1024312219 /nfs/dbraw/zinc/31/22/19/1024312219.db2.gz RWUDSDDQRIEIAQ-ZWNOBZJWSA-N 0 0 333.338 3.866 10 30 EHEERN CC(C)(C)[C@@H]1OCCC[C@H]1CNC(=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330103838 1024318053 /nfs/dbraw/zinc/31/80/53/1024318053.db2.gz IVAAWWMGNQIRIG-WNRNVDISSA-N 0 0 346.471 3.957 10 30 EHEERN C[C@H](C1CC1)n1cc(NC(=O)[C@H]2CCO[C@@H]2c2cccnc2)cn1 ZINC000330114821 1024323879 /nfs/dbraw/zinc/32/38/79/1024323879.db2.gz SZZBVZNYJGGQJO-OAUYIBNBSA-N 0 0 326.400 3.615 10 30 EHEERN CC(C)(C)C1CCC(CNC(=O)N2CCc3cncnc3C2)CC1 ZINC000330158254 1024337982 /nfs/dbraw/zinc/33/79/82/1024337982.db2.gz PWDGPHGVUKVBMD-UHFFFAOYSA-N 0 0 330.476 3.601 10 30 EHEERN CC[C@@](C)(NC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C)c1nccs1 ZINC000329015276 1025571502 /nfs/dbraw/zinc/57/15/02/1025571502.db2.gz GBCZQKJGVULZCJ-HBUWYVDXSA-N 0 0 344.484 3.892 10 30 EHEERN C[C@H](NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)[C@@H]1CCCOC1 ZINC000329248936 1025694977 /nfs/dbraw/zinc/69/49/77/1025694977.db2.gz ANPAUEVZNMGGAC-SQWLQELKSA-N 0 0 332.444 3.608 10 30 EHEERN CCCC(=O)N[C@H]1CCCN(C(=O)Nc2cnc3c(c2)CCCC3)C1 ZINC000329323276 1025753530 /nfs/dbraw/zinc/75/35/30/1025753530.db2.gz HKLKTRCOFAORNE-HNNXBMFYSA-N 0 0 344.459 3.727 10 30 EHEERN CC[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc2c(c1)CCO2 ZINC000186028501 1026129252 /nfs/dbraw/zinc/12/92/52/1026129252.db2.gz RYBFBAXLRWSQEK-GOSISDBHSA-N 0 0 345.406 3.637 10 30 EHEERN O=C(Cc1cc(F)cc2c1OCOC2)N[C@H]1CCOc2ccccc21 ZINC000329054311 1026148688 /nfs/dbraw/zinc/14/86/88/1026148688.db2.gz XJXJFNZQTGARRT-INIZCTEOSA-N 0 0 343.354 3.715 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000333571560 1027710081 /nfs/dbraw/zinc/71/00/81/1027710081.db2.gz IRPGUWWOWMXDAJ-OTRWWLKZSA-N 0 0 331.847 3.968 10 30 EHEERN CC(C)Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]3C(=O)NC[C@H]32)cc1 ZINC000329231892 1030050907 /nfs/dbraw/zinc/05/09/07/1030050907.db2.gz KZLGHPDSIBEFIZ-ZTFGCOKTSA-N 0 0 343.471 3.911 10 30 EHEERN Cc1nnc2n1C[C@H](CNC(=O)CC13CC4CC(CC(C4)C1)C3)CC2 ZINC000329354922 1030499562 /nfs/dbraw/zinc/49/95/62/1030499562.db2.gz YQYZDYBFTFXIKV-KMYSJOAASA-N 0 0 342.487 3.712 10 30 EHEERN CC(C)n1cnnc1-c1ccccc1NC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000329525464 1031037764 /nfs/dbraw/zinc/03/77/64/1031037764.db2.gz SQMXUPBDARRRHV-DZGCQCFKSA-N 0 0 338.415 3.544 10 30 EHEERN N#C[C@@H]1CCC[C@H]1NC(=O)N1CCC(=Cc2ccccc2F)CC1 ZINC000329621705 1031449368 /nfs/dbraw/zinc/44/93/68/1031449368.db2.gz GZSSWAVHTXLQMZ-FUHWJXTLSA-N 0 0 327.403 3.911 10 30 EHEERN N#CCCN(Cc1ccco1)C(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000179502018 1031782762 /nfs/dbraw/zinc/78/27/62/1031782762.db2.gz HUOLZANEHWSNOM-UHFFFAOYSA-N 0 0 335.367 3.617 10 30 EHEERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(NCC2CC2)nc1 ZINC000329882413 1033687371 /nfs/dbraw/zinc/68/73/71/1033687371.db2.gz PXEABVRZJFLSOH-ZIAGYGMSSA-N 0 0 341.377 3.751 10 30 EHEERN N#CC1(C(=O)N[C@H]2CCc3cc(Br)ccc32)CCCC1 ZINC000299151368 1034573917 /nfs/dbraw/zinc/57/39/17/1034573917.db2.gz SQTQWQOXMINQHQ-AWEZNQCLSA-N 0 0 333.229 3.637 10 30 EHEERN C[C@H](NCc1ncc(-c2ccccc2)cn1)c1ccc(OCC#N)cc1 ZINC000186062046 1035575114 /nfs/dbraw/zinc/57/51/14/1035575114.db2.gz AJMISCFXPNBUBX-INIZCTEOSA-N 0 0 344.418 3.897 10 30 EHEERN N#Cc1ccc(NC(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000191140025 1036649650 /nfs/dbraw/zinc/64/96/50/1036649650.db2.gz SHQVDHLIGLWJJN-UHFFFAOYSA-N 0 0 333.391 3.659 10 30 EHEERN CSc1cc2c(cc1NC(=O)N1CC[C@H]3CCC[C@@H]31)OCCO2 ZINC000330238199 1040287214 /nfs/dbraw/zinc/28/72/14/1040287214.db2.gz HVDMQRWLZNZXGD-YPMHNXCESA-N 0 0 334.441 3.600 10 30 EHEERN N#Cc1cnc2ccc(Cl)cc2c1N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000301712666 1041849861 /nfs/dbraw/zinc/84/98/61/1041849861.db2.gz LGKYZLCASGMHDQ-IFXJQAMLSA-N 0 0 341.842 3.891 10 30 EHEERN CC1(C#N)CCN(C(=O)C2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC000408165665 1042022193 /nfs/dbraw/zinc/02/21/93/1042022193.db2.gz NMEPTNFPFRXXAZ-UHFFFAOYSA-N 0 0 346.858 3.540 10 30 EHEERN Cc1cccc(NC(=O)N2CC[C@@H]3CCC[C@H]32)c1C(=O)N1CCCC1 ZINC000330256374 1042594352 /nfs/dbraw/zinc/59/43/52/1042594352.db2.gz QBFYMAXWSJWJKU-DOTOQJQBSA-N 0 0 341.455 3.651 10 30 EHEERN CC(C)(C)SCC(=O)OCCOc1c(C#N)cnc2ccccc21 ZINC000102145891 1135464772 /nfs/dbraw/zinc/46/47/72/1135464772.db2.gz DAPXJTBBMYYIMG-UHFFFAOYSA-N 0 0 344.436 3.560 10 30 EHEERN CC(C)(C)OC(=O)N1CCC[C@@H]1c1nnc(-c2cccc(C#N)c2)o1 ZINC000098091300 219082781 /nfs/dbraw/zinc/08/27/81/219082781.db2.gz NJMTTZQFUBZIAR-CQSZACIVSA-N 0 0 340.383 3.680 10 30 EHEERN O=C1CCCC2=C1[C@@H](c1ccccc1Cl)N=C(c1cccnc1)N2 ZINC000045388450 213732555 /nfs/dbraw/zinc/73/25/55/213732555.db2.gz PBMBCQCDFJUCMV-GOSISDBHSA-N 0 0 337.810 3.833 10 30 EHEERN C=CCNC(=O)c1oc2c(c1C)C(=NNc1ccc(F)cc1)CCC2 ZINC000040823843 213389624 /nfs/dbraw/zinc/38/96/24/213389624.db2.gz AZYIACIZUNODTL-HZHRSRAPSA-N 0 0 341.386 3.795 10 30 EHEERN CNC(SCc1ccc(Cl)cc1Cl)=C(C(C)=O)C(C)=O ZINC000040570343 213352331 /nfs/dbraw/zinc/35/23/31/213352331.db2.gz RYDZLMGALLVXGS-UHFFFAOYSA-N 0 0 332.252 3.836 10 30 EHEERN CCNC1=C(c2cc(C)ccn2)C(=O)[C@@H](c2ccccc2Cl)O1 ZINC000039127598 213231621 /nfs/dbraw/zinc/23/16/21/213231621.db2.gz ICHGFWUUTXPFMQ-QGZVFWFLSA-N 0 0 328.799 3.662 10 30 EHEERN O=C(c1ccccc1)C1=C2c3[nH]c4ccccc4c3CCN2C(=O)CC1 ZINC000021729128 212245735 /nfs/dbraw/zinc/24/57/35/212245735.db2.gz KKWNASXRHBPOGS-UHFFFAOYSA-N 0 0 342.398 3.940 10 30 EHEERN C/C(=N\OC(=O)Cc1ccccc1)c1ccc(Br)cc1 ZINC000005725426 518469365 /nfs/dbraw/zinc/46/93/65/518469365.db2.gz BWLALNDSRWBFMN-LDADJPATSA-N 0 0 332.197 3.959 10 30 EHEERN Cc1ccsc1/C=N\N1CCN(Cc2ccccc2Cl)CC1 ZINC000015658615 525815741 /nfs/dbraw/zinc/81/57/41/525815741.db2.gz VOVVYKICEUVJND-UNOMPAQXSA-N 0 0 333.888 3.862 10 30 EHEERN S=C(N/N=C/c1ccc(Cl)c(Cl)c1)N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000001048169 563370117 /nfs/dbraw/zinc/37/01/17/563370117.db2.gz NYOUTNALYUMMJD-CHGUIBACSA-N 0 0 342.295 3.980 10 30 EHEERN CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1F ZINC000100259460 563982476 /nfs/dbraw/zinc/98/24/76/563982476.db2.gz TWKFFRBNVTZGKV-RIBQPWQFSA-N 0 0 345.757 3.531 10 30 EHEERN Cn1c2c(nc1[C@@H]1CCCN1Cc1ccc(F)c(C#N)c1)CCCC2 ZINC000275581681 564009427 /nfs/dbraw/zinc/00/94/27/564009427.db2.gz FSQKOQBUHVYBBW-IBGZPJMESA-N 0 0 338.430 3.647 10 30 EHEERN Cc1ccc([C@@H](C)NC(=O)[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)o1 ZINC000328614996 564136920 /nfs/dbraw/zinc/13/69/20/564136920.db2.gz XMHZSNJNRIVVIZ-WHCBVINPSA-N 0 0 331.416 3.734 10 30 EHEERN CC(=O)N[C@@H](c1nc(Cc2ccccc2Cl)no1)C1CCOCC1 ZINC000328623181 564136989 /nfs/dbraw/zinc/13/69/89/564136989.db2.gz IZTXUQOFDKMFOH-MRXNPFEDSA-N 0 0 349.818 3.758 10 30 EHEERN C=C(COC)C(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960433 564177117 /nfs/dbraw/zinc/17/71/17/564177117.db2.gz LMBVOSJROBZZDM-UHFFFAOYSA-N 0 0 333.428 3.586 10 30 EHEERN C=CCCC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000685961964 564177229 /nfs/dbraw/zinc/17/72/29/564177229.db2.gz QLJKPVBAGNZSSC-KRWDZBQOSA-N 0 0 346.471 3.547 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)NC1(c2ccc(F)cc2F)CCCC1 ZINC000329749430 1032103488 /nfs/dbraw/zinc/10/34/88/1032103488.db2.gz UGKUWPWDSDRPRH-LRDDRELGSA-N 0 0 333.382 3.930 10 30 EHEERN O=C(Nc1cncnc1)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000328632690 1016252895 /nfs/dbraw/zinc/25/28/95/1016252895.db2.gz ANEPEFSORGFYPU-HOCLYGCPSA-N 0 0 344.212 3.731 10 30 EHEERN N#Cc1ccc(CCC(=O)N2CC3(CCOCC3)c3ccccc32)cc1 ZINC000189792537 1016727373 /nfs/dbraw/zinc/72/73/73/1016727373.db2.gz QSEPEESJPIPYHL-UHFFFAOYSA-N 0 0 346.430 3.586 10 30 EHEERN Cc1nc([C@@H]2CCCN2CCCOc2ccc(C#N)cc2)cs1 ZINC000189800284 1016731861 /nfs/dbraw/zinc/73/18/61/1016731861.db2.gz GMTPLJFXZPAQSN-SFHVURJKSA-N 0 0 327.453 3.929 10 30 EHEERN O=C(NC[C@@H]1CCC2(CCCCC2)O1)N[C@H]1CCOc2ccccc21 ZINC000330072394 1017516272 /nfs/dbraw/zinc/51/62/72/1017516272.db2.gz ZAMOCYTXDVXRJV-RDJZCZTQSA-N 0 0 344.455 3.896 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCc2cc(F)ccc21 ZINC000330131477 1017993284 /nfs/dbraw/zinc/99/32/84/1017993284.db2.gz KZESTZALFMMPLJ-JFIYKMOQSA-N 0 0 343.402 3.671 10 30 EHEERN CCn1cc(C(=O)/C=C\c2ccc(Br)cc2OC)cn1 ZINC000588419247 1021185732 /nfs/dbraw/zinc/18/57/32/1021185732.db2.gz LKTOEXLIEPFKBV-ALCCZGGFSA-N 0 0 335.201 3.570 10 30 EHEERN O=C(/C=C\c1ccncn1)Nc1ccccc1C#Cc1ccccc1 ZINC000588439542 1022451157 /nfs/dbraw/zinc/45/11/57/1022451157.db2.gz LCOHFCGJPPIRNU-SEYXRHQNSA-N 0 0 325.371 3.528 10 30 EHEERN C[C@H](NC([O-])=[NH+][C@@H]1CCc2c1cccc2F)[C@H]1COc2ccccc21 ZINC000328843777 1022513774 /nfs/dbraw/zinc/51/37/74/1022513774.db2.gz PPZPMERMXSCLIS-BJOOFOGMSA-N 0 0 340.398 3.881 10 30 EHEERN CC[C@H](NC(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(C)cc1 ZINC000328876380 1022525287 /nfs/dbraw/zinc/52/52/87/1022525287.db2.gz KDOKGPRVXJOTSZ-JZXOWHBKSA-N 0 0 329.444 3.847 10 30 EHEERN C[C@H](c1nc2ccccc2s1)N(C)C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328892763 1022529078 /nfs/dbraw/zinc/52/90/78/1022529078.db2.gz UNECZRLPPAGEMK-DJSGYFEHSA-N 0 0 345.468 3.771 10 30 EHEERN C=CCOc1ccc(/C=C\C(=O)OC2C[C@H](C)O[C@@H](C)C2)cc1OC ZINC000588448938 1022905367 /nfs/dbraw/zinc/90/53/67/1022905367.db2.gz ALLJSKAXKKCNSH-SKJVMOOOSA-N 0 0 346.423 3.772 10 30 EHEERN C[C@H](NC(=O)[C@@H]1CCO[C@H]1c1nccn1C)c1ccc(Cl)s1 ZINC000328969712 1022974790 /nfs/dbraw/zinc/97/47/90/1022974790.db2.gz UMRVJYJDMKVCSO-OPQQBVKSSA-N 0 0 339.848 3.930 10 30 EHEERN C[C@@H]1OCC[C@]1(C)NC(=O)N[C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000329749346 1024173909 /nfs/dbraw/zinc/17/39/09/1024173909.db2.gz HJVAHEKCJDVYJS-GMBSWORKSA-N 0 0 344.455 3.894 10 30 EHEERN O=C(C[C@@H]1CCCCNC1=O)Nc1ccccc1O[C@@H]1CCOC1 ZINC000329812341 1024205343 /nfs/dbraw/zinc/20/53/43/1024205343.db2.gz CHNUQPRUKUZUIY-UONOGXRCSA-N 0 0 332.400 3.589 10 30 EHEERN COc1ccc([C@@H](Nc2cnn(-c3ncccc3C#N)c2)C(C)C)cc1 ZINC000186001527 1024362292 /nfs/dbraw/zinc/36/22/92/1024362292.db2.gz AOCOMZONGUWCOV-IBGZPJMESA-N 0 0 347.422 3.957 10 30 EHEERN COc1ccc([C@H](C)[C@H](C)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000186003477 1024524169 /nfs/dbraw/zinc/52/41/69/1024524169.db2.gz MAKUIEGUHPNGKR-CABCVRRESA-N 0 0 347.422 3.752 10 30 EHEERN Cn1cncc1[C@@H]1C[C@H](NC(=O)[C@@H]2CCCc3sccc32)CCO1 ZINC000330339944 1024957283 /nfs/dbraw/zinc/95/72/83/1024957283.db2.gz XHGJYBHIDJIHPR-XPKDYRNWSA-N 0 0 345.468 3.778 10 30 EHEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCCS1 ZINC000329003155 1025566650 /nfs/dbraw/zinc/56/66/50/1025566650.db2.gz XZKMMIHKSXQIJT-IIAWOOMASA-N 0 0 337.489 3.784 10 30 EHEERN Cc1ccccc1NC(=O)[C@H](C)N1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000329068946 1025587183 /nfs/dbraw/zinc/58/71/83/1025587183.db2.gz XWZGGIMFPGLVTN-ZFWWWQNUSA-N 0 0 340.427 3.721 10 30 EHEERN CC[C@@H]1CCCCN1C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329232773 1025683874 /nfs/dbraw/zinc/68/38/74/1025683874.db2.gz LNILLSZRISZSMW-HUUCEWRRSA-N 0 0 332.492 3.674 10 30 EHEERN COc1ccc(C)cc1[C@H](C)Nc1cnn(-c2ncccc2C#N)c1 ZINC000186015951 1026084625 /nfs/dbraw/zinc/08/46/25/1026084625.db2.gz DXBCUQWJFCAODD-AWEZNQCLSA-N 0 0 333.395 3.629 10 30 EHEERN CCN(C)c1ccc([C@@H](C)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000186019838 1026118908 /nfs/dbraw/zinc/11/89/08/1026118908.db2.gz VQCKUTUUILDJLB-OAHLLOKOSA-N 0 0 346.438 3.768 10 30 EHEERN N#C[C@@H]1CCC[C@H]1NC(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000333553199 1027130942 /nfs/dbraw/zinc/13/09/42/1027130942.db2.gz FYFGBKKWFCDEBS-SWLSCSKDSA-N 0 0 337.345 3.506 10 30 EHEERN C[C@H](NC(=O)c1cccc(SCC#N)c1)[C@@H]1COc2ccccc21 ZINC000128614512 1027457059 /nfs/dbraw/zinc/45/70/59/1027457059.db2.gz HMMVUDDUPHBIEU-GUYCJALGSA-N 0 0 338.432 3.597 10 30 EHEERN C[C@@H]1c2ccccc2O[C@H]1C(=O)N[C@@](C)(C#N)CCc1ccccc1 ZINC000246722047 1028682878 /nfs/dbraw/zinc/68/28/78/1028682878.db2.gz OHQZZRAZKLYBBP-QFIXIFRTSA-N 0 0 334.419 3.582 10 30 EHEERN C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329300271 1030339941 /nfs/dbraw/zinc/33/99/41/1030339941.db2.gz VICQUOFGNPSBEH-KFWWJZLASA-N 0 0 332.492 3.578 10 30 EHEERN COc1ccccc1[C@@H]1CC[C@H](C)CN1C(=O)N[C@@H]1CCO[C@H]1C ZINC000329318910 1030397561 /nfs/dbraw/zinc/39/75/61/1030397561.db2.gz DKWWHQHCOYWMAZ-DIECFANBSA-N 0 0 332.444 3.560 10 30 EHEERN O=C(Nc1ccc2c(c1)CCCO2)N[C@@H]1CCN(c2ccccc2)C1 ZINC000329337260 1030450704 /nfs/dbraw/zinc/45/07/04/1030450704.db2.gz YGMSQIMUKGFGLF-QGZVFWFLSA-N 0 0 337.423 3.616 10 30 EHEERN Cc1nc(C(=O)NC[C@@H]2CCCC[C@@H]2O)c(-c2ccccc2)s1 ZINC000329416931 1030678223 /nfs/dbraw/zinc/67/82/23/1030678223.db2.gz FVIQTBQCVZAMIT-GJZGRUSLSA-N 0 0 330.453 3.974 10 30 EHEERN C=CCN(CCOC)C(=O)/C=C\c1ccc2ccc(Cl)cc2n1 ZINC000588585059 1030985221 /nfs/dbraw/zinc/98/52/21/1030985221.db2.gz NDTFNUVAEDDTOD-HJWRWDBZSA-N 0 0 330.815 3.562 10 30 EHEERN C=C[C@H](CC(=O)N1CCO[C@H](c2ccc(C)o2)C1)c1ccccc1 ZINC000179561162 1031786972 /nfs/dbraw/zinc/78/69/72/1031786972.db2.gz RZCGPPCKYLDFJG-APWZRJJASA-N 0 0 325.408 3.848 10 30 EHEERN COc1ccc2c(c1OC)O/C(=C/c1ccc([N+](=O)[O-])cc1C)C2=O ZINC000588618316 1033516750 /nfs/dbraw/zinc/51/67/50/1033516750.db2.gz MUISLGGPTVOEDJ-OQLLNIDSSA-N 0 0 341.319 3.537 10 30 EHEERN Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2sc(-c3ccccc3)cc2C#N)cn1 ZINC000063937964 1033898087 /nfs/dbraw/zinc/89/80/87/1033898087.db2.gz XVVKUIHWFQRFJJ-HOTGVXAUSA-N 0 0 348.431 3.762 10 30 EHEERN N#CCSc1cccc(C(=O)N2CCO[C@H](c3ccsc3)C2)c1 ZINC000120549177 1033923326 /nfs/dbraw/zinc/92/33/26/1033923326.db2.gz FHFFOYJTECZKCT-INIZCTEOSA-N 0 0 344.461 3.577 10 30 EHEERN C=CCC1(C(=O)N2CC[C@@H](c3cc(OC)cc(OC)c3)C2)CCC1 ZINC000189072211 1036011798 /nfs/dbraw/zinc/01/17/98/1036011798.db2.gz HKDWJPQWKUQPKR-OAHLLOKOSA-N 0 0 329.440 3.766 10 30 EHEERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N[C@H]1CCOC2(CCC2)C1 ZINC000330217267 1038798898 /nfs/dbraw/zinc/79/88/98/1038798898.db2.gz IIUZQZWPSGXGKD-IHRRRGAJSA-N 0 0 348.409 3.960 10 30 EHEERN N#C[C@H]1CCC[C@@H]1NC(=O)N1CCC(=Cc2ccccc2F)CC1 ZINC000332886726 1040159679 /nfs/dbraw/zinc/15/96/79/1040159679.db2.gz GZSSWAVHTXLQMZ-AEFFLSMTSA-N 0 0 327.403 3.707 10 30 EHEERN O=C(Nc1ccc(-n2cccn2)c(Cl)c1)N1CC[C@H]2CCC[C@@H]21 ZINC000330258721 1042649932 /nfs/dbraw/zinc/64/99/32/1042649932.db2.gz RNKSRVZPCUHQOJ-DOMZBBRYSA-N 0 0 330.819 3.946 10 30 EHEERN C#Cc1cccc(N(C)C(=O)c2cnn(-c3cccc(Cl)c3)c2)c1 ZINC000103030048 1132609621 /nfs/dbraw/zinc/60/96/21/1132609621.db2.gz ZZJWWDZEEPAIOE-UHFFFAOYSA-N 0 0 335.794 3.784 10 30 EHEERN CCOc1cccc(/C=C/C(=O)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000102200648 1135488495 /nfs/dbraw/zinc/48/84/95/1135488495.db2.gz DRMSZBREMOYRBA-CSKARUKUSA-N 0 0 339.391 3.948 10 30 EHEERN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1 ZINC000104627310 1137878882 /nfs/dbraw/zinc/87/88/82/1137878882.db2.gz UDGSEFVDMDAIHB-YOEHRIQHSA-N 0 0 341.455 3.683 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)Nc2ccc(F)cc2C#N)cs1 ZINC000189087817 1140319996 /nfs/dbraw/zinc/31/99/96/1140319996.db2.gz LMYFKVMTMCWJGS-HNNXBMFYSA-N 0 0 330.388 3.831 10 30 EHEERN O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc(Cl)c([N+](=O)[O-])c1)OCO2 ZINC000002937952 209942830 /nfs/dbraw/zinc/94/28/30/209942830.db2.gz XPAUSDGRKLSFMA-OMCISZLKSA-N 0 0 349.686 3.636 10 30 EHEERN N#Cc1ccsc1NC(=O)c1cc(Br)cn1C1CC1 ZINC000037843538 213169572 /nfs/dbraw/zinc/16/95/72/213169572.db2.gz BSQYFNXGJGXAFB-UHFFFAOYSA-N 0 0 336.214 3.771 10 30 EHEERN C=CCN1C(=O)/C(=C/c2ccncc2)S/C1=N\c1ccc(O)cc1 ZINC000016904238 211940296 /nfs/dbraw/zinc/94/02/96/211940296.db2.gz NXNIZDQVFUWREY-SOBIRXOSSA-N 0 0 337.404 3.577 10 30 EHEERN CC(=O)[C@]1(O)CC[C@@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C ZINC000334162161 518221615 /nfs/dbraw/zinc/22/16/15/518221615.db2.gz KZUIYQJTUIACIG-ADMSAAITSA-N 0 0 328.452 3.614 10 30 EHEERN C=CCN(Cc1csc(COc2ccc(Cl)cc2)n1)C(C)=O ZINC000036105644 518796436 /nfs/dbraw/zinc/79/64/36/518796436.db2.gz JKJGULNEHWVQOC-UHFFFAOYSA-N 0 0 336.844 3.910 10 30 EHEERN C/C=C/C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 ZINC000685959132 564177063 /nfs/dbraw/zinc/17/70/63/564177063.db2.gz LLKNNHZHJLFQKI-PPSBXMDHSA-N 0 0 333.428 3.630 10 30 EHEERN C=C(C)C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 ZINC000685961327 564177144 /nfs/dbraw/zinc/17/71/44/564177144.db2.gz GBXVRINFCYDEJR-GOEBONIOSA-N 0 0 333.428 3.630 10 30 EHEERN COc1cc(C(=O)/C=C\c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1F ZINC000588594666 1032169405 /nfs/dbraw/zinc/16/94/05/1032169405.db2.gz KBYRRFYMHJDZAP-DAXSKMNVSA-N 0 0 346.270 3.547 10 30 EHEERN CCC[C@]1(C)CCCN(C(=O)NC[C@@H]2CCCn3cc(C)nc32)C1 ZINC000328660133 1022456708 /nfs/dbraw/zinc/45/67/08/1022456708.db2.gz UWNNVQIAWVUAMT-QFBILLFUSA-N 0 0 332.492 3.885 10 30 EHEERN C[C@H](NC(=O)N[C@@H]1CCO[C@@H]1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000328858900 1022516836 /nfs/dbraw/zinc/51/68/36/1022516836.db2.gz YJHUDNDVIVEKRJ-COLVAYQJSA-N 0 0 342.361 3.838 10 30 EHEERN C[C@H](OC1CCCCCC1)C(=O)NC[C@@H]1CCO[C@H]1c1ccnn1C ZINC000328963162 1022555830 /nfs/dbraw/zinc/55/58/30/1022555830.db2.gz RDOFCDNAIRLKKD-RLFYNMQTSA-N 0 0 349.475 3.582 10 30 EHEERN CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C ZINC000328998679 1022563164 /nfs/dbraw/zinc/56/31/64/1022563164.db2.gz VDKPYJZTDGYPFE-MTNOOBJLSA-N 0 0 345.487 3.562 10 30 EHEERN O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCC(c2cc[nH]n2)CC1 ZINC000329859257 1024225331 /nfs/dbraw/zinc/22/53/31/1024225331.db2.gz WOFQXGGGTXYAJR-USXIJHARSA-N 0 0 330.476 3.862 10 30 EHEERN C[C@@H]1CN(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)C[C@H](C2CC2)O1 ZINC000329903793 1024241290 /nfs/dbraw/zinc/24/12/90/1024241290.db2.gz INYDSBFQSCHUHX-MZMPZRCHSA-N 0 0 344.455 3.702 10 30 EHEERN Cc1cc(C)n(-c2ccc(NC(=O)N3C[C@H]4CCC[C@H]43)cc2F)n1 ZINC000329913058 1024246445 /nfs/dbraw/zinc/24/64/45/1024246445.db2.gz BNDUEONOJATIGY-CZUORRHYSA-N 0 0 328.391 3.658 10 30 EHEERN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCC[C@@H]1c1nccs1 ZINC000330215517 1024358573 /nfs/dbraw/zinc/35/85/73/1024358573.db2.gz MMSZIBIAFRNDSR-KFWWJZLASA-N 0 0 337.489 3.645 10 30 EHEERN CC1(C)C[C@H](Nc2cnn(-c3ncccc3C#N)c2)c2ccccc21 ZINC000186002575 1024378718 /nfs/dbraw/zinc/37/87/18/1024378718.db2.gz XRCBJEZVMJABHZ-SFHVURJKSA-N 0 0 329.407 3.973 10 30 EHEERN COc1ccc2c(c1)CCC[C@@H]2CNC(=O)[C@]1(C)CCCNC1=O ZINC000330317649 1024702534 /nfs/dbraw/zinc/70/25/34/1024702534.db2.gz QLFTWXRKCKACSP-AUUYWEPGSA-N 0 0 330.428 3.828 10 30 EHEERN C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N[C@H](C#N)C1CCCCC1 ZINC000329136269 1025623191 /nfs/dbraw/zinc/62/31/91/1025623191.db2.gz QYTVOXOOBBYBBI-DJIMGWMZSA-N 0 0 326.444 3.583 10 30 EHEERN O=C(C[C@@H]1C[C@H]1c1ccccc1)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O ZINC000329153885 1025630712 /nfs/dbraw/zinc/63/07/12/1025630712.db2.gz BTONXUYMZJBPEX-XMDUPGNXSA-N 0 0 341.411 3.560 10 30 EHEERN O=C(C[C@@H]1CCCCNC1=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000329244968 1025692864 /nfs/dbraw/zinc/69/28/64/1025692864.db2.gz QGUOCHJOWROBMA-ZWKOTPCHSA-N 0 0 343.471 3.927 10 30 EHEERN Cc1cc(C(C)C)nc(N2CCN([C@H](C)c3cccc(C#N)c3)CC2)n1 ZINC000187728278 1025750005 /nfs/dbraw/zinc/75/00/05/1025750005.db2.gz UEYBYULUSRNHGG-QGZVFWFLSA-N 0 0 349.482 3.663 10 30 EHEERN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)C[C@@H]2CCC[C@@H](C)C2)C1 ZINC000329556794 1025996134 /nfs/dbraw/zinc/99/61/34/1025996134.db2.gz QJLILGOHFJBNCP-FVQBIDKESA-N 0 0 346.475 3.940 10 30 EHEERN C#Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)c1 ZINC000043984490 1027140835 /nfs/dbraw/zinc/14/08/35/1027140835.db2.gz UXDMLXUBKMSRSR-KRWDZBQOSA-N 0 0 347.418 3.551 10 30 EHEERN N#Cc1ccc(N2CCC(Nc3ccccc3F)CC2)c([N+](=O)[O-])c1 ZINC000078370433 1027745889 /nfs/dbraw/zinc/74/58/89/1027745889.db2.gz CFZXMGQHPVHINN-UHFFFAOYSA-N 0 0 340.358 3.686 10 30 EHEERN Cc1ccc(C#N)cc1NC(=O)NC1CCN(c2cccs2)CC1 ZINC000176566442 1029385888 /nfs/dbraw/zinc/38/58/88/1029385888.db2.gz AOFYMBNLDCLLHR-UHFFFAOYSA-N 0 0 340.452 3.719 10 30 EHEERN Cc1noc([C@H]2CCCN2C(=O)NC2CCC(C(F)(F)F)CC2)n1 ZINC000329215376 1030022381 /nfs/dbraw/zinc/02/23/81/1030022381.db2.gz MOVSQMLGBABIQB-HTAVTVPLSA-N 0 0 346.353 3.550 10 30 EHEERN Cc1ccccc1[C@@H](NC(=O)N1CCC(c2cc[nH]n2)CC1)C1CC1 ZINC000329469520 1030845255 /nfs/dbraw/zinc/84/52/55/1030845255.db2.gz XNPOFZCCMGVYFS-IBGZPJMESA-N 0 0 338.455 3.963 10 30 EHEERN C[S@](=O)c1cccc(NC(=O)[C@H]2C[C@@]23CCOc2ccccc23)c1 ZINC000329646645 1031586373 /nfs/dbraw/zinc/58/63/73/1031586373.db2.gz DPZFORJCGGBBOL-XKPFWTEKSA-N 0 0 341.432 3.752 10 30 EHEERN C=C[C@@H](CC(=O)N1CCO[C@@H](c2ccc(C)o2)C1)c1ccccc1 ZINC000179561200 1031788049 /nfs/dbraw/zinc/78/80/49/1031788049.db2.gz RZCGPPCKYLDFJG-QFBILLFUSA-N 0 0 325.408 3.848 10 30 EHEERN CN(C)c1ccc(C(=O)/C=C\c2ccc3c(c2)sc(=O)n3C)cc1 ZINC000588590195 1031996401 /nfs/dbraw/zinc/99/64/01/1031996401.db2.gz HABUKRJXXFNENV-WZUFQYTHSA-N 0 0 338.432 3.562 10 30 EHEERN CC(C)(CNC(=O)[C@@H]1CCCCC(=O)N1)c1ccc2c(c1)OCO2 ZINC000329877384 1033607917 /nfs/dbraw/zinc/60/79/17/1033607917.db2.gz JGGPVQKVQMVWEN-ZDUSSCGKSA-N 0 0 332.400 3.549 10 30 EHEERN Cc1cccc2c1OCC[C@@H]2NC(=O)/C=C/c1ccc(OCC#N)cc1 ZINC000190651080 1036271768 /nfs/dbraw/zinc/27/17/68/1036271768.db2.gz LFXYQLBKPVSRAH-VQFGERMISA-N 0 0 348.402 3.551 10 30 EHEERN CSc1c(F)cccc1C(=O)N1CCC[C@@]2(CCCCO2)[C@H]1C#N ZINC000408412345 1039723147 /nfs/dbraw/zinc/72/31/47/1039723147.db2.gz ADRJHODIGHGUBZ-QAPCUYQASA-N 0 0 348.443 3.615 10 30 EHEERN CSc1c(F)cccc1C(=O)N1CCC[C@]2(CCCCO2)[C@H]1C#N ZINC000408412343 1039723369 /nfs/dbraw/zinc/72/33/69/1039723369.db2.gz ADRJHODIGHGUBZ-CRAIPNDOSA-N 0 0 348.443 3.615 10 30 EHEERN Cc1nc([C@H](C)NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)N3C)cs1 ZINC000330246846 1041371620 /nfs/dbraw/zinc/37/16/20/1041371620.db2.gz YMAPJUHSXYLRMT-VHSXEESVSA-N 0 0 344.440 3.944 10 30 EHEERN N#Cc1ccc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)cc1 ZINC000190288115 1042559308 /nfs/dbraw/zinc/55/93/08/1042559308.db2.gz AXKXEYKXURPBPO-OAHLLOKOSA-N 0 0 326.346 3.856 10 30 EHEERN Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCCc3cc(F)ccc32)cn1 ZINC000330334131 1042915092 /nfs/dbraw/zinc/91/50/92/1042915092.db2.gz QJKDVHRJHLUECS-RCCFBDPRSA-N 0 0 343.402 3.671 10 30 EHEERN N#CC1(CS(=O)(=O)N2CCCC[C@H]2c2ccco2)CCCCC1 ZINC000408310926 1043035994 /nfs/dbraw/zinc/03/59/94/1043035994.db2.gz VGQSXGPPSXVXLT-HNNXBMFYSA-N 0 0 336.457 3.610 10 30 EHEERN COc1ccccc1/C=C/C(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000102200902 1135488558 /nfs/dbraw/zinc/48/85/58/1135488558.db2.gz ZDXYJUISNMGQJO-CSKARUKUSA-N 0 0 325.364 3.558 10 30 EHEERN CC(C)CCN(CCC#N)C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 ZINC000103440247 1137876418 /nfs/dbraw/zinc/87/64/18/1137876418.db2.gz BFKGPZIGYKQAFI-YJBOKZPZSA-N 0 0 341.455 3.683 10 30 EHEERN N#C[C@@H]1CN(C(=O)Nc2cnc3c(c2)CCCC3)C[C@H]1c1ccccc1 ZINC000333534646 1138301328 /nfs/dbraw/zinc/30/13/28/1138301328.db2.gz QVUUCUQGUJJJPT-MJGOQNOKSA-N 0 0 346.434 3.731 10 30 EHEERN N#Cc1ccc(NC(=O)c2cccc(Cl)n2)c(Br)c1 ZINC000051073513 214077293 /nfs/dbraw/zinc/07/72/93/214077293.db2.gz OMXCOCULUXVEQZ-UHFFFAOYSA-N 0 0 336.576 3.621 10 30 EHEERN O=S(=O)(c1ccc(/N=C\c2ccc(Cl)cc2)cc1)N1CCCC1 ZINC000100221158 219095303 /nfs/dbraw/zinc/09/53/03/219095303.db2.gz HEIKYKSNKMQEHI-UYRXBGFRSA-N 0 0 348.855 3.875 10 30 EHEERN CCn1c2ccc(C)cc2c2nnc(N=NCc3ccccc3)nc21 ZINC000040827503 213391970 /nfs/dbraw/zinc/39/19/70/213391970.db2.gz OUDBDWZIRBWMRG-UDWIEESQSA-N 0 0 330.395 3.754 10 30 EHEERN Cc1c(C(=O)NC(C)C)oc2c1C(=NNc1ccccc1)CCC2 ZINC000040824173 213389453 /nfs/dbraw/zinc/38/94/53/213389453.db2.gz SXEGRYMWNRMZLZ-PXLXIMEGSA-N 0 0 325.412 3.879 10 30 EHEERN CN(c1oc(-c2ccccc2[N+](=O)[O-])nc1C#N)C1CCCCC1 ZINC000040373791 213293239 /nfs/dbraw/zinc/29/32/39/213293239.db2.gz KNQATECEXJLTNV-UHFFFAOYSA-N 0 0 326.356 3.890 10 30 EHEERN S=C(N/N=C/C=C/c1ccccc1)N[C@@H]1C[C@H]2C[C@@H]1[C@@H]1C=CC[C@@H]21 ZINC000013465108 211561629 /nfs/dbraw/zinc/56/16/29/211561629.db2.gz DFVAJBDCDZHHJV-TZHRGHQTSA-N 0 0 337.492 3.750 10 30 EHEERN O=[N+]([O-])c1ccc(CN=Nc2ncc(C(F)(F)F)cc2Cl)o1 ZINC000004979406 210345908 /nfs/dbraw/zinc/34/59/08/210345908.db2.gz GTLVOKMCMOTNAY-YAXRCOADSA-N 0 0 334.641 3.701 10 30 EHEERN O=C(O/N=C(/c1ccccc1)c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000006863884 526412655 /nfs/dbraw/zinc/41/26/55/526412655.db2.gz IPVILHBYQKQCHX-UZYVYHOESA-N 0 0 347.330 3.599 10 30 EHEERN Cn1ccc(C(=O)/C=C/c2ccc(COc3ccc(F)cc3F)o2)n1 ZINC000033797132 527337648 /nfs/dbraw/zinc/33/76/48/527337648.db2.gz CEHPJOMDFVFXHV-AATRIKPKSA-N 0 0 344.317 3.766 10 30 EHEERN O=[N+]([O-])c1cccc(/C=N/OCc2coc(-c3cccc(F)c3)n2)c1 ZINC000026776793 527384781 /nfs/dbraw/zinc/38/47/81/527384781.db2.gz BQRSUSFXJFLOHP-DJKKODMXSA-N 0 0 341.298 3.940 10 30 EHEERN C/C(=N/O)c1ccc(NC=C2C=C(Br)C=CC2=O)cc1 ZINC000215766477 564130085 /nfs/dbraw/zinc/13/00/85/564130085.db2.gz WBTMKQPTOTUMHE-LSZWCIJZSA-N 0 0 333.185 3.598 10 30 EHEERN CC(C)c1noc([C@H](NC(=O)[C@H](C)n2cccc2)C2CCOCC2)n1 ZINC000328610154 564136852 /nfs/dbraw/zinc/13/68/52/564136852.db2.gz GRPJACGPVNYPKC-DZGCQCFKSA-N 0 0 346.431 3.680 10 30 EHEERN Cc1cc(C(=O)N[C@H](c2nc(C)no2)C2CCOCC2)c(C)s1 ZINC000328614671 564136910 /nfs/dbraw/zinc/13/69/10/564136910.db2.gz WPJLRFXNQNJIDO-AWEZNQCLSA-N 0 0 335.429 3.529 10 30 EHEERN N#Cc1ccc(OC2CN(C(=O)Nc3ccsc3Cl)C2)cc1 ZINC000189433369 1016528670 /nfs/dbraw/zinc/52/86/70/1016528670.db2.gz FRKJRTHLIOBRDT-UHFFFAOYSA-N 0 0 333.800 3.568 10 30 EHEERN Cn1c(=O)sc2cc(/C=C\C(=O)c3cc(F)cc(F)c3)ccc21 ZINC000588598922 1032450286 /nfs/dbraw/zinc/45/02/86/1032450286.db2.gz JZTVAGYOLJDQBZ-HYXAFXHYSA-N 0 0 331.343 3.774 10 30 EHEERN COC(=O)[C@@H](c1cccc(C#N)c1)N1CC=C(c2cccs2)CC1 ZINC000083198757 1018516608 /nfs/dbraw/zinc/51/66/08/1018516608.db2.gz QSLVEXMCNUUSIE-GOSISDBHSA-N 0 0 338.432 3.623 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CCn2c(cc3c2cccc3Cl)C1 ZINC000333351366 1019379672 /nfs/dbraw/zinc/37/96/72/1019379672.db2.gz VWBBZISCSFQKRQ-LRDDRELGSA-N 0 0 342.830 3.512 10 30 EHEERN Cc1nc(-c2ccccc2NC(=O)N[C@@H]2CCC[C@@H]2C#N)cs1 ZINC000333436920 1019558066 /nfs/dbraw/zinc/55/80/66/1019558066.db2.gz LAVUMKZPQQKZOA-TZMCWYRMSA-N 0 0 326.425 3.932 10 30 EHEERN COCCn1nc(C)c(C(=O)/C=C\c2cccc3cnccc23)c1C ZINC000588423133 1021379235 /nfs/dbraw/zinc/37/92/35/1021379235.db2.gz DZGMVDRYWYYREA-FPLPWBNLSA-N 0 0 335.407 3.591 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000334108990 1022387411 /nfs/dbraw/zinc/38/74/11/1022387411.db2.gz AGINKAQVLOCCBC-WTTBNOFXSA-N 0 0 331.847 3.968 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N(C)[C@H](C)c1ccc(F)cc1)CCC2 ZINC000328657876 1022455246 /nfs/dbraw/zinc/45/52/46/1022455246.db2.gz PXLSJEDKRCOHCI-ZBFHGGJFSA-N 0 0 344.434 3.815 10 30 EHEERN C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N[C@@H](C#N)C1CCCCC1 ZINC000588441299 1022461260 /nfs/dbraw/zinc/46/12/60/1022461260.db2.gz UPDMTJKWZYVGEM-HVJHFUJKSA-N 0 0 327.384 3.587 10 30 EHEERN O=C(N[C@@H]1CCC(=O)NC12CCC2)N1CCC[C@@]2(CC=CCC2)C1 ZINC000328744870 1022479083 /nfs/dbraw/zinc/47/90/83/1022479083.db2.gz OCONEIKVGVPQTK-QAPCUYQASA-N 0 0 331.460 3.764 10 30 EHEERN CC1(C)SC[C@@H]1NC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 ZINC000328766955 1022484583 /nfs/dbraw/zinc/48/45/83/1022484583.db2.gz PRGAWSJOINHERI-KGLIPLIRSA-N 0 0 330.457 3.508 10 30 EHEERN CC1(C)C[C@H](NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)c2ccccc21 ZINC000328861991 1022519070 /nfs/dbraw/zinc/51/90/70/1022519070.db2.gz FLONRQHWLPRGPT-RYRKJORJSA-N 0 0 341.455 3.810 10 30 EHEERN CCOc1cccc2cc([C@H](C)NC(=O)N[C@@H]3CCO[C@H]3C)oc21 ZINC000328908872 1022607986 /nfs/dbraw/zinc/60/79/86/1022607986.db2.gz DGQDFAKSEKSEAN-SGMGOOAPSA-N 0 0 332.400 3.574 10 30 EHEERN C[C@H](NC(=O)Nc1scnc1C1CC1)c1ccc2c(c1)OCCO2 ZINC000328946958 1022770341 /nfs/dbraw/zinc/77/03/41/1022770341.db2.gz VOQZONLQHCFFOT-JTQLQIEISA-N 0 0 345.424 3.879 10 30 EHEERN COc1ccc([C@@H]2CCCCCN2C(=O)N[C@@H]2CCO[C@H]2C)cc1 ZINC000328981205 1023001436 /nfs/dbraw/zinc/00/14/36/1023001436.db2.gz YCMUJBIQYITXOQ-QGTPRVQTSA-N 0 0 332.444 3.704 10 30 EHEERN Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)/C=C\c1ccccc1C#N ZINC000588473085 1023735238 /nfs/dbraw/zinc/73/52/38/1023735238.db2.gz TZDVFYBEPSNLAG-BMSUMIBZSA-N 0 0 336.439 3.709 10 30 EHEERN O=C(N[C@@H]1CCCCC12CCCC2)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000329749253 1024172935 /nfs/dbraw/zinc/17/29/35/1024172935.db2.gz UCVBKMQXBWJBKP-HUUCEWRRSA-N 0 0 339.501 3.661 10 30 EHEERN Cc1nc([C@H]2CCCN(C([O-])=[NH+]c3c(C)noc3C)C2)sc1C ZINC000329743977 1024173979 /nfs/dbraw/zinc/17/39/79/1024173979.db2.gz QJFUVHZQWHFGSA-ZDUSSCGKSA-N 0 0 334.445 3.790 10 30 EHEERN O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)N1C[C@@H]2CCC[C@H]21 ZINC000329926861 1024250236 /nfs/dbraw/zinc/25/02/36/1024250236.db2.gz LBPRBMHRFOGGPY-XHDPSFHLSA-N 0 0 342.374 3.783 10 30 EHEERN O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)N1C[C@@H]2CCC[C@@H]21 ZINC000329926860 1024251540 /nfs/dbraw/zinc/25/15/40/1024251540.db2.gz LBPRBMHRFOGGPY-NHYWBVRUSA-N 0 0 342.374 3.783 10 30 EHEERN CC1(C)CCCC[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1 ZINC000329982732 1024274951 /nfs/dbraw/zinc/27/49/51/1024274951.db2.gz PCUBRAWVATWIOE-KKUMJFAQSA-N 0 0 334.439 3.566 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCc2ccccc21 ZINC000330115024 1024324957 /nfs/dbraw/zinc/32/49/57/1024324957.db2.gz FILSHXSSZTUMRS-SOLBZPMBSA-N 0 0 325.412 3.532 10 30 EHEERN Cc1c([C@H]2OCC[C@@H]2C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)cnn1C ZINC000330283815 1024384183 /nfs/dbraw/zinc/38/41/83/1024384183.db2.gz WQBKUUIGJAPBBS-IDCNUPLLSA-N 0 0 331.460 3.731 10 30 EHEERN C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCS[C@@H](C)C1 ZINC000329017374 1025572261 /nfs/dbraw/zinc/57/22/61/1025572261.db2.gz RAQKMZURIWVLEG-WDEREUQCSA-N 0 0 335.498 3.522 10 30 EHEERN CC1(C)C[C@@H](NC(=O)N2CCOCC3(CCC3)C2)c2ccccc2O1 ZINC000329520446 1025956406 /nfs/dbraw/zinc/95/64/06/1025956406.db2.gz OJIRIXKCUJNDGJ-MRXNPFEDSA-N 0 0 344.455 3.705 10 30 EHEERN CC[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1cc(F)ccc1F ZINC000186023728 1026124424 /nfs/dbraw/zinc/12/44/24/1026124424.db2.gz HEOPCYSRBMZSNG-QGZVFWFLSA-N 0 0 339.349 3.980 10 30 EHEERN N#Cc1cccnc1-n1cc(N[C@H]2CCc3cc(Cl)ccc32)cn1 ZINC000186028317 1026128280 /nfs/dbraw/zinc/12/82/80/1026128280.db2.gz LNRSDHAVLHXQHH-KRWDZBQOSA-N 0 0 335.798 3.892 10 30 EHEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc2c(c1)CCC2 ZINC000186028231 1026129377 /nfs/dbraw/zinc/12/93/77/1026129377.db2.gz UUANUERDYUIYGW-CQSZACIVSA-N 0 0 329.407 3.801 10 30 EHEERN COc1ccccc1CCN(C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000104978755 1027305111 /nfs/dbraw/zinc/30/51/11/1027305111.db2.gz HOJHGNSCTMUZAG-UHFFFAOYSA-N 0 0 343.814 3.927 10 30 EHEERN NC(=NOCCOc1c(Cl)cccc1Cl)c1ccsc1 ZINC000105032826 1042697521 /nfs/dbraw/zinc/69/75/21/1042697521.db2.gz YVKYIZMEEQSERE-UHFFFAOYSA-N 0 0 331.224 3.771 10 30 EHEERN O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)N1CC[C@H]2CCC[C@@H]21 ZINC000330265293 1042738779 /nfs/dbraw/zinc/73/87/79/1042738779.db2.gz ZBHKTMPSHRERQM-JLSDUUJJSA-N 0 0 330.428 3.664 10 30 EHEERN Cc1ccc([C@H](C)NC(=O)N[C@H]2CCOC3(CCOCC3)C2)c(C)c1 ZINC000330273230 1042773173 /nfs/dbraw/zinc/77/31/73/1042773173.db2.gz YWOMPGFVYSEFJG-IRXDYDNUSA-N 0 0 346.471 3.596 10 30 EHEERN N#Cc1c2c(sc1NC(=O)[C@@H]1CCCc3cccnc31)CCCC2 ZINC000193805608 1121680302 /nfs/dbraw/zinc/68/03/02/1121680302.db2.gz CNTVMTVNOPWFPC-CQSZACIVSA-N 0 0 337.448 3.952 10 30 EHEERN Cc1cc([N+](=O)[O-])ccc1C(=O)OC[C@@H](C#N)Cc1ccc(F)cc1 ZINC000102126159 1135461139 /nfs/dbraw/zinc/46/11/39/1135461139.db2.gz UQWFKVAWDJDTBH-CQSZACIVSA-N 0 0 342.326 3.582 10 30 EHEERN N/C(=N/O)c1cc(Cl)ccc1Oc1cccc(Br)c1 ZINC000052860768 214151159 /nfs/dbraw/zinc/15/11/59/214151159.db2.gz QOGHTLZEOBAWHZ-UHFFFAOYSA-N 0 0 341.592 3.989 10 30 EHEERN COc1cccc(CN=Nc2ncc(C(F)(F)F)cc2Cl)c1O ZINC000003909377 210091064 /nfs/dbraw/zinc/09/10/64/210091064.db2.gz BIRYQOWPDFSTTB-CGOBSMCZSA-N 0 0 345.708 3.914 10 30 EHEERN C=CCNc1ncnc(Nc2ccc(OCCCC)cc2)c1[N+](=O)[O-] ZINC000040598619 213356419 /nfs/dbraw/zinc/35/64/19/213356419.db2.gz CDQRIKTXURUBJG-UHFFFAOYSA-N 0 0 343.387 3.905 10 30 EHEERN COc1ccc(/C=C2/N=C(SC)SC2=O)cc1Br ZINC000000199577 209479184 /nfs/dbraw/zinc/47/91/84/209479184.db2.gz WEBQBZVQQKVABN-RMKNXTFCSA-N 0 0 344.255 3.791 10 30 EHEERN N#Cc1ccc(-c2cc(NCc3cccnc3)nc3[nH]ccc32)cn1 ZINC000072472816 216250356 /nfs/dbraw/zinc/25/03/56/216250356.db2.gz JOTJAGACODBJPA-UHFFFAOYSA-N 0 0 326.363 3.504 10 30 EHEERN C/C(=N\O)c1ccccc1NC(=O)c1cccc(Br)c1 ZINC000019802534 212070275 /nfs/dbraw/zinc/07/02/75/212070275.db2.gz DUCSQUHUWFWHDW-VCHYOVAHSA-N 0 0 333.185 3.900 10 30 EHEERN CC/N=c1\scc(-c2ccc(F)cc2)n1/N=C/c1ccccn1 ZINC000012486740 211393374 /nfs/dbraw/zinc/39/33/74/211393374.db2.gz UJJBDPNIXIBLCW-KVPOIBJCSA-N 0 0 326.400 3.554 10 30 EHEERN N#C[C@]12C(=O)NC(=N)[C@@]1(C#N)[C@@H](c1ccccc1)OC1=C2CCCC1 ZINC000096336645 218744693 /nfs/dbraw/zinc/74/46/93/218744693.db2.gz CZTPWQSTQHNKBF-AYOQOUSVSA-N 0 0 332.363 3.553 10 30 EHEERN Brc1ccccc1CN=Nc1nncc2ccccc21 ZINC000005119702 210393480 /nfs/dbraw/zinc/39/34/80/210393480.db2.gz UQTVFMOOYLUYJI-VCHYOVAHSA-N 0 0 327.185 3.838 10 30 EHEERN COCC/N=c1\scc(-c2cccs2)n1/N=C(\C)c1ccco1 ZINC000101004581 522832511 /nfs/dbraw/zinc/83/25/11/522832511.db2.gz QSEXTKQPFOPHJI-JFXMLQPQSA-N 0 0 347.465 3.691 10 30 EHEERN CCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C ZINC000085432980 571781064 /nfs/dbraw/zinc/78/10/64/571781064.db2.gz FPUYBGZEWPJSDX-MRXNPFEDSA-O 0 0 330.489 3.610 10 30 endogenous,in-man EHEERN Cc1cc(C(=O)N[C@H]2CCC[C@H]2C#N)cc(Cl)c1Br ZINC000408005920 1016860607 /nfs/dbraw/zinc/86/06/07/1016860607.db2.gz UAPOIPTTXMPENN-CABZTGNLSA-N 0 0 341.636 3.833 10 30 EHEERN Cc1noc2nc(C(C)C)cc(C(=O)N[C@H](C)C[C@H]3CCCO3)c12 ZINC000328725031 1019286986 /nfs/dbraw/zinc/28/69/86/1019286986.db2.gz YXDOACLNAKEGRH-DGCLKSJQSA-N 0 0 331.416 3.917 10 30 EHEERN COc1ccc([C@H]2C[C@@H](C)N(C(=O)c3cc(C#N)cs3)C2)cc1 ZINC000084112717 1020971447 /nfs/dbraw/zinc/97/14/47/1020971447.db2.gz PTHJDWPAHMZGKI-DOMZBBRYSA-N 0 0 326.421 3.647 10 30 EHEERN COc1ccc([C@@H]2C[C@@H](C)N(C(=O)Nc3cccc(C#N)c3)C2)cc1 ZINC000120799205 1022217688 /nfs/dbraw/zinc/21/76/88/1022217688.db2.gz YMEOBANKYXYTKE-RHSMWYFYSA-N 0 0 335.407 3.977 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000334108987 1022385646 /nfs/dbraw/zinc/38/56/46/1022385646.db2.gz AGINKAQVLOCCBC-DIECFANBSA-N 0 0 331.847 3.968 10 30 EHEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Oc1ccc(C#N)cc1F ZINC000588440567 1022458669 /nfs/dbraw/zinc/45/86/69/1022458669.db2.gz GSJOTICTTXZTEV-FLIBITNWSA-N 0 0 326.283 3.614 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@]3(CC=CCC3)C1)CCC2 ZINC000328722316 1022464071 /nfs/dbraw/zinc/46/40/71/1022464071.db2.gz RUJYPHPBLIOORC-FXAWDEMLSA-N 0 0 342.487 3.805 10 30 EHEERN Cc1cn2c(n1)[C@@H](CNC(=O)N(C)[C@@H](C)c1ccc(C)cc1)CCC2 ZINC000328733532 1022489754 /nfs/dbraw/zinc/48/97/54/1022489754.db2.gz YCPMKSFMUBYMMK-FUHWJXTLSA-N 0 0 340.471 3.984 10 30 EHEERN Cc1ccc(C[C@H](C)N(C)C(=O)N[C@@H]2CCC(=O)N[C@@H]2C2CC2)cc1 ZINC000328849596 1022515659 /nfs/dbraw/zinc/51/56/59/1022515659.db2.gz BHVBIHQITSQSDG-POZUXBRTSA-N 0 0 343.471 3.669 10 30 EHEERN CC(C)c1ccc2c(c1)[C@H](NC(=O)N1CC[C@@H](CCO)C1)CCC2 ZINC000328946176 1022537385 /nfs/dbraw/zinc/53/73/85/1022537385.db2.gz VINDPHYBKIWMLU-HNAYVOBHSA-N 0 0 330.472 3.806 10 30 EHEERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)C[C@@H]1C[C@H]1c1ccccc1)CC2 ZINC000328929553 1022547778 /nfs/dbraw/zinc/54/77/78/1022547778.db2.gz YPSSETUOTJGOIB-ULQDDVLXSA-N 0 0 338.455 3.867 10 30 EHEERN CC(C)[C@@H]1OCCC[C@H]1CNC(=O)[C@@H]1CN(c2ccccn2)C[C@H]1C ZINC000328998681 1022562528 /nfs/dbraw/zinc/56/25/28/1022562528.db2.gz VDKPYJZTDGYPFE-NTDBWNAOSA-N 0 0 345.487 3.562 10 30 EHEERN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C#N)c1nc(C)cs1 ZINC000588447580 1022814936 /nfs/dbraw/zinc/81/49/36/1022814936.db2.gz NOVGYLHEGJXDRA-YHAOYDPOSA-N 0 0 327.365 3.640 10 30 EHEERN O=C(C[C@@H]1CCCCC(=O)N1)NC[C@H]1CCN(c2ccccc2)C1 ZINC000329841703 1024220390 /nfs/dbraw/zinc/22/03/90/1024220390.db2.gz OQOKWRZTNLHGPV-CVEARBPZSA-N 0 0 329.444 3.759 10 30 EHEERN Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@H]32)c(-c2nc(C3CC3)no2)c1 ZINC000329916780 1024249802 /nfs/dbraw/zinc/24/98/02/1024249802.db2.gz DWHRVJFEIJHXBI-XJKSGUPXSA-N 0 0 338.411 3.952 10 30 EHEERN CCc1noc(-c2ccc(C)c(NC(=O)N3C[C@@H]4CCC[C@@H]43)c2)n1 ZINC000329940391 1024259239 /nfs/dbraw/zinc/25/92/39/1024259239.db2.gz UKNJTHKVUPQDJU-ZFWWWQNUSA-N 0 0 326.400 3.637 10 30 EHEERN C/C(=C/c1ccc(F)cc1)C(=O)N[C@]1(C#N)CCc2ccccc2C1 ZINC000588490714 1024646942 /nfs/dbraw/zinc/64/69/42/1024646942.db2.gz HMKBNKVRVATGRV-OKULMJQMSA-N 0 0 334.394 3.796 10 30 EHEERN Cc1ccccc1NC(=O)[C@@H](C)N1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000329068945 1025587877 /nfs/dbraw/zinc/58/78/77/1025587877.db2.gz XWZGGIMFPGLVTN-UKRRQHHQSA-N 0 0 340.427 3.721 10 30 EHEERN O=C(NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@@H]1CCC(F)(F)C1 ZINC000329134633 1025619196 /nfs/dbraw/zinc/61/91/96/1025619196.db2.gz ZTEPEKBISOVTRX-UTUOFQBUSA-N 0 0 341.358 3.559 10 30 EHEERN C[C@H](NC(=O)C[C@@H]1CCCCNC1=O)c1ccc2c(c1)CC(=O)N2 ZINC000329260071 1025704893 /nfs/dbraw/zinc/70/48/93/1025704893.db2.gz YTWUHYNUDIMARV-AAEUAGOBSA-N 0 0 329.400 3.995 10 30 EHEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)NCC1(C)CCCC1)C2 ZINC000329286020 1025721990 /nfs/dbraw/zinc/72/19/90/1025721990.db2.gz PDJZABQDJDNCAB-CQSZACIVSA-N 0 0 332.492 3.579 10 30 EHEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CCC[C@@H]1c1ccncc1 ZINC000329400139 1025811886 /nfs/dbraw/zinc/81/18/86/1025811886.db2.gz YPEDATNNSDLNSN-BFYDXBDKSA-N 0 0 344.459 3.666 10 30 EHEERN N#Cc1ccccc1-c1ccc(CNC(=O)/C=C\c2ccc[nH]2)cc1 ZINC000588549356 1027785623 /nfs/dbraw/zinc/78/56/23/1027785623.db2.gz SHYXYZFRWSCUIJ-QXMHVHEDSA-N 0 0 327.387 3.883 10 30 EHEERN N#C[C@H]1CCC[C@@H]1NCC(=O)N(C1CCCCC1)C1CCCCC1 ZINC000333584372 1028172656 /nfs/dbraw/zinc/17/26/56/1028172656.db2.gz KNJSSDHYDBUYQC-APWZRJJASA-N 0 0 331.504 3.762 10 30 EHEERN N#Cc1cc(F)c(C(=O)N2CC=C(c3ccccc3F)CC2)c(F)c1 ZINC000159757230 1030348544 /nfs/dbraw/zinc/34/85/44/1030348544.db2.gz HFENXINTJDAIJM-UHFFFAOYSA-N 0 0 342.320 3.905 10 30 EHEERN Cc1ccc([C@H]2CN(Cc3cccc(OCCCC#N)c3)CCO2)o1 ZINC000093864774 1030685910 /nfs/dbraw/zinc/68/59/10/1030685910.db2.gz YNZNCOFBNMLCKS-HXUWFJFHSA-N 0 0 340.423 3.844 10 30 EHEERN C[S@](=O)c1cccc(NC(=O)[C@H]2C[C@]23CCOc2ccccc23)c1 ZINC000329646640 1031600395 /nfs/dbraw/zinc/60/03/95/1031600395.db2.gz DPZFORJCGGBBOL-MTJJIEKYSA-N 0 0 341.432 3.752 10 30 EHEERN C=C[C@@H](CC(=O)N1CCO[C@H](c2ccc(C)o2)C1)c1ccccc1 ZINC000179561189 1031787698 /nfs/dbraw/zinc/78/76/98/1031787698.db2.gz RZCGPPCKYLDFJG-LPHOPBHVSA-N 0 0 325.408 3.848 10 30 EHEERN Cc1noc2ncc(NC(=O)[C@@H]3C[C@@]34CCOc3ccccc34)cc12 ZINC000329735483 1032034622 /nfs/dbraw/zinc/03/46/22/1032034622.db2.gz SAWPVQTZVDPPKY-HNAYVOBHSA-N 0 0 335.363 3.860 10 30 EHEERN O=C(N[C@@H]1CCSc2ccc(Cl)cc21)N1CCn2ccnc2C1 ZINC000329862745 1033484890 /nfs/dbraw/zinc/48/48/90/1033484890.db2.gz YTDWEDVKOQLHNQ-CYBMUJFWSA-N 0 0 348.859 3.503 10 30 EHEERN COc1ccc([C@H](C)NC(=O)CSc2ccc(C#N)cc2)cc1F ZINC000102979368 1036782387 /nfs/dbraw/zinc/78/23/87/1036782387.db2.gz MCQYDDSDQRUXDG-LBPRGKRZSA-N 0 0 344.411 3.675 10 30 EHEERN CCCCCCC[C@@H](C)CNC(=O)N1CCC(n2cncn2)CC1 ZINC000101985801 1037575418 /nfs/dbraw/zinc/57/54/18/1037575418.db2.gz VFLHUEYEQWGPJR-MRXNPFEDSA-N 0 0 335.496 3.621 10 30 EHEERN Cc1ccc(C(=O)N2CC[C@H]3CCC[C@H]32)cc1NC(=O)NC(C)(C)C ZINC000330237320 1040170787 /nfs/dbraw/zinc/17/07/87/1040170787.db2.gz HOVZEPYFKPTVNP-RHSMWYFYSA-N 0 0 343.471 3.943 10 30 EHEERN N#Cc1ccsc1C(=O)N1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000190285306 1042553343 /nfs/dbraw/zinc/55/33/43/1042553343.db2.gz AGIGWOJUQYRMCG-GFCCVEGCSA-N 0 0 332.375 3.918 10 30 EHEERN Cc1cccc(NC(=O)N2CC[C@H]3CCC[C@H]32)c1C(=O)N1CCCC1 ZINC000330256377 1042594779 /nfs/dbraw/zinc/59/47/79/1042594779.db2.gz QBFYMAXWSJWJKU-NVXWUHKLSA-N 0 0 341.455 3.651 10 30 EHEERN N#C[C@@H]1N(C(=O)c2ccc(C(F)F)cc2)CCC[C@]12CCCCO2 ZINC000408267968 1042899815 /nfs/dbraw/zinc/89/98/15/1042899815.db2.gz HSSVNYFFTAIIDU-MAUKXSAKSA-N 0 0 334.366 3.692 10 30 EHEERN Cc1cc2cccnc2c(NC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)c1 ZINC000330322455 1042901222 /nfs/dbraw/zinc/90/12/22/1042901222.db2.gz GVYJAHWTFCVQAC-MAUKXSAKSA-N 0 0 336.395 3.643 10 30 EHEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cncc(-c2ccc3c(c2)CCO3)c1 ZINC000330327482 1042901750 /nfs/dbraw/zinc/90/17/50/1042901750.db2.gz KYNXWTIEUCCVLA-MAUKXSAKSA-N 0 0 333.391 3.680 10 30 EHEERN CC(=O)N1CC[C@@H](Nc2ccc(F)cc2C#N)c2ccc(F)cc2C1 ZINC000302197129 1128625656 /nfs/dbraw/zinc/62/56/56/1128625656.db2.gz PEYFEWLYUQDNMC-LJQANCHMSA-N 0 0 341.361 3.742 10 30 EHEERN Cc1nc([C@@H]2CCCN(c3c(C#N)nnc4ccccc43)C2)sc1C ZINC000329569706 1129611257 /nfs/dbraw/zinc/61/12/57/1129611257.db2.gz LZZMSSROEVIPMW-CQSZACIVSA-N 0 0 349.463 3.959 10 30 EHEERN C#Cc1cccc(N(Cc2ccco2)C(=O)[C@H](C)n2nc(C)cc2C)c1 ZINC000102858187 1135676519 /nfs/dbraw/zinc/67/65/19/1135676519.db2.gz PNXCSXWDOYWJPF-KRWDZBQOSA-N 0 0 347.418 3.869 10 30 EHEERN CCN(CC)S(=O)(=O)c1ccc(/N=C/c2ccc(F)cc2)cc1 ZINC000100042210 219089049 /nfs/dbraw/zinc/08/90/49/219089049.db2.gz JQFQBNHTDWIPIA-CPNJWEJPSA-N 0 0 334.416 3.607 10 30 EHEERN CC1(C)CC(=O)C2=C(C1)O[C@H](N)[C@@H](C#N)[C@@H]2c1ccc(Cl)cc1 ZINC000100485471 219100264 /nfs/dbraw/zinc/10/02/64/219100264.db2.gz NKHUOXFBSWIKHX-NUTKFTJISA-N 0 0 330.815 3.522 10 30 EHEERN CCCCCCCCCCCCCCCC(=O)NC[C@H](O)CO ZINC000066073773 215006865 /nfs/dbraw/zinc/00/68/65/215006865.db2.gz SDXILVKMZVEKBZ-SFHVURJKSA-N 0 0 329.525 3.937 10 30 EHEERN N#Cc1c(Cl)c(C#N)c(Nc2ccc(N)cc2)c(C#N)c1Cl ZINC000003607225 210065163 /nfs/dbraw/zinc/06/51/63/210065163.db2.gz FNCMMTVNCZUXKQ-UHFFFAOYSA-N 0 0 328.162 3.934 10 30 EHEERN O=[N+]([O-])c1ccc(CN=Nc2nnc(-c3ccccc3)s2)cc1 ZINC000028393427 212618009 /nfs/dbraw/zinc/61/80/09/212618009.db2.gz PXJHSIFHBCYOAF-MHWRWJLKSA-N 0 0 325.353 3.559 10 30 EHEERN N#Cc1c2c(c(NCc3ccccn3)n3c4ccccc4nc13)CCC2 ZINC000000083722 209408708 /nfs/dbraw/zinc/40/87/08/209408708.db2.gz AGRIRAVZSGQRGS-UHFFFAOYSA-N 0 0 339.402 3.855 10 30 EHEERN COc1ccc(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(OC)c1OC ZINC000027549245 212563318 /nfs/dbraw/zinc/56/33/18/212563318.db2.gz AVQJQPPSIBDBJG-VQHVLOKHSA-N 0 0 343.335 3.517 10 30 EHEERN S=C(N/N=C/c1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000215685919 241139645 /nfs/dbraw/zinc/13/96/45/241139645.db2.gz QMBXKKQAQSNTDW-NUNBGOCJSA-N 0 0 340.279 3.756 10 30 EHEERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCCOc1ncccc1C#N ZINC000095086238 218277676 /nfs/dbraw/zinc/27/76/76/218277676.db2.gz AOIZPYFVOAGZBA-MRXNPFEDSA-N 0 0 345.443 3.902 10 30 EHEERN CC(C)(C)OC(=O)N1CCC(CCCOc2ncccc2C#N)CC1 ZINC000095083708 218276058 /nfs/dbraw/zinc/27/60/58/218276058.db2.gz ZOTYPYFYXGOXMI-UHFFFAOYSA-N 0 0 345.443 3.759 10 30 EHEERN N#C[C@H]1C[C@H](F)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000107258676 257685347 /nfs/dbraw/zinc/68/53/47/257685347.db2.gz OPDXECDWSCAFHZ-UONOGXRCSA-N 0 0 336.366 3.871 10 30 EHEERN COc1ccc(-c2csc(N=NCc3cccc(OC)c3)n2)cc1 ZINC000033932146 523158775 /nfs/dbraw/zinc/15/87/75/523158775.db2.gz VZKGIXCOFWJKFZ-ODLFYWEKSA-N 0 0 339.420 3.695 10 30 EHEERN COc1ccc(C(=O)C=CNc2ccc([N+](=O)[O-])cc2C)c(OC)c1 ZINC000104005393 523539096 /nfs/dbraw/zinc/53/90/96/523539096.db2.gz NNCMFPVWGUDKSC-CMDGGOBGSA-N 0 0 342.351 3.729 10 30 EHEERN Clc1ccccc1CSc1nnc(NN=Cc2ccco2)[nH]1 ZINC000006336722 526989132 /nfs/dbraw/zinc/98/91/32/526989132.db2.gz HAOBWOBEIQAMNK-LZYBPNLTSA-N 0 0 333.804 3.789 10 30 EHEERN Cc1ccc(NC(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3)c2)nc1 ZINC000328605020 564120776 /nfs/dbraw/zinc/12/07/76/564120776.db2.gz LYYLWSQDHHWGAR-PKOBYXMFSA-N 0 0 348.406 3.942 10 30 EHEERN C=C(COCC)C(=O)CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960642 564177150 /nfs/dbraw/zinc/17/71/50/564177150.db2.gz VXTRKFHACFYVQL-UHFFFAOYSA-N 0 0 347.455 3.976 10 30 EHEERN O=C(Nc1cncnc1)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000328632688 1016252979 /nfs/dbraw/zinc/25/29/79/1016252979.db2.gz ANEPEFSORGFYPU-GDBMZVCRSA-N 0 0 344.212 3.731 10 30 EHEERN Cn1c(=O)sc2cc(/C=C\C(=O)c3c[nH]c4ccccc34)ccc21 ZINC000588599413 1032450605 /nfs/dbraw/zinc/45/06/05/1032450605.db2.gz VHGZIVGCFPXZNB-CLFYSBASSA-N 0 0 334.400 3.977 10 30 EHEERN O=C(N[C@@H](CC1CCCC1)c1ccccc1)N[C@@H]1CCCNC1=O ZINC000328729002 1019328904 /nfs/dbraw/zinc/32/89/04/1019328904.db2.gz VVIFTDQGDIVWPS-SJORKVTESA-N 0 0 329.444 3.931 10 30 EHEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000333523532 1019859379 /nfs/dbraw/zinc/85/93/79/1019859379.db2.gz OKBZHWLUPYIXIK-CMPLNLGQSA-N 0 0 349.232 3.535 10 30 EHEERN O=C(NCC1CC(c2ccccc2)C1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000328760770 1020305482 /nfs/dbraw/zinc/30/54/82/1020305482.db2.gz XSUOGPMOFWLHBY-LDVNLBKXSA-N 0 0 342.483 3.721 10 30 EHEERN CCCCCCCCC(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000164682129 1021834385 /nfs/dbraw/zinc/83/43/85/1021834385.db2.gz SFLGPFWYIHMLCS-FUHWJXTLSA-N 0 0 334.504 3.739 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@H](c1ccccc1)C(C)C)CCC2 ZINC000328647515 1022454196 /nfs/dbraw/zinc/45/41/96/1022454196.db2.gz HNLJJVVCJXNBHH-ROUUACIJSA-N 0 0 340.471 3.970 10 30 EHEERN C[C@@H]1C[C@H](C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)CC(C)(C)C1 ZINC000328684081 1022466393 /nfs/dbraw/zinc/46/63/93/1022466393.db2.gz DWAWXBGMPKMVSY-LTIDMASMSA-N 0 0 337.504 3.973 10 30 EHEERN CC(C)[C@H](NC(=O)C[C@H]1CCCCNC1=O)c1nc(C2CC2)no1 ZINC000328802210 1022507247 /nfs/dbraw/zinc/50/72/47/1022507247.db2.gz ZTVHFUOEGAWROH-OCCSQVGLSA-N 0 0 334.420 3.747 10 30 EHEERN C[C@H](c1ccc(F)cc1)N(C)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000328859195 1022516680 /nfs/dbraw/zinc/51/66/80/1022516680.db2.gz DTQJXXBZQFFUFI-RGYTYGDFSA-N 0 0 333.407 3.630 10 30 EHEERN C[C@H]1Oc2ccc(NC(=O)C[C@@H]3CCCCNC3=O)cc2NC1=O ZINC000328876022 1022524966 /nfs/dbraw/zinc/52/49/66/1022524966.db2.gz SIPIWHTVNRZRQI-MNOVXSKESA-N 0 0 331.372 3.790 10 30 EHEERN C[C@@H]1CC(CNC(=O)CCc2ccc3c(c2)OCCO3)C[C@@H](C)O1 ZINC000328954561 1022539262 /nfs/dbraw/zinc/53/92/62/1022539262.db2.gz YJTQAGXEGJMKGE-ZIAGYGMSSA-N 0 0 333.428 3.551 10 30 EHEERN Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3C[C@H]3C3CCCCC3)C2)nn1 ZINC000329646842 1023974800 /nfs/dbraw/zinc/97/48/00/1023974800.db2.gz DRYPBZJWDNIADB-OKZBNKHCSA-N 0 0 342.487 3.927 10 30 EHEERN C[C@@]1(NC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)CCO[C@H]1C1CC1 ZINC000329761996 1024182586 /nfs/dbraw/zinc/18/25/86/1024182586.db2.gz SDRACCJAKOGRSW-RIFZZMRRSA-N 0 0 344.455 3.750 10 30 EHEERN O=C(Nc1cccc(-c2ncc3n2CCCC3)c1)N1C[C@@H]2CCC[C@@H]21 ZINC000329807290 1024202123 /nfs/dbraw/zinc/20/21/23/1024202123.db2.gz LPUQCDGOYJOMIO-YJBOKZPZSA-N 0 0 336.439 3.916 10 30 EHEERN Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]32)c(-c2nc(C3CC3)no2)c1 ZINC000329916777 1024249754 /nfs/dbraw/zinc/24/97/54/1024249754.db2.gz DWHRVJFEIJHXBI-BBRMVZONSA-N 0 0 338.411 3.952 10 30 EHEERN O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)N1C[C@H]2CCC[C@@H]21 ZINC000329926858 1024251555 /nfs/dbraw/zinc/25/15/55/1024251555.db2.gz LBPRBMHRFOGGPY-ABAIWWIYSA-N 0 0 342.374 3.783 10 30 EHEERN CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCc2ccccc21 ZINC000329936678 1024255428 /nfs/dbraw/zinc/25/54/28/1024255428.db2.gz DGKKCZFTVXXYCG-KVSKMBFKSA-N 0 0 339.439 3.667 10 30 EHEERN O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)N1C[C@H]2CCC[C@H]21 ZINC000329945538 1024261033 /nfs/dbraw/zinc/26/10/33/1024261033.db2.gz XGQPEJHPUNULQM-LDYMZIIASA-N 0 0 325.290 3.876 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCc2sccc21 ZINC000330177592 1024343030 /nfs/dbraw/zinc/34/30/30/1024343030.db2.gz KWPMEHPIMPFVFN-DVOMOZLQSA-N 0 0 331.441 3.593 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)NC[C@@H]2CCO[C@@H]2C(C)C)cs1 ZINC000330199009 1024350455 /nfs/dbraw/zinc/35/04/55/1024350455.db2.gz UWRDRFGOSZAASY-CWRNSKLLSA-N 0 0 337.489 3.564 10 30 EHEERN C=CCc1cc(/C=C/c2ncc(C(=O)OC)s2)cc(OC)c1O ZINC000102598895 1025459927 /nfs/dbraw/zinc/45/99/27/1025459927.db2.gz HBRHECIQXFWZOP-VOTSOKGWSA-N 0 0 331.393 3.543 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCc2sccc21 ZINC000329202526 1025663910 /nfs/dbraw/zinc/66/39/10/1025663910.db2.gz WBBKYVDPUKDOOI-DXCKQFNASA-N 0 0 345.468 3.636 10 30 EHEERN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)NCC1(C2CC2)CCC1 ZINC000329285410 1025721859 /nfs/dbraw/zinc/72/18/59/1025721859.db2.gz OHCSRBLJKDIMNS-AOIWGVFYSA-N 0 0 334.504 3.886 10 30 EHEERN CC[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccc(N(C)C)cc1 ZINC000186014648 1026099553 /nfs/dbraw/zinc/09/95/53/1026099553.db2.gz JRZUHWFXZFFEER-LJQANCHMSA-N 0 0 346.438 3.768 10 30 EHEERN CC[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1cc(F)ccc1F ZINC000186023707 1026125187 /nfs/dbraw/zinc/12/51/87/1026125187.db2.gz HEOPCYSRBMZSNG-KRWDZBQOSA-N 0 0 339.349 3.980 10 30 EHEERN N#C[C@H]1CCC[C@H]1NC(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000333553196 1027114750 /nfs/dbraw/zinc/11/47/50/1027114750.db2.gz FYFGBKKWFCDEBS-IUODEOHRSA-N 0 0 337.345 3.506 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000333571558 1027710529 /nfs/dbraw/zinc/71/05/29/1027710529.db2.gz IRPGUWWOWMXDAJ-OHFALNGGSA-N 0 0 331.847 3.968 10 30 EHEERN Cc1nc([C@@H]2CCCN(C(=O)N[C@@H]3CCC[C@H]3C#N)C2)sc1C ZINC000329553311 1031101510 /nfs/dbraw/zinc/10/15/10/1031101510.db2.gz AYNCYTJQIBGLJK-RRFJBIMHSA-N 0 0 332.473 3.546 10 30 EHEERN C[C@H](C#N)Oc1ccc(CNCc2ncc(-c3ccccc3)cn2)cc1 ZINC000185868459 1035552482 /nfs/dbraw/zinc/55/24/82/1035552482.db2.gz RYGAJAODNQOLSF-MRXNPFEDSA-N 0 0 344.418 3.724 10 30 EHEERN C=CCOc1cccc(CN2CCn3c(C(C)C)nnc3[C@H]2C)c1 ZINC000188453849 1035940354 /nfs/dbraw/zinc/94/03/54/1035940354.db2.gz DDWAJSIFZCWHMT-OAHLLOKOSA-N 0 0 326.444 3.543 10 30 EHEERN Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCOC3(CCOCC3)C2)c(C)c1 ZINC000330273229 1042772728 /nfs/dbraw/zinc/77/27/28/1042772728.db2.gz YWOMPGFVYSEFJG-DLBZAZTESA-N 0 0 346.471 3.596 10 30 EHEERN Cc1cc(Br)c(F)cc1NC(=O)N[C@H]1CCC[C@H]1C#N ZINC000408297090 1042989031 /nfs/dbraw/zinc/98/90/31/1042989031.db2.gz FRPYNYCHLAJQDN-CABZTGNLSA-N 0 0 340.196 3.710 10 30 EHEERN N#Cc1ccc2nc(N3CCC(c4noc(C5CC5)n4)CC3)ccc2c1 ZINC000302168730 1128623625 /nfs/dbraw/zinc/62/36/25/1128623625.db2.gz KXBKFZDDRYVTFP-UHFFFAOYSA-N 0 0 345.406 3.751 10 30 EHEERN C=CCc1ccccc1OC(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000103637343 1137425705 /nfs/dbraw/zinc/42/57/05/1137425705.db2.gz JGRDTJIQIWRWJM-MRXNPFEDSA-N 0 0 329.440 3.605 10 30 EHEERN N#Cc1cn(CC(=O)NCCc2ccc(Cl)cc2)c2ccccc12 ZINC000051319100 214089321 /nfs/dbraw/zinc/08/93/21/214089321.db2.gz RTVKHGXTLUEDAO-UHFFFAOYSA-N 0 0 337.810 3.525 10 30 EHEERN CCCCNC(=S)N(C)N=Cc1cc(Br)ccc1F ZINC000033043994 212892606 /nfs/dbraw/zinc/89/26/06/212892606.db2.gz ZTTHWJKITHWHQD-RQZCQDPDSA-N 0 0 346.269 3.940 10 30 EHEERN Cc1ccc(/N=C2/SC[C@H](C)N2C(=O)C2CCOCC2)c(C)c1 ZINC000023271232 212366716 /nfs/dbraw/zinc/36/67/16/212366716.db2.gz DKULIHMOJFWAAD-HLAUDOPJSA-N 0 0 332.469 3.681 10 30 EHEERN CC(=O)O[C@]12O[C@H]1C[C@@H]1[C@H]3CC[C@H]4C[C@H]5O[C@H]5C[C@]4(C)[C@@H]3CC[C@@]12C ZINC000256379318 244066486 /nfs/dbraw/zinc/06/64/86/244066486.db2.gz AEFVYXKODUCZPV-UZCJZQEYSA-N 0 0 346.467 3.675 10 30 EHEERN N/C(=N\O)c1ccc(Oc2ccc(Br)cc2Cl)cc1 ZINC000020373010 212123926 /nfs/dbraw/zinc/12/39/26/212123926.db2.gz CDGVYWMQYGVNPD-UHFFFAOYSA-N 0 0 341.592 3.989 10 30 EHEERN N#Cc1ccccc1NC(=O)CCOc1ccc(Br)cc1 ZINC000019847263 212074896 /nfs/dbraw/zinc/07/48/96/212074896.db2.gz USSSLSVBUBEODZ-UHFFFAOYSA-N 0 0 345.196 3.728 10 30 EHEERN N#CCCN(C(=O)Cc1ccc(Br)cc1)c1ccccc1 ZINC000019488959 212032015 /nfs/dbraw/zinc/03/20/15/212032015.db2.gz LIBMGTXKKSEAIC-UHFFFAOYSA-N 0 0 343.224 3.938 10 30 EHEERN CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C ZINC000118913166 221202874 /nfs/dbraw/zinc/20/28/74/221202874.db2.gz GZENKSODFLBBHQ-VFDAWVHUSA-N 0 0 344.495 3.940 10 30 EHEERN COc1cc(C)c(C(C)N=Nc2nc(C)c(C(C)=O)s2)cc1OC ZINC000033399108 522182748 /nfs/dbraw/zinc/18/27/48/522182748.db2.gz BRMXLSAGNHMFDO-GRSHGNNSSA-N 0 0 347.440 3.816 10 30 EHEERN N#CCCN(CCO)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000005420674 526457037 /nfs/dbraw/zinc/45/70/37/526457037.db2.gz OGHAROMWUKGSDP-FMQUCBEESA-N 0 0 339.355 3.723 10 30 EHEERN Cn1c2c(nc1[C@H]1CCCN1c1ncc(C#N)cc1Cl)CCCC2 ZINC000275687073 564009718 /nfs/dbraw/zinc/00/97/18/564009718.db2.gz QNUKYBBXGNLPCZ-MRXNPFEDSA-N 0 0 341.846 3.560 10 30 EHEERN Cc1nc[nH]c1CNC(=O)[C@@H]1C[C@]12CCOc1ccc(Cl)cc12 ZINC000328606600 564136858 /nfs/dbraw/zinc/13/68/58/564136858.db2.gz SCHQRGZJUAIHCN-GUYCJALGSA-N 0 0 331.803 3.568 10 30 EHEERN C=C(COCCC)C(=O)CN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000685960514 564177142 /nfs/dbraw/zinc/17/71/42/564177142.db2.gz OILDKNDYZXIYBX-UHFFFAOYSA-N 0 0 347.455 3.976 10 30 EHEERN O=C1/C(=C/c2ccc(O)c(O)c2)CCC/C1=C\c1ccc(O)c(O)c1 ZINC000005843952 581101607 /nfs/dbraw/zinc/10/16/07/581101607.db2.gz JZODVJPLOFJTJZ-VOMDNODZSA-N 0 0 338.359 3.729 10 30 EHEERN Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc(Cl)c1Br ZINC000408005924 1016860841 /nfs/dbraw/zinc/86/08/41/1016860841.db2.gz UAPOIPTTXMPENN-SKDRFNHKSA-N 0 0 341.636 3.833 10 30 EHEERN Cc1ccccc1[C@H]1C[C@H](NC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)C1 ZINC000329802002 1032450655 /nfs/dbraw/zinc/45/06/55/1032450655.db2.gz KBZHWYZBAPECCY-NEYJZJCJSA-N 0 0 342.483 3.782 10 30 EHEERN CC(C)COc1ccc([C@@H](C)NC(=O)N2CCC(C#N)CC2)cc1 ZINC000155459856 1017735217 /nfs/dbraw/zinc/73/52/17/1017735217.db2.gz JKNFYJBFDSCEBF-OAHLLOKOSA-N 0 0 329.444 3.728 10 30 EHEERN COC(=O)[C@H](c1cccc(C#N)c1)N1CC=C(c2cccs2)CC1 ZINC000083198761 1018517554 /nfs/dbraw/zinc/51/75/54/1018517554.db2.gz QSLVEXMCNUUSIE-SFHVURJKSA-N 0 0 338.432 3.623 10 30 EHEERN C[C@@H]1CCCC[C@H]1OCC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328640705 1022451279 /nfs/dbraw/zinc/45/12/79/1022451279.db2.gz CWDTZSRMKMIDRD-NOCIGQNYSA-N 0 0 332.444 3.854 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H](C)c1cccc(Cl)c1)CCC2 ZINC000328646655 1022454159 /nfs/dbraw/zinc/45/41/59/1022454159.db2.gz GYZKPBATOYFUSC-ZFWWWQNUSA-N 0 0 346.862 3.987 10 30 EHEERN Cc1nc(CC2CC2)oc1C(=O)N[C@H]1CCCO[C@@H]1c1ccncc1 ZINC000328644131 1022454250 /nfs/dbraw/zinc/45/42/50/1022454250.db2.gz FTICFXCZOYYRDT-MAUKXSAKSA-N 0 0 341.411 3.555 10 30 EHEERN CCS[C@@H]1CCCCN(C(=O)N[C@H]2CCC(=O)NC23CCC3)C1 ZINC000328677893 1022463946 /nfs/dbraw/zinc/46/39/46/1022463946.db2.gz AVGPSKLFTKVKOM-KGLIPLIRSA-N 0 0 339.505 3.550 10 30 EHEERN Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@H](n3cccn3)C2)c(C)c1 ZINC000328688195 1022467711 /nfs/dbraw/zinc/46/77/11/1022467711.db2.gz HNMBFZZIXRADQT-SJORKVTESA-N 0 0 326.444 3.814 10 30 EHEERN C[C@H](CC(=O)N[C@@H]1CCC(=O)NC12CCC2)NC(=O)C1CCCC1 ZINC000328687796 1022468115 /nfs/dbraw/zinc/46/81/15/1022468115.db2.gz HICZIMBSTDHYFD-TZMCWYRMSA-N 0 0 335.448 3.910 10 30 EHEERN Cn1cc2c(n1)CCC[C@@H]2NC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000328764284 1022484493 /nfs/dbraw/zinc/48/44/93/1022484493.db2.gz ZYUCKQXDMNTZJO-IRXDYDNUSA-N 0 0 342.418 3.518 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)[C@H]1CC(=O)Nc3ccccc31)CCC2 ZINC000328832306 1022507938 /nfs/dbraw/zinc/50/79/38/1022507938.db2.gz RNDMHHQRZHKUOG-ZFWWWQNUSA-N 0 0 338.411 3.801 10 30 EHEERN C[C@H](c1cc2ccccc2o1)N(C)C(=O)N[C@@H]1CCO[C@@H]1C1CC1 ZINC000328837923 1022511412 /nfs/dbraw/zinc/51/14/12/1022511412.db2.gz NLTUSAQAFLODFX-CDHAZOANSA-N 0 0 328.412 3.907 10 30 EHEERN C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)N(CCC#N)Cc1ccco1 ZINC000588444997 1022529945 /nfs/dbraw/zinc/52/99/45/1022529945.db2.gz YCIQCBQHUVFCBG-OWBHPGMISA-N 0 0 339.351 3.534 10 30 EHEERN CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[C@H](SC)C1 ZINC000328919261 1022545721 /nfs/dbraw/zinc/54/57/21/1022545721.db2.gz AQFCCIMOUGUFAQ-LXTVHRRPSA-N 0 0 337.489 3.611 10 30 EHEERN C[C@@H](NC(=O)Nc1scnc1C1CC1)c1ccc2c(c1)OCCO2 ZINC000328946959 1022770412 /nfs/dbraw/zinc/77/04/12/1022770412.db2.gz VOQZONLQHCFFOT-SNVBAGLBSA-N 0 0 345.424 3.879 10 30 EHEERN COc1cccc2c1OC/C(=C/c1cncc(Br)c1)C2=O ZINC000588476884 1023790964 /nfs/dbraw/zinc/79/09/64/1023790964.db2.gz PCHGESMJPRGOLM-WZUFQYTHSA-N 0 0 346.180 3.511 10 30 EHEERN Cc1csc([C@H]2CCCN(C(=O)CNC(=O)C3CCCCC3)C2)n1 ZINC000329684997 1024065051 /nfs/dbraw/zinc/06/50/51/1024065051.db2.gz YJEBDBRHARZFPU-HNNXBMFYSA-N 0 0 349.500 3.694 10 30 EHEERN Cc1cc(Cl)cnc1NC(=O)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000329768210 1024185400 /nfs/dbraw/zinc/18/54/00/1024185400.db2.gz GHKHUUHYMXOABB-KBPBESRZSA-N 0 0 335.835 3.622 10 30 EHEERN O=C(Nc1ccc(F)cc1-c1nc(C2CC2)no1)N1C[C@H]2CCC[C@H]21 ZINC000329926859 1024251671 /nfs/dbraw/zinc/25/16/71/1024251671.db2.gz LBPRBMHRFOGGPY-IAQYHMDHSA-N 0 0 342.374 3.783 10 30 EHEERN COc1cccc2c1CC[C@@H]2NC(=O)[C@H]1CCO[C@@H]1c1cccnc1 ZINC000330040694 1024301488 /nfs/dbraw/zinc/30/14/88/1024301488.db2.gz CPMCVPQRMKUUGL-JENIJYKNSA-N 0 0 338.407 3.812 10 30 EHEERN CC[C@H](NC(=O)[C@H]1CCO[C@@H]1c1cccnc1)c1c(C)noc1C ZINC000330072323 1024309240 /nfs/dbraw/zinc/30/92/40/1024309240.db2.gz YYMMDTZUKZVOTE-YQQAZPJKSA-N 0 0 329.400 3.872 10 30 EHEERN Cn1nccc1N1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]23)C1 ZINC000329080962 1025592162 /nfs/dbraw/zinc/59/21/62/1025592162.db2.gz CXGNHJRRJRQHBE-XLAORIBOSA-N 0 0 344.503 3.952 10 30 EHEERN C[C@H](NC(=O)[C@H]1CCc2ccccc21)c1ncc(Br)cn1 ZINC000329094396 1025600444 /nfs/dbraw/zinc/60/04/44/1025600444.db2.gz AYVSYFHGIHJZSB-HZMBPMFUSA-N 0 0 346.228 3.987 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCCc3cc(F)ccc32)no1 ZINC000329130898 1025619083 /nfs/dbraw/zinc/61/90/83/1025619083.db2.gz OPQCZLPQIVRPED-CVEARBPZSA-N 0 0 344.390 3.646 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000329163857 1025637443 /nfs/dbraw/zinc/63/74/43/1025637443.db2.gz GLONIPVKZMFUDQ-YVUVUWROSA-N 0 0 343.471 3.671 10 30 EHEERN CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000329179211 1025647136 /nfs/dbraw/zinc/64/71/36/1025647136.db2.gz MPFMMJUNSWOQIG-OAGGEKHMSA-N 0 0 334.464 3.515 10 30 EHEERN Cc1cc(C(C)C)nc(N2CCN([C@@H](C)c3ccc(C#N)cc3)CC2)n1 ZINC000186870034 1025648846 /nfs/dbraw/zinc/64/88/46/1025648846.db2.gz RXDVOIJAMNBALV-KRWDZBQOSA-N 0 0 349.482 3.663 10 30 EHEERN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)NC1CCCCCC1)C2 ZINC000329246258 1025692620 /nfs/dbraw/zinc/69/26/20/1025692620.db2.gz VQDYIIQASSIHGD-HNNXBMFYSA-N 0 0 332.492 3.722 10 30 EHEERN CC(=NOCc1ccc(C)nc1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000588510068 1025729274 /nfs/dbraw/zinc/72/92/74/1025729274.db2.gz ASCXFMJNEQDQDT-UHFFFAOYSA-N 0 0 337.423 3.988 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1)CCC2 ZINC000329326524 1025754725 /nfs/dbraw/zinc/75/47/25/1025754725.db2.gz WSECKOAYRQOVMC-IXDOHACOSA-N 0 0 333.476 3.867 10 30 EHEERN Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329378249 1025794106 /nfs/dbraw/zinc/79/41/06/1025794106.db2.gz OXTXDSBPKALPEX-BPLDGKMQSA-N 0 0 345.443 3.566 10 30 EHEERN O=C(NC1C2CC3CC(C2)CC1C3)c1cnc(-c2ncccn2)s1 ZINC000329378269 1025794856 /nfs/dbraw/zinc/79/48/56/1025794856.db2.gz MLNOHKTYEALOLX-UHFFFAOYSA-N 0 0 340.452 3.729 10 30 EHEERN Cc1noc([C@@H]2CCCCN2C(=O)NC2C3CC4CC(C3)CC2C4)n1 ZINC000329420011 1025824415 /nfs/dbraw/zinc/82/44/15/1025824415.db2.gz FCEIHNZLBXUNQD-IKXAHOJESA-N 0 0 344.459 3.644 10 30 EHEERN COc1ccc([C@H](Nc2cnn(-c3ncccc3C#N)c2)C2CC2)cc1 ZINC000186007286 1025928371 /nfs/dbraw/zinc/92/83/71/1025928371.db2.gz HJVDSPHGYMANHC-LJQANCHMSA-N 0 0 345.406 3.711 10 30 EHEERN CN(CC1(O)CCC1)C(=O)N[C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000329500879 1025934086 /nfs/dbraw/zinc/93/40/86/1025934086.db2.gz HMBQNWSNERAJPF-INIZCTEOSA-N 0 0 344.455 3.584 10 30 EHEERN Cc1ccc([C@H](C)Nc2cnn(-c3ncccc3C#N)c2)cc1[N+](=O)[O-] ZINC000186011146 1025944269 /nfs/dbraw/zinc/94/42/69/1025944269.db2.gz UPMRQIXAROGBGY-ZDUSSCGKSA-N 0 0 348.366 3.529 10 30 EHEERN C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)c1ccccc1OCC#N ZINC000247256739 1028765829 /nfs/dbraw/zinc/76/58/29/1028765829.db2.gz DVFGWYGFPJZGME-MDZRGWNJSA-N 0 0 334.419 3.996 10 30 EHEERN O=C1c2cc(Cl)cc(Br)c2O/C1=C/c1cocn1 ZINC000588579308 1030147513 /nfs/dbraw/zinc/14/75/13/1030147513.db2.gz HWYXBXJKJXUKTG-XCVCLJGOSA-N 0 0 326.533 3.707 10 30 EHEERN C=CCCC[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000179791751 1031809935 /nfs/dbraw/zinc/80/99/35/1031809935.db2.gz JQFRGNSYOKCTIM-HNNXBMFYSA-N 0 0 346.446 3.539 10 30 EHEERN COc1ccc(C(=O)/C=C\c2ccc3c(c2)sc(=O)n3C)c(F)c1 ZINC000588590251 1031985972 /nfs/dbraw/zinc/98/59/72/1031985972.db2.gz XYNOLCJZXJJOMI-YWEYNIOJSA-N 0 0 343.379 3.644 10 30 EHEERN N#CCSc1cccc(C(=O)N2CCO[C@@H](c3ccsc3)C2)c1 ZINC000120549290 1033923165 /nfs/dbraw/zinc/92/31/65/1033923165.db2.gz FHFFOYJTECZKCT-MRXNPFEDSA-N 0 0 344.461 3.577 10 30 EHEERN C=CCc1cc([N+](=O)[O-])ccc1OCc1nc(-c2ccoc2)no1 ZINC000105572618 1037213401 /nfs/dbraw/zinc/21/34/01/1037213401.db2.gz ZBZSDRGYARJFDS-UHFFFAOYSA-N 0 0 327.296 3.545 10 30 EHEERN Cc1nc([C@H](C)NC(=O)N[C@@H]2CCOC3(CCCCC3)C2)cs1 ZINC000330232842 1039622576 /nfs/dbraw/zinc/62/25/76/1039622576.db2.gz RWJYVUVMFJDEGG-GXTWGEPZSA-N 0 0 337.489 3.898 10 30 EHEERN Cc1nc(-c2ccccc2)sc1NC(=O)N[C@H]1CCC[C@H]1C#N ZINC000332888934 1040163133 /nfs/dbraw/zinc/16/31/33/1040163133.db2.gz IBSRQCRZSOCLLZ-KBPBESRZSA-N 0 0 326.425 3.932 10 30 EHEERN CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000119470323 1042373464 /nfs/dbraw/zinc/37/34/64/1042373464.db2.gz MPGXVNKVXITNKX-FUHWJXTLSA-N 0 0 326.440 3.897 10 30 EHEERN N#C[C@@H]1N(C(=O)c2ccc(C(F)F)cc2)CCC[C@@]12CCCCO2 ZINC000408267970 1042899528 /nfs/dbraw/zinc/89/95/28/1042899528.db2.gz HSSVNYFFTAIIDU-YJBOKZPZSA-N 0 0 334.366 3.692 10 30 EHEERN CC(C)[C@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000330338332 1042926755 /nfs/dbraw/zinc/92/67/55/1042926755.db2.gz VGLUTXYEXCJAIY-AAVRWANBSA-N 0 0 336.398 3.672 10 30 EHEERN Cc1c(Br)ccc(NC(=O)N[C@@H]2CCC[C@H]2C#N)c1F ZINC000408392326 1044747818 /nfs/dbraw/zinc/74/78/18/1044747818.db2.gz HPZYWDYNQRHING-GXSJLCMTSA-N 0 0 340.196 3.710 10 30 EHEERN C#Cc1cccc(N(CC)C(=O)Cc2c(C)nn(CC(C)C)c2C)c1 ZINC000103028212 1132608347 /nfs/dbraw/zinc/60/83/47/1132608347.db2.gz URXCQLBVXWJJBX-UHFFFAOYSA-N 0 0 337.467 3.733 10 30 EHEERN COc1cccc2c1OC/C(=C\c1ccc(O[C@@H](C)C#N)cc1)C2=O ZINC000103250619 1132775981 /nfs/dbraw/zinc/77/59/81/1132775981.db2.gz BSWNWZNKJKFNPZ-LERPTODRSA-N 0 0 335.359 3.645 10 30 EHEERN C[C@@H](Oc1ccccc1C#N)C(=O)Oc1ccccc1OC(F)F ZINC000105982851 1136014962 /nfs/dbraw/zinc/01/49/62/1136014962.db2.gz NOZUMKYEPGYDIN-LLVKDONJSA-N 0 0 333.290 3.533 10 30 EHEERN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)N(CCC#N)CC(C)(C)C)cc1 ZINC000104627314 1137878921 /nfs/dbraw/zinc/87/89/21/1137878921.db2.gz UDGSEFVDMDAIHB-WMLDXEAASA-N 0 0 341.455 3.683 10 30 EHEERN COc1cc(C#N)ccc1OCCN1CCC[C@H]1c1csc(C)n1 ZINC000189748963 1140361985 /nfs/dbraw/zinc/36/19/85/1140361985.db2.gz KDUPRUHIPUYLJA-INIZCTEOSA-N 0 0 343.452 3.548 10 30 EHEERN Ic1ccccc1NCC#Cc1ccccc1 ZINC000051814094 214105653 /nfs/dbraw/zinc/10/56/53/214105653.db2.gz VJABHOCWTLLSPK-UHFFFAOYSA-N 0 0 333.172 3.755 10 30 EHEERN CCOC(=O)c1sc(Br)nc1-c1ccc(C#N)cc1 ZINC000098177728 219086614 /nfs/dbraw/zinc/08/66/14/219086614.db2.gz XHTCDNQRXDZAAH-UHFFFAOYSA-N 0 0 337.198 3.621 10 30 EHEERN CNC1=C(c2cc(Cl)ccn2)C(=O)[C@@H](c2cccc(Cl)c2)O1 ZINC000039127576 213231232 /nfs/dbraw/zinc/23/12/32/213231232.db2.gz QJUGYJMLBOZPJR-OAHLLOKOSA-N 0 0 335.190 3.617 10 30 EHEERN CNC1=C(c2cc(Cl)ccn2)C(=O)[C@@H](c2ccccc2Cl)O1 ZINC000039127586 213231498 /nfs/dbraw/zinc/23/14/98/213231498.db2.gz NNVJNQWMSUBEAB-OAHLLOKOSA-N 0 0 335.190 3.617 10 30 EHEERN O[C@@H](c1ccccc1)C(O)(C#Cc1ccccc1)C#Cc1ccccc1 ZINC000001020656 209701189 /nfs/dbraw/zinc/70/11/89/209701189.db2.gz UQFXNHIBZGGMHI-QHCPKHFHSA-N 0 0 338.406 3.555 10 30 EHEERN C/C(=N/NS(=O)(=O)c1ccccc1)c1cc(Cl)ccc1Cl ZINC000038203338 213205169 /nfs/dbraw/zinc/20/51/69/213205169.db2.gz VPKPNJMCGYITAH-YVLHZVERSA-N 0 0 343.235 3.696 10 30 EHEERN S=C(N/N=C/c1ccc(Cl)c(Cl)c1)N[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000000137920 209445019 /nfs/dbraw/zinc/44/50/19/209445019.db2.gz NYOUTNALYUMMJD-NUNBGOCJSA-N 0 0 342.295 3.980 10 30 EHEERN Cc1ccc(-c2ccc(C(=O)Nc3ccc(F)cc3C#N)c(=O)[nH]2)cc1 ZINC000072451021 216238361 /nfs/dbraw/zinc/23/83/61/216238361.db2.gz HEJKSNVLTVUYFG-UHFFFAOYSA-N 0 0 347.349 3.613 10 30 EHEERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CCCOc1cc(C#N)ccn1 ZINC000095086230 218277489 /nfs/dbraw/zinc/27/74/89/218277489.db2.gz NNNQRTBGGQPCGG-MRXNPFEDSA-N 0 0 345.443 3.902 10 30 EHEERN O=C(/C=C/C(=O)c1ccc(Br)cc1)Nc1ccccc1 ZINC000095588253 218441356 /nfs/dbraw/zinc/44/13/56/218441356.db2.gz SUNWHCVQVFJPEA-ZHACJKMWSA-N 0 0 330.181 3.827 10 30 EHEERN CNC1=C(c2cc(Cl)ccn2)C(=O)[C@H](c2cccc(Cl)c2)O1 ZINC000095924395 218450235 /nfs/dbraw/zinc/45/02/35/218450235.db2.gz QJUGYJMLBOZPJR-HNNXBMFYSA-N 0 0 335.190 3.617 10 30 EHEERN O=c1oc2ccccc2cc1-c1csc(N=NCc2ccco2)n1 ZINC000004474624 527499014 /nfs/dbraw/zinc/49/90/14/527499014.db2.gz VLTUMZDAPJAKRL-NVMNQCDNSA-N 0 0 337.360 3.956 10 30 EHEERN CC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C ZINC000005159418 563995566 /nfs/dbraw/zinc/99/55/66/563995566.db2.gz ZTDAXWJYRPVTPO-GGLFOPPFSA-N 0 0 328.452 3.614 10 30 biogenic EHEERN C=CCn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)n[nH]c1=S ZINC000032666730 564079343 /nfs/dbraw/zinc/07/93/43/564079343.db2.gz ZZZMGXDYVDGBPZ-UHFFFAOYSA-N 0 0 343.239 3.615 10 30 EHEERN O=C(NCCc1ccccn1)[C@@H]1C[C@]12CCOc1ccc(Cl)cc12 ZINC000328607151 564136868 /nfs/dbraw/zinc/13/68/68/564136868.db2.gz UVWRJOXCCXIVKJ-LPHOPBHVSA-N 0 0 342.826 3.974 10 30 EHEERN CCCCNC(=O)Cc1noc([C@H]2OCC[C@H]2c2ccccc2)n1 ZINC000328629186 564137067 /nfs/dbraw/zinc/13/70/67/564137067.db2.gz OOZBMBLUVDHUCW-YOEHRIQHSA-N 0 0 329.400 3.614 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 ZINC000328702286 1018537445 /nfs/dbraw/zinc/53/74/45/1018537445.db2.gz NTCFJXNZMJZCRQ-RWMBFGLXSA-N 0 0 329.366 3.647 10 30 EHEERN COc1cc(/C=C\C(=O)c2cccc(F)c2F)cc2c1OCCO2 ZINC000588386940 1019880836 /nfs/dbraw/zinc/88/08/36/1019880836.db2.gz SHABCGOYTCKNRB-WAYWQWQTSA-N 0 0 332.302 3.641 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000334108989 1022387775 /nfs/dbraw/zinc/38/77/75/1022387775.db2.gz AGINKAQVLOCCBC-OTRWWLKZSA-N 0 0 331.847 3.968 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N[C@@H](c1ccccc1)C1CC1)CCC2 ZINC000328650341 1022453427 /nfs/dbraw/zinc/45/34/27/1022453427.db2.gz JDCUDOFOUBYGSV-ROUUACIJSA-N 0 0 338.455 3.724 10 30 EHEERN CC[C@H](NC(=O)NC[C@@H]1CCCn2cc(C)nc21)c1cccs1 ZINC000328658342 1022456557 /nfs/dbraw/zinc/45/65/57/1022456557.db2.gz QWNCFKVAMSKNNB-KBPBESRZSA-N 0 0 332.473 3.785 10 30 EHEERN C[C@H](NC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1)C1CCCCC1 ZINC000328720948 1022461703 /nfs/dbraw/zinc/46/17/03/1022461703.db2.gz QYABXSKXUBMISK-JCGIZDLHSA-N 0 0 331.460 3.774 10 30 EHEERN Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](n3cccn3)C2)c(C)c1 ZINC000328688193 1022468534 /nfs/dbraw/zinc/46/85/34/1022468534.db2.gz HNMBFZZIXRADQT-IAGOWNOFSA-N 0 0 326.444 3.814 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@@H]1c1ccccc1)CCC2 ZINC000328729621 1022487653 /nfs/dbraw/zinc/48/76/53/1022487653.db2.gz WEEIKLDLQHZZON-ZWKOTPCHSA-N 0 0 338.455 3.820 10 30 EHEERN O=C(NCCNC(=O)[C@@H]1CCc2ccccc21)NC1CCCCC1 ZINC000328936391 1022535493 /nfs/dbraw/zinc/53/54/93/1022535493.db2.gz QSHNMPXGKQSHNQ-QGZVFWFLSA-N 0 0 329.444 3.509 10 30 EHEERN C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1 ZINC000328934913 1022706090 /nfs/dbraw/zinc/70/60/90/1022706090.db2.gz FJMBNLKDORREMO-WCQYABFASA-N 0 0 331.416 3.729 10 30 EHEERN C#CCOc1ccc([C@@H](C)N[C@H](c2nnc(C)[nH]2)c2ccccc2)cc1 ZINC000162522984 1023115484 /nfs/dbraw/zinc/11/54/84/1023115484.db2.gz WUSXQTICIMOACF-QRWLVFNGSA-N 0 0 346.434 3.565 10 30 EHEERN Cc1nc([C@@H]2CCCN2C(=O)NCC2C[C@H](C)O[C@@H](C)C2)cs1 ZINC000329802963 1024200400 /nfs/dbraw/zinc/20/04/00/1024200400.db2.gz KVWRXVKFIYLTJO-MKBNYLNASA-N 0 0 337.489 3.706 10 30 EHEERN CC(C)c1nc2n(n1)C[C@H](NC(=O)[C@H]1CCCc3ccccc31)CC2 ZINC000329843993 1024221070 /nfs/dbraw/zinc/22/10/70/1024221070.db2.gz OHHLJBRUFAILST-WBVHZDCISA-N 0 0 338.455 3.793 10 30 EHEERN Cc1ccc(NC(=O)N2C[C@@H]3CCC[C@@H]32)cc1OCC1CCOCC1 ZINC000329920372 1024249743 /nfs/dbraw/zinc/24/97/43/1024249743.db2.gz GYYHFYOZLIDPOR-WMZOPIPTSA-N 0 0 344.455 3.830 10 30 EHEERN CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCc2ccccc21 ZINC000329936679 1024256162 /nfs/dbraw/zinc/25/61/62/1024256162.db2.gz DGKKCZFTVXXYCG-VDZJLULYSA-N 0 0 339.439 3.667 10 30 EHEERN COc1ccccc1[C@@H]1CC[C@@H](C)CN1C(=O)N[C@@H]1CCO[C@@H]1C ZINC000330238755 1024367915 /nfs/dbraw/zinc/36/79/15/1024367915.db2.gz DKWWHQHCOYWMAZ-SRABZTEZSA-N 0 0 332.444 3.560 10 30 EHEERN Cc1c([C@@H](C)Nc2cnn(-c3ncccc3C#N)c2)cccc1[N+](=O)[O-] ZINC000186001163 1024369880 /nfs/dbraw/zinc/36/98/80/1024369880.db2.gz DGRIFRRCOHOXSU-CYBMUJFWSA-N 0 0 348.366 3.529 10 30 EHEERN Cn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000330324516 1024781844 /nfs/dbraw/zinc/78/18/44/1024781844.db2.gz INYDHSBDLYPVFT-YVSFHVDLSA-N 0 0 331.460 3.813 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCc2sccc21 ZINC000329202527 1025664266 /nfs/dbraw/zinc/66/42/66/1025664266.db2.gz WBBKYVDPUKDOOI-RVSPLBMKSA-N 0 0 345.468 3.636 10 30 EHEERN CN(C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1)C1CCCCC1 ZINC000329286738 1025722667 /nfs/dbraw/zinc/72/26/67/1025722667.db2.gz PLDCVRCUEVRVMA-CQSZACIVSA-N 0 0 332.492 3.674 10 30 EHEERN C[C@H](CC1CC1)NC(=O)N1CCC[C@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000329311280 1025745641 /nfs/dbraw/zinc/74/56/41/1025745641.db2.gz GEFYGRXMCXIPDL-CJNGLKHVSA-N 0 0 339.443 3.711 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)C[C@@H]1CCO[C@H](C(C)C)C1)CCC2 ZINC000329326523 1025753571 /nfs/dbraw/zinc/75/35/71/1025753571.db2.gz WSECKOAYRQOVMC-IKGGRYGDSA-N 0 0 333.476 3.867 10 30 EHEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000329043651 1025781113 /nfs/dbraw/zinc/78/11/13/1025781113.db2.gz UFEJCFHVCKYUKC-KLZNWCGWSA-N 0 0 330.432 3.580 10 30 EHEERN O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000329466003 1025883616 /nfs/dbraw/zinc/88/36/16/1025883616.db2.gz VUJMUVRBDXFPRD-XWJBARJFSA-N 0 0 348.512 3.639 10 30 EHEERN CC(C)C[C@H](Nc1cnn(-c2ncccc2C#N)c1)c1ccccn1 ZINC000186016133 1026086110 /nfs/dbraw/zinc/08/61/10/1026086110.db2.gz GABLKUCJGNXBMQ-SFHVURJKSA-N 0 0 332.411 3.733 10 30 EHEERN Cc1ccc2c(c1)OCCC[C@@H]2Nc1cnn(-c2ncccc2C#N)c1 ZINC000186020243 1026118573 /nfs/dbraw/zinc/11/85/73/1026118573.db2.gz ULYUJMKHBCYRCT-SFHVURJKSA-N 0 0 345.406 3.773 10 30 EHEERN N#Cc1cccnc1-n1cc(N[C@H]2CCSc3ccccc32)cn1 ZINC000186022579 1026124642 /nfs/dbraw/zinc/12/46/42/1026124642.db2.gz GVBIDUSZNZGNCK-INIZCTEOSA-N 0 0 333.420 3.788 10 30 EHEERN N#Cc1cccnc1-n1cc(N[C@H](Cc2ccccc2)C2CC2)cn1 ZINC000186026863 1026127612 /nfs/dbraw/zinc/12/76/12/1026127612.db2.gz GNCUXVAGIFLVJA-LJQANCHMSA-N 0 0 329.407 3.572 10 30 EHEERN Cc1cc(NC(=O)N[C@@H]2CCC[C@H]2C#N)cc(C)c1Br ZINC000408367219 1027021990 /nfs/dbraw/zinc/02/19/90/1027021990.db2.gz SFDKMEWSIWCYKY-WCQYABFASA-N 0 0 336.233 3.880 10 30 EHEERN N#C[C@@H]1CCC[C@@H]1NC(=O)N1CC(c2cccc(C(F)(F)F)c2)C1 ZINC000333553200 1027129363 /nfs/dbraw/zinc/12/93/63/1027129363.db2.gz FYFGBKKWFCDEBS-WFASDCNBSA-N 0 0 337.345 3.506 10 30 EHEERN CCCCCCCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000127837763 1027363111 /nfs/dbraw/zinc/36/31/11/1027363111.db2.gz JRRXALOUHMPBGD-UHFFFAOYSA-N 0 0 336.520 3.988 10 30 EHEERN C[C@H](N[C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccc(C#N)s1 ZINC000186641706 1027733618 /nfs/dbraw/zinc/73/36/18/1027733618.db2.gz BGTAXMGEYBUEHN-KPZWWZAWSA-N 0 0 340.427 3.933 10 30 EHEERN C=CCC(CC=C)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000245718624 1029130279 /nfs/dbraw/zinc/13/02/79/1029130279.db2.gz VMGCYISKKDBYBD-ZWKOTPCHSA-N 0 0 334.410 3.595 10 30 EHEERN C=CCc1cc(CN2CCO[C@H](c3ccc(C)o3)C2)cc(OC)c1O ZINC000093864775 1030686710 /nfs/dbraw/zinc/68/67/10/1030686710.db2.gz YDUAJBUPUHMPGL-IBGZPJMESA-N 0 0 343.423 3.604 10 30 EHEERN C#Cc1cccc(NC(=O)N2CCC(Nc3ccccc3F)CC2)c1 ZINC000174784338 1031252907 /nfs/dbraw/zinc/25/29/07/1031252907.db2.gz MRXCJJPIPVNUNV-UHFFFAOYSA-N 0 0 337.398 3.915 10 30 EHEERN N#CCSc1cccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c1 ZINC000176571115 1031462256 /nfs/dbraw/zinc/46/22/56/1031462256.db2.gz UFVUHSGFBWQYFU-UHFFFAOYSA-N 0 0 347.443 3.982 10 30 EHEERN CNc1cc(N2CCC[C@@H]2CNC(=O)C[C@@H]2CCC[C@H](C)C2)ncn1 ZINC000329637461 1031529151 /nfs/dbraw/zinc/52/91/51/1031529151.db2.gz AGPJGIZFKHMATJ-ARFHVFGLSA-N 0 0 345.491 3.660 10 30 EHEERN O=C(Nc1ccc2c(c1)OCCO2)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000329727877 1031988194 /nfs/dbraw/zinc/98/81/94/1031988194.db2.gz OXYVDQMGYFTYFT-FOIQADDNSA-N 0 0 337.375 3.786 10 30 EHEERN O=C(NC[C@@H]1CCCC[C@@H]1C(F)(F)F)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000329919737 1034766724 /nfs/dbraw/zinc/76/67/24/1034766724.db2.gz DLXXONOZOLRUPI-LXFSFDBISA-N 0 0 348.409 3.816 10 30 EHEERN O=C(NC[C@@H]1CCCCC(F)(F)C1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330197766 1038554413 /nfs/dbraw/zinc/55/44/13/1038554413.db2.gz SFVKVOPCIPAROL-HLLBOEOZSA-N 0 0 344.446 3.743 10 30 EHEERN CC(C)c1ccc2c(c1)[C@@H](NC(=O)N1CC[C@H](O)C[C@@H]1C)CCC2 ZINC000330211968 1038736054 /nfs/dbraw/zinc/73/60/54/1038736054.db2.gz JSIDGQDYCLCOFK-FNHZYXHNSA-N 0 0 330.472 3.947 10 30 EHEERN C[C@H]1CC[C@H](C)N1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000150950428 1039592184 /nfs/dbraw/zinc/59/21/84/1039592184.db2.gz BGELCFZAWZRKDV-QEFXCSQDSA-N 0 0 341.455 3.831 10 30 EHEERN N#Cc1cccc(C(=O)N2CCC[C@@H](c3cc(F)ccc3F)C2)c1 ZINC000190268863 1042193726 /nfs/dbraw/zinc/19/37/26/1042193726.db2.gz PRABJCIOWPYZRF-OAHLLOKOSA-N 0 0 326.346 3.856 10 30 EHEERN C[C@@H]1[C@@H](C)CCN1C(=O)NC1CCC(Oc2ccccc2C#N)CC1 ZINC000408339809 1043338940 /nfs/dbraw/zinc/33/89/40/1043338940.db2.gz MFFVUNXWZOROHZ-WPAPPDIDSA-N 0 0 341.455 3.688 10 30 EHEERN C=C(Br)CNC(=O)N(Cc1ccco1)C1CCCC1 ZINC000105196554 1135917674 /nfs/dbraw/zinc/91/76/74/1135917674.db2.gz PCDUDJKOCGRAKV-UHFFFAOYSA-N 0 0 327.222 3.642 10 30 EHEERN C#CC[C@@H](OC(=O)CCCOc1ccc(F)cc1F)c1ccccn1 ZINC000105549729 1135953032 /nfs/dbraw/zinc/95/30/32/1135953032.db2.gz GXJQZMSNECBIIW-GOSISDBHSA-N 0 0 345.345 3.827 10 30 EHEERN CN(C[C@H]1CCCO1)C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 ZINC000103194445 1137875419 /nfs/dbraw/zinc/87/54/19/1137875419.db2.gz QFWWDUVLFKPXSY-LJQANCHMSA-N 0 0 336.391 3.602 10 30 EHEERN CC(C)CCN(CCC#N)C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000103440246 1137876388 /nfs/dbraw/zinc/87/63/88/1137876388.db2.gz BFKGPZIGYKQAFI-QAPCUYQASA-N 0 0 341.455 3.683 10 30 EHEERN N#CCCCN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000053141342 214166232 /nfs/dbraw/zinc/16/62/32/214166232.db2.gz QXMLISGIIWZCGN-UHFFFAOYSA-N 0 0 346.784 3.570 10 30 EHEERN C=CCNC(=O)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 ZINC000040180301 213280726 /nfs/dbraw/zinc/28/07/26/213280726.db2.gz DGSJUKIYAQOTOL-UHFFFAOYSA-N 0 0 338.798 3.504 10 30 EHEERN Cc1ccc(NN=C(Br)C(=O)Nc2ccccc2)cc1 ZINC000022130355 212278307 /nfs/dbraw/zinc/27/83/07/212278307.db2.gz FNXSOEGNOATNRX-XMHGGMMESA-N 0 0 332.201 3.754 10 30 EHEERN C/C(=N\O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000019505025 212034584 /nfs/dbraw/zinc/03/45/84/212034584.db2.gz SJQCKUJGZGVIBK-VCHYOVAHSA-N 0 0 333.185 3.900 10 30 EHEERN Cn1nccc1C(=O)/C=C\c1ccc(COc2ccc3c(c2)CCC3)o1 ZINC000033523074 527592355 /nfs/dbraw/zinc/59/23/55/527592355.db2.gz KVZRSCHATKQMGA-KTKRTIGZSA-N 0 0 348.402 3.977 10 30 EHEERN COc1ccc(-c2csc(/N=C3/C(=O)Nc4ccccc43)n2)cc1 ZINC000003132044 563474108 /nfs/dbraw/zinc/47/41/08/563474108.db2.gz SQNVHOXIMKEOAD-UHFFFAOYSA-N 0 0 335.388 3.892 10 30 EHEERN Cc1cc(-c2ncccc2NC(=O)N[C@@H]2CCC[C@H]2C#N)cs1 ZINC000333725175 564060099 /nfs/dbraw/zinc/06/00/99/564060099.db2.gz OPPOYGUHYMEFEG-GXTWGEPZSA-N 0 0 326.425 3.932 10 30 EHEERN COc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCOC2(CCCC2)C1 ZINC000330121881 1017943046 /nfs/dbraw/zinc/94/30/46/1017943046.db2.gz HCQIULFDUYQVLT-SFHVURJKSA-N 0 0 344.455 3.632 10 30 EHEERN COc1ccc(O)cc1C(=O)/C=C\c1ccc(Oc2cnccn2)cc1 ZINC000588409710 1020836339 /nfs/dbraw/zinc/83/63/39/1020836339.db2.gz QZYYKBHXBMFAGW-YWEYNIOJSA-N 0 0 348.358 3.879 10 30 EHEERN C[C@@H](C(=O)Nc1cccc(Cl)c1)N1CCC[C@@H](n2cccn2)C1 ZINC000328726478 1022488498 /nfs/dbraw/zinc/48/84/98/1022488498.db2.gz ZQOLYIAFTLNYSN-XJKSGUPXSA-N 0 0 332.835 3.850 10 30 EHEERN Cc1cccc([C@H](C)NC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC2)c1C ZINC000328859834 1022519575 /nfs/dbraw/zinc/51/95/75/1022519575.db2.gz DWUKHUDJPUWVFG-XCRHUMRWSA-N 0 0 329.444 3.766 10 30 EHEERN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000328967078 1022556506 /nfs/dbraw/zinc/55/65/06/1022556506.db2.gz NFKNDFDSMZDETA-MZBWOGCUSA-N 0 0 331.460 3.813 10 30 EHEERN C[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1nccn1C)c1ccc(Cl)s1 ZINC000328969709 1022974256 /nfs/dbraw/zinc/97/42/56/1022974256.db2.gz UMRVJYJDMKVCSO-GIPNMCIBSA-N 0 0 339.848 3.930 10 30 EHEERN CC(=NOCc1cc(-c2cnn(C)c2)no1)c1cc2ccccc2o1 ZINC000588482990 1023913565 /nfs/dbraw/zinc/91/35/65/1023913565.db2.gz AJKIKLAEXNHPCR-UHFFFAOYSA-N 0 0 336.351 3.762 10 30 EHEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)c1cccc3cc[nH]c31)C2 ZINC000329697877 1024084535 /nfs/dbraw/zinc/08/45/35/1024084535.db2.gz CMFOFMOFCLVNQY-CQSZACIVSA-N 0 0 336.439 3.982 10 30 EHEERN Cn1cc(C2CCN(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@H]4C3)CC2)cn1 ZINC000329856463 1024225934 /nfs/dbraw/zinc/22/59/34/1024225934.db2.gz UUUSTGXOVUQOPQ-VDZJLULYSA-N 0 0 344.503 3.872 10 30 EHEERN C[C@H]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCCC2)c2ccccc21 ZINC000329495057 1025923993 /nfs/dbraw/zinc/92/39/93/1025923993.db2.gz FNFWZUGYPZICTE-WMLDXEAASA-N 0 0 332.469 3.628 10 30 EHEERN C[C@H](NCc1nnc(-c2ccccc2)s1)c1ccc(C#N)s1 ZINC000183340658 1027624955 /nfs/dbraw/zinc/62/49/55/1027624955.db2.gz RYJRCGBGZDNYMZ-NSHDSACASA-N 0 0 326.450 3.989 10 30 EHEERN C=CCNC(=O)N(C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000105063972 1027674323 /nfs/dbraw/zinc/67/43/23/1027674323.db2.gz PLPWZONSMQJPIW-UHFFFAOYSA-N 0 0 344.434 3.756 10 30 EHEERN C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329256681 1030136098 /nfs/dbraw/zinc/13/60/98/1030136098.db2.gz DSLQAUXCSHTXDL-RBSFLKMASA-N 0 0 332.492 3.578 10 30 EHEERN CNC(=O)[C@@H]1CCCN1C(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000329276897 1030230076 /nfs/dbraw/zinc/23/00/76/1030230076.db2.gz KNOQZOWOTKSSCD-SJORKVTESA-N 0 0 345.418 3.726 10 30 EHEERN C[C@@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)c1cncc(F)c1 ZINC000329336146 1030444863 /nfs/dbraw/zinc/44/48/63/1030444863.db2.gz OZVUPMKRDQLQRR-XUXNNNHQSA-N 0 0 331.435 3.797 10 30 EHEERN O=C(/C=C\c1cocn1)c1ccc(OCC(=O)Nc2ccccc2)cc1 ZINC000588581066 1030494764 /nfs/dbraw/zinc/49/47/64/1030494764.db2.gz ATEBXBQYBNAAMS-FLIBITNWSA-N 0 0 348.358 3.588 10 30 EHEERN O=C(N[C@@H]1CCC[C@H]1c1ccccc1)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000329718527 1031945446 /nfs/dbraw/zinc/94/54/46/1031945446.db2.gz YXNAYGQBTNVXTH-BSDSXHPESA-N 0 0 341.455 3.820 10 30 EHEERN C#CCOc1ccc([C@@H](C)Nc2ccc3c(c2)CN(C)C(=O)N3)cc1 ZINC000186538256 1035657218 /nfs/dbraw/zinc/65/72/18/1035657218.db2.gz GSDWQTISFRPNMK-CQSZACIVSA-N 0 0 335.407 3.849 10 30 EHEERN C=CCOc1ccccc1C(=O)N1CC2(CCOCC2)c2ccccc21 ZINC000189836376 1036153408 /nfs/dbraw/zinc/15/34/08/1036153408.db2.gz MDPIYHFSGGRRJC-UHFFFAOYSA-N 0 0 349.430 3.960 10 30 EHEERN COc1ccc([C@@H](C)NC(=O)CSc2ccc(C#N)cc2)cc1F ZINC000102979369 1036781076 /nfs/dbraw/zinc/78/10/76/1036781076.db2.gz MCQYDDSDQRUXDG-GFCCVEGCSA-N 0 0 344.411 3.675 10 30 EHEERN Cc1cccc2[nH]cc(CCNC(=O)N(C)Cc3ccc(C#N)cc3)c21 ZINC000103317376 1036960851 /nfs/dbraw/zinc/96/08/51/1036960851.db2.gz PSUAOGOOORWNHP-UHFFFAOYSA-N 0 0 346.434 3.732 10 30 EHEERN N#C[C@@H]1CCC[C@H]1NC(=O)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000332975218 1040611303 /nfs/dbraw/zinc/61/13/03/1040611303.db2.gz FYNADPGFZKEPHV-VBNZEHGJSA-N 0 0 349.887 3.908 10 30 EHEERN Cc1cc(OCc2nnc(-c3ccccc3Cl)o2)c(C#N)c(C)n1 ZINC000150889379 1044100541 /nfs/dbraw/zinc/10/05/41/1044100541.db2.gz FHTZXKMFHGNSGA-UHFFFAOYSA-N 0 0 340.770 3.853 10 30 EHEERN CC(=O)N1CC[C@H](Nc2ccc(F)cc2C#N)c2ccc(F)cc2C1 ZINC000302197127 1128625661 /nfs/dbraw/zinc/62/56/61/1128625661.db2.gz PEYFEWLYUQDNMC-IBGZPJMESA-N 0 0 341.361 3.742 10 30 EHEERN C#Cc1cccc(N(CC)C(=O)c2ccc(NC(=O)[C@@H]3C[C@H]3C)cc2)c1 ZINC000103027640 1132608554 /nfs/dbraw/zinc/60/85/54/1132608554.db2.gz YDPFORXEOHGIHX-FOIQADDNSA-N 0 0 346.430 3.929 10 30 EHEERN N#C[C@@H](C(=O)Nc1ccccc1)C(=O)c1ccc(-n2cccc2)c(F)c1 ZINC000103798688 1133202476 /nfs/dbraw/zinc/20/24/76/1133202476.db2.gz CGGALAJTCARUTD-MRXNPFEDSA-N 0 0 347.349 3.578 10 30 EHEERN COc1ccc(/N=C2\S/C(=C/c3cccs3)C(=O)N2C)cc1 ZINC000100347023 219097923 /nfs/dbraw/zinc/09/79/23/219097923.db2.gz XRPAHCWBAAMDSV-CRPPYINASA-N 0 0 330.434 3.991 10 30 EHEERN CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@]12CC[C@]1(COC(=O)C1)O2 ZINC000252506444 291000098 /nfs/dbraw/zinc/00/00/98/291000098.db2.gz SXOVHHHRXOYVGV-GTAWCEEGSA-N 0 0 332.440 3.583 10 30 biogenic EHEERN COc1ccccc1/C=C1\S/C(=N\c2ccc(C)cc2O)NC1=O ZINC000016904617 211939799 /nfs/dbraw/zinc/93/97/99/211939799.db2.gz ZDKIBEGSQFGXME-YBEGLDIGSA-N 0 0 340.404 3.601 10 30 EHEERN Oc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)c(O)c1O ZINC000004965297 526339276 /nfs/dbraw/zinc/33/92/76/526339276.db2.gz CUQSMROVLCUQPQ-FYJGNVAPSA-N 0 0 334.375 3.844 10 30 EHEERN CC1=CC(=O)C[C@H]2[C@@]1(C)CC[C@@H](C)[C@]2(C)CCC1=CC(=O)OC1O ZINC000238745553 564104307 /nfs/dbraw/zinc/10/43/07/564104307.db2.gz UVNWQSVZIUIVBI-ZBTYEMKPSA-N 0 0 332.440 3.546 10 30 biogenic EHEERN C[C@@H](NC(=O)[C@H]1C[C@@]12CC(C)(C)Oc1ccccc12)c1cnn(C)c1 ZINC000328605777 564136886 /nfs/dbraw/zinc/13/68/86/564136886.db2.gz PBWMURSDIMBFIZ-AUJRIZCKSA-N 0 0 339.439 3.957 10 30 EHEERN Cn1c(=O)sc2cc(/C=C3\Cc4ccc(F)cc4C3=O)ccc21 ZINC000588598462 1032449457 /nfs/dbraw/zinc/44/94/57/1032449457.db2.gz MYEDOTGKSDCIQX-WUXMJOGZSA-N 0 0 325.364 3.562 10 30 EHEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(Br)c(C2CC2)n1 ZINC000333523535 1019858369 /nfs/dbraw/zinc/85/83/69/1019858369.db2.gz OKBZHWLUPYIXIK-PWSUYJOCSA-N 0 0 349.232 3.535 10 30 EHEERN C[C@@H]1Cc2ccccc2N1CCNC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328634486 1022450911 /nfs/dbraw/zinc/45/09/11/1022450911.db2.gz BOBNOIJCYHAWMX-GDBMZVCRSA-N 0 0 329.444 3.683 10 30 EHEERN C[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)[C@@H]1C ZINC000328718863 1022461953 /nfs/dbraw/zinc/46/19/53/1022461953.db2.gz PZXGJUWTJKNHCB-UDCKQINGSA-N 0 0 331.460 3.630 10 30 EHEERN Cc1ccc(NC(=O)[C@@H](C)N2CCC[C@@H](n3cccn3)C2)c(F)c1 ZINC000328681650 1022466415 /nfs/dbraw/zinc/46/64/15/1022466415.db2.gz CPHCNUTWSJBNOT-HUUCEWRRSA-N 0 0 330.407 3.644 10 30 EHEERN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@H](C(C)C)CC1)CCC2 ZINC000328728001 1022487831 /nfs/dbraw/zinc/48/78/31/1022487831.db2.gz VJYMZXKCCVTGNL-IRXDYDNUSA-N 0 0 332.492 3.741 10 30 EHEERN C[C@@H]1Cc2ccccc2N1CCNC(=O)C[C@H]1CCCCNC1=O ZINC000328779789 1022498438 /nfs/dbraw/zinc/49/84/38/1022498438.db2.gz MFHDJMJFRXQGKD-GDBMZVCRSA-N 0 0 329.444 3.541 10 30 EHEERN C[C@H](NC(=O)N[C@@H]1CCO[C@@H]1C1CC1)c1c(F)cccc1Cl ZINC000328876845 1022524834 /nfs/dbraw/zinc/52/48/34/1022524834.db2.gz IDMLHYOQVQZXEC-JBCWJZNQSA-N 0 0 326.799 3.611 10 30 EHEERN Cc1csc([C@H]2CCCN(C(=O)CNC(=O)CC3CCCC3)C2)n1 ZINC000329747359 1024172771 /nfs/dbraw/zinc/17/27/71/1024172771.db2.gz SIEWKWGUTNGTNT-HNNXBMFYSA-N 0 0 349.500 3.694 10 30 EHEERN Cn1cc(C2CCN(C(=O)N[C@@H]3CC[C@@H]4CCCC[C@@H]4C3)CC2)cn1 ZINC000329856462 1024224596 /nfs/dbraw/zinc/22/45/96/1024224596.db2.gz UUUSTGXOVUQOPQ-KVSKMBFKSA-N 0 0 344.503 3.872 10 30 EHEERN O=C(N[C@H]1CCCc2ccccc21)c1coc(C2CCOCC2)n1 ZINC000329972433 1024272037 /nfs/dbraw/zinc/27/20/37/1024272037.db2.gz ZATQWMMUBYNMCT-INIZCTEOSA-N 0 0 326.396 3.951 10 30 EHEERN CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000119469888 1024288009 /nfs/dbraw/zinc/28/80/09/1024288009.db2.gz MPGXVNKVXITNKX-AEFFLSMTSA-N 0 0 326.440 3.897 10 30 EHEERN COc1ccc([C@@H](C)[C@H](C)Nc2cnn(-c3ncccc3C#N)c2)cc1 ZINC000186003494 1024524648 /nfs/dbraw/zinc/52/46/48/1024524648.db2.gz MAKUIEGUHPNGKR-GJZGRUSLSA-N 0 0 347.422 3.752 10 30 EHEERN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCCS1 ZINC000329003156 1025566162 /nfs/dbraw/zinc/56/61/62/1025566162.db2.gz XZKMMIHKSXQIJT-SQWLQELKSA-N 0 0 337.489 3.784 10 30 EHEERN Cn1nccc1N1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]23)C1 ZINC000329080961 1025591828 /nfs/dbraw/zinc/59/18/28/1025591828.db2.gz CXGNHJRRJRQHBE-WNRNVDISSA-N 0 0 344.503 3.952 10 30 EHEERN C[C@H](NC(=O)N[C@@H]1CC(C)(C)Oc2ccccc21)[C@H]1CCCOC1 ZINC000329248934 1025694084 /nfs/dbraw/zinc/69/40/84/1025694084.db2.gz ANPAUEVZNMGGAC-OFQRWUPVSA-N 0 0 332.444 3.608 10 30 EHEERN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1C[C@H]1C1CCCCC1 ZINC000329334554 1025760541 /nfs/dbraw/zinc/76/05/41/1025760541.db2.gz KUCVARGMEVCFTA-UIBIWLFHSA-N 0 0 331.460 3.671 10 30 EHEERN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)N1CC[C@H](c2ccccc2)C1 ZINC000329435525 1025844336 /nfs/dbraw/zinc/84/43/36/1025844336.db2.gz JCHJBPJNVMISFQ-LZLYRXPVSA-N 0 0 343.471 3.924 10 30 EHEERN Cn1cc(C2CCN(C(=O)Nc3nc(C(C)(C)C)cs3)CC2)cn1 ZINC000329451184 1025866931 /nfs/dbraw/zinc/86/69/31/1025866931.db2.gz OXHCJESNGAHIGV-UHFFFAOYSA-N 0 0 347.488 3.599 10 30 EHEERN C[C@@H]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCCC2)c2ccccc21 ZINC000329495056 1025922380 /nfs/dbraw/zinc/92/23/80/1025922380.db2.gz FNFWZUGYPZICTE-RHSMWYFYSA-N 0 0 332.469 3.628 10 30 EHEERN CC(C)[C@@H]1CCCC[C@@H]1NC(=O)N1CCO[C@@H](c2nccs2)C1 ZINC000329497581 1025925557 /nfs/dbraw/zinc/92/55/57/1025925557.db2.gz XOVQOAGVZCFNBO-SOUVJXGZSA-N 0 0 337.489 3.645 10 30 EHEERN N#Cc1cccnc1-n1cc(N[C@H]2CCCOc3ccc(F)cc32)cn1 ZINC000186012436 1025939217 /nfs/dbraw/zinc/93/92/17/1025939217.db2.gz JHDCGQAAFAGGMQ-KRWDZBQOSA-N 0 0 349.369 3.604 10 30 EHEERN CC[C@H](NC(=O)CC[C@@H]1CN(C(C)=O)c2ccccc21)[C@@H]1CCCO1 ZINC000329610351 1026074486 /nfs/dbraw/zinc/07/44/86/1026074486.db2.gz JIHHIILIUYBAQZ-AYBZRNKSSA-N 0 0 344.455 3.831 10 30 EHEERN C[C@@H](Nc1cnn(-c2ncccc2C#N)c1)c1cc(Cl)ccc1O ZINC000186021733 1026125178 /nfs/dbraw/zinc/12/51/78/1026125178.db2.gz VYWGGJJATYTZHS-LLVKDONJSA-N 0 0 339.786 3.671 10 30 EHEERN CCCCCCCC(=O)N[C@@H](c1nccn1C)c1ccc(OC)cc1 ZINC000248299150 1028864436 /nfs/dbraw/zinc/86/44/36/1028864436.db2.gz ZEURQMBBLVTYEC-LJQANCHMSA-N 0 0 343.471 3.995 10 30 EHEERN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)NC1(C)CCCCC1)C2 ZINC000329339345 1030470207 /nfs/dbraw/zinc/47/02/07/1030470207.db2.gz QYRUHWSGOLRWRP-CQSZACIVSA-N 0 0 332.492 3.722 10 30 EHEERN CCn1nc(C)c(NC(=O)[C@@H]2C[C@@]23CCOc2ccccc23)c1C ZINC000329610041 1031345469 /nfs/dbraw/zinc/34/54/69/1031345469.db2.gz CZFXXGXKRWQOLQ-HNAYVOBHSA-N 0 0 325.412 3.848 10 30 EHEERN COc1cccc(C(=O)/C=C\c2ccc3c(c2)sc(=O)n3C)c1 ZINC000588590200 1031996433 /nfs/dbraw/zinc/99/64/33/1031996433.db2.gz HRNQIGYCTROHAB-CLFYSBASSA-N 0 0 325.389 3.505 10 30 EHEERN CCOc1ccccc1[C@H](CC(=O)N1CC[C@@H]2CCC[C@H]21)NC(C)=O ZINC000330265967 1042749606 /nfs/dbraw/zinc/74/96/06/1042749606.db2.gz ZYSREZDOTMJLSG-RYQLBKOJSA-N 0 0 344.455 3.894 10 30 EHEERN CN(Cc1ccc(Cl)cc1)C(=O)NCc1ccc(C#N)cc1F ZINC000105722608 1128471548 /nfs/dbraw/zinc/47/15/48/1128471548.db2.gz WYLKBMLWXDXDRE-UHFFFAOYSA-N 0 0 331.778 3.692 10 30 EHEERN C#Cc1cccc(N(CC)C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]3C)cc2)c1 ZINC000103027636 1132608672 /nfs/dbraw/zinc/60/86/72/1132608672.db2.gz YDPFORXEOHGIHX-MGPUTAFESA-N 0 0 346.430 3.929 10 30 EHEERN N#CC1(NC(=O)CSCc2coc(-c3ccccc3)n2)CCCC1 ZINC000104524883 1137878714 /nfs/dbraw/zinc/87/87/14/1137878714.db2.gz MWYCZYFQFOCCKP-UHFFFAOYSA-N 0 0 341.436 3.527 10 30 EHEERN N#C[C@]1(c2nc(C3(c4ccccc4)CCOCC3)no2)CC12CCCC2 ZINC000333855670 1138339057 /nfs/dbraw/zinc/33/90/57/1138339057.db2.gz QJILJCFLDQEUEP-NRFANRHFSA-N 0 0 349.434 3.892 10 30 EHEERN COc1ccc(C2N=NC(=S)N2N=CC(C)=Cc2ccco2)cc1 ZINC000004680500 210246591 /nfs/dbraw/zinc/24/65/91/210246591.db2.gz PGXUZOOVLIUXMA-PYAUPWOWSA-N 0 0 340.408 3.773 10 30 EHEERN C=CCN1c2cc(C)ccc2N=C(c2ccc([N+](=O)[O-])cc2)CC1=O ZINC000100898274 219111070 /nfs/dbraw/zinc/11/10/70/219111070.db2.gz OYEMEQKXABRHOE-UHFFFAOYSA-N 0 0 335.363 3.947 10 30 EHEERN O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)F ZINC000103542676 219313435 /nfs/dbraw/zinc/31/34/35/219313435.db2.gz PEVZHPTYFYJHCI-UHFFFAOYSA-N 0 0 342.104 3.653 10 30 EHEERN CCc1cccc(/N=C2\c3cccc([N+](=O)[O-])c3C(=O)[C@H]2C(C)=O)c1 ZINC000103602203 219316225 /nfs/dbraw/zinc/31/62/25/219316225.db2.gz QLWFMGYWYMMMSM-RJCBAWPRSA-N 0 0 336.347 3.680 10 30 EHEERN CCc1cccc(/N=C2\c3cccc([N+](=O)[O-])c3C(=O)[C@@H]2C(C)=O)c1 ZINC000103602198 219316230 /nfs/dbraw/zinc/31/62/30/219316230.db2.gz QLWFMGYWYMMMSM-IGGDJGDASA-N 0 0 336.347 3.680 10 30 EHEERN Cc1c(Cl)ccc2c(O)c(C(=O)Nc3ccc(C#N)cc3)cnc12 ZINC000040359408 213293646 /nfs/dbraw/zinc/29/36/46/213293646.db2.gz VCHIFAYVTVQEIR-UHFFFAOYSA-N 0 0 337.766 3.614 10 30 EHEERN CCO/C=C(\C(=O)OCC)C(=O)c1cc(F)c(Cl)cc1Cl ZINC000022008693 212270182 /nfs/dbraw/zinc/27/01/82/212270182.db2.gz LYOAKSDOTROZEF-CLFYSBASSA-N 0 0 335.158 3.799 10 30 EHEERN C/C(=N\O)c1cccc(NC(=O)c2cccc(Br)c2)c1 ZINC000019482676 212032883 /nfs/dbraw/zinc/03/28/83/212032883.db2.gz LXEYAVLGWQCJDC-VCHYOVAHSA-N 0 0 333.185 3.900 10 30 EHEERN C/C(=N\O)c1ccc(NC(=O)c2ccc(Br)s2)cc1 ZINC000019439152 212028277 /nfs/dbraw/zinc/02/82/77/212028277.db2.gz HODSQFXQQHZSSV-LZYBPNLTSA-N 0 0 339.214 3.961 10 30 EHEERN C=CCN(Cc1ccccc1Cl)C(=O)c1ccc(CN(C)C)o1 ZINC000055060805 258015092 /nfs/dbraw/zinc/01/50/92/258015092.db2.gz FPZKSQSXDVBBKQ-UHFFFAOYSA-N 0 0 332.831 3.823 10 30 EHEERN C/C(=N\OCC(=O)Nc1nc2ccccc2s1)c1ccc(C)cc1 ZINC000000527740 518471021 /nfs/dbraw/zinc/47/10/21/518471021.db2.gz JOUCCWURMZHYRH-FYJGNVAPSA-N 0 0 339.420 3.984 10 30 EHEERN CCN(CC)c1ccc(CN=NC(=S)NCc2ccccc2)cc1 ZINC000033306323 520886139 /nfs/dbraw/zinc/88/61/39/520886139.db2.gz GEMVZPHXNBBWMU-QNGOZBTKSA-N 0 0 340.496 3.942 10 30 EHEERN S=C(N/N=C/c1c(Cl)cccc1Cl)N[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC000000172041 563251567 /nfs/dbraw/zinc/25/15/67/563251567.db2.gz ZWGSOQFBFQKSPZ-MBWZAQGYSA-N 0 0 340.279 3.756 10 30 EHEERN CN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1F ZINC000100259454 563982443 /nfs/dbraw/zinc/98/24/43/563982443.db2.gz TWKFFRBNVTZGKV-VZHUHSAUSA-N 0 0 345.757 3.531 10 30 EHEERN